| 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 | 92.9 | Very high | 98.2 | Very high | 29 Ų | 29 | 19.3 Ų | 19.3 | 14% | 0.143 | 10% | 0.1 | C | C | . | . | 0 | 129.3 | 0 | -77.1 | -64.5 | 148.4 | 0 | 0 | 109.5 | V3 L27 P29 L30 D31 D176 F330 L334 K337 L339 | M1-V3 HydrophobicContact CB-CG2 4.34Å; M1-L27 HydrophobicContact CB-CD2 3.78Å; M1-L27 HydrophobicContact CG-CD2 3.72Å; M1-P29 PolarHBondContact N-O 3.28Å; M1-L30 HydrophobicContact CB-CD1 4.36Å; M1-D31 PolarHBondContact O-N 3Å; M1-D176 VanDerWaalsContact CA-OD2 3.29Å; M1-D176 WeakPolarHBondContact CA-OD2 3.43Å; M1-D176 HydrophobicContact SD-CB 3.43Å; M1-D176 WeakPolarHBondContact SD-CB 3.41Å; M1-F330 HydrophobicContact CB-CZ 4.22Å; M1-F330 HydrophobicContact CG-CZ 4.4Å; M1-L334 HydrophobicContact CG-CD2 3.72Å; M1-K337 HydrophobicContact CE-CD 3.83Å; M1-L339 HydrophobicContact CE-CD1 3.03Å; M1-L339 HydrophobicContact CE-CG 4.5Å | |||
| 2 | R | 97.5 | Very high | 98.3 | Very high | 116 Ų | 116 | 17.7 Ų | 17.7 | 44% | 0.438 | 9% | 0.091 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 112.3 | 168.4 | -68.5 | 170.7 | -69.7 | 171.2 | 8.8 | 108 | D31 G174 D176 V177 | R2-D31 CarbonylContact C-O 3.56Å; R2-D31 WeakPolarHBondContact CA-O 3.48Å; R2-D31 HydrophobicContact CG-CB 4.31Å; R2-G174 WeakPolarHBondContact CD-O 3.42Å; R2-G174 PolarHBondContact NE-O 3.42Å; R2-G174 PolarHBondContact NH1-O 3.37Å; R2-G174 PolarHBondContact NH2-O 3.32Å; R2-D176 IonicContact CZ-OD1 3.87Å; R2-D176 PolarHBondContact N-OD2 2.93Å; R2-D176 IonicContact NE-OD1 2.83Å; R2-D176 IonicContact NE-OD2 3.22Å; R2-D176 IonicContact NH2-OD1 2.72Å; R2-D176 PolarHBondContact NH2-OD1 2.87Å; R2-D176 PolarHBondContact O-N 2.99Å; R2-V177 PolarHBondContact O-N 2.91Å |
| 3 | V | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 126.1 | -178 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | M1 V5 L30 D31 I32 K33 V177 V179 F330 | M1-V3 HydrophobicContact CB-CG2 4.34Å; V3-V5 HydrophobicContact CG1-CG2 4.35Å; V3-L30 HydrophobicContact CG2-CD1 3.96Å; V3-D31 PolarHBondContact N-O 2.85Å; V3-I32 HydrophobicContact CB-CG1 4.18Å; V3-I32 WeakPolarHBondContact O-CA 3.44Å; V3-K33 PolarHBondContact O-N 3.18Å; V3-V177 WeakPolarHBondContact CA-O 3.43Å; V3-V177 HydrophobicContact CG2-CB 4.45Å; V3-V179 HydrophobicContact CG1-CG2 3.91Å; V3-F330 HydrophobicContact CG2-CE2 3.53Å; V3-F330 HydrophobicContact CG2-CZ 3.84Å |
| 4 | V | 98.9 | Very high | 98.4 | Very high | 8 Ų | 8 | 15.2 Ų | 15.2 | 5% | 0.048 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 114.7 | 172.2 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | I6 K33 Y35 V170 A175 V177 I178 V179 | V4-I6 HydrophobicContact CG1-CG1 4.19Å; V4-K33 WeakPolarHBondContact CA-O 3.33Å; V4-Y35 HydrophobicContact CG1-CD1 4.26Å; V4-Y35 HydrophobicContact CG1-CD2 3.5Å; V4-Y35 HydrophobicContact CG1-CE2 3.81Å; V4-Y35 HydrophobicContact CG1-CG 3.76Å; V4-Y35 HydrophobicContact CG2-CE2 4.46Å; V4-V170 HydrophobicContact CB-CG1 3.69Å; V4-V170 HydrophobicContact CG1-CG1 3.68Å; V4-V170 HydrophobicContact CG2-CG1 3.84Å; V4-A175 HydrophobicContact CB-CB 4.29Å; V4-A175 HydrophobicContact CG2-CB 3.82Å; V4-V177 PolarHBondContact N-O 2.77Å; V4-I178 CarbonylContact O-C 3.08Å; V4-I178 WeakPolarHBondContact O-CA 3.39Å; V4-V179 PolarHBondContact O-N 2.76Å |
| 5 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.9 | 171.6 | -175 | 0 | 0 | 0 | 0 | 108.3 | V3 A16 I32 K33 V34 Y35 V179 | V3-V5 HydrophobicContact CG1-CG2 4.35Å; V5-A16 HydrophobicContact CG2-CB 3.93Å; V5-I32 HydrophobicContact CG2-CG2 4.25Å; V5-K33 PolarHBondContact N-O 3.22Å; V5-V34 HydrophobicContact CB-CG2 4.37Å; V5-V34 CarbonylContact O-C 3.01Å; V5-V34 WeakPolarHBondContact O-CA 3.43Å; V5-Y35 PolarHBondContact O-N 2.85Å; V5-V179 WeakPolarHBondContact CA-O 3.41Å; V5-V179 HydrophobicContact CB-CB 4.35Å; V5-V179 HydrophobicContact CG1-CB 4.23Å; V5-V179 HydrophobicContact CG1-CG1 4.48Å; V5-V179 HydrophobicContact CG2-CB 4.02Å; V5-V179 HydrophobicContact CG2-CG2 4.14Å |
| 6 | I | 98.9 | Very high | 98.4 | Very high | 8 Ų | 8 | 13.3 Ų | 13.3 | 4% | 0.041 | 7% | 0.069 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 112.7 | 179.3 | -48.9 | 173 | 0 | 0 | 0 | 108.6 | V4 Y35 V164 F167 V170 I178 V179 C181 T182 L189 | V4-I6 HydrophobicContact CG1-CG1 4.19Å; I6-Y35 CarbonylContact C-O 3.56Å; I6-Y35 VanDerWaalsContact CA-O 3.32Å; I6-Y35 WeakPolarHBondContact CA-O 3.36Å; I6-V164 HydrophobicContact CD1-CB 4.47Å; I6-V164 HydrophobicContact CD1-CG1 4.06Å; I6-V164 HydrophobicContact CD1-CG2 4.3Å; I6-V164 HydrophobicContact CG1-CG2 4.4Å; I6-V164 HydrophobicContact CG2-CB 4.28Å; I6-V164 HydrophobicContact CG2-CG2 3.97Å; I6-F167 HydrophobicContact CD1-CD1 4.13Å; I6-F167 HydrophobicContact CD1-CE1 4.12Å; I6-V170 HydrophobicContact CD1-CG2 4.33Å; I6-I178 HydrophobicContact CD1-CG2 3.52Å; I6-I178 HydrophobicContact CG1-CG2 4.03Å; I6-V179 PolarHBondContact N-O 2.69Å; I6-C181 CarbonylContact O-C 3.54Å; I6-C181 VanDerWaalsContact O-CA 3.23Å; I6-C181 WeakPolarHBondContact O-CA 3.24Å; I6-C181 WeakPolarHBondContact O-CB 3.17Å; I6-C181 PolarHBondContact O-N 3.49Å; I6-T182 HydrophobicContact CB-CG2 4.05Å; I6-T182 HydrophobicContact CG2-CG2 3.46Å; I6-T182 VanDerWaalsContact CG2-CG2 3.46Å; I6-T182 PolarHBondContact O-N 3.31Å; I6-L189 HydrophobicContact CD1-CD1 4.14Å; I6-L189 HydrophobicContact CG2-CD1 4.44Å |
| 7 | G | 98.9 | Very high | 98.5 | Very high | 11 Ų | 11 | 12.5 Ų | 12.5 | 11% | 0.113 | 7% | 0.065 | C | C | . | . | trans | 116.9 | 132.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | G12 Y35 | G7-G12 WeakPolarHBondContact O-CA 3.35Å; G7-Y35 PolarHBondContact N-O 3.43Å | ||
| 8 | A | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 3% | 0.033 | 6% | 0.064 | C | C | . | . | trans | -117.3 | 21.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L13 V34 A36 F39 | A8-L13 HydrophobicContact CB-CD2 4.08Å; A8-V34 HydrophobicContact CB-CG1 4.17Å; A8-A36 HydrophobicContact CB-CB 3.6Å; A8-F39 HydrophobicContact CB-CD1 3.35Å; A8-F39 HydrophobicContact CB-CE1 3.33Å; A8-F39 HydrophobicContact CB-CG 4.24Å; A8-F39 HydrophobicContact CB-CZ 4.23Å | ||
| 9 | G | 98.9 | Very high | 98.5 | Very high | 18 Ų | 18 | 11.6 Ų | 11.6 | 19% | 0.186 | 6% | 0.06 | C | C | . | . | S | Bend | trans | -77.3 | -175.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | I11 G12 L13 | G9-I11 PolarHBondContact O-N 2.94Å; G9-I11 VanDerWaalsContact O-N 3.13Å; G9-G12 PolarHBondContact O-N 3.49Å; G9-G12 VanDerWaalsContact O-N 3.17Å; G9-L13 PolarHBondContact O-N 3.27Å; G9-L13 VanDerWaalsContact O-N 3.11Å |
| 10 | V | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 11.7 Ų | 11.7 | 2% | 0.018 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57.4 | -38.7 | -171.5 | 64.7 | 0 | 0 | 0 | 0 | 112.3 | S14 T45 Y144 L145 L316 H319 | V10-S14 VanDerWaalsContact O-CB 3.23Å; V10-S14 WeakPolarHBondContact O-CB 3.42Å; V10-S14 PolarHBondContact O-N 3.18Å; V10-S14 PolarHBondContact O-OG 3.43Å; V10-T45 HydrophobicContact CB-CG2 3.84Å; V10-T45 HydrophobicContact CG1-CG2 4.29Å; V10-T45 PolarHBondContact N-OG1 2.77Å; V10-T45 VanDerWaalsContact N-OG1 3.14Å; V10-Y144 HydrophobicContact CG2-CD1 3.89Å; V10-Y144 HydrophobicContact CG2-CE1 3.77Å; V10-L145 HydrophobicContact CB-CD2 4.27Å; V10-L316 HydrophobicContact CB-CD2 4.22Å; V10-L316 HydrophobicContact CG1-CD2 4.29Å; V10-L316 HydrophobicContact CG2-CD2 4.05Å; V10-H319 HydrophobicContact CG1-CB 4.25Å; V10-H319 HydrophobicContact CG2-CB 3.76Å |
| 11 | I | 98.9 | Very high | 98.4 | Very high | 15 Ų | 15 | 15.3 Ų | 15.3 | 8% | 0.077 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.1 | -47.5 | -177.6 | -54.5 | -59.4 | 0 | 0 | 0 | 111.4 | G9 S14 T15 C181 N308 H319 | G9-I11 PolarHBondContact O-N 2.94Å; G9-I11 VanDerWaalsContact O-N 3.13Å; I11-S14 PolarHBondContact O-OG 3.3Å; I11-T15 WeakPolarHBondContact O-CB 3.47Å; I11-T15 PolarHBondContact O-N 3.17Å; I11-T15 PolarHBondContact O-OG1 3.13Å; I11-C181 HydrophobicContact CB-CB 4.47Å; I11-C181 HydrophobicContact CG2-CB 4.17Å; I11-N308 HydrophobicContact CG2-CB 4.08Å; I11-N308 VanDerWaalsContact CG2-CG 3.41Å; I11-N308 WeakPolarHBondContact CG2-ND2 3.44Å; I11-N308 WeakPolarHBondContact CG2-O 3.41Å; I11-H319 HydrophobicContact CD1-CB 3.83Å |
| 12 | G | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.7 | -47.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G7 G9 T15 A16 C181 | G7-G12 WeakPolarHBondContact O-CA 3.35Å; G9-G12 PolarHBondContact O-N 3.49Å; G9-G12 VanDerWaalsContact O-N 3.17Å; G12-T15 PolarHBondContact O-N 3.32Å; G12-A16 WeakPolarHBondContact O-CB 3.4Å; G12-A16 PolarHBondContact O-N 3.41Å; G12-C181 VanDerWaalsContact CA-CB 3.49Å |
| 13 | L | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -67.9 | -43 | -178.1 | -60.8 | -168.9 | 0 | 0 | 0 | 112.7 | A8 G9 A16 L17 V34 L145 L148 T149 L152 F159 | A8-L13 HydrophobicContact CB-CD2 4.08Å; G9-L13 PolarHBondContact O-N 3.27Å; G9-L13 VanDerWaalsContact O-N 3.11Å; L13-A16 PolarHBondContact O-N 3.09Å; L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 PolarHBondContact O-N 2.96Å; L13-V34 HydrophobicContact CD2-CG1 4.22Å; L13-L145 HydrophobicContact CD1-CB 4.27Å; L13-L145 HydrophobicContact CD1-CD2 3.68Å; L13-L145 HydrophobicContact CG-CD2 4.32Å; L13-L148 HydrophobicContact CB-CB 3.86Å; L13-L148 HydrophobicContact CB-CD1 3.78Å; L13-L148 HydrophobicContact CB-CG 4.43Å; L13-L148 HydrophobicContact CD1-CB 4.03Å; L13-T149 WeakPolarHBondContact CD1-OG1 3.45Å; L13-L152 HydrophobicContact CB-CD1 4.21Å; L13-L152 HydrophobicContact CD2-CD1 4.03Å; L13-F159 HydrophobicContact CD2-CE1 3.71Å; L13-F159 HydrophobicContact CD2-CZ 4.45Å |
| 14 | S | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.1 | -40 | 176.2 | 58.4 | 0 | 0 | 0 | 0 | 112.2 | V10 I11 L17 C18 | V10-S14 VanDerWaalsContact O-CB 3.23Å; V10-S14 WeakPolarHBondContact O-CB 3.42Å; V10-S14 PolarHBondContact O-N 3.18Å; V10-S14 PolarHBondContact O-OG 3.43Å; I11-S14 PolarHBondContact O-OG 3.3Å; S14-L17 PolarHBondContact O-N 2.73Å; S14-C18 WeakPolarHBondContact O-CB 3.35Å; S14-C18 PolarHBondContact O-N 3.03Å |
| 15 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.9 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | I11 G12 L17 C18 I19 V179 N308 A326 | I11-T15 WeakPolarHBondContact O-CB 3.47Å; I11-T15 PolarHBondContact O-N 3.17Å; I11-T15 PolarHBondContact O-OG1 3.13Å; G12-T15 PolarHBondContact O-N 3.32Å; T15-L17 VanDerWaalsContact C-N 3.29Å; T15-L17 PolarHBondContact O-N 2.89Å; T15-C18 PolarHBondContact O-N 3.31Å; T15-I19 HydrophobicContact CG2-CD1 3.89Å; T15-I19 HydrophobicContact CG2-CG1 4.46Å; T15-I19 WeakPolarHBondContact O-CG1 3.37Å; T15-I19 PolarHBondContact O-N 2.8Å; T15-V179 HydrophobicContact CG2-CG1 3.72Å; T15-N308 PolarHBondContact OG1-ND2 2.78Å; T15-A326 HydrophobicContact CG2-CB 3.58Å |
| 16 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.2 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V5 G12 L13 H20 I32 V34 L152 | V5-A16 HydrophobicContact CG2-CB 3.93Å; G12-A16 WeakPolarHBondContact O-CB 3.4Å; G12-A16 PolarHBondContact O-N 3.41Å; L13-A16 PolarHBondContact O-N 3.09Å; A16-H20 WeakPolarHBondContact O-CB 3.5Å; A16-H20 PolarHBondContact O-N 3.27Å; A16-I32 HydrophobicContact CB-CG2 4.5Å; A16-V34 HydrophobicContact CB-CG2 4.28Å; A16-L152 HydrophobicContact CB-CD1 4.12Å; A16-L152 HydrophobicContact CB-CD2 3.92Å |
| 17 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.8 | -47.3 | -179.7 | -175.8 | 62.4 | 0 | 0 | 0 | 111.2 | L13 S14 T15 I19 H20 E21 W147 L148 R151 L152 W320 | L13-L17 WeakPolarHBondContact O-CB 3.35Å; L13-L17 PolarHBondContact O-N 2.96Å; S14-L17 PolarHBondContact O-N 2.73Å; T15-L17 VanDerWaalsContact C-N 3.29Å; T15-L17 PolarHBondContact O-N 2.89Å; L17-I19 PolarHBondContact O-N 3.41Å; L17-H20 PolarHBondContact O-N 2.9Å; L17-E21 HydrophobicContact CD1-CG 4Å; L17-E21 HydrophobicContact CG-CG 4.3Å; L17-E21 WeakPolarHBondContact O-CB 3.32Å; L17-E21 WeakPolarHBondContact O-CG 3.4Å; L17-E21 PolarHBondContact O-N 2.92Å; L17-W147 HydrophobicContact CD2-CZ3 4.28Å; L17-L148 HydrophobicContact CD2-CD2 3.58Å; L17-R151 HydrophobicContact CD1-CB 4.32Å; L17-R151 HydrophobicContact CD2-CB 4.49Å; L17-L152 HydrophobicContact CB-CD2 4.05Å; L17-L152 HydrophobicContact CB-CG 4.38Å; L17-L152 HydrophobicContact CD1-CD2 4.21Å; L17-L152 HydrophobicContact CD1-CG 4.45Å; L17-W320 HydrophobicContact CD2-CZ3 4.48Å |
| 18 | C | 98.7 | Very high | 97 | Very high | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.041 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.1 | -45.9 | 176.8 | -81.2 | 0 | 0 | 0 | 0 | 112.4 | S14 T15 R22 W320 A323 A327 | S14-C18 WeakPolarHBondContact O-CB 3.35Å; S14-C18 PolarHBondContact O-N 3.03Å; T15-C18 PolarHBondContact O-N 3.31Å; C18-R22 VanDerWaalsContact O-CB 3.25Å; C18-R22 WeakPolarHBondContact O-CB 3.4Å; C18-R22 PolarHBondContact O-N 2.78Å; C18-R22 VanDerWaalsContact O-N 3.09Å; C18-W320 WeakPolarHBondContact SG-CH2 3.29Å; C18-W320 VanDerWaalsContact SG-CZ2 3.59Å; C18-A323 HydrophobicContact CB-CB 4.05Å; C18-A327 HydrophobicContact CB-CB 4.25Å |
| 19 | I | 98.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62 | -46.5 | 176.6 | -68.8 | 169.8 | 0 | 0 | 0 | 110.1 | T15 L17 Y23 I32 V179 A327 F330 | T15-I19 HydrophobicContact CG2-CD1 3.89Å; T15-I19 HydrophobicContact CG2-CG1 4.46Å; T15-I19 WeakPolarHBondContact O-CG1 3.37Å; T15-I19 PolarHBondContact O-N 2.8Å; L17-I19 PolarHBondContact O-N 3.41Å; I19-Y23 HydrophobicContact CG2-CD2 4.37Å; I19-Y23 WeakPolarHBondContact O-CB 3.29Å; I19-Y23 WeakPolarHBondContact O-CD2 3.49Å; I19-Y23 PolarHBondContact O-N 2.73Å; I19-I32 HydrophobicContact CB-CD1 4.49Å; I19-I32 HydrophobicContact CG2-CD1 3.97Å; I19-V179 HydrophobicContact CD1-CG2 3.92Å; I19-A327 HydrophobicContact CG1-CB 4.11Å; I19-F330 HydrophobicContact CG1-CB 4.47Å; I19-F330 HydrophobicContact CG2-CD1 3.95Å; I19-F330 HydrophobicContact CG2-CE1 3.93Å; I19-F330 HydrophobicContact CG2-CG 4.23Å; I19-F330 HydrophobicContact CG2-CZ 4.26Å |
| 20 | H | 98.4 | Very high | 96.5 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 6% | 0.06 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.8 | -53 | 179.9 | -171.1 | -72.2 | 0 | 0 | 0 | 111.7 | A16 L17 R22 Y23 H24 I32 R155 | A16-H20 WeakPolarHBondContact O-CB 3.5Å; A16-H20 PolarHBondContact O-N 3.27Å; L17-H20 PolarHBondContact O-N 2.9Å; H20-R22 VanDerWaalsContact C-N 3.28Å; H20-R22 PolarHBondContact O-N 2.7Å; H20-Y23 PolarHBondContact O-N 2.85Å; H20-H24 AromaticContact CE1-CG 3.4Å; H20-H24 VanDerWaalsContact CE1-CG 3.4Å; H20-H24 AromaticContact CE1-ND1 3.32Å; H20-H24 PolarHBondContact CE1-ND1 3.14Å; H20-H24 VanDerWaalsContact CE1-ND1 3.32Å; H20-H24 AromaticContact NE2-CE1 3.93Å; H20-H24 AromaticContact NE2-CG 3.73Å; H20-H24 AromaticContact NE2-ND1 3.17Å; H20-H24 PolarHBondContact NE2-ND1 2.87Å; H20-H24 VanDerWaalsContact NE2-ND1 3.17Å; H20-H24 WeakPolarHBondContact O-CB 3.31Å; H20-H24 PolarHBondContact O-N 3.38Å; H20-I32 HydrophobicContact CB-CD1 3.79Å; H20-R155 PolarHBondContact NE2-O 3.49Å |
| 21 | E | 96.8 | Very high | 96.4 | Very high | 89 Ų | 89 | 40.2 Ų | 40.2 | 42% | 0.416 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.9 | -37.8 | -176.6 | -72.4 | -175.7 | 161 | 0 | 0 | 112.3 | L17 R155 | L17-E21 HydrophobicContact CD1-CG 4Å; L17-E21 HydrophobicContact CG-CG 4.3Å; L17-E21 WeakPolarHBondContact O-CB 3.32Å; L17-E21 WeakPolarHBondContact O-CG 3.4Å; L17-E21 PolarHBondContact O-N 2.92Å; E21-R155 IonicContact OE1-CZ 3.51Å; E21-R155 IonicContact OE1-NE 2.75Å; E21-R155 IonicContact OE1-NH2 2.84Å; E21-R155 PolarHBondContact OE1-NH2 3.05Å |
| 22 | R | 97.4 | Very high | 96.4 | Very high | 149 Ų | 149 | 39.7 Ų | 39.7 | 56% | 0.562 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -77.6 | -34.9 | -178.2 | -170.3 | 171.1 | -177.8 | 93.4 | 2.5 | 113.7 | C18 H20 | C18-R22 VanDerWaalsContact O-CB 3.25Å; C18-R22 WeakPolarHBondContact O-CB 3.4Å; C18-R22 PolarHBondContact O-N 2.78Å; C18-R22 VanDerWaalsContact O-N 3.09Å; H20-R22 VanDerWaalsContact C-N 3.28Å; H20-R22 PolarHBondContact O-N 2.7Å |
| 23 | Y | 97.3 | Very high | 96.4 | Very high | 20 Ų | 20 | 42.4 Ų | 42.4 | 8% | 0.078 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -115.6 | -13 | -167.4 | -63.8 | -74.1 | 0 | 0 | 0 | 115.7 | I19 H20 S25 V26 L27 A327 F330 G331 L334 | I19-Y23 HydrophobicContact CG2-CD2 4.37Å; I19-Y23 WeakPolarHBondContact O-CB 3.29Å; I19-Y23 WeakPolarHBondContact O-CD2 3.49Å; I19-Y23 PolarHBondContact O-N 2.73Å; H20-Y23 PolarHBondContact O-N 2.85Å; Y23-S25 VanDerWaalsContact C-N 3.3Å; Y23-S25 PolarHBondContact O-N 2.84Å; Y23-V26 HydrophobicContact CD1-CG2 4.06Å; Y23-V26 WeakPolarHBondContact O-CG2 3.33Å; Y23-V26 PolarHBondContact O-N 2.84Å; Y23-L27 WeakPolarHBondContact O-CB 3.33Å; Y23-L27 PolarHBondContact O-N 3.18Å; Y23-A327 HydrophobicContact CE2-CB 4.28Å; Y23-A327 VanDerWaalsContact CE2-O 3.26Å; Y23-A327 WeakPolarHBondContact CE2-O 3.46Å; Y23-A327 PolarHBondContact OH-O 2.87Å; Y23-F330 HydrophobicContact CD1-CD1 4.48Å; Y23-F330 AromaticContact CD2-CD1 3.49Å; Y23-F330 HydrophobicContact CD2-CD1 3.49Å; Y23-F330 VanDerWaalsContact CD2-CD1 3.49Å; Y23-F330 AromaticContact CD2-CE1 3.85Å; Y23-F330 HydrophobicContact CD2-CE1 3.85Å; Y23-F330 AromaticContact CE2-CD1 3.69Å; Y23-F330 HydrophobicContact CE2-CD1 3.69Å; Y23-F330 HydrophobicContact CE2-CE1 4.46Å; Y23-F330 AromaticContact CG-CD1 3.94Å; Y23-F330 HydrophobicContact CG-CD1 3.94Å; Y23-F330 AromaticContact CG-CE1 3.89Å; Y23-F330 HydrophobicContact CG-CE1 3.89Å; Y23-G331 WeakPolarHBondContact OH-CA 3.33Å; Y23-G331 PolarHBondContact OH-N 2.97Å; Y23-L334 HydrophobicContact CD1-CD1 3.57Å; Y23-L334 HydrophobicContact CE1-CD1 3.93Å; Y23-L334 HydrophobicContact CG-CD1 4.17Å |
| 24 | H | 95.2 | Very high | 96.4 | Very high | 82 Ų | 82 | 42.4 Ų | 42.4 | 38% | 0.38 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -37.7 | -178.6 | 178.8 | 90 | 0 | 0 | 0 | 113.5 | H20 Q28 L30 | H20-H24 AromaticContact CE1-CG 3.4Å; H20-H24 VanDerWaalsContact CE1-CG 3.4Å; H20-H24 AromaticContact CE1-ND1 3.32Å; H20-H24 PolarHBondContact CE1-ND1 3.14Å; H20-H24 VanDerWaalsContact CE1-ND1 3.32Å; H20-H24 AromaticContact NE2-CE1 3.93Å; H20-H24 AromaticContact NE2-CG 3.73Å; H20-H24 AromaticContact NE2-ND1 3.17Å; H20-H24 PolarHBondContact NE2-ND1 2.87Å; H20-H24 VanDerWaalsContact NE2-ND1 3.17Å; H20-H24 WeakPolarHBondContact O-CB 3.31Å; H20-H24 PolarHBondContact O-N 3.38Å; H24-Q28 PolarHBondContact O-NE2 3.22Å; H24-L30 HydrophobicContact CB-CD2 4.31Å |
| 25 | S | 93.6 | Very high | 96.4 | Very high | 101 Ų | 101 | 43.1 Ų | 43.1 | 71% | 0.706 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -22.2 | -178.8 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | Y23 | Y23-S25 VanDerWaalsContact C-N 3.3Å; Y23-S25 PolarHBondContact O-N 2.84Å |
| 26 | V | 92.8 | Very high | 96.4 | Very high | 49 Ų | 49 | 43.3 Ų | 43.3 | 30% | 0.297 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -13.5 | -172.9 | -62.3 | 0 | 0 | 0 | 0 | 114 | Y23 P343 | Y23-V26 HydrophobicContact CD1-CG2 4.06Å; Y23-V26 WeakPolarHBondContact O-CG2 3.33Å; Y23-V26 PolarHBondContact O-N 2.84Å; V26-P343 HydrophobicContact CG1-CG 4.15Å |
| 27 | L | 90.3 | Very high | 96.4 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 7% | 0.068 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -127.1 | 111.2 | -179 | -176.9 | 66.6 | 0 | 0 | 0 | 110.5 | M1 Y23 L30 F330 L334 L339 | M1-L27 HydrophobicContact CB-CD2 3.78Å; M1-L27 HydrophobicContact CG-CD2 3.72Å; Y23-L27 WeakPolarHBondContact O-CB 3.33Å; Y23-L27 PolarHBondContact O-N 3.18Å; L27-L30 HydrophobicContact CD2-CB 4.48Å; L27-L30 HydrophobicContact CD2-CD1 4.2Å; L27-L30 HydrophobicContact CG-CB 4.49Å; L27-L30 WeakPolarHBondContact O-CB 3.36Å; L27-L30 PolarHBondContact O-N 3.28Å; L27-F330 HydrophobicContact CD2-CE1 4.37Å; L27-F330 HydrophobicContact CD2-CZ 4.24Å; L27-L334 HydrophobicContact CD1-CD2 4.36Å; L27-L334 HydrophobicContact CD2-CD1 3.92Å; L27-L334 HydrophobicContact CD2-CD2 3.58Å; L27-L334 HydrophobicContact CD2-CG 4.42Å; L27-L339 HydrophobicContact CD1-CB 4.42Å |
| 28 | Q | 88.1 | Confident | 96.4 | Very high | 130 Ų | 130 | 52.5 Ų | 52.5 | 61% | 0.607 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -128.7 | 123.4 | 177.3 | -71.3 | -66.7 | -29.6 | 0 | 0 | 110 | H24 | H24-Q28 PolarHBondContact O-NE2 3.22Š|
| 29 | P | 90.8 | Very high | 96.4 | Very high | 101 Ų | 101 | 54.6 Ų | 54.6 | 66% | 0.656 | 27% | 0.269 | S | S | * | . | S | Bend | cis | -80.7 | 139.4 | -0.9 | 32 | -33.6 | 0 | 0 | 0 | 113.1 | M1 | M1-P29 PolarHBondContact N-O 3.28Š|
| 30 | L | 96.8 | Very high | 96.4 | Very high | 20 Ų | 20 | 56.1 Ų | 56.1 | 11% | 0.105 | 28% | 0.279 | C | S | . | . | trans | -111.4 | 106.8 | 163.6 | 174.9 | 59.2 | 0 | 0 | 0 | 108.6 | M1 V3 H24 L27 I32 F330 | M1-L30 HydrophobicContact CB-CD1 4.36Å; V3-L30 HydrophobicContact CG2-CD1 3.96Å; H24-L30 HydrophobicContact CB-CD2 4.31Å; L27-L30 HydrophobicContact CD2-CB 4.48Å; L27-L30 HydrophobicContact CD2-CD1 4.2Å; L27-L30 HydrophobicContact CG-CB 4.49Å; L27-L30 WeakPolarHBondContact O-CB 3.36Å; L27-L30 PolarHBondContact O-N 3.28Å; L30-I32 HydrophobicContact CD1-CD1 4.2Å; L30-I32 HydrophobicContact CD1-CG1 3.89Å; L30-I32 HydrophobicContact CD2-CD1 4.15Å; L30-I32 HydrophobicContact CG-CD1 4.14Å; L30-I32 HydrophobicContact CG-CG1 3.99Å; L30-F330 HydrophobicContact CD1-CZ 4.17Å | ||
| 31 | D | 97.8 | Very high | 96.3 | Very high | 54 Ų | 54 | 58.2 Ų | 58.2 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 113.2 | 178.3 | 179.7 | 22.6 | 0 | 0 | 0 | 108.5 | M1 R2 V3 K33 | M1-D31 PolarHBondContact O-N 3Å; R2-D31 CarbonylContact C-O 3.56Å; R2-D31 WeakPolarHBondContact CA-O 3.48Å; R2-D31 HydrophobicContact CG-CB 4.31Å; V3-D31 PolarHBondContact N-O 2.85Å; D31-K33 WeakPolarHBondContact OD2-CE 3.08Å; D31-K33 IonicContact OD2-NZ 2.71Å |
| 32 | I | 98.7 | Very high | 96.4 | Very high | 5 Ų | 5 | 59.7 Ų | 59.7 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.5 | 178.9 | -53 | -178.3 | 0 | 0 | 0 | 109.1 | V3 V5 A16 I19 H20 L30 V157 K158 | V3-I32 HydrophobicContact CB-CG1 4.18Å; V3-I32 WeakPolarHBondContact O-CA 3.44Å; V5-I32 HydrophobicContact CG2-CG2 4.25Å; A16-I32 HydrophobicContact CB-CG2 4.5Å; I19-I32 HydrophobicContact CB-CD1 4.49Å; I19-I32 HydrophobicContact CG2-CD1 3.97Å; H20-I32 HydrophobicContact CB-CD1 3.79Å; L30-I32 HydrophobicContact CD1-CD1 4.2Å; L30-I32 HydrophobicContact CD1-CG1 3.89Å; L30-I32 HydrophobicContact CD2-CD1 4.15Å; L30-I32 HydrophobicContact CG-CD1 4.14Å; L30-I32 HydrophobicContact CG-CG1 3.99Å; I32-V157 HydrophobicContact CB-CG1 4.29Å; I32-V157 HydrophobicContact CB-CG2 4.11Å; I32-V157 HydrophobicContact CG2-CG1 4.03Å; I32-V157 HydrophobicContact CG2-CG2 4.44Å; I32-K158 PolarHBondContact O-N 3.02Å |
| 33 | K | 98.8 | Very high | 96.5 | Very high | 57 Ų | 57 | 53.2 Ų | 53.2 | 25% | 0.248 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 144.5 | 173.9 | -59.6 | 178.7 | -175.5 | 169.8 | 0 | 110 | V3 V4 V5 D31 Y35 K158 F160 | V3-K33 PolarHBondContact O-N 3.18Å; V4-K33 WeakPolarHBondContact CA-O 3.33Å; V5-K33 PolarHBondContact N-O 3.22Å; D31-K33 WeakPolarHBondContact OD2-CE 3.08Å; D31-K33 IonicContact OD2-NZ 2.71Å; K33-Y35 HydrophobicContact CB-CD1 4.39Å; K33-Y35 HydrophobicContact CB-CE1 3.98Å; K33-Y35 HydrophobicContact CD-CE1 4.24Å; K33-K158 CarbonylContact C-O 3.51Å; K33-K158 VanDerWaalsContact CA-O 3.32Å; K33-K158 WeakPolarHBondContact CA-O 3.41Å; K33-F160 HydrophobicContact CB-CD2 4.21Å; K33-F160 HydrophobicContact CB-CE2 3.9Å; K33-F160 HydrophobicContact CD-CE2 3.71Å; K33-F160 HydrophobicContact CD-CZ 4.19Å; K33-F160 HydrophobicContact CG-CE2 3.79Å |
| 34 | V | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 118.9 | 173.2 | 179.9 | 0 | 0 | 0 | 0 | 108.7 | V5 A8 L13 A16 V157 K158 F159 F160 | V5-V34 HydrophobicContact CB-CG2 4.37Å; V5-V34 CarbonylContact O-C 3.01Å; V5-V34 WeakPolarHBondContact O-CA 3.43Å; A8-V34 HydrophobicContact CB-CG1 4.17Å; L13-V34 HydrophobicContact CD2-CG1 4.22Å; A16-V34 HydrophobicContact CB-CG2 4.28Å; V34-V157 HydrophobicContact CG2-CG1 4Å; V34-K158 PolarHBondContact N-O 3.31Å; V34-F159 HydrophobicContact CB-CD1 3.59Å; V34-F159 HydrophobicContact CB-CE1 3.79Å; V34-F159 HydrophobicContact CB-CG 4.45Å; V34-F159 HydrophobicContact CG1-CD1 3.92Å; V34-F159 HydrophobicContact CG1-CE1 4.06Å; V34-F159 HydrophobicContact CG2-CD1 4.08Å; V34-F159 HydrophobicContact CG2-CE1 3.76Å; V34-F159 HydrophobicContact CG2-CZ 4.39Å; V34-F159 WeakPolarHBondContact O-CA 3.35Å; V34-F160 PolarHBondContact O-N 3.25Å |
| 35 | Y | 98.9 | Very high | 96.7 | Very high | 15 Ų | 15 | 51.1 Ų | 51.1 | 6% | 0.059 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 127.3 | 173.5 | -68.2 | -0.3 | 0 | 0 | 0 | 108.7 | V4 V5 I6 G7 K33 F160 V164 V170 E173 | V4-Y35 HydrophobicContact CG1-CD1 4.26Å; V4-Y35 HydrophobicContact CG1-CD2 3.5Å; V4-Y35 HydrophobicContact CG1-CE2 3.81Å; V4-Y35 HydrophobicContact CG1-CG 3.76Å; V4-Y35 HydrophobicContact CG2-CE2 4.46Å; V5-Y35 PolarHBondContact O-N 2.85Å; I6-Y35 CarbonylContact C-O 3.56Å; I6-Y35 VanDerWaalsContact CA-O 3.32Å; I6-Y35 WeakPolarHBondContact CA-O 3.36Å; G7-Y35 PolarHBondContact N-O 3.43Å; K33-Y35 HydrophobicContact CB-CD1 4.39Å; K33-Y35 HydrophobicContact CB-CE1 3.98Å; K33-Y35 HydrophobicContact CD-CE1 4.24Å; Y35-F160 HydrophobicContact CD1-CB 3.69Å; Y35-F160 AromaticContact CD1-CD2 3.69Å; Y35-F160 HydrophobicContact CD1-CD2 3.69Å; Y35-F160 AromaticContact CD1-CG 3.96Å; Y35-F160 HydrophobicContact CD1-CG 3.96Å; Y35-F160 HydrophobicContact CE1-CB 3.93Å; Y35-F160 AromaticContact CE1-CD2 3.42Å; Y35-F160 HydrophobicContact CE1-CD2 3.42Å; Y35-F160 VanDerWaalsContact CE1-CD2 3.42Å; Y35-F160 HydrophobicContact CE1-CE2 4.07Å; Y35-F160 AromaticContact CE1-CG 3.74Å; Y35-F160 HydrophobicContact CE1-CG 3.74Å; Y35-V164 HydrophobicContact CD2-CG2 4.08Å; Y35-V170 HydrophobicContact CD2-CG2 4.5Å; Y35-E173 PolarHBondContact OH-OE2 2.87Å |
| 36 | A | 98.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 47 Ų | 47 | 4% | 0.041 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 150 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A8 R38 F39 F160 Q161 R162 | A8-A36 HydrophobicContact CB-CB 3.6Å; A36-R38 WeakPolarHBondContact CB-O 3.31Å; A36-F39 HydrophobicContact CB-CE1 4.13Å; A36-F39 HydrophobicContact CB-CE2 4Å; A36-F39 HydrophobicContact CB-CZ 3.76Å; A36-F39 WeakPolarHBondContact O-CE2 3.48Å; A36-F160 PolarHBondContact N-O 3.45Å; A36-F160 VanDerWaalsContact N-O 3.14Å; A36-Q161 CarbonylContact O-C 3.56Å; A36-Q161 VanDerWaalsContact O-CA 3.31Å; A36-Q161 WeakPolarHBondContact O-CA 3.17Å; A36-R162 CarbonylContact C-O 3.56Å; A36-R162 PolarHBondContact O-N 3.02Å |
| 37 | D | 98.6 | Very high | 97.2 | Very high | 65 Ų | 65 | 45.7 Ų | 45.7 | 35% | 0.348 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -91.6 | -10.7 | 174.3 | 67.9 | -17.1 | 0 | 0 | 0 | 112.8 | R162 K163 | D37-R162 PolarHBondContact N-O 3.43Å; D37-K163 HydrophobicContact CB-CB 4.05Å |
| 38 | R | 98.6 | Very high | 97.5 | Very high | 127 Ų | 127 | 46.7 Ų | 46.7 | 48% | 0.479 | 25% | 0.248 | S | C | . | . | trans | -134.6 | 134.8 | 173.6 | -61.7 | -64.6 | -176.1 | -78.9 | -6.4 | 110 | A36 L42 | A36-R38 WeakPolarHBondContact CB-O 3.31Å; R38-L42 HydrophobicContact CB-CB 4.46Å | ||
| 39 | F | 98.8 | Very high | 98 | Very high | 51 Ų | 51 | 41.6 Ų | 41.6 | 22% | 0.224 | 23% | 0.228 | C | C | . | . | trans | -124.1 | 167 | 170.5 | -68.8 | -87.3 | 0 | 0 | 0 | 108.8 | A8 A36 L42 F159 Q161 | A8-F39 HydrophobicContact CB-CD1 3.35Å; A8-F39 HydrophobicContact CB-CE1 3.33Å; A8-F39 HydrophobicContact CB-CG 4.24Å; A8-F39 HydrophobicContact CB-CZ 4.23Å; A36-F39 HydrophobicContact CB-CE1 4.13Å; A36-F39 HydrophobicContact CB-CE2 4Å; A36-F39 HydrophobicContact CB-CZ 3.76Å; A36-F39 WeakPolarHBondContact O-CE2 3.48Å; F39-L42 WeakPolarHBondContact O-CA 3.06Å; F39-L42 WeakPolarHBondContact O-CB 3.44Å; F39-L42 PolarHBondContact O-N 3.33Å; F39-F159 HydrophobicContact CE1-CB 4.42Å; F39-F159 AromaticContact CE1-CD1 3.83Å; F39-F159 HydrophobicContact CE1-CD1 3.83Å; F39-F159 HydrophobicContact CZ-CB 4.5Å; F39-Q161 HydrophobicContact CE2-CB 4.18Å; F39-Q161 HydrophobicContact CE2-CG 4.5Å | ||
| 40 | T | 98.3 | Very high | 98.3 | Very high | 33 Ų | 33 | 37 Ų | 37 | 20% | 0.202 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47 | 131 | 171 | -60.1 | 0 | 0 | 0 | 0 | 111 | D46 K142 L145 Q146 | T40-D46 WeakPolarHBondContact CA-OD2 3.48Å; T40-D46 WeakPolarHBondContact CG2-OD1 3.48Å; T40-D46 PolarHBondContact OG1-OD1 3.41Å; T40-K142 HydrophobicContact CG2-CG 3.88Å; T40-L145 WeakPolarHBondContact OG1-CB 3.47Å; T40-L145 WeakPolarHBondContact OG1-CD1 3.28Å; T40-Q146 HydrophobicContact CG2-CG 4.02Å |
| 41 | P | 97.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 36.9 Ų | 36.9 | 36% | 0.364 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -100.4 | 32.1 | 11.4 | 40.1 | -37.1 | 0 | 0 | 0 | 114.7 | D46 K142 R279 | P41-D46 VanDerWaalsContact C-CG 3.46Å; P41-D46 VanDerWaalsContact C-OD2 3.23Å; P41-D46 VanDerWaalsContact CA-CG 3.46Å; P41-K142 HydrophobicContact CB-CD 4.49Å; P41-R279 PolarHBondContact O-NH1 3.16Å |
| 42 | L | 98.3 | Very high | 98.4 | Very high | 120 Ų | 120 | 34.5 Ų | 34.5 | 63% | 0.628 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -112.6 | 17.3 | -169 | -55.3 | 175.9 | 0 | 0 | 0 | 114.3 | R38 F39 D46 | R38-L42 HydrophobicContact CB-CB 4.46Å; F39-L42 WeakPolarHBondContact O-CA 3.06Å; F39-L42 WeakPolarHBondContact O-CB 3.44Å; F39-L42 PolarHBondContact O-N 3.33Å; L42-D46 PolarHBondContact N-OD2 3.38Å |
| 43 | T | 98.7 | Very high | 98.4 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 9% | 0.086 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -99.5 | 160.3 | 176.6 | 75.4 | 0 | 0 | 0 | 0 | 111.4 | T45 D46 L145 | T43-T45 PolarHBondContact O-N 2.9Å; T43-T45 WeakPolarHBondContact OG1-CB 3.33Å; T43-T45 PolarHBondContact OG1-N 2.92Å; T43-D46 WeakPolarHBondContact CA-OD2 3.44Å; T43-D46 WeakPolarHBondContact CB-OD2 3.39Å; T43-D46 PolarHBondContact N-OD2 3.47Å; T43-D46 WeakPolarHBondContact O-CB 3.38Å; T43-D46 PolarHBondContact O-N 3.39Å; T43-D46 PolarHBondContact OG1-N 2.84Å; T43-D46 PolarHBondContact OG1-OD2 3.32Å; T43-L145 HydrophobicContact CG2-CD1 4.35Å; T43-L145 WeakPolarHBondContact OG1-CD1 3.47Å |
| 44 | T | 98.6 | Very high | 98.3 | Very high | 40 Ų | 40 | 32.5 Ų | 32.5 | 25% | 0.245 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.3 | -34.5 | 170.1 | -55.6 | 0 | 0 | 0 | 0 | 111.9 | D46 V47 A48 F282 | T44-D46 VanDerWaalsContact C-N 3.25Å; T44-D46 PolarHBondContact O-N 3.42Å; T44-V47 PolarHBondContact O-N 3.19Å; T44-A48 PolarHBondContact O-N 2.86Å; T44-F282 WeakPolarHBondContact CG2-O 3.23Å; T44-F282 PolarHBondContact OG1-O 2.78Å |
| 45 | T | 98.8 | Very high | 98.1 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 10% | 0.104 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.2 | -35.3 | 177.4 | -63.5 | 0 | 0 | 0 | 0 | 112 | V10 T43 V47 A48 L145 L316 | V10-T45 HydrophobicContact CB-CG2 3.84Å; V10-T45 HydrophobicContact CG1-CG2 4.29Å; V10-T45 PolarHBondContact N-OG1 2.77Å; V10-T45 VanDerWaalsContact N-OG1 3.14Å; T43-T45 PolarHBondContact O-N 2.9Å; T43-T45 WeakPolarHBondContact OG1-CB 3.33Å; T43-T45 PolarHBondContact OG1-N 2.92Å; T45-V47 PolarHBondContact O-N 2.75Å; T45-A48 WeakPolarHBondContact O-CB 3.15Å; T45-A48 PolarHBondContact O-N 2.61Å; T45-L145 HydrophobicContact CG2-CD1 3.68Å; T45-L145 HydrophobicContact CG2-CD2 4.01Å; T45-L145 HydrophobicContact CG2-CG 3.76Å; T45-L316 HydrophobicContact CG2-CD2 4.11Å |
| 46 | D | 98.4 | Very high | 97.7 | Very high | 15 Ų | 15 | 36 Ų | 36 | 8% | 0.08 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.6 | -22.6 | 177.2 | -60.7 | -75.1 | 0 | 0 | 0 | 113 | T40 P41 L42 T43 T44 K142 | T40-D46 WeakPolarHBondContact CA-OD2 3.48Å; T40-D46 WeakPolarHBondContact CG2-OD1 3.48Å; T40-D46 PolarHBondContact OG1-OD1 3.41Å; P41-D46 VanDerWaalsContact C-CG 3.46Å; P41-D46 VanDerWaalsContact C-OD2 3.23Å; P41-D46 VanDerWaalsContact CA-CG 3.46Å; L42-D46 PolarHBondContact N-OD2 3.38Å; T43-D46 WeakPolarHBondContact CA-OD2 3.44Å; T43-D46 WeakPolarHBondContact CB-OD2 3.39Å; T43-D46 PolarHBondContact N-OD2 3.47Å; T43-D46 WeakPolarHBondContact O-CB 3.38Å; T43-D46 PolarHBondContact O-N 3.39Å; T43-D46 PolarHBondContact OG1-N 2.84Å; T43-D46 PolarHBondContact OG1-OD2 3.32Å; T44-D46 VanDerWaalsContact C-N 3.25Å; T44-D46 PolarHBondContact O-N 3.42Å; D46-K142 WeakPolarHBondContact OD1-CA 3.48Å |
| 47 | V | 98.3 | Very high | 97.1 | Very high | 22 Ų | 22 | 39.8 Ų | 39.8 | 13% | 0.133 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -89.6 | -17.2 | 178 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | T44 T45 I202 R279 | T44-V47 PolarHBondContact O-N 3.19Å; T45-V47 PolarHBondContact O-N 2.75Å; V47-I202 HydrophobicContact CG1-CD1 3.93Å; V47-I202 HydrophobicContact CG1-CG1 3.94Å; V47-I202 WeakPolarHBondContact O-CD1 3.19Å; V47-R279 HydrophobicContact CG1-CB 3.91Å; V47-R279 HydrophobicContact CG2-CB 4.32Å |
| 48 | A | 97.7 | Very high | 96.6 | Very high | 34 Ų | 34 | 42 Ų | 42 | 28% | 0.281 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -59 | 144.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | T44 T45 G50 L316 | T44-A48 PolarHBondContact O-N 2.86Å; T45-A48 WeakPolarHBondContact O-CB 3.15Å; T45-A48 PolarHBondContact O-N 2.61Å; A48-G50 PolarHBondContact O-N 3.12Å; A48-L316 HydrophobicContact CB-CD1 3.6Å; A48-L316 HydrophobicContact CB-CG 4.41Å |
| 49 | A | 97.4 | Very high | 96 | Very high | 23 Ų | 23 | 38 Ų | 38 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | trans | -66.1 | -20.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y228 I230 T237 | A49-Y228 HydrophobicContact CB-CE2 4.27Å; A49-I230 HydrophobicContact CB-CB 4.41Å; A49-I230 HydrophobicContact CB-CD1 3.57Å; A49-I230 HydrophobicContact CB-CG2 4.48Å; A49-T237 HydrophobicContact CB-CG2 4Å | ||
| 50 | G | 96.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | trans | 93.8 | -4.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A48 I138 L139 | A48-G50 PolarHBondContact O-N 3.12Å; G50-I138 CarbonylContact O-C 3.56Å; G50-I138 WeakPolarHBondContact O-CA 3.43Å; G50-L139 VanDerWaalsContact CA-O 3.26Å; G50-L139 WeakPolarHBondContact CA-O 3.14Å; G50-L139 PolarHBondContact O-N 2.84Å | ||
| 51 | F | 98.4 | Very high | 95.2 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 8% | 0.083 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -82.8 | 132.1 | -174.9 | -174.7 | -129.1 | 0 | 0 | 0 | 113 | Q53 I92 H134 I138 F213 L215 I230 | F51-Q53 HydrophobicContact CD1-CB 3.64Å; F51-Q53 HydrophobicContact CE1-CB 3.45Å; F51-Q53 VanDerWaalsContact CE1-CB 3.45Å; F51-Q53 HydrophobicContact CE1-CG 4.02Å; F51-Q53 HydrophobicContact CZ-CB 4.27Å; F51-Q53 PolarHBondContact O-N 2.58Å; F51-I92 HydrophobicContact CD2-CG2 3.99Å; F51-I92 HydrophobicContact CE2-CG2 3.89Å; F51-H134 AromaticContact CZ-NE2 3.76Å; F51-I138 HydrophobicContact CB-CD1 4.2Å; F51-I138 HydrophobicContact CD2-CD1 4.09Å; F51-F213 HydrophobicContact CD2-CD1 4.3Å; F51-F213 HydrophobicContact CE1-CD2 4.25Å; F51-F213 HydrophobicContact CE1-CE2 4.28Å; F51-F213 HydrophobicContact CE1-CG 4.43Å; F51-F213 AromaticContact CE2-CD1 3.4Å; F51-F213 HydrophobicContact CE2-CD1 3.4Å; F51-F213 VanDerWaalsContact CE2-CD1 3.4Å; F51-F213 HydrophobicContact CE2-CD2 4.37Å; F51-F213 AromaticContact CE2-CE1 3.54Å; F51-F213 HydrophobicContact CE2-CE1 3.54Å; F51-F213 HydrophobicContact CE2-CE2 4.47Å; F51-F213 AromaticContact CE2-CG 3.85Å; F51-F213 HydrophobicContact CE2-CG 3.85Å; F51-F213 HydrophobicContact CE2-CZ 4.1Å; F51-F213 AromaticContact CZ-CD1 3.64Å; F51-F213 HydrophobicContact CZ-CD1 3.64Å; F51-F213 AromaticContact CZ-CD2 3.86Å; F51-F213 HydrophobicContact CZ-CD2 3.86Å; F51-F213 AromaticContact CZ-CE1 3.5Å; F51-F213 HydrophobicContact CZ-CE1 3.5Å; F51-F213 AromaticContact CZ-CE2 3.72Å; F51-F213 HydrophobicContact CZ-CE2 3.72Å; F51-F213 AromaticContact CZ-CG 3.82Å; F51-F213 HydrophobicContact CZ-CG 3.82Å; F51-F213 AromaticContact CZ-CZ 3.55Å; F51-F213 HydrophobicContact CZ-CZ 3.55Å; F51-L215 HydrophobicContact CD1-CD1 4.11Å; F51-L215 HydrophobicContact CD1-CD2 4.19Å; F51-L215 HydrophobicContact CE1-CD1 3.89Å; F51-L215 HydrophobicContact CE1-CD2 4.1Å; F51-I230 HydrophobicContact CB-CD1 3.86Å; F51-I230 HydrophobicContact CB-CG1 4.43Å; F51-I230 HydrophobicContact CB-CG2 3.95Å; F51-I230 HydrophobicContact CG-CD1 4.49Å |
| 52 | W | 98.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 1% | 0.011 | 25% | 0.251 | C | S | . | . | trans | -78.3 | 106.8 | 167.4 | -169.7 | 101.4 | 0 | 0 | 0 | 109.2 | P54 S68 F72 W107 T110 V111 S136 L137 T317 | W52-P54 HydrophobicContact CH2-CG 3.81Å; W52-P54 HydrophobicContact CZ2-CG 4.21Å; W52-P54 HydrophobicContact CZ3-CG 4.26Å; W52-S68 WeakPolarHBondContact CZ2-O 3.41Å; W52-F72 HydrophobicContact CD2-CB 4.41Å; W52-F72 AromaticContact CD2-CD2 3.46Å; W52-F72 HydrophobicContact CD2-CD2 3.46Å; W52-F72 VanDerWaalsContact CD2-CD2 3.46Å; W52-F72 HydrophobicContact CD2-CE2 4.19Å; W52-F72 HydrophobicContact CD2-CG 4.39Å; W52-F72 AromaticContact CE2-CD2 3.67Å; W52-F72 AromaticContact CE3-CD2 3.52Å; W52-F72 HydrophobicContact CE3-CD2 3.52Å; W52-F72 AromaticContact CE3-CE2 3.92Å; W52-F72 HydrophobicContact CE3-CE2 3.92Å; W52-F72 HydrophobicContact CG-CD2 4.01Å; W52-F72 HydrophobicContact CH2-CB 4.22Å; W52-F72 HydrophobicContact CH2-CD2 4.11Å; W52-F72 HydrophobicContact CH2-CG 4.42Å; W52-F72 HydrophobicContact CZ2-CB 3.64Å; W52-F72 HydrophobicContact CZ2-CD2 4.02Å; W52-F72 HydrophobicContact CZ2-CG 4.22Å; W52-F72 AromaticContact CZ3-CD2 3.86Å; W52-F72 HydrophobicContact CZ3-CD2 3.86Å; W52-F72 HydrophobicContact CZ3-CE2 4.33Å; W52-W107 HydrophobicContact CH2-CB 4.46Å; W52-T110 HydrophobicContact CH2-CG2 3.33Å; W52-T110 HydrophobicContact CZ2-CG2 3.88Å; W52-T110 HydrophobicContact CZ3-CG2 4.01Å; W52-V111 HydrophobicContact CE3-CG1 4.02Å; W52-V111 HydrophobicContact CZ3-CG1 3.54Å; W52-S136 PolarHBondContact O-OG 3.08Å; W52-L137 HydrophobicContact CB-CB 4.21Å; W52-L137 WeakPolarHBondContact CB-O 3.33Å; W52-L137 PolarHBondContact N-O 2.71Å; W52-T317 HydrophobicContact CD2-CG2 3.79Å; W52-T317 VanDerWaalsContact CE2-CG2 3.46Å; W52-T317 HydrophobicContact CE3-CG2 4.48Å; W52-T317 HydrophobicContact CG-CG2 4.02Å; W52-T317 HydrophobicContact CZ2-CG2 3.85Å; W52-T317 PolarHBondContact NE1-O 3.15Å | ||
| 53 | Q | 98.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | trans | -158.4 | 129.9 | 166.2 | -163.3 | -178.6 | -100.4 | 0 | 0 | 108.9 | F51 N96 W107 T317 | F51-Q53 HydrophobicContact CD1-CB 3.64Å; F51-Q53 HydrophobicContact CE1-CB 3.45Å; F51-Q53 VanDerWaalsContact CE1-CB 3.45Å; F51-Q53 HydrophobicContact CE1-CG 4.02Å; F51-Q53 HydrophobicContact CZ-CB 4.27Å; F51-Q53 PolarHBondContact O-N 2.58Å; Q53-N96 PolarHBondContact NE2-OD1 2.91Å; Q53-N96 PolarHBondContact OE1-ND2 3.45Å; Q53-N96 PolarHBondContact OE1-OD1 3.41Å; Q53-N96 VanDerWaalsContact OE1-OD1 3.13Å; Q53-W107 HydrophobicContact CG-CH2 3.74Å; Q53-W107 HydrophobicContact CG-CZ2 3.57Å; Q53-W107 HydrophobicContact CG-CZ3 4.29Å; Q53-T317 VanDerWaalsContact C-CG2 3.48Å; Q53-T317 PolarHBondContact N-OG1 3.12Å; Q53-T317 PolarHBondContact O-OG1 3.11Å; Q53-T317 VanDerWaalsContact O-OG1 3.11Å | ||
| 54 | P | 97 | Very high | 94.6 | Very high | 17 Ų | 17 | 40.3 Ų | 40.3 | 11% | 0.11 | 24% | 0.24 | C | C | . | . | trans | -68.3 | 174.9 | 167 | -19.5 | 32.7 | 0 | 0 | 0 | 111.2 | W52 W107 T317 | W52-P54 HydrophobicContact CH2-CG 3.81Å; W52-P54 HydrophobicContact CZ2-CG 4.21Å; W52-P54 HydrophobicContact CZ3-CG 4.26Å; P54-W107 HydrophobicContact CB-CG 4.23Å; P54-W107 HydrophobicContact CG-CB 3.91Å; P54-W107 HydrophobicContact CG-CG 3.81Å; P54-T317 HydrophobicContact CB-CG2 4.48Å; P54-T317 HydrophobicContact CG-CG2 3.83Å | ||
| 55 | Y | 95 | Very high | 94.5 | Very high | 43 Ų | 43 | 40.6 Ų | 40.6 | 17% | 0.169 | 25% | 0.246 | C | C | . | . | trans | -65.9 | 162.8 | 170.6 | -68 | -8.5 | 0 | 0 | 0 | 111.5 | W107 I223 Y224 G313 Y314 | Y55-W107 PolarHBondContact O-NE1 2.99Å; Y55-I223 HydrophobicContact CD1-CD1 3.18Å; Y55-I223 HydrophobicContact CD1-CG1 4.47Å; Y55-I223 HydrophobicContact CD2-CD1 4.08Å; Y55-I223 HydrophobicContact CE1-CD1 3.7Å; Y55-I223 HydrophobicContact CG-CD1 3.37Å; Y55-Y224 HydrophobicContact CD1-CE2 4.19Å; Y55-Y224 HydrophobicContact CE1-CD2 4.49Å; Y55-Y224 AromaticContact CE1-CE2 3.65Å; Y55-Y224 HydrophobicContact CE1-CE2 3.65Å; Y55-G313 WeakPolarHBondContact OH-CA 3.13Å; Y55-G313 PolarHBondContact OH-N 2.84Å; Y55-Y314 AromaticContact CD1-CD1 3.8Å; Y55-Y314 HydrophobicContact CD1-CD1 3.8Å; Y55-Y314 HydrophobicContact CD1-CE1 4.47Å; Y55-Y314 HydrophobicContact CD2-CD1 4.06Å; Y55-Y314 AromaticContact CD2-CE1 3.89Å; Y55-Y314 HydrophobicContact CD2-CE1 3.89Å; Y55-Y314 AromaticContact CE1-CD1 3.44Å; Y55-Y314 HydrophobicContact CE1-CD1 3.44Å; Y55-Y314 VanDerWaalsContact CE1-CD1 3.44Å; Y55-Y314 HydrophobicContact CE1-CE1 4.14Å; Y55-Y314 HydrophobicContact CE1-CG 4.38Å; Y55-Y314 AromaticContact CE2-CD1 3.72Å; Y55-Y314 HydrophobicContact CE2-CD1 3.72Å; Y55-Y314 AromaticContact CE2-CE1 3.51Å; Y55-Y314 HydrophobicContact CE2-CE1 3.51Å; Y55-Y314 HydrophobicContact CG-CD1 4.14Å; Y55-Y314 HydrophobicContact CG-CE1 4.39Å; Y55-Y314 AromaticContact CZ-CD1 3.42Å; Y55-Y314 VanDerWaalsContact CZ-CD1 3.42Å; Y55-Y314 AromaticContact CZ-CE1 3.68Å | ||
| 56 | L | 91.4 | Very high | 94.4 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -72.4 | -36.8 | 178.1 | -62.6 | -173.8 | 0 | 0 | 0 | 112.4 | F98 W107 W132 H217 | L56-F98 HydrophobicContact CD1-CE1 3.66Å; L56-F98 HydrophobicContact CD1-CZ 4.14Å; L56-F98 HydrophobicContact CD2-CZ 4.42Å; L56-W107 HydrophobicContact CD2-CZ2 4.12Å; L56-W132 HydrophobicContact CD2-CH2 4.1Å; L56-W132 HydrophobicContact CD2-CZ3 3.66Å; L56-H217 HydrophobicContact CD1-CB 4.21Å; L56-H217 WeakPolarHBondContact CD1-ND1 3.35Å |
| 57 | S | 86.7 | Confident | 94.4 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 59% | 0.594 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -79.2 | 142.4 | 174 | 56.1 | 0 | 0 | 0 | 0 | 110.4 | ||
| 58 | D | 86.4 | Confident | 94.4 | Very high | 110 Ų | 110 | 43.6 Ų | 43.6 | 59% | 0.588 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 141.4 | 172.1 | -69.9 | -24.1 | 0 | 0 | 0 | 111.2 | S106 | D58-S106 WeakPolarHBondContact OD1-CB 3.42Å; D58-S106 PolarHBondContact OD1-OG 3.26Å |
| 59 | P | 86.3 | Confident | 94.5 | Very high | 43 Ų | 43 | 44.7 Ų | 44.7 | 28% | 0.279 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 148.2 | 178 | 29.2 | -34.8 | 0 | 0 | 0 | 110.5 | N61 E64 | P59-N61 WeakPolarHBondContact CG-O 3.04Å; P59-N61 PolarHBondContact O-N 3.39Å; P59-E64 HydrophobicContact CB-CB 3.77Å; P59-E64 HydrophobicContact CB-CG 4.34Å; P59-E64 HydrophobicContact CG-CB 3.87Å |
| 60 | S | 88.1 | Confident | 94.5 | Very high | 86 Ų | 86 | 47.2 Ų | 47.2 | 60% | 0.601 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -62.9 | -34.6 | 174.9 | -57.9 | 0 | 0 | 0 | 0 | 112 | E288 | S60-E288 VanDerWaalsContact CB-OE1 3.3Å; S60-E288 WeakPolarHBondContact CB-OE1 3.07Å |
| 61 | N | 91.7 | Very high | 94.6 | Very high | 32 Ų | 32 | 47 Ų | 47 | 17% | 0.171 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -96.2 | 113.8 | 170.6 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | P59 K63 E64 E288 | P59-N61 WeakPolarHBondContact CG-O 3.04Å; P59-N61 PolarHBondContact O-N 3.39Å; N61-K63 PolarHBondContact O-N 2.95Å; N61-K63 VanDerWaalsContact O-N 3.12Å; N61-K63 WeakPolarHBondContact OD1-CB 3.38Å; N61-K63 PolarHBondContact OD1-N 2.64Å; N61-K63 VanDerWaalsContact OD1-N 3.11Å; N61-E64 HydrophobicContact CB-CG 4.19Å; N61-E64 WeakPolarHBondContact O-CB 3.34Å; N61-E64 PolarHBondContact O-N 3.34Å; N61-E288 HydrophobicContact CB-CB 4.44Å; N61-E288 HydrophobicContact CB-CG 4.05Å |
| 62 | P | 91.8 | Very high | 94.7 | Very high | 98 Ų | 98 | 46.2 Ų | 46.2 | 64% | 0.636 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -22.1 | -176 | 25.8 | -34.8 | 0 | 0 | 0 | 113.6 | E64 A65 | P62-E64 PolarHBondContact O-N 3.41Å; P62-A65 WeakPolarHBondContact O-CB 3.43Å; P62-A65 PolarHBondContact O-N 2.96Å; P62-A65 VanDerWaalsContact O-N 3.15Å |
| 63 | K | 95.2 | Very high | 94.7 | Very high | 103 Ų | 103 | 49.9 Ų | 49.9 | 45% | 0.448 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.5 | -23.7 | 175.6 | -65.3 | -177.6 | 177.6 | -179.6 | 0 | 112.8 | N61 A65 D66 W67 | N61-K63 PolarHBondContact O-N 2.95Å; N61-K63 VanDerWaalsContact O-N 3.12Å; N61-K63 WeakPolarHBondContact OD1-CB 3.38Å; N61-K63 PolarHBondContact OD1-N 2.64Å; N61-K63 VanDerWaalsContact OD1-N 3.11Å; K63-A65 PolarHBondContact O-N 2.84Å; K63-D66 PolarHBondContact O-N 3.2Å; K63-W67 HydrophobicContact CB-CD2 4.42Å; K63-W67 HydrophobicContact CB-CH2 4.12Å; K63-W67 HydrophobicContact CB-CZ2 3.8Å; K63-W67 HydrophobicContact CD-CZ2 4.04Å; K63-W67 VanDerWaalsContact O-CG 3.28Å; K63-W67 PolarHBondContact O-N 3.27Å |
| 64 | E | 96.5 | Very high | 94.7 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.019 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.5 | -28.1 | 179.2 | -63.4 | -170.6 | -156.1 | 0 | 0 | 112.2 | P59 N61 P62 W67 S68 I289 Y314 I318 | P59-E64 HydrophobicContact CB-CB 3.77Å; P59-E64 HydrophobicContact CB-CG 4.34Å; P59-E64 HydrophobicContact CG-CB 3.87Å; N61-E64 HydrophobicContact CB-CG 4.19Å; N61-E64 WeakPolarHBondContact O-CB 3.34Å; N61-E64 PolarHBondContact O-N 3.34Å; P62-E64 PolarHBondContact O-N 3.41Å; E64-W67 HydrophobicContact CB-CE3 4.37Å; E64-W67 HydrophobicContact CG-CE3 3.89Å; E64-W67 HydrophobicContact CG-CZ3 3.81Å; E64-S68 WeakPolarHBondContact O-CB 3.48Å; E64-S68 PolarHBondContact O-N 3.44Å; E64-S68 PolarHBondContact O-OG 3.47Å; E64-I289 HydrophobicContact CG-CD1 4.06Å; E64-I289 PolarHBondContact OE1-N 2.96Å; E64-Y314 WeakPolarHBondContact OE2-CE2 3.42Å; E64-Y314 PolarHBondContact OE2-OH 2.85Å; E64-I318 HydrophobicContact CB-CD1 3.78Å; E64-I318 HydrophobicContact CG-CD1 4.22Å; E64-I318 WeakPolarHBondContact O-CD1 3.37Å |
| 65 | A | 96 | Very high | 94.8 | Very high | 46 Ų | 46 | 50.1 Ų | 50.1 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | P62 K63 W67 S68 Q69 | P62-A65 WeakPolarHBondContact O-CB 3.43Å; P62-A65 PolarHBondContact O-N 2.96Å; P62-A65 VanDerWaalsContact O-N 3.15Å; K63-A65 PolarHBondContact O-N 2.84Å; A65-W67 PolarHBondContact O-N 2.97Å; A65-S68 PolarHBondContact O-N 3.3Å; A65-Q69 PolarHBondContact O-N 3.35Å |
| 66 | D | 97.3 | Very high | 94.9 | Very high | 97 Ų | 97 | 50.5 Ų | 50.5 | 52% | 0.519 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 176.9 | -63.8 | -29.7 | 0 | 0 | 0 | 111.7 | K63 S68 Q69 Q70 | K63-D66 PolarHBondContact O-N 3.2Å; D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 PolarHBondContact O-N 2.94Å; D66-Q69 PolarHBondContact O-N 2.88Å; D66-Q70 WeakPolarHBondContact O-CB 3.36Å; D66-Q70 VanDerWaalsContact O-CG 3.26Å; D66-Q70 WeakPolarHBondContact O-CG 3.49Å; D66-Q70 PolarHBondContact O-N 3.35Å |
| 67 | W | 98.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 5% | 0.049 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -35.2 | 177.9 | -63 | -26.7 | 0 | 0 | 0 | 112.5 | K63 E64 A65 T71 I289 L291 I318 E325 | K63-W67 HydrophobicContact CB-CD2 4.42Å; K63-W67 HydrophobicContact CB-CH2 4.12Å; K63-W67 HydrophobicContact CB-CZ2 3.8Å; K63-W67 HydrophobicContact CD-CZ2 4.04Å; K63-W67 VanDerWaalsContact O-CG 3.28Å; K63-W67 PolarHBondContact O-N 3.27Å; E64-W67 HydrophobicContact CB-CE3 4.37Å; E64-W67 HydrophobicContact CG-CE3 3.89Å; E64-W67 HydrophobicContact CG-CZ3 3.81Å; A65-W67 PolarHBondContact O-N 2.97Å; W67-T71 WeakPolarHBondContact O-CB 3.46Å; W67-T71 PolarHBondContact O-N 3.25Å; W67-T71 PolarHBondContact O-OG1 3.15Å; W67-I289 HydrophobicContact CE3-CD1 4.39Å; W67-I289 HydrophobicContact CZ3-CB 4.34Å; W67-I289 HydrophobicContact CZ3-CD1 4.36Å; W67-I289 HydrophobicContact CZ3-CG2 4.4Å; W67-L291 HydrophobicContact CH2-CB 4.1Å; W67-L291 HydrophobicContact CH2-CD2 3.76Å; W67-L291 HydrophobicContact CH2-CG 4.38Å; W67-L291 HydrophobicContact CZ2-CD2 3.78Å; W67-L291 HydrophobicContact CZ3-CD2 4.18Å; W67-I318 HydrophobicContact CB-CD1 3.98Å; W67-I318 HydrophobicContact CB-CG1 3.53Å; W67-I318 HydrophobicContact CE3-CD1 4.13Å; W67-E325 HydrophobicContact CZ2-CB 4.32Å; W67-E325 HydrophobicContact CZ2-CG 3.98Å |
| 68 | S | 98.3 | Very high | 95.6 | Very high | 7 Ų | 7 | 50.8 Ų | 50.8 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.8 | -48 | 175.1 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | W52 E64 A65 D66 Q70 T71 F72 | W52-S68 WeakPolarHBondContact CZ2-O 3.41Å; E64-S68 WeakPolarHBondContact O-CB 3.48Å; E64-S68 PolarHBondContact O-N 3.44Å; E64-S68 PolarHBondContact O-OG 3.47Å; A65-S68 PolarHBondContact O-N 3.3Å; D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 PolarHBondContact O-N 2.94Å; S68-Q70 PolarHBondContact O-N 2.96Å; S68-T71 WeakPolarHBondContact O-CB 3.32Å; S68-T71 PolarHBondContact O-N 3.31Å; S68-T71 VanDerWaalsContact O-N 3.08Å; S68-F72 PolarHBondContact O-N 3.19Å |
| 69 | Q | 98.4 | Very high | 96 | Very high | 58 Ų | 58 | 46.8 Ų | 46.8 | 27% | 0.271 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.6 | -50 | 175.2 | 179.8 | 63.7 | 58.1 | 0 | 0 | 111.7 | A65 D66 T71 F72 D73 T110 | A65-Q69 PolarHBondContact O-N 3.35Å; D66-Q69 PolarHBondContact O-N 2.88Å; Q69-T71 PolarHBondContact O-N 3.48Å; Q69-F72 WeakPolarHBondContact O-CB 3.49Å; Q69-F72 PolarHBondContact O-N 2.83Å; Q69-D73 PolarHBondContact NE2-OD1 3.28Å; Q69-D73 PolarHBondContact NE2-OD2 3.3Å; Q69-D73 PolarHBondContact O-N 2.86Å; Q69-T110 VanDerWaalsContact OE1-CB 3.23Å; Q69-T110 PolarHBondContact OE1-OG1 2.99Å |
| 70 | Q | 98.8 | Very high | 96.3 | Very high | 75 Ų | 75 | 53.1 Ų | 53.1 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.2 | -35.4 | 177 | -73.2 | 168.9 | 38.9 | 0 | 0 | 112.6 | D66 S68 Y74 | D66-Q70 WeakPolarHBondContact O-CB 3.36Å; D66-Q70 VanDerWaalsContact O-CG 3.26Å; D66-Q70 WeakPolarHBondContact O-CG 3.49Å; D66-Q70 PolarHBondContact O-N 3.35Å; S68-Q70 PolarHBondContact O-N 2.96Å; Q70-Y74 VanDerWaalsContact O-CB 3.24Å; Q70-Y74 WeakPolarHBondContact O-CB 3.48Å; Q70-Y74 PolarHBondContact O-N 2.82Å |
| 71 | T | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.3 | -41.2 | 176.4 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | W67 S68 Q69 Y74 L75 T317 I318 W320 G321 | W67-T71 WeakPolarHBondContact O-CB 3.46Å; W67-T71 PolarHBondContact O-N 3.25Å; W67-T71 PolarHBondContact O-OG1 3.15Å; S68-T71 WeakPolarHBondContact O-CB 3.32Å; S68-T71 PolarHBondContact O-N 3.31Å; S68-T71 VanDerWaalsContact O-N 3.08Å; Q69-T71 PolarHBondContact O-N 3.48Å; T71-Y74 PolarHBondContact O-N 2.83Å; T71-L75 HydrophobicContact CG2-CD1 4.03Å; T71-L75 HydrophobicContact CG2-CG 4.38Å; T71-L75 WeakPolarHBondContact O-CB 3.36Å; T71-L75 VanDerWaalsContact O-CG 3.24Å; T71-L75 WeakPolarHBondContact O-CG 3.37Å; T71-L75 PolarHBondContact O-N 2.79Å; T71-T317 WeakPolarHBondContact CB-O 3.39Å; T71-T317 WeakPolarHBondContact CG2-O 3.4Å; T71-I318 PolarHBondContact OG1-O 2.94Å; T71-W320 HydrophobicContact CG2-CB 4Å; T71-W320 PolarHBondContact OG1-N 2.97Å; T71-G321 PolarHBondContact OG1-N 2.98Å |
| 72 | F | 98.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.009 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 174.6 | -167.6 | -97.1 | 0 | 0 | 0 | 111.4 | W52 S68 Q69 Y74 L75 L76 T110 L112 L137 | W52-F72 HydrophobicContact CD2-CB 4.41Å; W52-F72 AromaticContact CD2-CD2 3.46Å; W52-F72 HydrophobicContact CD2-CD2 3.46Å; W52-F72 VanDerWaalsContact CD2-CD2 3.46Å; W52-F72 HydrophobicContact CD2-CE2 4.19Å; W52-F72 HydrophobicContact CD2-CG 4.39Å; W52-F72 AromaticContact CE2-CD2 3.67Å; W52-F72 AromaticContact CE3-CD2 3.52Å; W52-F72 HydrophobicContact CE3-CD2 3.52Å; W52-F72 AromaticContact CE3-CE2 3.92Å; W52-F72 HydrophobicContact CE3-CE2 3.92Å; W52-F72 HydrophobicContact CG-CD2 4.01Å; W52-F72 HydrophobicContact CH2-CB 4.22Å; W52-F72 HydrophobicContact CH2-CD2 4.11Å; W52-F72 HydrophobicContact CH2-CG 4.42Å; W52-F72 HydrophobicContact CZ2-CB 3.64Å; W52-F72 HydrophobicContact CZ2-CD2 4.02Å; W52-F72 HydrophobicContact CZ2-CG 4.22Å; W52-F72 AromaticContact CZ3-CD2 3.86Å; W52-F72 HydrophobicContact CZ3-CD2 3.86Å; W52-F72 HydrophobicContact CZ3-CE2 4.33Å; S68-F72 PolarHBondContact O-N 3.19Å; Q69-F72 WeakPolarHBondContact O-CB 3.49Å; Q69-F72 PolarHBondContact O-N 2.83Å; F72-Y74 VanDerWaalsContact C-N 3.34Å; F72-Y74 PolarHBondContact O-N 3.42Å; F72-L75 PolarHBondContact O-N 3.43Å; F72-L76 HydrophobicContact CE1-CD2 4.02Å; F72-L76 VanDerWaalsContact O-CB 3.25Å; F72-L76 WeakPolarHBondContact O-CB 3.24Å; F72-L76 PolarHBondContact O-N 3.22Å; F72-T110 HydrophobicContact CB-CG2 3.58Å; F72-T110 HydrophobicContact CD1-CG2 3.86Å; F72-T110 WeakPolarHBondContact CD1-O 3.32Å; F72-T110 HydrophobicContact CD2-CG2 4.23Å; F72-T110 WeakPolarHBondContact CE1-O 3.33Å; F72-T110 HydrophobicContact CG-CG2 3.62Å; F72-L112 HydrophobicContact CE1-CD2 4.33Å; F72-L112 HydrophobicContact CE1-CG 4.35Å; F72-L112 HydrophobicContact CZ-CG 4.11Å; F72-L137 HydrophobicContact CD2-CD1 3.81Å; F72-L137 HydrophobicContact CE2-CD1 3.71Å; F72-L137 HydrophobicContact CE2-CG 4.02Å; F72-L137 HydrophobicContact CG-CD1 4.39Å; F72-L137 HydrophobicContact CZ-CD1 4.18Å; F72-L137 HydrophobicContact CZ-CG 4.46Å |
| 73 | D | 98.7 | Very high | 96.6 | Very high | 79 Ų | 79 | 54 Ų | 54 | 42% | 0.422 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | -179.4 | -65.8 | -29.6 | 0 | 0 | 0 | 111.6 | Q69 L76 S77 | Q69-D73 PolarHBondContact NE2-OD1 3.28Å; Q69-D73 PolarHBondContact NE2-OD2 3.3Å; Q69-D73 PolarHBondContact O-N 2.86Å; D73-L76 PolarHBondContact O-N 2.86Å; D73-S77 WeakPolarHBondContact O-CB 3.45Å; D73-S77 PolarHBondContact O-N 3.27Å |
| 74 | Y | 98.6 | Very high | 96.5 | Very high | 26 Ų | 26 | 49.6 Ų | 49.6 | 10% | 0.102 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58 | -52.9 | 174 | 167.6 | -103.1 | 0 | 0 | 0 | 111.1 | Q70 T71 F72 L76 S77 H78 Y144 W320 | Q70-Y74 VanDerWaalsContact O-CB 3.24Å; Q70-Y74 WeakPolarHBondContact O-CB 3.48Å; Q70-Y74 PolarHBondContact O-N 2.82Å; T71-Y74 PolarHBondContact O-N 2.83Å; F72-Y74 VanDerWaalsContact C-N 3.34Å; F72-Y74 PolarHBondContact O-N 3.42Å; Y74-L76 PolarHBondContact O-N 2.82Å; Y74-S77 PolarHBondContact O-N 2.95Å; Y74-S77 PolarHBondContact O-OG 2.98Å; Y74-H78 AromaticContact CD2-CE1 3.59Å; Y74-H78 AromaticContact CD2-ND1 3.92Å; Y74-H78 AromaticContact CE2-CE1 3.21Å; Y74-H78 WeakPolarHBondContact CE2-CE1 3.37Å; Y74-H78 AromaticContact CE2-ND1 3.79Å; Y74-H78 AromaticContact CE2-NE2 3.96Å; Y74-H78 AromaticContact CZ-CE1 3.81Å; Y74-H78 PolarHBondContact O-N 3.18Å; Y74-H78 PolarHBondContact O-ND1 3.05Å; Y74-Y144 WeakPolarHBondContact CE1-OH 3.48Å; Y74-W320 VanDerWaalsContact CB-CD1 3.41Å; Y74-W320 HydrophobicContact CD1-CB 3.99Å; Y74-W320 AromaticContact CD1-CD1 3.96Å; Y74-W320 AromaticContact CD1-CD2 3.72Å; Y74-W320 HydrophobicContact CD1-CD2 3.72Å; Y74-W320 HydrophobicContact CD1-CE3 4.17Å; Y74-W320 AromaticContact CD1-CG 3.61Å; Y74-W320 HydrophobicContact CD1-CG 3.61Å; Y74-W320 AromaticContact CD2-CD1 3.78Å; Y74-W320 AromaticContact CD2-CD2 3.86Å; Y74-W320 HydrophobicContact CD2-CD2 3.86Å; Y74-W320 AromaticContact CD2-CE2 3.38Å; Y74-W320 HydrophobicContact CD2-CG 4.09Å; Y74-W320 AromaticContact CD2-CZ2 3.78Å; Y74-W320 HydrophobicContact CD2-CZ2 3.78Å; Y74-W320 AromaticContact CD2-NE1 3.31Å; Y74-W320 VanDerWaalsContact CD2-NE1 3.31Å; Y74-W320 AromaticContact CE1-CD2 3.75Å; Y74-W320 HydrophobicContact CE1-CD2 3.75Å; Y74-W320 AromaticContact CE1-CE3 3.75Å; Y74-W320 HydrophobicContact CE1-CE3 3.75Å; Y74-W320 HydrophobicContact CE1-CG 4.14Å; Y74-W320 HydrophobicContact CE1-CZ3 4.21Å; Y74-W320 AromaticContact CE2-CD2 3.87Å; Y74-W320 HydrophobicContact CE2-CD2 3.87Å; Y74-W320 AromaticContact CE2-CE2 3.43Å; Y74-W320 VanDerWaalsContact CE2-CE2 3.43Å; Y74-W320 HydrophobicContact CE2-CE3 4.21Å; Y74-W320 AromaticContact CE2-CH2 3.78Å; Y74-W320 HydrophobicContact CE2-CH2 3.78Å; Y74-W320 AromaticContact CE2-CZ2 3.38Å; Y74-W320 HydrophobicContact CE2-CZ2 3.38Å; Y74-W320 HydrophobicContact CE2-CZ3 4.17Å; Y74-W320 AromaticContact CE2-NE1 3.89Å; Y74-W320 HydrophobicContact CG-CB 4.31Å; Y74-W320 AromaticContact CG-CD1 3.43Å; Y74-W320 VanDerWaalsContact CG-CD1 3.43Å; Y74-W320 AromaticContact CG-CD2 3.77Å; Y74-W320 HydrophobicContact CG-CD2 3.77Å; Y74-W320 AromaticContact CG-CE2 3.75Å; Y74-W320 AromaticContact CG-CG 3.58Å; Y74-W320 HydrophobicContact CG-CG 3.58Å; Y74-W320 AromaticContact CG-NE1 3.51Å; Y74-W320 AromaticContact CZ-CD2 3.82Å; Y74-W320 AromaticContact CZ-CE2 3.86Å; Y74-W320 AromaticContact CZ-CE3 3.76Å; Y74-W320 AromaticContact CZ-CH2 3.82Å; Y74-W320 AromaticContact CZ-CZ2 3.87Å; Y74-W320 AromaticContact CZ-CZ3 3.76Å |
| 75 | L | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.9 | -43.3 | -178.9 | -66.9 | 175.2 | 0 | 0 | 0 | 111.4 | T71 F72 S77 H78 I79 L89 L137 L139 | T71-L75 HydrophobicContact CG2-CD1 4.03Å; T71-L75 HydrophobicContact CG2-CG 4.38Å; T71-L75 WeakPolarHBondContact O-CB 3.36Å; T71-L75 VanDerWaalsContact O-CG 3.24Å; T71-L75 WeakPolarHBondContact O-CG 3.37Å; T71-L75 PolarHBondContact O-N 2.79Å; F72-L75 PolarHBondContact O-N 3.43Å; L75-S77 VanDerWaalsContact C-N 3.27Å; L75-S77 PolarHBondContact O-N 2.84Å; L75-H78 PolarHBondContact O-N 3.38Å; L75-I79 PolarHBondContact O-N 3.16Å; L75-L89 HydrophobicContact CB-CD1 4.04Å; L75-L89 HydrophobicContact CD2-CD1 4.31Å; L75-L89 VanDerWaalsContact O-CD2 3.32Å; L75-L89 WeakPolarHBondContact O-CD2 3.31Å; L75-L137 HydrophobicContact CB-CD1 3.66Å; L75-L139 HydrophobicContact CD1-CD2 3.94Å; L75-L139 HydrophobicContact CD2-CD1 4.04Å; L75-L139 HydrophobicContact CD2-CD2 3.87Å |
| 76 | L | 98.3 | Very high | 96.2 | Very high | 51 Ų | 51 | 61.3 Ų | 61.3 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 177.9 | -172.5 | 64.7 | 0 | 0 | 0 | 111.6 | F72 D73 Y74 H78 I79 L91 L112 L137 | F72-L76 HydrophobicContact CE1-CD2 4.02Å; F72-L76 VanDerWaalsContact O-CB 3.25Å; F72-L76 WeakPolarHBondContact O-CB 3.24Å; F72-L76 PolarHBondContact O-N 3.22Å; D73-L76 PolarHBondContact O-N 2.86Å; Y74-L76 PolarHBondContact O-N 2.82Å; L76-H78 PolarHBondContact O-N 3.46Å; L76-H78 VanDerWaalsContact O-N 3.15Å; L76-I79 HydrophobicContact CD1-CG2 4.42Å; L76-I79 WeakPolarHBondContact O-CB 3Å; L76-I79 WeakPolarHBondContact O-CG2 3.36Å; L76-I79 PolarHBondContact O-N 2.96Å; L76-I79 VanDerWaalsContact O-N 3.14Å; L76-L91 HydrophobicContact CD1-CD2 4.28Å; L76-L112 HydrophobicContact CD1-CD1 4.1Å; L76-L112 HydrophobicContact CD2-CD2 4.39Å; L76-L137 HydrophobicContact CB-CD1 4.35Å |
| 77 | S | 97.3 | Very high | 96 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 60% | 0.601 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63 | -20 | 176.5 | 75.3 | 0 | 0 | 0 | 0 | 113.8 | D73 Y74 L75 | D73-S77 WeakPolarHBondContact O-CB 3.45Å; D73-S77 PolarHBondContact O-N 3.27Å; Y74-S77 PolarHBondContact O-N 2.95Å; Y74-S77 PolarHBondContact O-OG 2.98Å; L75-S77 VanDerWaalsContact C-N 3.27Å; L75-S77 PolarHBondContact O-N 2.84Å |
| 78 | H | 96.2 | Very high | 95.9 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 24% | 0.236 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -95.3 | -6.3 | 178.9 | -70.3 | 77.8 | 0 | 0 | 0 | 113.7 | Y74 L75 L76 H80 S81 L89 | Y74-H78 AromaticContact CD2-CE1 3.59Å; Y74-H78 AromaticContact CD2-ND1 3.92Å; Y74-H78 AromaticContact CE2-CE1 3.21Å; Y74-H78 WeakPolarHBondContact CE2-CE1 3.37Å; Y74-H78 AromaticContact CE2-ND1 3.79Å; Y74-H78 AromaticContact CE2-NE2 3.96Å; Y74-H78 AromaticContact CZ-CE1 3.81Å; Y74-H78 PolarHBondContact O-N 3.18Å; Y74-H78 PolarHBondContact O-ND1 3.05Å; L75-H78 PolarHBondContact O-N 3.38Å; L76-H78 PolarHBondContact O-N 3.46Å; L76-H78 VanDerWaalsContact O-N 3.15Å; H78-H80 PolarHBondContact O-N 3.11Å; H78-S81 WeakPolarHBondContact O-CB 3.12Å; H78-S81 PolarHBondContact O-N 2.88Å; H78-L89 HydrophobicContact CB-CD2 3.75Å |
| 79 | I | 94.8 | Very high | 95.9 | Very high | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -29.4 | -172.1 | -156.9 | 64.9 | 0 | 0 | 0 | 113.7 | L75 L76 L89 L91 L137 | L75-I79 PolarHBondContact O-N 3.16Å; L76-I79 HydrophobicContact CD1-CG2 4.42Å; L76-I79 WeakPolarHBondContact O-CB 3Å; L76-I79 WeakPolarHBondContact O-CG2 3.36Å; L76-I79 PolarHBondContact O-N 2.96Å; L76-I79 VanDerWaalsContact O-N 3.14Å; I79-L89 HydrophobicContact CD1-CD1 4.29Å; I79-L89 HydrophobicContact CD1-CD2 4.39Å; I79-L89 HydrophobicContact CD1-CG 3.84Å; I79-L91 HydrophobicContact CD1-CG 4.2Å; I79-L91 HydrophobicContact CG1-CD1 4.32Å; I79-L91 HydrophobicContact CG1-CG 3.97Å; I79-L137 HydrophobicContact CD1-CD2 3.74Å; I79-L137 HydrophobicContact CG1-CD2 4.43Å |
| 80 | H | 91.9 | Very high | 95.9 | Very high | 176 Ų | 176 | 56 Ų | 56 | 82% | 0.815 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | 2.3 | 177.9 | -61.5 | -53.1 | 0 | 0 | 0 | 112.9 | H78 | H78-H80 PolarHBondContact O-N 3.11Š|
| 81 | S | 93.8 | Very high | 95.9 | Very high | 39 Ų | 39 | 56 Ų | 56 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -67.2 | 140.4 | 174.5 | -178 | 0 | 0 | 0 | 0 | 110 | H78 N83 A84 | H78-S81 WeakPolarHBondContact O-CB 3.12Å; H78-S81 PolarHBondContact O-N 2.88Å; S81-N83 PolarHBondContact O-N 2.96Å; S81-N83 PolarHBondContact OG-N 3.29Å; S81-A84 WeakPolarHBondContact O-CB 3.48Å; S81-A84 PolarHBondContact O-N 3.35Å |
| 82 | P | 91.5 | Very high | 95.8 | Very high | 129 Ų | 129 | 56.2 Ų | 56.2 | 84% | 0.838 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -16.2 | 169.5 | -24.5 | 34 | 0 | 0 | 0 | 113.8 | ||
| 83 | N | 92.1 | Very high | 95.9 | Very high | 67 Ų | 67 | 57.8 Ų | 57.8 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -5 | 177.7 | -65.5 | -49.4 | 0 | 0 | 0 | 114 | S81 E85 K86 L87 | S81-N83 PolarHBondContact O-N 2.96Å; S81-N83 PolarHBondContact OG-N 3.29Å; N83-E85 PolarHBondContact O-N 3.17Å; N83-E85 VanDerWaalsContact O-N 3.16Å; N83-K86 WeakPolarHBondContact O-CA 3.47Å; N83-K86 WeakPolarHBondContact O-CB 3.39Å; N83-K86 PolarHBondContact O-N 2.93Å; N83-L87 HydrophobicContact CB-CD1 3.85Å; N83-L87 WeakPolarHBondContact O-CD1 3.47Å; N83-L87 PolarHBondContact O-N 3.41Å; N83-L87 VanDerWaalsContact O-N 3.11Å |
| 84 | A | 94 | Very high | 95.9 | Very high | 10 Ų | 10 | 54 Ų | 54 | 8% | 0.083 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -52.5 | -42.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | S81 K86 L87 G88 L89 | S81-A84 WeakPolarHBondContact O-CB 3.48Å; S81-A84 PolarHBondContact O-N 3.35Å; A84-K86 PolarHBondContact O-N 3.09Å; A84-L87 WeakPolarHBondContact O-CB 3.37Å; A84-L87 PolarHBondContact O-N 3.05Å; A84-G88 PolarHBondContact O-N 2.58Å; A84-L89 PolarHBondContact O-N 3.29Å |
| 85 | E | 91.9 | Very high | 95.9 | Very high | 166 Ų | 166 | 54 Ų | 54 | 78% | 0.776 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.7 | -42.1 | 175.2 | -174.2 | -178.4 | -178.1 | 0 | 0 | 112.6 | N83 L87 G88 | N83-E85 PolarHBondContact O-N 3.17Å; N83-E85 VanDerWaalsContact O-N 3.16Å; E85-L87 VanDerWaalsContact C-N 3.3Å; E85-L87 PolarHBondContact O-N 3.41Å; E85-G88 WeakPolarHBondContact O-CA 3.25Å; E85-G88 PolarHBondContact O-N 2.95Å |
| 86 | K | 92.8 | Very high | 95.9 | Very high | 131 Ų | 131 | 54 Ų | 54 | 57% | 0.57 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -66 | -32.1 | 177.5 | -64.3 | -177.2 | 178.5 | 177.8 | 0 | 112.5 | N83 A84 G88 | N83-K86 WeakPolarHBondContact O-CA 3.47Å; N83-K86 WeakPolarHBondContact O-CB 3.39Å; N83-K86 PolarHBondContact O-N 2.93Å; A84-K86 PolarHBondContact O-N 3.09Å; K86-G88 PolarHBondContact O-N 3.17Å |
| 87 | L | 93.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.7 | -14.9 | 172.3 | -77.9 | 77.6 | 0 | 0 | 0 | 111.7 | N83 A84 E85 L89 Y144 W147 | N83-L87 HydrophobicContact CB-CD1 3.85Å; N83-L87 WeakPolarHBondContact O-CD1 3.47Å; N83-L87 PolarHBondContact O-N 3.41Å; N83-L87 VanDerWaalsContact O-N 3.11Å; A84-L87 WeakPolarHBondContact O-CB 3.37Å; A84-L87 PolarHBondContact O-N 3.05Å; E85-L87 VanDerWaalsContact C-N 3.3Å; E85-L87 PolarHBondContact O-N 3.41Å; L87-L89 VanDerWaalsContact C-N 3.27Å; L87-L89 HydrophobicContact CB-CB 3.84Å; L87-L89 HydrophobicContact CD2-CD2 4.36Å; L87-Y144 HydrophobicContact CB-CD2 4.26Å; L87-Y144 HydrophobicContact CD2-CD2 4.32Å; L87-Y144 HydrophobicContact CD2-CE2 4.08Å; L87-Y144 HydrophobicContact CG-CD2 4.21Å; L87-Y144 HydrophobicContact CG-CE2 4.4Å; L87-Y144 WeakPolarHBondContact O-CB 3.44Å; L87-Y144 PolarHBondContact O-N 3.11Å; L87-W147 HydrophobicContact CD1-CD2 3.91Å; L87-W147 HydrophobicContact CD1-CG 3.99Å; L87-W147 HydrophobicContact CD1-CZ2 4.13Å; L87-W147 HydrophobicContact CD2-CD2 4.43Å; L87-W147 HydrophobicContact CD2-CE3 4.45Å; L87-W147 HydrophobicContact CD2-CZ3 4.49Å; L87-W147 HydrophobicContact CG-CD2 3.79Å; L87-W147 HydrophobicContact CG-CE3 4.18Å; L87-W147 HydrophobicContact CG-CG 3.97Å; L87-W147 HydrophobicContact CG-CZ2 4.48Å |
| 88 | G | 96.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 30.6 | -166.2 | 0 | 0 | 0 | 0 | 0 | 112 | A84 E85 K86 L139 E140 | A84-G88 PolarHBondContact O-N 2.58Å; E85-G88 WeakPolarHBondContact O-CA 3.25Å; E85-G88 PolarHBondContact O-N 2.95Å; K86-G88 PolarHBondContact O-N 3.17Å; G88-L139 WeakPolarHBondContact O-CA 3.21Å; G88-E140 PolarHBondContact O-N 3.32Å |
| 89 | L | 98.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 49.6 Ų | 49.6 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 121.9 | -172.3 | 175.4 | 66.4 | 0 | 0 | 0 | 111.2 | L75 H78 I79 A84 L87 L137 I138 L139 | L75-L89 HydrophobicContact CB-CD1 4.04Å; L75-L89 HydrophobicContact CD2-CD1 4.31Å; L75-L89 VanDerWaalsContact O-CD2 3.32Å; L75-L89 WeakPolarHBondContact O-CD2 3.31Å; H78-L89 HydrophobicContact CB-CD2 3.75Å; I79-L89 HydrophobicContact CD1-CD1 4.29Å; I79-L89 HydrophobicContact CD1-CD2 4.39Å; I79-L89 HydrophobicContact CD1-CG 3.84Å; A84-L89 PolarHBondContact O-N 3.29Å; L87-L89 VanDerWaalsContact C-N 3.27Å; L87-L89 HydrophobicContact CB-CB 3.84Å; L87-L89 HydrophobicContact CD2-CD2 4.36Å; L89-L137 HydrophobicContact CD1-CB 4.24Å; L89-L137 HydrophobicContact CD1-CD2 4.04Å; L89-I138 VanDerWaalsContact CA-O 3.25Å; L89-I138 WeakPolarHBondContact CA-O 3.45Å; L89-I138 WeakPolarHBondContact CD1-O 3.34Å; L89-L139 HydrophobicContact CB-CD1 4.27Å; L89-L139 HydrophobicContact CD1-CD1 4.44Å |
| 90 | F | 98 | Very high | 95.9 | Very high | 56 Ų | 56 | 54.5 Ų | 54.5 | 25% | 0.246 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 160.6 | 175 | 61.3 | -83.5 | 0 | 0 | 0 | 112 | I92 L137 I138 T233 | F90-I92 HydrophobicContact CE2-CB 4.46Å; F90-L137 CarbonylContact O-C 3.51Å; F90-L137 WeakPolarHBondContact O-CA 3.44Å; F90-I138 HydrophobicContact CD1-CB 3.92Å; F90-I138 HydrophobicContact CD1-CG2 4.08Å; F90-I138 HydrophobicContact CD2-CB 4.27Å; F90-I138 HydrophobicContact CD2-CG1 4.33Å; F90-I138 HydrophobicContact CE1-CB 3.47Å; F90-I138 VanDerWaalsContact CE1-CB 3.47Å; F90-I138 HydrophobicContact CE1-CG1 4.05Å; F90-I138 HydrophobicContact CE1-CG2 3.31Å; F90-I138 HydrophobicContact CE2-CB 3.87Å; F90-I138 HydrophobicContact CE2-CG1 3.62Å; F90-I138 HydrophobicContact CE2-CG2 4.45Å; F90-I138 HydrophobicContact CG-CB 4.3Å; F90-I138 HydrophobicContact CZ-CB 3.47Å; F90-I138 VanDerWaalsContact CZ-CB 3.47Å; F90-I138 HydrophobicContact CZ-CG1 3.47Å; F90-I138 VanDerWaalsContact CZ-CG1 3.47Å; F90-I138 HydrophobicContact CZ-CG2 3.56Å; F90-I138 PolarHBondContact N-O 3.07Å; F90-I138 VanDerWaalsContact N-O 3.14Å; F90-I138 PolarHBondContact O-N 2.91Å; F90-T233 HydrophobicContact CD1-CG2 3.78Å; F90-T233 HydrophobicContact CE1-CG2 3.4Å; F90-T233 HydrophobicContact CZ-CG2 4.34Å |
| 91 | L | 98.4 | Very high | 96.1 | Very high | 75 Ų | 75 | 49.9 Ų | 49.9 | 39% | 0.393 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 140.7 | 176.1 | -71.4 | 166.6 | 0 | 0 | 0 | 110.6 | L76 I79 L112 T135 S136 L137 | L76-L91 HydrophobicContact CD1-CD2 4.28Å; I79-L91 HydrophobicContact CD1-CG 4.2Å; I79-L91 HydrophobicContact CG1-CD1 4.32Å; I79-L91 HydrophobicContact CG1-CG 3.97Å; L91-L112 HydrophobicContact CD2-CD1 3.88Å; L91-T135 HydrophobicContact CB-CG2 4.13Å; L91-T135 HydrophobicContact CD2-CG2 4.02Å; L91-S136 WeakPolarHBondContact CA-O 3.23Å; L91-L137 HydrophobicContact CD2-CD2 3.53Å; L91-L137 HydrophobicContact CD2-CG 4.3Å; L91-L137 HydrophobicContact CG-CD2 4.19Å |
| 92 | I | 98.7 | Very high | 96.2 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 132.7 | 174 | -165.9 | 166.5 | 0 | 0 | 0 | 110.6 | F51 F90 T135 S136 I138 F213 P231 | F51-I92 HydrophobicContact CD2-CG2 3.99Å; F51-I92 HydrophobicContact CE2-CG2 3.89Å; F90-I92 HydrophobicContact CE2-CB 4.46Å; I92-T135 CarbonylContact O-C 3.33Å; I92-T135 WeakPolarHBondContact O-CA 3.48Å; I92-S136 PolarHBondContact N-O 3.4Å; I92-S136 PolarHBondContact O-N 3.39Å; I92-I138 HydrophobicContact CB-CG1 3.92Å; I92-I138 HydrophobicContact CD1-CD1 4.09Å; I92-I138 HydrophobicContact CD1-CG1 3.95Å; I92-I138 HydrophobicContact CG2-CD1 3.82Å; I92-I138 HydrophobicContact CG2-CG1 3.59Å; I92-F213 HydrophobicContact CD1-CB 4.34Å; I92-F213 HydrophobicContact CG1-CD1 4.18Å; I92-F213 HydrophobicContact CG2-CD1 3.93Å; I92-P231 HydrophobicContact CD1-CB 3.8Å; I92-P231 HydrophobicContact CD1-CG 3.83Å |
| 93 | S | 98.9 | Very high | 96.4 | Very high | 35 Ų | 35 | 48.9 Ų | 48.9 | 25% | 0.245 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 159 | 173.8 | -49.2 | 0 | 0 | 0 | 0 | 110.4 | H134 T135 H212 F213 | S93-H134 WeakPolarHBondContact CA-O 3.47Å; S93-T135 PolarHBondContact OG-OG1 2.8Å; S93-H212 WeakPolarHBondContact O-CA 3.35Å; S93-H212 WeakPolarHBondContact O-CB 3.39Å; S93-H212 PolarHBondContact O-CD2 3.44Å; S93-F213 VanDerWaalsContact C-CD1 3.46Å; S93-F213 WeakPolarHBondContact O-CD1 3.26Å; S93-F213 PolarHBondContact O-N 3.12Å; S93-F213 VanDerWaalsContact O-N 3.11Å |
| 94 | G | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.5 | -163.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F133 H134 F213 | G94-F133 WeakPolarHBondContact O-CA 3.14Å; G94-F133 WeakPolarHBondContact O-CD2 3.46Å; G94-H134 PolarHBondContact N-O 3.45Å; G94-H134 PolarHBondContact O-N 3.39Å; G94-F213 CarbonylContact C-O 3.52Å; G94-F213 VanDerWaalsContact CA-CE1 3.44Å; G94-F213 VanDerWaalsContact CA-CZ 3.46Å; G94-F213 WeakPolarHBondContact CA-O 3.45Å; G94-F213 WeakPolarHBondContact O-CZ 3.42Å |
| 95 | Y | 98.8 | Very high | 96.7 | Very high | 25 Ų | 25 | 48 Ų | 48 | 10% | 0.098 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.4 | -161 | -50.7 | -87.9 | 0 | 0 | 0 | 111.1 | L117 F125 W132 F133 H212 F213 I214 L215 | Y95-L117 HydrophobicContact CD1-CD1 4.16Å; Y95-L117 HydrophobicContact CD1-CD2 3.69Å; Y95-L117 HydrophobicContact CE1-CD2 4.15Å; Y95-F125 AromaticContact CD1-CE2 3.74Å; Y95-F125 HydrophobicContact CD1-CE2 3.74Å; Y95-F125 HydrophobicContact CD1-CZ 4.33Å; Y95-F125 HydrophobicContact CD2-CE2 4.04Å; Y95-F125 AromaticContact CD2-CZ 3.77Å; Y95-F125 HydrophobicContact CD2-CZ 3.77Å; Y95-F125 HydrophobicContact CE1-CE2 4.13Å; Y95-F125 HydrophobicContact CE2-CE2 4.39Å; Y95-F125 HydrophobicContact CE2-CZ 4.14Å; Y95-F125 AromaticContact CG-CE2 3.71Å; Y95-F125 HydrophobicContact CG-CE2 3.71Å; Y95-F125 AromaticContact CG-CZ 3.88Å; Y95-F125 HydrophobicContact CG-CZ 3.88Å; Y95-W132 WeakPolarHBondContact CA-O 3.41Å; Y95-F133 HydrophobicContact CD1-CD2 4.08Å; Y95-F133 AromaticContact CE1-CD2 3.76Å; Y95-F133 HydrophobicContact CE1-CD2 3.76Å; Y95-F133 HydrophobicContact CE1-CE2 4.24Å; Y95-H212 HydrophobicContact CD2-CB 4.08Å; Y95-H212 HydrophobicContact CE2-CB 3.69Å; Y95-H212 AromaticContact CE2-CG 3.8Å; Y95-F213 PolarHBondContact N-O 3Å; Y95-I214 HydrophobicContact CD2-CG1 4.3Å; Y95-L215 PolarHBondContact O-N 3.07Å |
| 96 | N | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 129.7 | 158.1 | -78.9 | -100 | 0 | 0 | 0 | 108 | Q53 F98 G131 W132 H134 L215 H217 | Q53-N96 PolarHBondContact NE2-OD1 2.91Å; Q53-N96 PolarHBondContact OE1-ND2 3.45Å; Q53-N96 PolarHBondContact OE1-OD1 3.41Å; Q53-N96 VanDerWaalsContact OE1-OD1 3.13Å; N96-F98 HydrophobicContact CB-CE2 3.87Å; N96-F98 HydrophobicContact CB-CZ 4.05Å; N96-G131 CarbonylContact O-C 3.44Å; N96-G131 WeakPolarHBondContact O-CA 3.3Å; N96-W132 HydrophobicContact CB-CB 4.38Å; N96-W132 HydrophobicContact CB-CE3 3.92Å; N96-W132 PolarHBondContact N-O 3.18Å; N96-W132 PolarHBondContact O-N 3.3Å; N96-H134 PolarHBondContact ND2-CE1 3.19Å; N96-H134 VanDerWaalsContact ND2-CE1 3.3Å; N96-L215 CarbonylContact C-O 3.57Å; N96-L215 VanDerWaalsContact CA-O 3.3Å; N96-L215 WeakPolarHBondContact CA-O 3.2Å; N96-H217 PolarHBondContact OD1-CE1 2.89Å; N96-H217 PolarHBondContact OD1-NE2 3.19Å |
| 97 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 138.5 | -169.9 | -60.6 | 170.8 | 0 | 0 | 0 | 111.5 | L117 F125 Y128 I214 L215 T216 H217 L266 | L97-L117 HydrophobicContact CD2-CD1 3.56Å; L97-F125 HydrophobicContact CD1-CB 3.91Å; L97-F125 HydrophobicContact CD1-CD1 3.61Å; L97-F125 HydrophobicContact CD1-CD2 3.89Å; L97-F125 HydrophobicContact CD1-CE1 4.04Å; L97-F125 HydrophobicContact CD1-CE2 4.29Å; L97-F125 HydrophobicContact CD1-CG 3.52Å; L97-F125 HydrophobicContact CD1-CZ 4.35Å; L97-F125 HydrophobicContact CD2-CB 4.18Å; L97-F125 HydrophobicContact CD2-CD2 3.6Å; L97-F125 HydrophobicContact CD2-CE2 4.14Å; L97-F125 HydrophobicContact CD2-CG 3.95Å; L97-F125 HydrophobicContact CG-CD2 4.39Å; L97-F125 HydrophobicContact CG-CG 4.41Å; L97-Y128 HydrophobicContact CB-CD1 3.7Å; L97-Y128 HydrophobicContact CB-CD2 4.11Å; L97-Y128 HydrophobicContact CB-CE1 4.15Å; L97-Y128 HydrophobicContact CB-CG 3.69Å; L97-Y128 HydrophobicContact CD1-CD2 4.02Å; L97-Y128 HydrophobicContact CD1-CE2 4.29Å; L97-Y128 HydrophobicContact CD1-CG 4.41Å; L97-Y128 HydrophobicContact CG-CG 4.49Å; L97-I214 HydrophobicContact CD1-CG2 3.63Å; L97-L215 PolarHBondContact N-O 3.37Å; L97-T216 HydrophobicContact CB-CG2 4.23Å; L97-T216 HydrophobicContact CD1-CG2 4.06Å; L97-H217 PolarHBondContact O-CD2 3.3Å; L97-H217 PolarHBondContact O-N 2.89Å; L97-H217 VanDerWaalsContact O-N 3.1Å; L97-L266 HydrophobicContact CD1-CD1 4.12Å |
| 98 | F | 97.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 150.5 | -175.4 | -52.9 | -85 | 0 | 0 | 0 | 111 | L56 N96 E100 I102 S129 Y130 W132 H217 | L56-F98 HydrophobicContact CD1-CE1 3.66Å; L56-F98 HydrophobicContact CD1-CZ 4.14Å; L56-F98 HydrophobicContact CD2-CZ 4.42Å; N96-F98 HydrophobicContact CB-CE2 3.87Å; N96-F98 HydrophobicContact CB-CZ 4.05Å; F98-E100 VanDerWaalsContact C-N 3.31Å; F98-E100 WeakPolarHBondContact CB-O 3.22Å; F98-I102 HydrophobicContact CD1-CD1 3.49Å; F98-I102 VanDerWaalsContact CD1-CD1 3.49Å; F98-I102 HydrophobicContact CD1-CG1 4Å; F98-I102 HydrophobicContact CD2-CD1 4.09Å; F98-I102 HydrophobicContact CD2-CG1 4.1Å; F98-I102 HydrophobicContact CE1-CD1 3.2Å; F98-I102 HydrophobicContact CE1-CG1 4.15Å; F98-I102 HydrophobicContact CE2-CD1 3.85Å; F98-I102 HydrophobicContact CE2-CG1 4.25Å; F98-I102 HydrophobicContact CG-CD1 3.95Å; F98-I102 HydrophobicContact CG-CG1 3.99Å; F98-I102 HydrophobicContact CZ-CD1 3.42Å; F98-I102 VanDerWaalsContact CZ-CD1 3.42Å; F98-I102 HydrophobicContact CZ-CG1 4.29Å; F98-S129 PolarHBondContact O-N 2.61Å; F98-Y130 HydrophobicContact CB-CD1 4.39Å; F98-Y130 HydrophobicContact CD2-CD1 4.01Å; F98-Y130 HydrophobicContact CG-CD1 4.5Å; F98-Y130 PolarHBondContact N-O 3.44Å; F98-Y130 PolarHBondContact O-N 3.34Å; F98-Y130 VanDerWaalsContact O-N 3.11Å; F98-W132 AromaticContact CE2-CD2 3.79Å; F98-W132 HydrophobicContact CE2-CD2 3.79Å; F98-W132 AromaticContact CE2-CE2 3.89Å; F98-W132 AromaticContact CE2-CE3 3.84Å; F98-W132 HydrophobicContact CE2-CE3 3.84Å; F98-W132 HydrophobicContact CE2-CG 4.42Å; F98-W132 HydrophobicContact CE2-CH2 4.1Å; F98-W132 HydrophobicContact CE2-CZ2 4.04Å; F98-W132 HydrophobicContact CE2-CZ3 4.01Å; F98-W132 HydrophobicContact CZ-CD2 4.31Å; F98-W132 AromaticContact CZ-CE3 3.94Å; F98-W132 HydrophobicContact CZ-CE3 3.94Å; F98-W132 AromaticContact CZ-CH2 3.76Å; F98-W132 HydrophobicContact CZ-CH2 3.76Å; F98-W132 HydrophobicContact CZ-CZ2 4.13Å; F98-W132 AromaticContact CZ-CZ3 3.66Å; F98-W132 HydrophobicContact CZ-CZ3 3.66Å; F98-H217 HydrophobicContact CD1-CB 3.66Å; F98-H217 AromaticContact CD1-CD2 3.98Å; F98-H217 HydrophobicContact CE1-CB 3.46Å; F98-H217 VanDerWaalsContact CE1-CB 3.46Å; F98-H217 AromaticContact CE1-CD2 3.23Å; F98-H217 WeakPolarHBondContact CE1-CD2 3.44Å; F98-H217 AromaticContact CE1-CG 3.44Å; F98-H217 VanDerWaalsContact CE1-CG 3.44Å; F98-H217 HydrophobicContact CZ-CB 4.46Å; F98-H217 AromaticContact CZ-CD2 3.36Å; F98-H217 WeakPolarHBondContact CZ-CD2 3.4Å; F98-H217 AromaticContact CZ-NE2 3.9Å |
| 99 | H | 96.2 | Very high | 97.4 | Very high | 94 Ų | 94 | 46.6 Ų | 46.6 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -79.3 | -14.8 | 174.9 | -65.8 | -64.1 | 0 | 0 | 0 | 113.4 | D127 Y128 S129 | H99-D127 PolarHBondContact CE1-O 2.82Å; H99-D127 PolarHBondContact ND1-O 2.71Å; H99-Y128 AromaticContact CE1-CD1 3.8Å; H99-Y128 AromaticContact CE1-CE1 3.59Å; H99-Y128 AromaticContact ND1-CD1 3.97Å; H99-Y128 AromaticContact NE2-CE1 3.64Å; H99-S129 PolarHBondContact O-OG 3.04Å |
| 100 | E | 95.1 | Very high | 97.4 | Very high | 127 Ų | 127 | 47.2 Ų | 47.2 | 59% | 0.593 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -146.5 | 167 | 179.3 | 64.9 | -179.4 | 168.6 | 0 | 0 | 111.8 | F98 I102 Y130 | F98-E100 VanDerWaalsContact C-N 3.31Å; F98-E100 WeakPolarHBondContact CB-O 3.22Å; E100-I102 HydrophobicContact CG-CG2 4.38Å; E100-I102 PolarHBondContact O-N 3.4Å; E100-Y130 WeakPolarHBondContact O-CB 3.27Å |
| 101 | A | 96.1 | Very high | 97.4 | Very high | 79 Ų | 79 | 45 Ų | 45 | 65% | 0.653 | 25% | 0.253 | S | S | * | . | trans | -68.8 | 128.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y130 | A101-Y130 HydrophobicContact CB-CD2 4.23Å; A101-Y130 HydrophobicContact CB-CE2 4.39Å; A101-Y130 HydrophobicContact CB-CG 4.37Å | ||
| 102 | I | 94.9 | Very high | 97.4 | Very high | 32 Ų | 32 | 44.5 Ų | 44.5 | 16% | 0.164 | 25% | 0.251 | C | S | . | . | trans | -126.2 | 157.4 | 177.2 | 61.9 | 152.1 | 0 | 0 | 0 | 111.5 | F98 E100 Y130 W132 | F98-I102 HydrophobicContact CD1-CD1 3.49Å; F98-I102 VanDerWaalsContact CD1-CD1 3.49Å; F98-I102 HydrophobicContact CD1-CG1 4Å; F98-I102 HydrophobicContact CD2-CD1 4.09Å; F98-I102 HydrophobicContact CD2-CG1 4.1Å; F98-I102 HydrophobicContact CE1-CD1 3.2Å; F98-I102 HydrophobicContact CE1-CG1 4.15Å; F98-I102 HydrophobicContact CE2-CD1 3.85Å; F98-I102 HydrophobicContact CE2-CG1 4.25Å; F98-I102 HydrophobicContact CG-CD1 3.95Å; F98-I102 HydrophobicContact CG-CG1 3.99Å; F98-I102 HydrophobicContact CZ-CD1 3.42Å; F98-I102 VanDerWaalsContact CZ-CD1 3.42Å; F98-I102 HydrophobicContact CZ-CG1 4.29Å; E100-I102 HydrophobicContact CG-CG2 4.38Å; E100-I102 PolarHBondContact O-N 3.4Å; I102-Y130 HydrophobicContact CG1-CD1 4.18Å; I102-Y130 HydrophobicContact CG1-CE1 4Å; I102-Y130 PolarHBondContact O-OH 3.34Å; I102-W132 HydrophobicContact CD1-CH2 3.4Å; I102-W132 HydrophobicContact CD1-CZ2 3.33Å; I102-W132 HydrophobicContact CD1-CZ3 4.45Å; I102-W132 HydrophobicContact CG1-CH2 4.22Å; I102-W132 HydrophobicContact CG1-CZ2 3.62Å | ||
| 103 | P | 95.7 | Very high | 97.4 | Very high | 115 Ų | 115 | 47.2 Ų | 47.2 | 75% | 0.747 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 148.6 | 176 | -22.9 | 34.2 | 0 | 0 | 0 | 112.4 | W132 | P103-W132 WeakPolarHBondContact O-CZ2 3.33Š|
| 104 | D | 97.3 | Very high | 97.4 | Very high | 53 Ų | 53 | 47.3 Ų | 47.3 | 28% | 0.283 | 28% | 0.276 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 144.1 | 171.9 | -71.8 | -10.8 | 0 | 0 | 0 | 110.7 | K108 K116 | D104-K108 HydrophobicContact CB-CD 3.58Å; D104-K108 IonicContact OD2-NZ 2.89Å; D104-K108 PolarHBondContact OD2-NZ 3.11Å; D104-K108 VanDerWaalsContact OD2-NZ 3.09Å; D104-K116 WeakPolarHBondContact OD1-CE 3.34Å; D104-K116 IonicContact OD1-NZ 3.72Å; D104-K116 PolarHBondContact OD1-NZ 3.17Å; D104-K116 IonicContact OD2-NZ 3.25Å; D104-K116 PolarHBondContact OD2-NZ 2.61Å |
| 105 | P | 96.1 | Very high | 97.4 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.032 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -75 | 154.1 | 177.3 | 33.1 | -32.7 | 0 | 0 | 0 | 110.7 | W107 K108 F114 W132 | P105-W107 HydrophobicContact CB-CD2 3.87Å; P105-W107 VanDerWaalsContact CB-CE2 3.43Å; P105-W107 HydrophobicContact CB-CG 4.2Å; P105-W107 HydrophobicContact CB-CH2 4.41Å; P105-W107 HydrophobicContact CB-CZ2 3.75Å; P105-W107 HydrophobicContact CG-CD2 3.89Å; P105-W107 HydrophobicContact CG-CE3 4.03Å; P105-W107 HydrophobicContact CG-CH2 3.88Å; P105-W107 HydrophobicContact CG-CZ2 3.73Å; P105-W107 HydrophobicContact CG-CZ3 4.03Å; P105-W107 PolarHBondContact O-N 3.02Å; P105-K108 HydrophobicContact CG-CB 4.13Å; P105-K108 VanDerWaalsContact O-CB 3.32Å; P105-K108 WeakPolarHBondContact O-CB 3.34Å; P105-K108 PolarHBondContact O-N 3.44Å; P105-K108 VanDerWaalsContact O-N 3.15Å; P105-F114 HydrophobicContact CG-CE2 3.94Å; P105-F114 HydrophobicContact CG-CZ 4.23Å; P105-W132 HydrophobicContact CB-CH2 4.02Å; P105-W132 HydrophobicContact CB-CZ3 4Å; P105-W132 VanDerWaalsContact CD-CH2 3.49Å; P105-W132 HydrophobicContact CG-CE3 4Å; P105-W132 HydrophobicContact CG-CH2 3.83Å; P105-W132 HydrophobicContact CG-CZ2 4.42Å; P105-W132 HydrophobicContact CG-CZ3 3.59Å |
| 106 | S | 95.8 | Very high | 97.4 | Very high | 65 Ų | 65 | 54.5 Ų | 54.5 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -61.5 | -27.3 | 177.6 | 45.8 | 0 | 0 | 0 | 0 | 113.9 | D58 K108 | D58-S106 WeakPolarHBondContact OD1-CB 3.42Å; D58-S106 PolarHBondContact OD1-OG 3.26Å; S106-K108 VanDerWaalsContact C-N 3.32Å; S106-K108 PolarHBondContact O-N 2.94Å |
| 107 | W | 97.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 3% | 0.027 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -86.6 | 7.5 | 179.1 | 50.7 | -98.7 | 0 | 0 | 0 | 114.4 | W52 Q53 P54 Y55 L56 P105 D109 T110 V111 W132 H134 | W52-W107 HydrophobicContact CH2-CB 4.46Å; Q53-W107 HydrophobicContact CG-CH2 3.74Å; Q53-W107 HydrophobicContact CG-CZ2 3.57Å; Q53-W107 HydrophobicContact CG-CZ3 4.29Å; P54-W107 HydrophobicContact CB-CG 4.23Å; P54-W107 HydrophobicContact CG-CB 3.91Å; P54-W107 HydrophobicContact CG-CG 3.81Å; Y55-W107 PolarHBondContact O-NE1 2.99Å; L56-W107 HydrophobicContact CD2-CZ2 4.12Å; P105-W107 HydrophobicContact CB-CD2 3.87Å; P105-W107 VanDerWaalsContact CB-CE2 3.43Å; P105-W107 HydrophobicContact CB-CG 4.2Å; P105-W107 HydrophobicContact CB-CH2 4.41Å; P105-W107 HydrophobicContact CB-CZ2 3.75Å; P105-W107 HydrophobicContact CG-CD2 3.89Å; P105-W107 HydrophobicContact CG-CE3 4.03Å; P105-W107 HydrophobicContact CG-CH2 3.88Å; P105-W107 HydrophobicContact CG-CZ2 3.73Å; P105-W107 HydrophobicContact CG-CZ3 4.03Å; P105-W107 PolarHBondContact O-N 3.02Å; W107-D109 PolarHBondContact O-N 3.32Å; W107-D109 VanDerWaalsContact O-N 3.16Å; W107-T110 WeakPolarHBondContact O-CB 3.19Å; W107-T110 PolarHBondContact O-N 3.38Å; W107-V111 HydrophobicContact CE3-CG1 3.8Å; W107-V111 HydrophobicContact CE3-CG2 4.04Å; W107-V111 HydrophobicContact CZ3-CG1 4.09Å; W107-V111 HydrophobicContact CZ3-CG2 4.07Å; W107-V111 PolarHBondContact O-N 3.34Å; W107-W132 HydrophobicContact CH2-CE3 4.21Å; W107-W132 HydrophobicContact CH2-CZ3 4.25Å; W107-W132 HydrophobicContact CZ2-CZ3 4.16Å; W107-H134 AromaticContact CH2-CE1 3.79Å; W107-H134 AromaticContact CZ3-CE1 3.63Å; W107-H134 AromaticContact CZ3-NE2 3.99Å |
| 108 | K | 98.2 | Very high | 97.4 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 27% | 0.274 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -56.4 | -33.3 | -177 | 76.3 | -170.1 | -166 | -179 | 0 | 113.8 | D104 P105 S106 V111 F114 | D104-K108 HydrophobicContact CB-CD 3.58Å; D104-K108 IonicContact OD2-NZ 2.89Å; D104-K108 PolarHBondContact OD2-NZ 3.11Å; D104-K108 VanDerWaalsContact OD2-NZ 3.09Å; P105-K108 HydrophobicContact CG-CB 4.13Å; P105-K108 VanDerWaalsContact O-CB 3.32Å; P105-K108 WeakPolarHBondContact O-CB 3.34Å; P105-K108 PolarHBondContact O-N 3.44Å; P105-K108 VanDerWaalsContact O-N 3.15Å; S106-K108 VanDerWaalsContact C-N 3.32Å; S106-K108 PolarHBondContact O-N 2.94Å; K108-V111 WeakPolarHBondContact O-CG2 3.43Å; K108-F114 HydrophobicContact CB-CB 4.43Å; K108-F114 HydrophobicContact CB-CD1 3.75Å; K108-F114 HydrophobicContact CB-CD2 3.95Å; K108-F114 HydrophobicContact CB-CE1 3.88Å; K108-F114 HydrophobicContact CB-CE2 4.08Å; K108-F114 HydrophobicContact CB-CG 3.79Å; K108-F114 HydrophobicContact CB-CZ 4.05Å; K108-F114 HydrophobicContact CD-CE1 4.45Å; K108-F114 WeakPolarHBondContact O-CB 3.39Å |
| 109 | D | 97.9 | Very high | 97.5 | Very high | 134 Ų | 134 | 63.1 Ų | 63.1 | 72% | 0.717 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -92.1 | -9.6 | -177.6 | -61.6 | -50.3 | 0 | 0 | 0 | 111.9 | W107 | W107-D109 PolarHBondContact O-N 3.32Å; W107-D109 VanDerWaalsContact O-N 3.16Å |
| 110 | T | 98.2 | Very high | 97.6 | Very high | 19 Ų | 19 | 68.7 Ų | 68.7 | 12% | 0.117 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -44.9 | 170.6 | -53.6 | 0 | 0 | 0 | 0 | 110.8 | W52 Q69 F72 W107 | W52-T110 HydrophobicContact CH2-CG2 3.33Å; W52-T110 HydrophobicContact CZ2-CG2 3.88Å; W52-T110 HydrophobicContact CZ3-CG2 4.01Å; Q69-T110 VanDerWaalsContact OE1-CB 3.23Å; Q69-T110 PolarHBondContact OE1-OG1 2.99Å; F72-T110 HydrophobicContact CB-CG2 3.58Å; F72-T110 HydrophobicContact CD1-CG2 3.86Å; F72-T110 WeakPolarHBondContact CD1-O 3.32Å; F72-T110 HydrophobicContact CD2-CG2 4.23Å; F72-T110 WeakPolarHBondContact CE1-O 3.33Å; F72-T110 HydrophobicContact CG-CG2 3.62Å; W107-T110 WeakPolarHBondContact O-CB 3.19Å; W107-T110 PolarHBondContact O-N 3.38Å |
| 111 | V | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 63.9 Ų | 63.9 | 5% | 0.048 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -76.5 | 161.9 | -179.7 | -61.7 | 0 | 0 | 0 | 0 | 112 | W52 W107 K108 F114 H134 | W52-V111 HydrophobicContact CE3-CG1 4.02Å; W52-V111 HydrophobicContact CZ3-CG1 3.54Å; W107-V111 HydrophobicContact CE3-CG1 3.8Å; W107-V111 HydrophobicContact CE3-CG2 4.04Å; W107-V111 HydrophobicContact CZ3-CG1 4.09Å; W107-V111 HydrophobicContact CZ3-CG2 4.07Å; W107-V111 PolarHBondContact O-N 3.34Å; K108-V111 WeakPolarHBondContact O-CG2 3.43Å; V111-F114 HydrophobicContact CG2-CB 4.02Å; V111-F114 HydrophobicContact CG2-CD2 4.26Å; V111-H134 HydrophobicContact CB-CB 4.26Å; V111-H134 HydrophobicContact CG2-CB 3.72Å |
| 112 | L | 98.8 | Very high | 97.8 | Very high | 66 Ų | 66 | 61.6 Ų | 61.6 | 35% | 0.346 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.2 | -174.1 | -55.5 | 177.2 | 0 | 0 | 0 | 111.4 | F72 L76 L91 F114 T135 | F72-L112 HydrophobicContact CE1-CD2 4.33Å; F72-L112 HydrophobicContact CE1-CG 4.35Å; F72-L112 HydrophobicContact CZ-CG 4.11Å; L76-L112 HydrophobicContact CD1-CD1 4.1Å; L76-L112 HydrophobicContact CD2-CD2 4.39Å; L91-L112 HydrophobicContact CD2-CD1 3.88Å; L112-F114 PolarHBondContact O-N 3.44Å; L112-T135 PolarHBondContact N-O 2.82Å; L112-T135 PolarHBondContact O-N 2.78Å |
| 113 | G | 98.4 | Very high | 98 | Very high | 62 Ų | 62 | 66.1 Ų | 66.1 | 64% | 0.639 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 67.3 | 35.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R115 | G113-R115 PolarHBondContact O-N 2.94Å |
| 114 | F | 98.9 | Very high | 98 | Very high | 37 Ų | 37 | 65.4 Ų | 65.4 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 132.3 | 175.3 | -179 | -89.8 | 0 | 0 | 0 | 111.9 | P105 K108 V111 L112 W132 F133 H134 | P105-F114 HydrophobicContact CG-CE2 3.94Å; P105-F114 HydrophobicContact CG-CZ 4.23Å; K108-F114 HydrophobicContact CB-CB 4.43Å; K108-F114 HydrophobicContact CB-CD1 3.75Å; K108-F114 HydrophobicContact CB-CD2 3.95Å; K108-F114 HydrophobicContact CB-CE1 3.88Å; K108-F114 HydrophobicContact CB-CE2 4.08Å; K108-F114 HydrophobicContact CB-CG 3.79Å; K108-F114 HydrophobicContact CB-CZ 4.05Å; K108-F114 HydrophobicContact CD-CE1 4.45Å; K108-F114 WeakPolarHBondContact O-CB 3.39Å; V111-F114 HydrophobicContact CG2-CB 4.02Å; V111-F114 HydrophobicContact CG2-CD2 4.26Å; L112-F114 PolarHBondContact O-N 3.44Å; F114-W132 HydrophobicContact CD2-CB 4.37Å; F114-W132 HydrophobicContact CE2-CB 3.61Å; F114-W132 AromaticContact CE2-CD2 3.74Å; F114-W132 HydrophobicContact CE2-CD2 3.74Å; F114-W132 HydrophobicContact CE2-CE3 4.03Å; F114-W132 AromaticContact CE2-CG 3.55Å; F114-W132 HydrophobicContact CE2-CG 3.55Å; F114-W132 HydrophobicContact CZ-CB 3.99Å; F114-W132 AromaticContact CZ-CD1 3.65Å; F114-W132 AromaticContact CZ-CD2 3.8Å; F114-W132 HydrophobicContact CZ-CD2 3.8Å; F114-W132 HydrophobicContact CZ-CE3 4.45Å; F114-W132 AromaticContact CZ-CG 3.54Å; F114-W132 HydrophobicContact CZ-CG 3.54Å; F114-W132 AromaticContact CZ-NE1 3.95Å; F114-F133 CarbonylContact C-O 3.47Å; F114-F133 WeakPolarHBondContact CA-O 3.37Å; F114-H134 HydrophobicContact CB-CB 4.34Å; F114-H134 HydrophobicContact CD2-CB 4.33Å |
| 115 | R | 98.8 | Very high | 98 | Very high | 89 Ų | 89 | 63.4 Ų | 63.4 | 34% | 0.336 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 169.9 | 173.5 | 60.1 | 175.8 | 178.2 | 79.3 | 1.4 | 110.8 | G113 E121 W132 F133 | G113-R115 PolarHBondContact O-N 2.94Å; R115-E121 IonicContact CZ-OE1 3.09Å; R115-E121 IonicContact CZ-OE2 2.94Å; R115-E121 VanDerWaalsContact NH1-CD 3.33Å; R115-E121 IonicContact NH1-OE1 2.78Å; R115-E121 PolarHBondContact NH1-OE1 2.68Å; R115-E121 VanDerWaalsContact NH1-OE1 3.11Å; R115-E121 IonicContact NH1-OE2 3.77Å; R115-E121 PolarHBondContact NH1-OE2 3.11Å; R115-E121 IonicContact NH2-OE1 2.79Å; R115-E121 PolarHBondContact NH2-OE1 3.24Å; R115-E121 IonicContact NH2-OE2 3.05Å; R115-W132 CarbonylContact O-C 3.6Å; R115-W132 VanDerWaalsContact O-CA 3.29Å; R115-W132 WeakPolarHBondContact O-CA 3.37Å; R115-F133 HydrophobicContact CG-CB 4.09Å; R115-F133 HydrophobicContact CG-CD1 4.46Å; R115-F133 PolarHBondContact N-O 2.88Å; R115-F133 PolarHBondContact O-N 2.99Å |
| 116 | K | 98.8 | Very high | 97.9 | Very high | 87 Ų | 87 | 68.5 Ų | 68.5 | 38% | 0.378 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 151.8 | 173.6 | -67.8 | 63.9 | 174.3 | 171.5 | 0 | 108.7 | D104 Y130 G131 | D104-K116 WeakPolarHBondContact OD1-CE 3.34Å; D104-K116 IonicContact OD1-NZ 3.72Å; D104-K116 PolarHBondContact OD1-NZ 3.17Å; D104-K116 IonicContact OD2-NZ 3.25Å; D104-K116 PolarHBondContact OD2-NZ 2.61Å; K116-Y130 HydrophobicContact CG-CE2 4.37Å; K116-G131 WeakPolarHBondContact CA-O 3.43Å |
| 117 | L | 98.8 | Very high | 97.9 | Very high | 18 Ų | 18 | 69.8 Ų | 69.8 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 141.6 | 174 | -63.7 | -174.5 | 0 | 0 | 0 | 111.1 | Y95 L97 E121 L122 G131 F133 | Y95-L117 HydrophobicContact CD1-CD1 4.16Å; Y95-L117 HydrophobicContact CD1-CD2 3.69Å; Y95-L117 HydrophobicContact CE1-CD2 4.15Å; L97-L117 HydrophobicContact CD2-CD1 3.56Å; L117-E121 HydrophobicContact CB-CB 4.22Å; L117-E121 HydrophobicContact CD2-CB 4.19Å; L117-L122 HydrophobicContact CB-CD2 4.17Å; L117-L122 HydrophobicContact CB-CG 4.02Å; L117-L122 HydrophobicContact CD1-CD2 3.9Å; L117-L122 HydrophobicContact CD1-CG 4.49Å; L117-G131 PolarHBondContact N-O 3.21Å; L117-F133 HydrophobicContact CD2-CB 3.64Å |
| 118 | T | 98.7 | Very high | 97.9 | Very high | 65 Ų | 65 | 70.8 Ų | 70.8 | 40% | 0.399 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 160.6 | 170 | 63.6 | 0 | 0 | 0 | 0 | 110.4 | R120 E121 L122 | T118-R120 PolarHBondContact O-N 3.13Å; T118-E121 PolarHBondContact N-OE2 3.14Å; T118-E121 PolarHBondContact O-N 2.92Å; T118-E121 WeakPolarHBondContact OG1-CG 3.45Å; T118-E121 PolarHBondContact OG1-N 3.43Å; T118-E121 PolarHBondContact OG1-OE2 3.44Å; T118-L122 PolarHBondContact O-N 3.14Å; T118-L122 VanDerWaalsContact O-N 3.08Å |
| 119 | P | 98.4 | Very high | 97.9 | Very high | 101 Ų | 101 | 71.2 Ų | 71.2 | 66% | 0.656 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -53.4 | -40.7 | 175.4 | -28.6 | 36.1 | 0 | 0 | 0 | 113.2 | E121 L122 D123 | P119-E121 VanDerWaalsContact C-N 3.27Å; P119-E121 PolarHBondContact O-N 2.99Å; P119-L122 PolarHBondContact O-N 3.2Å; P119-L122 VanDerWaalsContact O-N 3.13Å; P119-D123 VanDerWaalsContact O-CG 3.27Å; P119-D123 PolarHBondContact O-N 3.02Å |
| 120 | R | 98.4 | Very high | 97.9 | Very high | 211 Ų | 211 | 67.1 Ų | 67.1 | 80% | 0.796 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65 | -27.2 | 178.3 | -70.3 | -178.9 | 63.4 | -168.2 | -1.8 | 114.2 | T118 | T118-R120 PolarHBondContact O-N 3.13Å |
| 121 | E | 98.5 | Very high | 97.9 | Very high | 25 Ų | 25 | 66.3 Ų | 66.3 | 12% | 0.117 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -81.2 | -34.1 | 174.7 | -70.4 | 167.5 | 127 | 0 | 0 | 111.1 | R115 L117 T118 P119 D123 I124 F125 | R115-E121 IonicContact CZ-OE1 3.09Å; R115-E121 IonicContact CZ-OE2 2.94Å; R115-E121 VanDerWaalsContact NH1-CD 3.33Å; R115-E121 IonicContact NH1-OE1 2.78Å; R115-E121 PolarHBondContact NH1-OE1 2.68Å; R115-E121 VanDerWaalsContact NH1-OE1 3.11Å; R115-E121 IonicContact NH1-OE2 3.77Å; R115-E121 PolarHBondContact NH1-OE2 3.11Å; R115-E121 IonicContact NH2-OE1 2.79Å; R115-E121 PolarHBondContact NH2-OE1 3.24Å; R115-E121 IonicContact NH2-OE2 3.05Å; L117-E121 HydrophobicContact CB-CB 4.22Å; L117-E121 HydrophobicContact CD2-CB 4.19Å; T118-E121 PolarHBondContact N-OE2 3.14Å; T118-E121 PolarHBondContact O-N 2.92Å; T118-E121 WeakPolarHBondContact OG1-CG 3.45Å; T118-E121 PolarHBondContact OG1-N 3.43Å; T118-E121 PolarHBondContact OG1-OE2 3.44Å; P119-E121 VanDerWaalsContact C-N 3.27Å; P119-E121 PolarHBondContact O-N 2.99Å; E121-D123 VanDerWaalsContact C-N 3.31Å; E121-I124 VanDerWaalsContact O-CB 3.31Å; E121-I124 WeakPolarHBondContact O-CB 3.38Å; E121-I124 WeakPolarHBondContact O-CG1 3.23Å; E121-I124 PolarHBondContact O-N 3.28Å; E121-F125 WeakPolarHBondContact O-CD2 3.5Å |
| 122 | L | 98.3 | Very high | 97.9 | Very high | 31 Ų | 31 | 66 Ų | 66 | 16% | 0.162 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68 | -31.1 | 173 | -69.9 | 168.7 | 0 | 0 | 0 | 112.1 | L117 T118 P119 I124 F125 S129 | L117-L122 HydrophobicContact CB-CD2 4.17Å; L117-L122 HydrophobicContact CB-CG 4.02Å; L117-L122 HydrophobicContact CD1-CD2 3.9Å; L117-L122 HydrophobicContact CD1-CG 4.49Å; T118-L122 PolarHBondContact O-N 3.14Å; T118-L122 VanDerWaalsContact O-N 3.08Å; P119-L122 PolarHBondContact O-N 3.2Å; P119-L122 VanDerWaalsContact O-N 3.13Å; L122-I124 PolarHBondContact O-N 2.79Å; L122-F125 CarbonylContact O-C 3.49Å; L122-F125 VanDerWaalsContact O-C 3.25Å; L122-F125 WeakPolarHBondContact O-CA 3.4Å; L122-F125 PolarHBondContact O-N 3.08Å; L122-S129 WeakPolarHBondContact CD1-O 3.43Å |
| 123 | D | 97.6 | Very high | 97.9 | Very high | 127 Ų | 127 | 64.4 Ų | 64.4 | 68% | 0.679 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -21.4 | 173.4 | -67.7 | -27 | 0 | 0 | 0 | 113 | P119 E121 F125 | P119-D123 VanDerWaalsContact O-CG 3.27Å; P119-D123 PolarHBondContact O-N 3.02Å; E121-D123 VanDerWaalsContact C-N 3.31Å; D123-F125 VanDerWaalsContact C-N 3.31Å |
| 124 | I | 97.4 | Very high | 98 | Very high | 101 Ų | 101 | 61.5 Ų | 61.5 | 52% | 0.518 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -26.8 | 174.7 | -53.3 | 172.3 | 0 | 0 | 0 | 110.9 | E121 L122 P126 | E121-I124 VanDerWaalsContact O-CB 3.31Å; E121-I124 WeakPolarHBondContact O-CB 3.38Å; E121-I124 WeakPolarHBondContact O-CG1 3.23Å; E121-I124 PolarHBondContact O-N 3.28Å; L122-I124 PolarHBondContact O-N 2.79Å; I124-P126 WeakPolarHBondContact O-CD 3.38Å |
| 125 | F | 97.4 | Very high | 98 | Very high | 10 Ų | 10 | 61 Ų | 61 | 4% | 0.044 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -125.4 | 72.5 | -172.4 | -52.9 | -69.4 | 0 | 0 | 0 | 110.8 | Y95 L97 E121 L122 D123 D127 Y128 I214 L266 | Y95-F125 AromaticContact CD1-CE2 3.74Å; Y95-F125 HydrophobicContact CD1-CE2 3.74Å; Y95-F125 HydrophobicContact CD1-CZ 4.33Å; Y95-F125 HydrophobicContact CD2-CE2 4.04Å; Y95-F125 AromaticContact CD2-CZ 3.77Å; Y95-F125 HydrophobicContact CD2-CZ 3.77Å; Y95-F125 HydrophobicContact CE1-CE2 4.13Å; Y95-F125 HydrophobicContact CE2-CE2 4.39Å; Y95-F125 HydrophobicContact CE2-CZ 4.14Å; Y95-F125 AromaticContact CG-CE2 3.71Å; Y95-F125 HydrophobicContact CG-CE2 3.71Å; Y95-F125 AromaticContact CG-CZ 3.88Å; Y95-F125 HydrophobicContact CG-CZ 3.88Å; L97-F125 HydrophobicContact CD1-CB 3.91Å; L97-F125 HydrophobicContact CD1-CD1 3.61Å; L97-F125 HydrophobicContact CD1-CD2 3.89Å; L97-F125 HydrophobicContact CD1-CE1 4.04Å; L97-F125 HydrophobicContact CD1-CE2 4.29Å; L97-F125 HydrophobicContact CD1-CG 3.52Å; L97-F125 HydrophobicContact CD1-CZ 4.35Å; L97-F125 HydrophobicContact CD2-CB 4.18Å; L97-F125 HydrophobicContact CD2-CD2 3.6Å; L97-F125 HydrophobicContact CD2-CE2 4.14Å; L97-F125 HydrophobicContact CD2-CG 3.95Å; L97-F125 HydrophobicContact CG-CD2 4.39Å; L97-F125 HydrophobicContact CG-CG 4.41Å; E121-F125 WeakPolarHBondContact O-CD2 3.5Å; L122-F125 CarbonylContact O-C 3.49Å; L122-F125 VanDerWaalsContact O-C 3.25Å; L122-F125 WeakPolarHBondContact O-CA 3.4Å; L122-F125 PolarHBondContact O-N 3.08Å; D123-F125 VanDerWaalsContact C-N 3.31Å; F125-D127 PolarHBondContact O-N 3.43Å; F125-Y128 HydrophobicContact CB-CD2 4.04Å; F125-Y128 PolarHBondContact O-N 2.89Å; F125-I214 HydrophobicContact CE1-CD1 4.05Å; F125-I214 HydrophobicContact CE1-CG1 4.44Å; F125-I214 HydrophobicContact CE1-CG2 3.92Å; F125-I214 HydrophobicContact CZ-CD1 4.42Å; F125-I214 HydrophobicContact CZ-CG1 4.48Å; F125-I214 HydrophobicContact CZ-CG2 4.3Å; F125-L266 HydrophobicContact CD1-CD1 4.14Å |
| 126 | P | 93.9 | Very high | 98 | Very high | 113 Ų | 113 | 56.7 Ų | 56.7 | 73% | 0.734 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -19 | -165.7 | 25.3 | -36 | 0 | 0 | 0 | 115.3 | I124 Y128 | I124-P126 WeakPolarHBondContact O-CD 3.38Å; P126-Y128 VanDerWaalsContact C-N 3.28Å |
| 127 | D | 95.4 | Very high | 97.9 | Very high | 91 Ų | 91 | 52.6 Ų | 52.6 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -8.1 | 177.9 | -66.6 | -23.1 | 0 | 0 | 0 | 112.9 | H99 F125 | H99-D127 PolarHBondContact CE1-O 2.82Å; H99-D127 PolarHBondContact ND1-O 2.71Å; F125-D127 PolarHBondContact O-N 3.43Å |
| 128 | Y | 97.5 | Very high | 97.9 | Very high | 28 Ų | 28 | 51.7 Ų | 51.7 | 11% | 0.11 | 27% | 0.272 | C | S | . | . | trans | -119.8 | 145 | -173.6 | -59.5 | -84.9 | 0 | 0 | 0 | 111.7 | L97 H99 F125 P126 T216 L266 | L97-Y128 HydrophobicContact CB-CD1 3.7Å; L97-Y128 HydrophobicContact CB-CD2 4.11Å; L97-Y128 HydrophobicContact CB-CE1 4.15Å; L97-Y128 HydrophobicContact CB-CG 3.69Å; L97-Y128 HydrophobicContact CD1-CD2 4.02Å; L97-Y128 HydrophobicContact CD1-CE2 4.29Å; L97-Y128 HydrophobicContact CD1-CG 4.41Å; L97-Y128 HydrophobicContact CG-CG 4.49Å; H99-Y128 AromaticContact CE1-CD1 3.8Å; H99-Y128 AromaticContact CE1-CE1 3.59Å; H99-Y128 AromaticContact ND1-CD1 3.97Å; H99-Y128 AromaticContact NE2-CE1 3.64Å; F125-Y128 HydrophobicContact CB-CD2 4.04Å; F125-Y128 PolarHBondContact O-N 2.89Å; P126-Y128 VanDerWaalsContact C-N 3.28Å; Y128-T216 HydrophobicContact CE1-CG2 3.97Å; Y128-T216 HydrophobicContact CE2-CG2 3.81Å; Y128-T216 WeakPolarHBondContact OH-CB 3.3Å; Y128-T216 WeakPolarHBondContact OH-CG2 3.47Å; Y128-L266 HydrophobicContact CE2-CD1 3.88Å | ||
| 129 | S | 97.4 | Very high | 97.9 | Very high | 73 Ų | 73 | 48.7 Ų | 48.7 | 51% | 0.51 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -114.8 | -10.9 | -174.8 | 78.5 | 0 | 0 | 0 | 0 | 113.7 | F98 H99 L122 | F98-S129 PolarHBondContact O-N 2.61Å; H99-S129 PolarHBondContact O-OG 3.04Å; L122-S129 WeakPolarHBondContact CD1-O 3.43Å |
| 130 | Y | 98.3 | Very high | 97.9 | Very high | 48 Ų | 48 | 45 Ų | 45 | 19% | 0.188 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 157 | -179.2 | -171.8 | -107.7 | 0 | 0 | 0 | 110.8 | F98 E100 A101 I102 K116 W132 | F98-Y130 HydrophobicContact CB-CD1 4.39Å; F98-Y130 HydrophobicContact CD2-CD1 4.01Å; F98-Y130 HydrophobicContact CG-CD1 4.5Å; F98-Y130 PolarHBondContact N-O 3.44Å; F98-Y130 PolarHBondContact O-N 3.34Å; F98-Y130 VanDerWaalsContact O-N 3.11Å; E100-Y130 WeakPolarHBondContact O-CB 3.27Å; A101-Y130 HydrophobicContact CB-CD2 4.23Å; A101-Y130 HydrophobicContact CB-CE2 4.39Å; A101-Y130 HydrophobicContact CB-CG 4.37Å; I102-Y130 HydrophobicContact CG1-CD1 4.18Å; I102-Y130 HydrophobicContact CG1-CE1 4Å; I102-Y130 PolarHBondContact O-OH 3.34Å; K116-Y130 HydrophobicContact CG-CE2 4.37Å; Y130-W132 AromaticContact CE1-NE1 3.46Å; Y130-W132 AromaticContact CZ-NE1 3.94Å |
| 131 | G | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.9 | 170.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N96 K116 L117 | N96-G131 CarbonylContact O-C 3.44Å; N96-G131 WeakPolarHBondContact O-CA 3.3Å; K116-G131 WeakPolarHBondContact CA-O 3.43Å; L117-G131 PolarHBondContact N-O 3.21Å |
| 132 | W | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 145.2 | 173.6 | -48.4 | -39.5 | 0 | 0 | 0 | 111.2 | L56 Y95 N96 F98 I102 P103 P105 W107 F114 R115 Y130 | L56-W132 HydrophobicContact CD2-CH2 4.1Å; L56-W132 HydrophobicContact CD2-CZ3 3.66Å; Y95-W132 WeakPolarHBondContact CA-O 3.41Å; N96-W132 HydrophobicContact CB-CB 4.38Å; N96-W132 HydrophobicContact CB-CE3 3.92Å; N96-W132 PolarHBondContact N-O 3.18Å; N96-W132 PolarHBondContact O-N 3.3Å; F98-W132 AromaticContact CE2-CD2 3.79Å; F98-W132 HydrophobicContact CE2-CD2 3.79Å; F98-W132 AromaticContact CE2-CE2 3.89Å; F98-W132 AromaticContact CE2-CE3 3.84Å; F98-W132 HydrophobicContact CE2-CE3 3.84Å; F98-W132 HydrophobicContact CE2-CG 4.42Å; F98-W132 HydrophobicContact CE2-CH2 4.1Å; F98-W132 HydrophobicContact CE2-CZ2 4.04Å; F98-W132 HydrophobicContact CE2-CZ3 4.01Å; F98-W132 HydrophobicContact CZ-CD2 4.31Å; F98-W132 AromaticContact CZ-CE3 3.94Å; F98-W132 HydrophobicContact CZ-CE3 3.94Å; F98-W132 AromaticContact CZ-CH2 3.76Å; F98-W132 HydrophobicContact CZ-CH2 3.76Å; F98-W132 HydrophobicContact CZ-CZ2 4.13Å; F98-W132 AromaticContact CZ-CZ3 3.66Å; F98-W132 HydrophobicContact CZ-CZ3 3.66Å; I102-W132 HydrophobicContact CD1-CH2 3.4Å; I102-W132 HydrophobicContact CD1-CZ2 3.33Å; I102-W132 HydrophobicContact CD1-CZ3 4.45Å; I102-W132 HydrophobicContact CG1-CH2 4.22Å; I102-W132 HydrophobicContact CG1-CZ2 3.62Å; P103-W132 WeakPolarHBondContact O-CZ2 3.33Å; P105-W132 HydrophobicContact CB-CH2 4.02Å; P105-W132 HydrophobicContact CB-CZ3 4Å; P105-W132 VanDerWaalsContact CD-CH2 3.49Å; P105-W132 HydrophobicContact CG-CE3 4Å; P105-W132 HydrophobicContact CG-CH2 3.83Å; P105-W132 HydrophobicContact CG-CZ2 4.42Å; P105-W132 HydrophobicContact CG-CZ3 3.59Å; W107-W132 HydrophobicContact CH2-CE3 4.21Å; W107-W132 HydrophobicContact CH2-CZ3 4.25Å; W107-W132 HydrophobicContact CZ2-CZ3 4.16Å; F114-W132 HydrophobicContact CD2-CB 4.37Å; F114-W132 HydrophobicContact CE2-CB 3.61Å; F114-W132 AromaticContact CE2-CD2 3.74Å; F114-W132 HydrophobicContact CE2-CD2 3.74Å; F114-W132 HydrophobicContact CE2-CE3 4.03Å; F114-W132 AromaticContact CE2-CG 3.55Å; F114-W132 HydrophobicContact CE2-CG 3.55Å; F114-W132 HydrophobicContact CZ-CB 3.99Å; F114-W132 AromaticContact CZ-CD1 3.65Å; F114-W132 AromaticContact CZ-CD2 3.8Å; F114-W132 HydrophobicContact CZ-CD2 3.8Å; F114-W132 HydrophobicContact CZ-CE3 4.45Å; F114-W132 AromaticContact CZ-CG 3.54Å; F114-W132 HydrophobicContact CZ-CG 3.54Å; F114-W132 AromaticContact CZ-NE1 3.95Å; R115-W132 CarbonylContact O-C 3.6Å; R115-W132 VanDerWaalsContact O-CA 3.29Å; R115-W132 WeakPolarHBondContact O-CA 3.37Å; Y130-W132 AromaticContact CE1-NE1 3.46Å; Y130-W132 AromaticContact CZ-NE1 3.94Å |
| 133 | F | 98.9 | Very high | 97.8 | Very high | 33 Ų | 33 | 38.9 Ų | 38.9 | 15% | 0.145 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 137.9 | 166.1 | -177.8 | -90 | 0 | 0 | 0 | 109.4 | G94 Y95 F114 R115 L117 | G94-F133 WeakPolarHBondContact O-CA 3.14Å; G94-F133 WeakPolarHBondContact O-CD2 3.46Å; Y95-F133 HydrophobicContact CD1-CD2 4.08Å; Y95-F133 AromaticContact CE1-CD2 3.76Å; Y95-F133 HydrophobicContact CE1-CD2 3.76Å; Y95-F133 HydrophobicContact CE1-CE2 4.24Å; F114-F133 CarbonylContact C-O 3.47Å; F114-F133 WeakPolarHBondContact CA-O 3.37Å; R115-F133 HydrophobicContact CG-CB 4.09Å; R115-F133 HydrophobicContact CG-CD1 4.46Å; R115-F133 PolarHBondContact N-O 2.88Å; R115-F133 PolarHBondContact O-N 2.99Å; L117-F133 HydrophobicContact CD2-CB 3.64Å |
| 134 | H | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 170.4 | 169.5 | 65.4 | -90.5 | 0 | 0 | 0 | 110.7 | F51 S93 G94 N96 W107 V111 F114 F213 | F51-H134 AromaticContact CZ-NE2 3.76Å; S93-H134 WeakPolarHBondContact CA-O 3.47Å; G94-H134 PolarHBondContact N-O 3.45Å; G94-H134 PolarHBondContact O-N 3.39Å; N96-H134 PolarHBondContact ND2-CE1 3.19Å; N96-H134 VanDerWaalsContact ND2-CE1 3.3Å; W107-H134 AromaticContact CH2-CE1 3.79Å; W107-H134 AromaticContact CZ3-CE1 3.63Å; W107-H134 AromaticContact CZ3-NE2 3.99Å; V111-H134 HydrophobicContact CB-CB 4.26Å; V111-H134 HydrophobicContact CG2-CB 3.72Å; F114-H134 HydrophobicContact CB-CB 4.34Å; F114-H134 HydrophobicContact CD2-CB 4.33Å; H134-F213 AromaticContact CD2-CZ 3.93Å; H134-F213 AromaticContact CE1-CE2 4Å; H134-F213 AromaticContact CE1-CZ 3.48Å; H134-F213 VanDerWaalsContact CE1-CZ 3.48Å; H134-F213 WeakPolarHBondContact CE1-CZ 3.44Å; H134-F213 AromaticContact ND1-CZ 3.88Å; H134-F213 AromaticContact NE2-CZ 3.48Å; H134-F213 WeakPolarHBondContact NE2-CZ 3.22Å |
| 135 | T | 98.9 | Very high | 97.9 | Very high | 26 Ų | 26 | 28 Ų | 28 | 16% | 0.16 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 131 | 167.3 | -56.8 | 0 | 0 | 0 | 0 | 109.5 | L91 I92 S93 L112 | L91-T135 HydrophobicContact CB-CG2 4.13Å; L91-T135 HydrophobicContact CD2-CG2 4.02Å; I92-T135 CarbonylContact O-C 3.33Å; I92-T135 WeakPolarHBondContact O-CA 3.48Å; S93-T135 PolarHBondContact OG-OG1 2.8Å; L112-T135 PolarHBondContact N-O 2.82Å; L112-T135 PolarHBondContact O-N 2.78Å |
| 136 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | -160.2 | 176.9 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | W52 L91 I92 | W52-S136 PolarHBondContact O-OG 3.08Å; L91-S136 WeakPolarHBondContact CA-O 3.23Å; I92-S136 PolarHBondContact N-O 3.4Å; I92-S136 PolarHBondContact O-N 3.39Å |
| 137 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.1 | -176.5 | -64 | 161.3 | 0 | 0 | 0 | 110.1 | W52 F72 L75 L76 I79 L89 F90 L91 | W52-L137 HydrophobicContact CB-CB 4.21Å; W52-L137 WeakPolarHBondContact CB-O 3.33Å; W52-L137 PolarHBondContact N-O 2.71Å; F72-L137 HydrophobicContact CD2-CD1 3.81Å; F72-L137 HydrophobicContact CE2-CD1 3.71Å; F72-L137 HydrophobicContact CE2-CG 4.02Å; F72-L137 HydrophobicContact CG-CD1 4.39Å; F72-L137 HydrophobicContact CZ-CD1 4.18Å; F72-L137 HydrophobicContact CZ-CG 4.46Å; L75-L137 HydrophobicContact CB-CD1 3.66Å; L76-L137 HydrophobicContact CB-CD1 4.35Å; I79-L137 HydrophobicContact CD1-CD2 3.74Å; I79-L137 HydrophobicContact CG1-CD2 4.43Å; L89-L137 HydrophobicContact CD1-CB 4.24Å; L89-L137 HydrophobicContact CD1-CD2 4.04Å; F90-L137 CarbonylContact O-C 3.51Å; F90-L137 WeakPolarHBondContact O-CA 3.44Å; L91-L137 HydrophobicContact CD2-CD2 3.53Å; L91-L137 HydrophobicContact CD2-CG 4.3Å; L91-L137 HydrophobicContact CG-CD2 4.19Å |
| 138 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 138.4 | 156.6 | -64.5 | -61.9 | 0 | 0 | 0 | 108 | G50 F51 L89 F90 I92 E140 I230 | G50-I138 CarbonylContact O-C 3.56Å; G50-I138 WeakPolarHBondContact O-CA 3.43Å; F51-I138 HydrophobicContact CB-CD1 4.2Å; F51-I138 HydrophobicContact CD2-CD1 4.09Å; L89-I138 VanDerWaalsContact CA-O 3.25Å; L89-I138 WeakPolarHBondContact CA-O 3.45Å; L89-I138 WeakPolarHBondContact CD1-O 3.34Å; F90-I138 HydrophobicContact CD1-CB 3.92Å; F90-I138 HydrophobicContact CD1-CG2 4.08Å; F90-I138 HydrophobicContact CD2-CB 4.27Å; F90-I138 HydrophobicContact CD2-CG1 4.33Å; F90-I138 HydrophobicContact CE1-CB 3.47Å; F90-I138 VanDerWaalsContact CE1-CB 3.47Å; F90-I138 HydrophobicContact CE1-CG1 4.05Å; F90-I138 HydrophobicContact CE1-CG2 3.31Å; F90-I138 HydrophobicContact CE2-CB 3.87Å; F90-I138 HydrophobicContact CE2-CG1 3.62Å; F90-I138 HydrophobicContact CE2-CG2 4.45Å; F90-I138 HydrophobicContact CG-CB 4.3Å; F90-I138 HydrophobicContact CZ-CB 3.47Å; F90-I138 VanDerWaalsContact CZ-CB 3.47Å; F90-I138 HydrophobicContact CZ-CG1 3.47Å; F90-I138 VanDerWaalsContact CZ-CG1 3.47Å; F90-I138 HydrophobicContact CZ-CG2 3.56Å; F90-I138 PolarHBondContact N-O 3.07Å; F90-I138 VanDerWaalsContact N-O 3.14Å; F90-I138 PolarHBondContact O-N 2.91Å; I92-I138 HydrophobicContact CB-CG1 3.92Å; I92-I138 HydrophobicContact CD1-CD1 4.09Å; I92-I138 HydrophobicContact CD1-CG1 3.95Å; I92-I138 HydrophobicContact CG2-CD1 3.82Å; I92-I138 HydrophobicContact CG2-CG1 3.59Å; I138-E140 HydrophobicContact CG2-CG 3.87Å; I138-I230 HydrophobicContact CD1-CG2 3.63Å |
| 139 | L | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 99.7 | 167.1 | -177.3 | 66 | 0 | 0 | 0 | 107.9 | G50 L75 G88 L89 G141 Y144 L316 | G50-L139 VanDerWaalsContact CA-O 3.26Å; G50-L139 WeakPolarHBondContact CA-O 3.14Å; G50-L139 PolarHBondContact O-N 2.84Å; L75-L139 HydrophobicContact CD1-CD2 3.94Å; L75-L139 HydrophobicContact CD2-CD1 4.04Å; L75-L139 HydrophobicContact CD2-CD2 3.87Å; G88-L139 WeakPolarHBondContact O-CA 3.21Å; L89-L139 HydrophobicContact CB-CD1 4.27Å; L89-L139 HydrophobicContact CD1-CD1 4.44Å; L139-G141 PolarHBondContact O-N 2.88Å; L139-G141 VanDerWaalsContact O-N 3.17Å; L139-Y144 HydrophobicContact CD1-CD1 4.09Å; L139-Y144 HydrophobicContact CD1-CD2 3.78Å; L139-Y144 HydrophobicContact CD1-CE2 4.3Å; L139-Y144 HydrophobicContact CD1-CG 3.67Å; L139-Y144 HydrophobicContact CD2-CD1 3.68Å; L139-Y144 HydrophobicContact CD2-CE1 3.8Å; L139-Y144 HydrophobicContact CD2-CG 4.15Å; L139-Y144 HydrophobicContact CG-CD1 4.02Å; L139-Y144 HydrophobicContact CG-CG 4.02Å; L139-L316 HydrophobicContact CD2-CD2 4.03Å; L139-L316 HydrophobicContact CG-CD2 4.39Å; L139-L316 WeakPolarHBondContact O-CD1 3.36Å |
| 140 | E | 97.9 | Very high | 98.3 | Very high | 23 Ų | 23 | 25.9 Ų | 25.9 | 11% | 0.107 | 12% | 0.123 | C | C | . | . | trans | -71.1 | 113 | -179.2 | -66.3 | -169 | 129.9 | 0 | 0 | 111.2 | G88 I138 K142 N143 Y144 G232 T233 | G88-E140 PolarHBondContact O-N 3.32Å; I138-E140 HydrophobicContact CG2-CG 3.87Å; E140-K142 VanDerWaalsContact C-N 3.3Å; E140-K142 PolarHBondContact O-N 3.23Å; E140-N143 HydrophobicContact CB-CB 4.36Å; E140-N143 PolarHBondContact O-N 2.61Å; E140-N143 VanDerWaalsContact O-N 3.12Å; E140-N143 PolarHBondContact OE2-ND2 3.04Å; E140-Y144 WeakPolarHBondContact O-CB 3.25Å; E140-Y144 PolarHBondContact O-N 2.97Å; E140-G232 WeakPolarHBondContact OE1-CA 3.47Å; E140-T233 HydrophobicContact CG-CG2 4.46Å; E140-T233 PolarHBondContact OE1-N 3.32Å; E140-T233 PolarHBondContact OE1-OG1 3.12Å; E140-T233 WeakPolarHBondContact OE2-CB 3.49Å; E140-T233 WeakPolarHBondContact OE2-CG2 3.25Å; E140-T233 PolarHBondContact OE2-OG1 3.07Å | ||
| 141 | G | 97.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 27.1 Ų | 27.1 | 4% | 0.041 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -52.5 | -44.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L139 N143 Y144 L145 | L139-G141 PolarHBondContact O-N 2.88Å; L139-G141 VanDerWaalsContact O-N 3.17Å; G141-N143 PolarHBondContact O-N 3.34Å; G141-Y144 PolarHBondContact O-N 3.19Å; G141-L145 WeakPolarHBondContact O-CB 3.36Å; G141-L145 VanDerWaalsContact O-CG 3.22Å; G141-L145 WeakPolarHBondContact O-CG 3.44Å; G141-L145 PolarHBondContact O-N 2.98Å |
| 142 | K | 96.5 | Very high | 98.3 | Very high | 98 Ų | 98 | 27 Ų | 27 | 43% | 0.426 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -58.9 | -47.8 | 179.4 | -173.8 | -178 | 176.6 | -174.6 | 0 | 112.7 | T40 P41 D46 E140 Q146 | T40-K142 HydrophobicContact CG2-CG 3.88Å; P41-K142 HydrophobicContact CB-CD 4.49Å; D46-K142 WeakPolarHBondContact OD1-CA 3.48Å; E140-K142 VanDerWaalsContact C-N 3.3Å; E140-K142 PolarHBondContact O-N 3.23Å; K142-Q146 WeakPolarHBondContact O-CG 3.33Å; K142-Q146 PolarHBondContact O-N 2.94Å |
| 143 | N | 97.8 | Very high | 98.3 | Very high | 36 Ų | 36 | 30.8 Ų | 30.8 | 19% | 0.193 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.7 | -42.6 | -178.3 | -56.9 | 15.2 | 0 | 0 | 0 | 110 | E140 G141 L145 Q146 W147 | E140-N143 HydrophobicContact CB-CB 4.36Å; E140-N143 PolarHBondContact O-N 2.61Å; E140-N143 VanDerWaalsContact O-N 3.12Å; E140-N143 PolarHBondContact OE2-ND2 3.04Å; G141-N143 PolarHBondContact O-N 3.34Å; N143-L145 PolarHBondContact O-N 2.84Å; N143-Q146 WeakPolarHBondContact O-CB 3.39Å; N143-Q146 PolarHBondContact O-N 3.14Å; N143-W147 PolarHBondContact O-N 3.39Å |
| 144 | Y | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.3 | -38.7 | -178.9 | -170.6 | -131.2 | 0 | 0 | 0 | 112.7 | V10 Y74 L87 L139 E140 G141 W147 L148 H319 | V10-Y144 HydrophobicContact CG2-CD1 3.89Å; V10-Y144 HydrophobicContact CG2-CE1 3.77Å; Y74-Y144 WeakPolarHBondContact CE1-OH 3.48Å; L87-Y144 HydrophobicContact CB-CD2 4.26Å; L87-Y144 HydrophobicContact CD2-CD2 4.32Å; L87-Y144 HydrophobicContact CD2-CE2 4.08Å; L87-Y144 HydrophobicContact CG-CD2 4.21Å; L87-Y144 HydrophobicContact CG-CE2 4.4Å; L87-Y144 WeakPolarHBondContact O-CB 3.44Å; L87-Y144 PolarHBondContact O-N 3.11Å; L139-Y144 HydrophobicContact CD1-CD1 4.09Å; L139-Y144 HydrophobicContact CD1-CD2 3.78Å; L139-Y144 HydrophobicContact CD1-CE2 4.3Å; L139-Y144 HydrophobicContact CD1-CG 3.67Å; L139-Y144 HydrophobicContact CD2-CD1 3.68Å; L139-Y144 HydrophobicContact CD2-CE1 3.8Å; L139-Y144 HydrophobicContact CD2-CG 4.15Å; L139-Y144 HydrophobicContact CG-CD1 4.02Å; L139-Y144 HydrophobicContact CG-CG 4.02Å; E140-Y144 WeakPolarHBondContact O-CB 3.25Å; E140-Y144 PolarHBondContact O-N 2.97Å; G141-Y144 PolarHBondContact O-N 3.19Å; Y144-W147 HydrophobicContact CD2-CE3 4.08Å; Y144-W147 AromaticContact CE2-CE3 3.75Å; Y144-W147 HydrophobicContact CE2-CE3 3.75Å; Y144-W147 AromaticContact CE2-CZ3 3.95Å; Y144-W147 HydrophobicContact CE2-CZ3 3.95Å; Y144-W147 PolarHBondContact O-N 3.15Å; Y144-L148 HydrophobicContact CD1-CD1 3.88Å; Y144-L148 HydrophobicContact CD1-CG 4.47Å; Y144-L148 HydrophobicContact CD2-CG 4.36Å; Y144-L148 HydrophobicContact CE1-CD1 3.61Å; Y144-L148 HydrophobicContact CE1-CG 4.23Å; Y144-L148 HydrophobicContact CE2-CD1 4.36Å; Y144-L148 HydrophobicContact CE2-CD2 4.21Å; Y144-L148 HydrophobicContact CE2-CG 4.08Å; Y144-L148 HydrophobicContact CG-CD1 4.38Å; Y144-L148 WeakPolarHBondContact O-CG 3.27Å; Y144-L148 PolarHBondContact O-N 3.49Å; Y144-H319 AromaticContact CE1-CD2 3.94Å; Y144-H319 AromaticContact CE1-CE1 3.76Å; Y144-H319 AromaticContact CE1-NE2 3.33Å; Y144-H319 VanDerWaalsContact CE1-NE2 3.33Å; Y144-H319 WeakPolarHBondContact CE1-NE2 3.47Å; Y144-H319 AromaticContact CZ-NE2 3.51Å; Y144-H319 PolarHBondContact OH-NE2 3.07Å |
| 145 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.3 | -42.1 | 174.4 | -69.8 | -176.4 | 0 | 0 | 0 | 112.2 | V10 L13 T40 T43 T45 G141 N143 W147 L148 T149 | V10-L145 HydrophobicContact CB-CD2 4.27Å; L13-L145 HydrophobicContact CD1-CB 4.27Å; L13-L145 HydrophobicContact CD1-CD2 3.68Å; L13-L145 HydrophobicContact CG-CD2 4.32Å; T40-L145 WeakPolarHBondContact OG1-CB 3.47Å; T40-L145 WeakPolarHBondContact OG1-CD1 3.28Å; T43-L145 HydrophobicContact CG2-CD1 4.35Å; T43-L145 WeakPolarHBondContact OG1-CD1 3.47Å; T45-L145 HydrophobicContact CG2-CD1 3.68Å; T45-L145 HydrophobicContact CG2-CD2 4.01Å; T45-L145 HydrophobicContact CG2-CG 3.76Å; G141-L145 WeakPolarHBondContact O-CB 3.36Å; G141-L145 VanDerWaalsContact O-CG 3.22Å; G141-L145 WeakPolarHBondContact O-CG 3.44Å; G141-L145 PolarHBondContact O-N 2.98Å; N143-L145 PolarHBondContact O-N 2.84Å; L145-W147 VanDerWaalsContact C-N 3.33Å; L145-W147 PolarHBondContact O-N 2.97Å; L145-L148 PolarHBondContact O-N 2.78Å; L145-T149 WeakPolarHBondContact O-CB 3.26Å; L145-T149 PolarHBondContact O-N 3.31Å; L145-T149 PolarHBondContact O-OG1 3.21Å |
| 146 | Q | 98.2 | Very high | 98.2 | Very high | 96 Ų | 96 | 39.3 Ų | 39.3 | 45% | 0.449 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.1 | -48.3 | 173.8 | -70.7 | 176.8 | -19.4 | 0 | 0 | 110.8 | T40 K142 N143 L148 T149 E150 | T40-Q146 HydrophobicContact CG2-CG 4.02Å; K142-Q146 WeakPolarHBondContact O-CG 3.33Å; K142-Q146 PolarHBondContact O-N 2.94Å; N143-Q146 WeakPolarHBondContact O-CB 3.39Å; N143-Q146 PolarHBondContact O-N 3.14Å; Q146-L148 PolarHBondContact O-N 2.67Å; Q146-T149 PolarHBondContact O-N 3.49Å; Q146-E150 WeakPolarHBondContact O-CG 3.3Å; Q146-E150 PolarHBondContact O-N 2.93Å |
| 147 | W | 98 | Very high | 98.2 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 11% | 0.106 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 177.6 | -177.2 | 84.7 | 0 | 0 | 0 | 112.3 | L17 L87 N143 Y144 L145 T149 E150 R151 | L17-W147 HydrophobicContact CD2-CZ3 4.28Å; L87-W147 HydrophobicContact CD1-CD2 3.91Å; L87-W147 HydrophobicContact CD1-CG 3.99Å; L87-W147 HydrophobicContact CD1-CZ2 4.13Å; L87-W147 HydrophobicContact CD2-CD2 4.43Å; L87-W147 HydrophobicContact CD2-CE3 4.45Å; L87-W147 HydrophobicContact CD2-CZ3 4.49Å; L87-W147 HydrophobicContact CG-CD2 3.79Å; L87-W147 HydrophobicContact CG-CE3 4.18Å; L87-W147 HydrophobicContact CG-CG 3.97Å; L87-W147 HydrophobicContact CG-CZ2 4.48Å; N143-W147 PolarHBondContact O-N 3.39Å; Y144-W147 HydrophobicContact CD2-CE3 4.08Å; Y144-W147 AromaticContact CE2-CE3 3.75Å; Y144-W147 HydrophobicContact CE2-CE3 3.75Å; Y144-W147 AromaticContact CE2-CZ3 3.95Å; Y144-W147 HydrophobicContact CE2-CZ3 3.95Å; Y144-W147 PolarHBondContact O-N 3.15Å; L145-W147 VanDerWaalsContact C-N 3.33Å; L145-W147 PolarHBondContact O-N 2.97Å; W147-T149 PolarHBondContact O-N 3.14Å; W147-E150 PolarHBondContact O-N 3.17Å; W147-R151 HydrophobicContact CD2-CG 3.85Å; W147-R151 HydrophobicContact CE3-CG 4.06Å; W147-R151 HydrophobicContact CH2-CG 3.85Å; W147-R151 HydrophobicContact CZ2-CG 3.61Å; W147-R151 HydrophobicContact CZ3-CG 4.06Å; W147-R151 VanDerWaalsContact O-CG 3.31Å; W147-R151 WeakPolarHBondContact O-CG 3.4Å; W147-R151 PolarHBondContact O-N 2.83Å |
| 148 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -42.7 | 178.2 | -73.1 | 172.5 | 0 | 0 | 0 | 111.9 | L13 L17 Y144 L145 Q146 R151 L152 | L13-L148 HydrophobicContact CB-CB 3.86Å; L13-L148 HydrophobicContact CB-CD1 3.78Å; L13-L148 HydrophobicContact CB-CG 4.43Å; L13-L148 HydrophobicContact CD1-CB 4.03Å; L17-L148 HydrophobicContact CD2-CD2 3.58Å; Y144-L148 HydrophobicContact CD1-CD1 3.88Å; Y144-L148 HydrophobicContact CD1-CG 4.47Å; Y144-L148 HydrophobicContact CD2-CG 4.36Å; Y144-L148 HydrophobicContact CE1-CD1 3.61Å; Y144-L148 HydrophobicContact CE1-CG 4.23Å; Y144-L148 HydrophobicContact CE2-CD1 4.36Å; Y144-L148 HydrophobicContact CE2-CD2 4.21Å; Y144-L148 HydrophobicContact CE2-CG 4.08Å; Y144-L148 HydrophobicContact CG-CD1 4.38Å; Y144-L148 WeakPolarHBondContact O-CG 3.27Å; Y144-L148 PolarHBondContact O-N 3.49Å; L145-L148 PolarHBondContact O-N 2.78Å; Q146-L148 PolarHBondContact O-N 2.67Å; L148-R151 PolarHBondContact O-N 2.89Å; L148-L152 WeakPolarHBondContact O-CB 3.17Å; L148-L152 VanDerWaalsContact O-CG 3.28Å; L148-L152 WeakPolarHBondContact O-CG 3.4Å; L148-L152 PolarHBondContact O-N 3.3Å |
| 149 | T | 98.7 | Very high | 98.2 | Very high | 39 Ų | 39 | 48 Ų | 48 | 24% | 0.239 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.8 | -43.1 | 176.2 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | L13 L145 Q146 W147 L152 T153 F159 | L13-T149 WeakPolarHBondContact CD1-OG1 3.45Å; L145-T149 WeakPolarHBondContact O-CB 3.26Å; L145-T149 PolarHBondContact O-N 3.31Å; L145-T149 PolarHBondContact O-OG1 3.21Å; Q146-T149 PolarHBondContact O-N 3.49Å; W147-T149 PolarHBondContact O-N 3.14Å; T149-L152 PolarHBondContact O-N 2.86Å; T149-T153 WeakPolarHBondContact O-CB 3.4Å; T149-T153 PolarHBondContact O-N 2.96Å; T149-T153 PolarHBondContact O-OG1 2.92Å; T149-F159 HydrophobicContact CG2-CD2 4.44Å; T149-F159 HydrophobicContact CG2-CE1 4.26Å; T149-F159 HydrophobicContact CG2-CE2 4.01Å; T149-F159 HydrophobicContact CG2-CZ 3.9Å |
| 150 | E | 98.1 | Very high | 98.2 | Very high | 107 Ų | 107 | 51.6 Ų | 51.6 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.3 | -50.5 | 174.9 | -72.9 | 174.1 | -175.6 | 0 | 0 | 111.1 | Q146 W147 L152 T153 E154 | Q146-E150 WeakPolarHBondContact O-CG 3.3Å; Q146-E150 PolarHBondContact O-N 2.93Å; W147-E150 PolarHBondContact O-N 3.17Å; E150-L152 VanDerWaalsContact C-N 3.29Å; E150-L152 PolarHBondContact O-N 2.74Å; E150-T153 PolarHBondContact O-N 2.9Å; E150-T153 VanDerWaalsContact O-N 3.13Å; E150-E154 WeakPolarHBondContact O-CG 3.29Å; E150-E154 PolarHBondContact O-N 3.11Å |
| 151 | R | 97.3 | Very high | 98.2 | Very high | 74 Ų | 74 | 58.4 Ų | 58.4 | 28% | 0.279 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.2 | -39.6 | 178.1 | -68.7 | -53.2 | -63.2 | 154.7 | 3.6 | 112.7 | L17 W147 L148 E154 R155 | L17-R151 HydrophobicContact CD1-CB 4.32Å; L17-R151 HydrophobicContact CD2-CB 4.49Å; W147-R151 HydrophobicContact CD2-CG 3.85Å; W147-R151 HydrophobicContact CE3-CG 4.06Å; W147-R151 HydrophobicContact CH2-CG 3.85Å; W147-R151 HydrophobicContact CZ2-CG 3.61Å; W147-R151 HydrophobicContact CZ3-CG 4.06Å; W147-R151 VanDerWaalsContact O-CG 3.31Å; W147-R151 WeakPolarHBondContact O-CG 3.4Å; W147-R151 PolarHBondContact O-N 2.83Å; L148-R151 PolarHBondContact O-N 2.89Å; R151-E154 IonicContact CZ-OE2 3.76Å; R151-E154 IonicContact NH1-OE2 3.43Å; R151-E154 PolarHBondContact NH1-OE2 3.14Å; R151-R155 VanDerWaalsContact NH2-CZ 3.28Å; R151-R155 WeakPolarHBondContact O-CD 3.47Å; R151-R155 WeakPolarHBondContact O-CG 3.4Å; R151-R155 PolarHBondContact O-N 3.33Å; R151-R155 PolarHBondContact O-NH1 3.44Å |
| 152 | L | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.1 | -41.5 | 176.9 | -78.7 | 168 | 0 | 0 | 0 | 111.7 | L13 A16 L17 L148 T149 E150 R155 G156 V157 F159 | L13-L152 HydrophobicContact CB-CD1 4.21Å; L13-L152 HydrophobicContact CD2-CD1 4.03Å; A16-L152 HydrophobicContact CB-CD1 4.12Å; A16-L152 HydrophobicContact CB-CD2 3.92Å; L17-L152 HydrophobicContact CB-CD2 4.05Å; L17-L152 HydrophobicContact CB-CG 4.38Å; L17-L152 HydrophobicContact CD1-CD2 4.21Å; L17-L152 HydrophobicContact CD1-CG 4.45Å; L148-L152 WeakPolarHBondContact O-CB 3.17Å; L148-L152 VanDerWaalsContact O-CG 3.28Å; L148-L152 WeakPolarHBondContact O-CG 3.4Å; L148-L152 PolarHBondContact O-N 3.3Å; T149-L152 PolarHBondContact O-N 2.86Å; E150-L152 VanDerWaalsContact C-N 3.29Å; E150-L152 PolarHBondContact O-N 2.74Å; L152-R155 CarbonylContact O-C 3.6Å; L152-R155 WeakPolarHBondContact O-CA 3.36Å; L152-R155 WeakPolarHBondContact O-CB 3.41Å; L152-R155 PolarHBondContact O-N 2.93Å; L152-R155 VanDerWaalsContact O-N 3.09Å; L152-G156 PolarHBondContact O-N 3.49Å; L152-V157 HydrophobicContact CB-CB 4.04Å; L152-V157 HydrophobicContact CB-CG1 4.4Å; L152-V157 HydrophobicContact CB-CG2 4.43Å; L152-V157 HydrophobicContact CD2-CB 4.12Å; L152-V157 HydrophobicContact CD2-CG1 4.22Å; L152-V157 HydrophobicContact CD2-CG2 3.76Å; L152-V157 WeakPolarHBondContact O-CB 3.47Å; L152-V157 PolarHBondContact O-N 3.12Å; L152-F159 HydrophobicContact CB-CE2 3.97Å; L152-F159 HydrophobicContact CB-CZ 3.62Å; L152-F159 HydrophobicContact CD1-CE1 4.33Å; L152-F159 HydrophobicContact CD1-CZ 3.79Å; L152-F159 HydrophobicContact CG-CZ 4.36Å |
| 153 | T | 98.6 | Very high | 98.3 | Very high | 80 Ų | 80 | 62.2 Ų | 62.2 | 49% | 0.491 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.9 | -44.5 | 178.3 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | T149 E150 R155 G156 F159 | T149-T153 WeakPolarHBondContact O-CB 3.4Å; T149-T153 PolarHBondContact O-N 2.96Å; T149-T153 PolarHBondContact O-OG1 2.92Å; E150-T153 PolarHBondContact O-N 2.9Å; E150-T153 VanDerWaalsContact O-N 3.13Å; T153-R155 PolarHBondContact O-N 3.43Å; T153-G156 PolarHBondContact O-N 3.42Å; T153-F159 WeakPolarHBondContact OG1-CE2 3.44Å |
| 154 | E | 98 | Very high | 98.3 | Very high | 130 Ų | 130 | 61.3 Ų | 61.3 | 61% | 0.607 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59.6 | -26 | 174.6 | -71.8 | 174 | -174.1 | 0 | 0 | 113.1 | E150 R151 G156 | E150-E154 WeakPolarHBondContact O-CG 3.29Å; E150-E154 PolarHBondContact O-N 3.11Å; R151-E154 IonicContact CZ-OE2 3.76Å; R151-E154 IonicContact NH1-OE2 3.43Å; R151-E154 PolarHBondContact NH1-OE2 3.14Å; E154-G156 VanDerWaalsContact C-N 3.32Å |
| 155 | R | 97.6 | Very high | 98.3 | Very high | 57 Ų | 57 | 66.6 Ų | 66.6 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 4.3 | 176.4 | -74.5 | 170.6 | 177.1 | 77.9 | -6.5 | 113.3 | H20 E21 R151 L152 T153 V157 | H20-R155 PolarHBondContact NE2-O 3.49Å; E21-R155 IonicContact OE1-CZ 3.51Å; E21-R155 IonicContact OE1-NE 2.75Å; E21-R155 IonicContact OE1-NH2 2.84Å; E21-R155 PolarHBondContact OE1-NH2 3.05Å; R151-R155 VanDerWaalsContact NH2-CZ 3.28Å; R151-R155 WeakPolarHBondContact O-CD 3.47Å; R151-R155 WeakPolarHBondContact O-CG 3.4Å; R151-R155 PolarHBondContact O-N 3.33Å; R151-R155 PolarHBondContact O-NH1 3.44Å; L152-R155 CarbonylContact O-C 3.6Å; L152-R155 WeakPolarHBondContact O-CA 3.36Å; L152-R155 WeakPolarHBondContact O-CB 3.41Å; L152-R155 PolarHBondContact O-N 2.93Å; L152-R155 VanDerWaalsContact O-N 3.09Å; T153-R155 PolarHBondContact O-N 3.43Å; R155-V157 VanDerWaalsContact C-N 3.32Å; R155-V157 PolarHBondContact O-N 3.43Å |
| 156 | G | 97.8 | Very high | 98.3 | Very high | 52 Ų | 52 | 68.4 Ų | 68.4 | 54% | 0.536 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 10.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L152 T153 E154 | L152-G156 PolarHBondContact O-N 3.49Å; T153-G156 PolarHBondContact O-N 3.42Å; E154-G156 VanDerWaalsContact C-N 3.32Å |
| 157 | V | 98.6 | Very high | 98.3 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | trans | -69.8 | 132.8 | 172 | 178.4 | 0 | 0 | 0 | 0 | 109.1 | I32 V34 L152 R155 | I32-V157 HydrophobicContact CB-CG1 4.29Å; I32-V157 HydrophobicContact CB-CG2 4.11Å; I32-V157 HydrophobicContact CG2-CG1 4.03Å; I32-V157 HydrophobicContact CG2-CG2 4.44Å; V34-V157 HydrophobicContact CG2-CG1 4Å; L152-V157 HydrophobicContact CB-CB 4.04Å; L152-V157 HydrophobicContact CB-CG1 4.4Å; L152-V157 HydrophobicContact CB-CG2 4.43Å; L152-V157 HydrophobicContact CD2-CB 4.12Å; L152-V157 HydrophobicContact CD2-CG1 4.22Å; L152-V157 HydrophobicContact CD2-CG2 3.76Å; L152-V157 WeakPolarHBondContact O-CB 3.47Å; L152-V157 PolarHBondContact O-N 3.12Å; R155-V157 VanDerWaalsContact C-N 3.32Å; R155-V157 PolarHBondContact O-N 3.43Å | ||
| 158 | K | 98.4 | Very high | 98.2 | Very high | 121 Ų | 121 | 66.3 Ų | 66.3 | 53% | 0.526 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 140.7 | -175.4 | -63.5 | 176.6 | -175.3 | 173.7 | 0 | 111.4 | I32 K33 V34 F160 | I32-K158 PolarHBondContact O-N 3.02Å; K33-K158 CarbonylContact C-O 3.51Å; K33-K158 VanDerWaalsContact CA-O 3.32Å; K33-K158 WeakPolarHBondContact CA-O 3.41Å; V34-K158 PolarHBondContact N-O 3.31Å; K158-F160 HydrophobicContact CB-CD2 4.48Å; K158-F160 HydrophobicContact CB-CE2 3.51Å; K158-F160 HydrophobicContact CB-CZ 3.87Å; K158-F160 HydrophobicContact CD-CZ 4.39Å |
| 159 | F | 98.8 | Very high | 98.1 | Very high | 54 Ų | 54 | 68.6 Ų | 68.6 | 24% | 0.237 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 138.9 | -178.5 | -65.4 | -91.3 | 0 | 0 | 0 | 111 | L13 V34 F39 T149 L152 T153 | L13-F159 HydrophobicContact CD2-CE1 3.71Å; L13-F159 HydrophobicContact CD2-CZ 4.45Å; V34-F159 HydrophobicContact CB-CD1 3.59Å; V34-F159 HydrophobicContact CB-CE1 3.79Å; V34-F159 HydrophobicContact CB-CG 4.45Å; V34-F159 HydrophobicContact CG1-CD1 3.92Å; V34-F159 HydrophobicContact CG1-CE1 4.06Å; V34-F159 HydrophobicContact CG2-CD1 4.08Å; V34-F159 HydrophobicContact CG2-CE1 3.76Å; V34-F159 HydrophobicContact CG2-CZ 4.39Å; V34-F159 WeakPolarHBondContact O-CA 3.35Å; F39-F159 HydrophobicContact CE1-CB 4.42Å; F39-F159 AromaticContact CE1-CD1 3.83Å; F39-F159 HydrophobicContact CE1-CD1 3.83Å; F39-F159 HydrophobicContact CZ-CB 4.5Å; T149-F159 HydrophobicContact CG2-CD2 4.44Å; T149-F159 HydrophobicContact CG2-CE1 4.26Å; T149-F159 HydrophobicContact CG2-CE2 4.01Å; T149-F159 HydrophobicContact CG2-CZ 3.9Å; L152-F159 HydrophobicContact CB-CE2 3.97Å; L152-F159 HydrophobicContact CB-CZ 3.62Å; L152-F159 HydrophobicContact CD1-CE1 4.33Å; L152-F159 HydrophobicContact CD1-CZ 3.79Å; L152-F159 HydrophobicContact CG-CZ 4.36Å; T153-F159 WeakPolarHBondContact OG1-CE2 3.44Å |
| 160 | F | 98.8 | Very high | 98.1 | Very high | 77 Ų | 77 | 66.7 Ų | 66.7 | 34% | 0.338 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 124.2 | -179 | -57.7 | -95.4 | 0 | 0 | 0 | 110.4 | K33 V34 Y35 A36 K158 R162 | K33-F160 HydrophobicContact CB-CD2 4.21Å; K33-F160 HydrophobicContact CB-CE2 3.9Å; K33-F160 HydrophobicContact CD-CE2 3.71Å; K33-F160 HydrophobicContact CD-CZ 4.19Å; K33-F160 HydrophobicContact CG-CE2 3.79Å; V34-F160 PolarHBondContact O-N 3.25Å; Y35-F160 HydrophobicContact CD1-CB 3.69Å; Y35-F160 AromaticContact CD1-CD2 3.69Å; Y35-F160 HydrophobicContact CD1-CD2 3.69Å; Y35-F160 AromaticContact CD1-CG 3.96Å; Y35-F160 HydrophobicContact CD1-CG 3.96Å; Y35-F160 HydrophobicContact CE1-CB 3.93Å; Y35-F160 AromaticContact CE1-CD2 3.42Å; Y35-F160 HydrophobicContact CE1-CD2 3.42Å; Y35-F160 VanDerWaalsContact CE1-CD2 3.42Å; Y35-F160 HydrophobicContact CE1-CE2 4.07Å; Y35-F160 AromaticContact CE1-CG 3.74Å; Y35-F160 HydrophobicContact CE1-CG 3.74Å; A36-F160 PolarHBondContact N-O 3.45Å; A36-F160 VanDerWaalsContact N-O 3.14Å; K158-F160 HydrophobicContact CB-CD2 4.48Å; K158-F160 HydrophobicContact CB-CE2 3.51Å; K158-F160 HydrophobicContact CB-CZ 3.87Å; K158-F160 HydrophobicContact CD-CZ 4.39Å; F160-R162 PolarHBondContact O-N 3.35Å |
| 161 | Q | 98.4 | Very high | 98.1 | Very high | 166 Ų | 166 | 62.1 Ų | 62.1 | 78% | 0.776 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 103.3 | 170.4 | -170.3 | 173.6 | 5.6 | 0 | 0 | 109.8 | A36 F39 | A36-Q161 CarbonylContact O-C 3.56Å; A36-Q161 VanDerWaalsContact O-CA 3.31Å; A36-Q161 WeakPolarHBondContact O-CA 3.17Å; F39-Q161 HydrophobicContact CE2-CB 4.18Å; F39-Q161 HydrophobicContact CE2-CG 4.5Å |
| 162 | R | 97.2 | Very high | 98 | Very high | 60 Ų | 60 | 66.7 Ų | 66.7 | 23% | 0.226 | 32% | 0.321 | C | S | . | . | trans | -154 | 129.4 | -171.9 | -179.5 | 176.7 | 176.1 | 165.6 | 2.9 | 111.1 | A36 D37 F160 V164 E169 E173 | A36-R162 CarbonylContact C-O 3.56Å; A36-R162 PolarHBondContact O-N 3.02Å; D37-R162 PolarHBondContact N-O 3.43Å; F160-R162 PolarHBondContact O-N 3.35Å; R162-V164 HydrophobicContact CG-CG2 4.48Å; R162-E169 IonicContact CZ-OE1 2.77Å; R162-E169 IonicContact NE-OE1 3.92Å; R162-E169 PolarHBondContact NE-OE1 2.83Å; R162-E169 IonicContact NH2-OE1 3.84Å; R162-E169 PolarHBondContact NH2-OE1 3.07Å; R162-E173 IonicContact CZ-OE1 2.84Å; R162-E173 IonicContact CZ-OE2 3.08Å; R162-E173 IonicContact NH1-OE1 3.79Å; R162-E173 PolarHBondContact NH1-OE1 3.19Å; R162-E173 IonicContact NH1-OE2 3.29Å; R162-E173 PolarHBondContact NH1-OE2 3.28Å; R162-E173 IonicContact NH2-OE1 3.97Å; R162-E173 PolarHBondContact NH2-OE1 2.92Å; R162-E173 IonicContact NH2-OE2 2.71Å | ||
| 163 | K | 98.5 | Very high | 97.8 | Very high | 123 Ų | 123 | 71.3 Ų | 71.3 | 54% | 0.535 | 34% | 0.343 | S | S | . | . | trans | -83.1 | 117.6 | 162.2 | -172 | 177.5 | 175.2 | -122.8 | 0 | 108.3 | D37 E165 | D37-K163 HydrophobicContact CB-CB 4.05Å; K163-E165 WeakPolarHBondContact CD-OE1 3.35Å; K163-E165 WeakPolarHBondContact CE-OE1 3.33Å; K163-E165 VanDerWaalsContact NZ-CD 3.31Å; K163-E165 IonicContact NZ-OE1 2.77Å; K163-E165 PolarHBondContact NZ-OE1 2.89Å; K163-E165 IonicContact NZ-OE2 2.86Å; K163-E165 PolarHBondContact NZ-OE2 2.86Å | ||
| 164 | V | 98.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 68.2 Ų | 68.2 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | trans | -85.2 | 128.2 | 174.7 | 176.8 | 0 | 0 | 0 | 0 | 107.8 | I6 Y35 R162 S166 E169 V170 L189 | I6-V164 HydrophobicContact CD1-CB 4.47Å; I6-V164 HydrophobicContact CD1-CG1 4.06Å; I6-V164 HydrophobicContact CD1-CG2 4.3Å; I6-V164 HydrophobicContact CG1-CG2 4.4Å; I6-V164 HydrophobicContact CG2-CB 4.28Å; I6-V164 HydrophobicContact CG2-CG2 3.97Å; Y35-V164 HydrophobicContact CD2-CG2 4.08Å; R162-V164 HydrophobicContact CG-CG2 4.48Å; V164-S166 VanDerWaalsContact CG1-O 3.24Å; V164-S166 WeakPolarHBondContact CG1-O 3.34Å; V164-E169 WeakPolarHBondContact CA-OE1 3.31Å; V164-E169 HydrophobicContact CG1-CG 4.33Å; V164-V170 HydrophobicContact CG1-CG2 3.54Å; V164-V170 HydrophobicContact CG2-CG2 4.13Å; V164-L189 HydrophobicContact CB-CD2 4.39Å; V164-L189 HydrophobicContact CG1-CD2 3.96Å; V164-L189 WeakPolarHBondContact O-CD2 3.24Å | ||
| 165 | E | 98.4 | Very high | 97.6 | Very high | 111 Ų | 111 | 62.4 Ų | 62.4 | 52% | 0.519 | 30% | 0.3 | S | S | . | . | trans | -98.5 | -17.3 | -178.6 | -58.7 | -68.1 | 171.8 | 0 | 0 | 112.6 | K163 E169 | K163-E165 WeakPolarHBondContact CD-OE1 3.35Å; K163-E165 WeakPolarHBondContact CE-OE1 3.33Å; K163-E165 VanDerWaalsContact NZ-CD 3.31Å; K163-E165 IonicContact NZ-OE1 2.77Å; K163-E165 PolarHBondContact NZ-OE1 2.89Å; K163-E165 IonicContact NZ-OE2 2.86Å; K163-E165 PolarHBondContact NZ-OE2 2.86Å; E165-E169 PolarHBondContact N-OE1 2.9Å | ||
| 166 | S | 98.3 | Very high | 97.6 | Very high | 39 Ų | 39 | 61.6 Ų | 61.6 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | trans | -161.7 | 159.5 | 172.8 | 64.7 | 0 | 0 | 0 | 0 | 112 | V164 E168 E169 | V164-S166 VanDerWaalsContact CG1-O 3.24Å; V164-S166 WeakPolarHBondContact CG1-O 3.34Å; S166-E168 PolarHBondContact O-N 2.83Å; S166-E168 PolarHBondContact OG-N 3.2Å; S166-E169 WeakPolarHBondContact O-CG 3.42Å; S166-E169 PolarHBondContact OG-N 2.9Å | ||
| 167 | F | 98.3 | Very high | 97.6 | Very high | 8 Ų | 8 | 59.1 Ų | 59.1 | 4% | 0.035 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.9 | -27.4 | 167.3 | -61.8 | -50.4 | 0 | 0 | 0 | 112.4 | I6 V170 A171 I178 N180 L189 Q190 L296 V305 | I6-F167 HydrophobicContact CD1-CD1 4.13Å; I6-F167 HydrophobicContact CD1-CE1 4.12Å; F167-V170 PolarHBondContact O-N 2.98Å; F167-A171 WeakPolarHBondContact O-CB 3.36Å; F167-A171 PolarHBondContact O-N 2.93Å; F167-I178 HydrophobicContact CB-CD1 4.04Å; F167-I178 HydrophobicContact CD1-CD1 4.26Å; F167-I178 HydrophobicContact CD1-CG2 3.96Å; F167-I178 HydrophobicContact CE1-CG2 4.23Å; F167-I178 WeakPolarHBondContact O-CD1 3.47Å; F167-N180 HydrophobicContact CE1-CB 3.92Å; F167-N180 HydrophobicContact CZ-CB 4.01Å; F167-N180 WeakPolarHBondContact CZ-ND2 3.28Å; F167-L189 HydrophobicContact CD1-CD1 4.22Å; F167-L189 HydrophobicContact CE1-CB 3.99Å; F167-L189 HydrophobicContact CE1-CD1 3.54Å; F167-L189 HydrophobicContact CE1-CG 4.39Å; F167-L189 HydrophobicContact CE2-CB 3.92Å; F167-L189 HydrophobicContact CZ-CB 3.6Å; F167-L189 HydrophobicContact CZ-CD1 3.94Å; F167-L189 HydrophobicContact CZ-CG 4.43Å; F167-Q190 HydrophobicContact CE2-CB 3.96Å; F167-L296 HydrophobicContact CB-CD2 3.49Å; F167-L296 VanDerWaalsContact CB-CD2 3.49Å; F167-V305 HydrophobicContact CE1-CG1 4.48Å; F167-V305 HydrophobicContact CZ-CG1 4.46Å |
| 168 | E | 97.2 | Very high | 97.6 | Very high | 72 Ų | 72 | 58.8 Ų | 58.8 | 34% | 0.336 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.8 | -40.8 | -178.1 | -170.3 | 177.8 | -146.3 | 0 | 0 | 112.6 | S166 V170 A171 R172 V298 | S166-E168 PolarHBondContact O-N 2.83Å; S166-E168 PolarHBondContact OG-N 3.2Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 3.35Å; E168-A171 PolarHBondContact O-N 3.17Å; E168-R172 HydrophobicContact CG-CG 4.44Å; E168-R172 WeakPolarHBondContact O-CB 3.49Å; E168-R172 WeakPolarHBondContact O-CG 3.27Å; E168-R172 PolarHBondContact O-N 2.72Å; E168-R172 IonicContact OE1-CZ 2.76Å; E168-R172 IonicContact OE1-NE 3.18Å; E168-R172 IonicContact OE1-NH1 3.87Å; E168-R172 IonicContact OE1-NH2 2.69Å; E168-R172 PolarHBondContact OE1-NH2 3.22Å; E168-R172 IonicContact OE2-CZ 3.14Å; E168-R172 VanDerWaalsContact OE2-CZ 3.23Å; E168-R172 IonicContact OE2-NH1 3.73Å; E168-R172 PolarHBondContact OE2-NH1 2.8Å; E168-R172 IonicContact OE2-NH2 3.78Å; E168-R172 PolarHBondContact OE2-NH2 3.21Å; E168-R172 VanDerWaalsContact OE2-NH2 3.12Å; E168-V298 HydrophobicContact CB-CG2 4.46Å; E168-V298 HydrophobicContact CG-CB 4.5Å; E168-V298 HydrophobicContact CG-CG1 3.65Å; E168-V298 HydrophobicContact CG-CG2 4.05Å |
| 169 | E | 96.8 | Very high | 97.6 | Very high | 47 Ų | 47 | 53 Ų | 53 | 22% | 0.22 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.7 | -40.9 | 176.2 | 57.8 | 164.7 | -127.1 | 0 | 0 | 112.1 | R162 V164 E165 S166 R172 E173 | R162-E169 IonicContact CZ-OE1 2.77Å; R162-E169 IonicContact NE-OE1 3.92Å; R162-E169 PolarHBondContact NE-OE1 2.83Å; R162-E169 IonicContact NH2-OE1 3.84Å; R162-E169 PolarHBondContact NH2-OE1 3.07Å; V164-E169 WeakPolarHBondContact CA-OE1 3.31Å; V164-E169 HydrophobicContact CG1-CG 4.33Å; E165-E169 PolarHBondContact N-OE1 2.9Å; S166-E169 WeakPolarHBondContact O-CG 3.42Å; S166-E169 PolarHBondContact OG-N 2.9Å; E169-R172 PolarHBondContact O-N 2.83Å; E169-E173 WeakPolarHBondContact O-CG 3.37Å; E169-E173 PolarHBondContact O-N 3.32Å; E169-E173 VanDerWaalsContact O-N 3.16Å |
| 170 | V | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.9 | -39.8 | 179.4 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | V4 I6 Y35 V164 F167 E168 E173 A175 I178 | V4-V170 HydrophobicContact CB-CG1 3.69Å; V4-V170 HydrophobicContact CG1-CG1 3.68Å; V4-V170 HydrophobicContact CG2-CG1 3.84Å; I6-V170 HydrophobicContact CD1-CG2 4.33Å; Y35-V170 HydrophobicContact CD2-CG2 4.5Å; V164-V170 HydrophobicContact CG1-CG2 3.54Å; V164-V170 HydrophobicContact CG2-CG2 4.13Å; F167-V170 PolarHBondContact O-N 2.98Å; E168-V170 VanDerWaalsContact C-N 3.33Å; E168-V170 PolarHBondContact O-N 3.35Å; V170-E173 PolarHBondContact O-N 3.07Å; V170-A175 HydrophobicContact CG1-CB 3.73Å; V170-A175 WeakPolarHBondContact O-CB 3.18Å; V170-A175 PolarHBondContact O-N 2.8Å; V170-I178 HydrophobicContact CB-CD1 3.83Å; V170-I178 HydrophobicContact CB-CG1 4.38Å; V170-I178 HydrophobicContact CG1-CD1 3.82Å; V170-I178 HydrophobicContact CG1-CG1 3.81Å |
| 171 | A | 97.1 | Very high | 97.6 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -44.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | F167 E168 E173 G174 V298 T303 | F167-A171 WeakPolarHBondContact O-CB 3.36Å; F167-A171 PolarHBondContact O-N 2.93Å; E168-A171 PolarHBondContact O-N 3.17Å; A171-E173 VanDerWaalsContact C-N 3.25Å; A171-E173 PolarHBondContact O-N 3.49Å; A171-G174 WeakPolarHBondContact O-CA 3.48Å; A171-G174 PolarHBondContact O-N 2.89Å; A171-V298 HydrophobicContact CB-CB 4.15Å; A171-V298 HydrophobicContact CB-CG1 4.32Å; A171-V298 HydrophobicContact CB-CG2 3.74Å; A171-T303 HydrophobicContact CB-CG2 4.05Å; A171-T303 VanDerWaalsContact CB-OG1 3.31Å; A171-T303 WeakPolarHBondContact CB-OG1 3.37Å |
| 172 | R | 95.9 | Very high | 97.7 | Very high | 169 Ų | 169 | 40.6 Ų | 40.6 | 64% | 0.638 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -64.9 | -27 | 178.6 | -75.4 | 179.2 | 178.5 | 139.7 | -5 | 113.3 | E168 E169 G174 V298 | E168-R172 HydrophobicContact CG-CG 4.44Å; E168-R172 WeakPolarHBondContact O-CB 3.49Å; E168-R172 WeakPolarHBondContact O-CG 3.27Å; E168-R172 PolarHBondContact O-N 2.72Å; E168-R172 IonicContact OE1-CZ 2.76Å; E168-R172 IonicContact OE1-NE 3.18Å; E168-R172 IonicContact OE1-NH1 3.87Å; E168-R172 IonicContact OE1-NH2 2.69Å; E168-R172 PolarHBondContact OE1-NH2 3.22Å; E168-R172 IonicContact OE2-CZ 3.14Å; E168-R172 VanDerWaalsContact OE2-CZ 3.23Å; E168-R172 IonicContact OE2-NH1 3.73Å; E168-R172 PolarHBondContact OE2-NH1 2.8Å; E168-R172 IonicContact OE2-NH2 3.78Å; E168-R172 PolarHBondContact OE2-NH2 3.21Å; E168-R172 VanDerWaalsContact OE2-NH2 3.12Å; E169-R172 PolarHBondContact O-N 2.83Å; R172-G174 PolarHBondContact O-N 2.77Å; R172-V298 HydrophobicContact CG-CG1 3.84Å |
| 173 | E | 95.3 | Very high | 97.7 | Very high | 98 Ų | 98 | 38.7 Ų | 38.7 | 46% | 0.458 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -6.1 | 170.1 | -72.8 | 174.3 | -164.4 | 0 | 0 | 113.5 | Y35 R162 E169 V170 A171 | Y35-E173 PolarHBondContact OH-OE2 2.87Å; R162-E173 IonicContact CZ-OE1 2.84Å; R162-E173 IonicContact CZ-OE2 3.08Å; R162-E173 IonicContact NH1-OE1 3.79Å; R162-E173 PolarHBondContact NH1-OE1 3.19Å; R162-E173 IonicContact NH1-OE2 3.29Å; R162-E173 PolarHBondContact NH1-OE2 3.28Å; R162-E173 IonicContact NH2-OE1 3.97Å; R162-E173 PolarHBondContact NH2-OE1 2.92Å; R162-E173 IonicContact NH2-OE2 2.71Å; E169-E173 WeakPolarHBondContact O-CG 3.37Å; E169-E173 PolarHBondContact O-N 3.32Å; E169-E173 VanDerWaalsContact O-N 3.16Å; V170-E173 PolarHBondContact O-N 3.07Å; A171-E173 VanDerWaalsContact C-N 3.25Å; A171-E173 PolarHBondContact O-N 3.49Å |
| 174 | G | 95.3 | Very high | 97.8 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 16% | 0.155 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | 24.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R2 A171 R172 D176 | R2-G174 WeakPolarHBondContact CD-O 3.42Å; R2-G174 PolarHBondContact NE-O 3.42Å; R2-G174 PolarHBondContact NH1-O 3.37Å; R2-G174 PolarHBondContact NH2-O 3.32Å; A171-G174 WeakPolarHBondContact O-CA 3.48Å; A171-G174 PolarHBondContact O-N 2.89Å; R172-G174 PolarHBondContact O-N 2.77Å; G174-D176 PolarHBondContact O-N 2.85Å |
| 175 | A | 97.1 | Very high | 97.8 | Very high | 7 Ų | 7 | 38 Ų | 38 | 6% | 0.058 | 19% | 0.187 | C | C | . | . | trans | -61.9 | 125.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | V4 V170 I178 T303 | V4-A175 HydrophobicContact CB-CB 4.29Å; V4-A175 HydrophobicContact CG2-CB 3.82Å; V170-A175 HydrophobicContact CG1-CB 3.73Å; V170-A175 WeakPolarHBondContact O-CB 3.18Å; V170-A175 PolarHBondContact O-N 2.8Å; A175-I178 HydrophobicContact CB-CG1 3.96Å; A175-T303 WeakPolarHBondContact O-CG2 3.5Å | ||
| 176 | D | 96.3 | Very high | 97.8 | Very high | 41 Ų | 41 | 32.7 Ų | 32.7 | 22% | 0.219 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -83.4 | -31.5 | 173.4 | -52.9 | -44.3 | 0 | 0 | 0 | 110.3 | M1 R2 G174 E304 | M1-D176 VanDerWaalsContact CA-OD2 3.29Å; M1-D176 WeakPolarHBondContact CA-OD2 3.43Å; M1-D176 HydrophobicContact SD-CB 3.43Å; M1-D176 WeakPolarHBondContact SD-CB 3.41Å; R2-D176 IonicContact CZ-OD1 3.87Å; R2-D176 PolarHBondContact N-OD2 2.93Å; R2-D176 IonicContact NE-OD1 2.83Å; R2-D176 IonicContact NE-OD2 3.22Å; R2-D176 IonicContact NH2-OD1 2.72Å; R2-D176 PolarHBondContact NH2-OD1 2.87Å; R2-D176 PolarHBondContact O-N 2.99Å; G174-D176 PolarHBondContact O-N 2.85Å; D176-E304 PolarHBondContact O-N 3.16Å |
| 177 | V | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 133 | 175.1 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | R2 V3 V4 E304 I306 F330 I333 | R2-V177 PolarHBondContact O-N 2.91Å; V3-V177 WeakPolarHBondContact CA-O 3.43Å; V3-V177 HydrophobicContact CG2-CB 4.45Å; V4-V177 PolarHBondContact N-O 2.77Å; V177-E304 CarbonylContact C-O 3.47Å; V177-E304 WeakPolarHBondContact CA-O 3.37Å; V177-E304 HydrophobicContact CB-CB 4.5Å; V177-E304 HydrophobicContact CG1-CB 4.27Å; V177-E304 HydrophobicContact CG2-CB 4.16Å; V177-I306 HydrophobicContact CG1-CD1 4.18Å; V177-I306 HydrophobicContact CG1-CG1 4.44Å; V177-F330 HydrophobicContact CB-CD2 4.45Å; V177-F330 HydrophobicContact CB-CE2 4.25Å; V177-F330 HydrophobicContact CG1-CD2 4.19Å; V177-F330 HydrophobicContact CG1-CE2 4.48Å; V177-F330 HydrophobicContact CG2-CD2 4.15Å; V177-F330 HydrophobicContact CG2-CE2 3.84Å; V177-I333 HydrophobicContact CG1-CD1 4.32Å; V177-I333 HydrophobicContact CG2-CD1 4.41Å; V177-I333 HydrophobicContact CG2-CG2 4.3Å |
| 178 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129.7 | 170.4 | -60.2 | 171.3 | 0 | 0 | 0 | 108 | V4 I6 F167 V170 A175 T303 E304 V305 I306 | V4-I178 CarbonylContact O-C 3.08Å; V4-I178 WeakPolarHBondContact O-CA 3.39Å; I6-I178 HydrophobicContact CD1-CG2 3.52Å; I6-I178 HydrophobicContact CG1-CG2 4.03Å; F167-I178 HydrophobicContact CB-CD1 4.04Å; F167-I178 HydrophobicContact CD1-CD1 4.26Å; F167-I178 HydrophobicContact CD1-CG2 3.96Å; F167-I178 HydrophobicContact CE1-CG2 4.23Å; F167-I178 WeakPolarHBondContact O-CD1 3.47Å; V170-I178 HydrophobicContact CB-CD1 3.83Å; V170-I178 HydrophobicContact CB-CG1 4.38Å; V170-I178 HydrophobicContact CG1-CD1 3.82Å; V170-I178 HydrophobicContact CG1-CG1 3.81Å; A175-I178 HydrophobicContact CB-CG1 3.96Å; I178-T303 HydrophobicContact CD1-CG2 3.91Å; I178-T303 HydrophobicContact CG1-CG2 4.01Å; I178-E304 PolarHBondContact N-O 2.9Å; I178-V305 HydrophobicContact CB-CG2 4.37Å; I178-V305 CarbonylContact O-C 3.56Å; I178-V305 VanDerWaalsContact O-CA 3.27Å; I178-V305 WeakPolarHBondContact O-CA 3.34Å; I178-I306 PolarHBondContact O-N 2.8Å |
| 179 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 109.3 | 170.8 | -171.7 | 0 | 0 | 0 | 0 | 107.7 | V3 V4 V5 I6 T15 I19 C181 I306 | V3-V179 HydrophobicContact CG1-CG2 3.91Å; V4-V179 PolarHBondContact O-N 2.76Å; V5-V179 WeakPolarHBondContact CA-O 3.41Å; V5-V179 HydrophobicContact CB-CB 4.35Å; V5-V179 HydrophobicContact CG1-CB 4.23Å; V5-V179 HydrophobicContact CG1-CG1 4.48Å; V5-V179 HydrophobicContact CG2-CB 4.02Å; V5-V179 HydrophobicContact CG2-CG2 4.14Å; I6-V179 PolarHBondContact N-O 2.69Å; T15-V179 HydrophobicContact CG2-CG1 3.72Å; I19-V179 HydrophobicContact CD1-CG2 3.92Å; V179-C181 PolarHBondContact O-N 3.12Å; V179-I306 CarbonylContact C-O 3.58Å; V179-I306 WeakPolarHBondContact CA-O 3.4Å |
| 180 | N | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 100.4 | -177.7 | 176.5 | 18.7 | 0 | 0 | 0 | 110.9 | F167 T182 V305 I306 H307 N308 | F167-N180 HydrophobicContact CE1-CB 3.92Å; F167-N180 HydrophobicContact CZ-CB 4.01Å; F167-N180 WeakPolarHBondContact CZ-ND2 3.28Å; N180-T182 WeakPolarHBondContact OD1-CB 3.39Å; N180-T182 WeakPolarHBondContact OD1-CG2 3.25Å; N180-T182 PolarHBondContact OD1-N 2.83Å; N180-T182 PolarHBondContact OD1-OG1 2.73Å; N180-V305 HydrophobicContact CB-CG1 4.28Å; N180-I306 PolarHBondContact N-O 3.32Å; N180-H307 PolarHBondContact ND2-ND1 3.22Å; N180-H307 VanDerWaalsContact ND2-ND1 3.12Å; N180-N308 CarbonylContact O-C 3.54Å; N180-N308 PolarHBondContact O-N 3.34Å |
| 181 | C | 98.9 | Very high | 97.9 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | trans | -117.5 | 37 | 178 | -61.6 | 0 | 0 | 0 | 0 | 112.2 | I6 I11 G12 V179 G183 N308 | I6-C181 CarbonylContact O-C 3.54Å; I6-C181 VanDerWaalsContact O-CA 3.23Å; I6-C181 WeakPolarHBondContact O-CA 3.24Å; I6-C181 WeakPolarHBondContact O-CB 3.17Å; I6-C181 PolarHBondContact O-N 3.49Å; I11-C181 HydrophobicContact CB-CB 4.47Å; I11-C181 HydrophobicContact CG2-CB 4.17Å; G12-C181 VanDerWaalsContact CA-CB 3.49Å; V179-C181 PolarHBondContact O-N 3.12Å; C181-G183 PolarHBondContact O-N 3.26Å; C181-N308 WeakPolarHBondContact CA-O 3.33Å | ||
| 182 | T | 98.9 | Very high | 98 | Very high | 25 Ų | 25 | 39.6 Ų | 39.6 | 15% | 0.153 | 22% | 0.223 | C | C | . | . | trans | -79.3 | 9 | -172.1 | 49.6 | 0 | 0 | 0 | 0 | 115.2 | I6 N180 V184 W185 A186 L189 | I6-T182 HydrophobicContact CB-CG2 4.05Å; I6-T182 HydrophobicContact CG2-CG2 3.46Å; I6-T182 VanDerWaalsContact CG2-CG2 3.46Å; I6-T182 PolarHBondContact O-N 3.31Å; N180-T182 WeakPolarHBondContact OD1-CB 3.39Å; N180-T182 WeakPolarHBondContact OD1-CG2 3.25Å; N180-T182 PolarHBondContact OD1-N 2.83Å; N180-T182 PolarHBondContact OD1-OG1 2.73Å; T182-V184 PolarHBondContact O-N 3.11Å; T182-W185 PolarHBondContact O-N 2.7Å; T182-A186 WeakPolarHBondContact OG1-CA 3.32Å; T182-A186 WeakPolarHBondContact OG1-CB 3.42Å; T182-L189 HydrophobicContact CG2-CD1 3.82Å | ||
| 183 | G | 98.8 | Very high | 98.1 | Very high | 21 Ų | 21 | 37.2 Ų | 37.2 | 22% | 0.216 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | 58 | -128.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | C181 W185 A186 L195 | C181-G183 PolarHBondContact O-N 3.26Å; G183-W185 PolarHBondContact O-N 3.29Å; G183-A186 PolarHBondContact O-N 3.21Å; G183-L195 WeakPolarHBondContact O-CD2 3Å |
| 184 | V | 98.8 | Very high | 98.2 | Very high | 6 Ų | 6 | 36.8 Ų | 36.8 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -73.6 | -17 | -173.7 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | T182 L195 P197 W247 F282 P284 | T182-V184 PolarHBondContact O-N 3.11Å; V184-L195 WeakPolarHBondContact O-CD2 3.39Å; V184-P197 HydrophobicContact CG2-CB 4Å; V184-W247 HydrophobicContact CG1-CH2 4.37Å; V184-W247 HydrophobicContact CG1-CZ3 4.19Å; V184-W247 HydrophobicContact CG2-CH2 3.77Å; V184-W247 HydrophobicContact CG2-CZ3 4.19Å; V184-F282 HydrophobicContact CB-CB 4.47Å; V184-F282 HydrophobicContact CG1-CB 3.94Å; V184-F282 HydrophobicContact CG2-CB 4.37Å; V184-P284 HydrophobicContact CB-CB 4.01Å |
| 185 | W | 98.8 | Very high | 98.4 | Very high | 118 Ų | 118 | 36.9 Ų | 36.9 | 45% | 0.447 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -94.5 | 9.1 | -177.9 | -59.6 | -79 | 0 | 0 | 0 | 113.5 | T182 G183 G187 A188 W247 F282 | T182-W185 PolarHBondContact O-N 2.7Å; G183-W185 PolarHBondContact O-N 3.29Å; W185-G187 PolarHBondContact O-N 2.79Å; W185-G187 VanDerWaalsContact O-N 3.11Å; W185-A188 WeakPolarHBondContact O-CB 3.42Å; W185-A188 PolarHBondContact O-N 3.09Å; W185-W247 AromaticContact NE1-CZ3 3.87Å; W185-F282 HydrophobicContact CZ2-CD2 4.08Å |
| 186 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -55.7 | -31.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T182 G183 A188 L189 Q190 L195 Y309 | T182-A186 WeakPolarHBondContact OG1-CA 3.32Å; T182-A186 WeakPolarHBondContact OG1-CB 3.42Å; G183-A186 PolarHBondContact O-N 3.21Å; A186-A188 PolarHBondContact O-N 3.01Å; A186-A188 VanDerWaalsContact O-N 3.09Å; A186-L189 PolarHBondContact O-N 2.66Å; A186-Q190 PolarHBondContact O-N 3.23Å; A186-L195 HydrophobicContact CB-CD2 3.83Å; A186-Y309 HydrophobicContact CB-CD1 3.81Å; A186-Y309 HydrophobicContact CB-CD2 3.67Å; A186-Y309 HydrophobicContact CB-CE1 3.77Å; A186-Y309 HydrophobicContact CB-CE2 3.67Å; A186-Y309 HydrophobicContact CB-CG 3.75Å |
| 187 | G | 98.1 | Very high | 98.5 | Very high | 34 Ų | 34 | 38.5 Ų | 38.5 | 35% | 0.351 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -55 | -24.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | W185 Q190 | W185-G187 PolarHBondContact O-N 2.79Å; W185-G187 VanDerWaalsContact O-N 3.11Å; G187-Q190 VanDerWaalsContact CA-O 3.28Å; G187-Q190 WeakPolarHBondContact CA-O 3.46Å; G187-Q190 CarbonylContact O-C 3.13Å |
| 188 | A | 98 | Very high | 98.5 | Very high | 83 Ų | 83 | 38.5 Ų | 38.5 | 69% | 0.686 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -73.5 | -29.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | W185 A186 | W185-A188 WeakPolarHBondContact O-CB 3.42Å; W185-A188 PolarHBondContact O-N 3.09Å; A186-A188 PolarHBondContact O-N 3.01Å; A186-A188 VanDerWaalsContact O-N 3.09Å |
| 189 | L | 98.4 | Very high | 98.5 | Very high | 27 Ų | 27 | 38.5 Ų | 38.5 | 14% | 0.141 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -31.4 | 177.5 | -62.2 | -177.3 | 0 | 0 | 0 | 112.2 | I6 V164 F167 T182 A186 | I6-L189 HydrophobicContact CD1-CD1 4.14Å; I6-L189 HydrophobicContact CG2-CD1 4.44Å; V164-L189 HydrophobicContact CB-CD2 4.39Å; V164-L189 HydrophobicContact CG1-CD2 3.96Å; V164-L189 WeakPolarHBondContact O-CD2 3.24Å; F167-L189 HydrophobicContact CD1-CD1 4.22Å; F167-L189 HydrophobicContact CE1-CB 3.99Å; F167-L189 HydrophobicContact CE1-CD1 3.54Å; F167-L189 HydrophobicContact CE1-CG 4.39Å; F167-L189 HydrophobicContact CE2-CB 3.92Å; F167-L189 HydrophobicContact CZ-CB 3.6Å; F167-L189 HydrophobicContact CZ-CD1 3.94Å; F167-L189 HydrophobicContact CZ-CG 4.43Å; T182-L189 HydrophobicContact CG2-CD1 3.82Å; A186-L189 PolarHBondContact O-N 2.66Å |
| 190 | Q | 98.1 | Very high | 98.5 | Very high | 43 Ų | 43 | 38.7 Ų | 38.7 | 20% | 0.201 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -155.9 | 125.2 | 175.1 | 178.8 | 171 | -34.6 | 0 | 0 | 109.2 | F167 A186 G187 D192 E294 | F167-Q190 HydrophobicContact CE2-CB 3.96Å; A186-Q190 PolarHBondContact O-N 3.23Å; G187-Q190 VanDerWaalsContact CA-O 3.28Å; G187-Q190 WeakPolarHBondContact CA-O 3.46Å; G187-Q190 CarbonylContact O-C 3.13Å; Q190-D192 PolarHBondContact O-N 2.85Å; Q190-E294 PolarHBondContact NE2-OE2 3.03Å |
| 191 | P | 98.4 | Very high | 98.5 | Very high | 117 Ų | 117 | 38.7 Ų | 38.7 | 76% | 0.76 | 23% | 0.234 | S | C | * | . | trans | -55.1 | 124.9 | -178.1 | -27.4 | 35 | 0 | 0 | 0 | 112.6 | ||||
| 192 | D | 98.4 | Very high | 98.5 | Very high | 17 Ų | 17 | 38.5 Ų | 38.5 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | trans | -134.7 | 92.1 | 173.4 | -173.8 | -9.2 | 0 | 0 | 0 | 108.7 | Q190 L194 L195 R286 Y309 | Q190-D192 PolarHBondContact O-N 2.85Å; D192-L194 PolarHBondContact O-N 3.01Å; D192-L194 WeakPolarHBondContact OD1-CB 3.24Å; D192-L194 PolarHBondContact OD1-N 3.04Å; D192-L195 HydrophobicContact CB-CB 4.35Å; D192-L195 WeakPolarHBondContact O-CB 3.47Å; D192-L195 PolarHBondContact O-N 3.46Å; D192-L195 VanDerWaalsContact O-N 3.16Å; D192-R286 IonicContact OD1-NE 2.58Å; D192-R286 IonicContact OD1-NH2 3.74Å; D192-R286 IonicContact OD2-CZ 3.62Å; D192-R286 IonicContact OD2-NE 3.48Å; D192-R286 PolarHBondContact OD2-NE 2.89Å; D192-R286 IonicContact OD2-NH2 2.76Å; D192-Y309 VanDerWaalsContact OD2-CE2 3.26Å; D192-Y309 WeakPolarHBondContact OD2-CE2 3.3Å; D192-Y309 PolarHBondContact OD2-OH 3.02Å | ||
| 193 | P | 97.9 | Very high | 98.5 | Very high | 120 Ų | 120 | 37.3 Ų | 37.3 | 78% | 0.779 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -10.6 | -176.1 | 29.4 | -35.7 | 0 | 0 | 0 | 113.5 | L195 | P193-L195 VanDerWaalsContact C-N 3.28Š|
| 194 | L | 98.3 | Very high | 98.5 | Very high | 89 Ų | 89 | 37.9 Ų | 37.9 | 47% | 0.466 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -17.7 | 175 | -58.7 | 178.3 | 0 | 0 | 0 | 112 | D192 R286 | D192-L194 PolarHBondContact O-N 3.01Å; D192-L194 WeakPolarHBondContact OD1-CB 3.24Å; D192-L194 PolarHBondContact OD1-N 3.04Å; L194-R286 HydrophobicContact CB-CG 3.99Å |
| 195 | L | 98.8 | Very high | 98.5 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 9% | 0.089 | 22% | 0.22 | C | C | . | . | trans | -88.8 | 125.9 | -179.1 | -175.8 | 67.8 | 0 | 0 | 0 | 111.1 | G183 V184 A186 D192 P193 P284 V285 R286 Y309 | G183-L195 WeakPolarHBondContact O-CD2 3Å; V184-L195 WeakPolarHBondContact O-CD2 3.39Å; A186-L195 HydrophobicContact CB-CD2 3.83Å; D192-L195 HydrophobicContact CB-CB 4.35Å; D192-L195 WeakPolarHBondContact O-CB 3.47Å; D192-L195 PolarHBondContact O-N 3.46Å; D192-L195 VanDerWaalsContact O-N 3.16Å; P193-L195 VanDerWaalsContact C-N 3.28Å; L195-P284 HydrophobicContact CD1-CB 4Å; L195-V285 CarbonylContact C-O 3.58Å; L195-V285 WeakPolarHBondContact CA-O 3.45Å; L195-R286 HydrophobicContact CD1-CB 4.27Å; L195-Y309 HydrophobicContact CD1-CD2 4.3Å; L195-Y309 HydrophobicContact CD2-CD2 3.99Å; L195-Y309 HydrophobicContact CD2-CE2 3.92Å | ||
| 196 | Q | 98.5 | Very high | 98.5 | Very high | 81 Ų | 81 | 34.7 Ų | 34.7 | 38% | 0.379 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 154.2 | -179.8 | -68.1 | -176.9 | 69.9 | 0 | 0 | 111.1 | G198 L244 V285 | Q196-G198 PolarHBondContact O-N 2.77Å; Q196-L244 HydrophobicContact CB-CD1 3.83Å; Q196-L244 HydrophobicContact CB-CG 4.34Å; Q196-V285 PolarHBondContact N-O 3.28Å; Q196-V285 WeakPolarHBondContact O-CB 3.46Å; Q196-V285 PolarHBondContact O-N 2.86Å |
| 197 | P | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 127.7 | 172.3 | 34.1 | -36.8 | 0 | 0 | 0 | 109.7 | V184 L244 G245 W247 F282 | V184-P197 HydrophobicContact CG2-CB 4Å; P197-L244 CarbonylContact O-C 3.57Å; P197-L244 WeakPolarHBondContact O-CA 3.39Å; P197-G245 PolarHBondContact O-N 3.25Å; P197-W247 HydrophobicContact CB-CD2 4.13Å; P197-W247 HydrophobicContact CB-CE3 4.17Å; P197-W247 HydrophobicContact CB-CH2 4.39Å; P197-W247 HydrophobicContact CB-CZ2 4.32Å; P197-W247 HydrophobicContact CB-CZ3 4.3Å; P197-W247 VanDerWaalsContact CD-CE2 3.48Å; P197-W247 HydrophobicContact CG-CD2 3.6Å; P197-W247 VanDerWaalsContact CG-CE2 3.42Å; P197-W247 HydrophobicContact CG-CE3 4.17Å; P197-W247 HydrophobicContact CG-CG 3.88Å; P197-W247 HydrophobicContact CG-CH2 4.42Å; P197-W247 HydrophobicContact CG-CZ2 3.89Å; P197-F282 HydrophobicContact CB-CB 4.1Å; P197-F282 HydrophobicContact CB-CD1 4.02Å; P197-F282 HydrophobicContact CB-CG 4.13Å |
| 198 | G | 98.4 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 87.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q196 G200 R283 | Q196-G198 PolarHBondContact O-N 2.77Å; G198-G200 PolarHBondContact O-N 3.48Å; G198-R283 PolarHBondContact N-O 3.07Å; G198-R283 WeakPolarHBondContact O-CB 3.36Å; G198-R283 WeakPolarHBondContact O-CG 3.26Å; G198-R283 PolarHBondContact O-N 3.18Å |
| 199 | R | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 126.1 | -179.2 | -179.5 | -176.7 | 176.2 | -74.5 | -7.8 | 110.2 | F242 Q243 N246 N248 L250 N252 D255 T280 G281 F282 | R199-F242 CarbonylContact O-C 3.59Å; R199-F242 WeakPolarHBondContact O-CA 3.38Å; R199-Q243 HydrophobicContact CB-CB 4.26Å; R199-Q243 PolarHBondContact N-O 2.96Å; R199-Q243 PolarHBondContact O-N 3.31Å; R199-N246 HydrophobicContact CB-CB 4.1Å; R199-N246 WeakPolarHBondContact CB-O 3.42Å; R199-N246 VanDerWaalsContact CD-CG 3.48Å; R199-N246 WeakPolarHBondContact CD-ND2 3.43Å; R199-N248 VanDerWaalsContact CD-O 3.24Å; R199-N248 WeakPolarHBondContact CD-O 3.42Å; R199-N248 PolarHBondContact NE-O 2.93Å; R199-L250 PolarHBondContact NH2-O 2.94Å; R199-N252 PolarHBondContact NH2-ND2 2.78Å; R199-D255 IonicContact CZ-OD2 3.33Å; R199-D255 IonicContact NH1-OD2 3.82Å; R199-D255 PolarHBondContact NH1-OD2 3.43Å; R199-D255 IonicContact NH2-OD2 3.69Å; R199-T280 HydrophobicContact CG-CG2 3.74Å; R199-T280 PolarHBondContact NH2-OG1 2.81Å; R199-G281 WeakPolarHBondContact CA-O 3.35Å; R199-F282 HydrophobicContact CB-CD1 3.91Å; R199-F282 HydrophobicContact CB-CE1 3.98Å; R199-F282 HydrophobicContact CG-CD1 4.14Å; R199-F282 HydrophobicContact CG-CE1 3.86Å |
| 200 | G | 98.5 | Very high | 98.4 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 136.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G198 I241 T280 G281 R283 | G198-G200 PolarHBondContact O-N 3.48Å; G200-I241 VanDerWaalsContact CA-O 3.28Å; G200-I241 WeakPolarHBondContact CA-O 3.33Å; G200-T280 CarbonylContact O-C 3.09Å; G200-T280 VanDerWaalsContact O-CA 3.31Å; G200-T280 WeakPolarHBondContact O-CA 3.44Å; G200-G281 PolarHBondContact N-O 3.37Å; G200-G281 PolarHBondContact O-N 3.11Å; G200-R283 VanDerWaalsContact CA-NH1 3.25Å |
| 201 | Q | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 142.4 | 167.9 | -168.5 | 166.8 | -48 | 0 | 0 | 108.5 | N251 N252 D255 I259 E278 R279 | Q201-N251 VanDerWaalsContact OE1-CA 3.31Å; Q201-N252 PolarHBondContact NE2-O 3.48Å; Q201-D255 HydrophobicContact CB-CB 4.27Å; Q201-I259 HydrophobicContact CB-CD1 4.08Å; Q201-I259 HydrophobicContact CG-CD1 4.31Å; Q201-I259 WeakPolarHBondContact O-CD1 3.14Å; Q201-E278 HydrophobicContact CG-CG 4.4Å; Q201-E278 PolarHBondContact NE2-OE1 3Å; Q201-R279 CarbonylContact C-O 3.52Å; Q201-R279 WeakPolarHBondContact CA-O 3.46Å |
| 202 | I | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 149.2 | 177.8 | 56.9 | 154.8 | 0 | 0 | 0 | 110.8 | V47 K204 Y228 T237 L238 E278 R279 | V47-I202 HydrophobicContact CG1-CD1 3.93Å; V47-I202 HydrophobicContact CG1-CG1 3.94Å; V47-I202 WeakPolarHBondContact O-CD1 3.19Å; I202-K204 HydrophobicContact CD1-CG 4.38Å; I202-Y228 WeakPolarHBondContact CG2-OH 3.25Å; I202-T237 HydrophobicContact CB-CG2 3.93Å; I202-T237 HydrophobicContact CD1-CG2 3.78Å; I202-T237 HydrophobicContact CG1-CG2 4.5Å; I202-T237 HydrophobicContact CG2-CG2 3.96Å; I202-L238 CarbonylContact C-O 3.49Å; I202-L238 VanDerWaalsContact CA-O 3.3Å; I202-L238 WeakPolarHBondContact CA-O 3.22Å; I202-L238 WeakPolarHBondContact CB-O 3.26Å; I202-E278 WeakPolarHBondContact O-CA 3.34Å; I202-E278 WeakPolarHBondContact O-CG 3.42Å; I202-R279 HydrophobicContact CG1-CB 4.28Å; I202-R279 WeakPolarHBondContact CG1-O 3.23Å; I202-R279 PolarHBondContact N-O 3.03Å; I202-R279 PolarHBondContact O-N 3Å |
| 203 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 127.3 | 171.1 | -54.4 | 175 | 0 | 0 | 0 | 107.7 | V205 L238 I259 W260 I275 E278 | I203-V205 HydrophobicContact CG2-CG1 3.89Å; I203-L238 HydrophobicContact CB-CB 4.28Å; I203-L238 PolarHBondContact N-O 2.92Å; I203-L238 PolarHBondContact O-N 2.98Å; I203-I259 HydrophobicContact CB-CG2 4.46Å; I203-I259 HydrophobicContact CD1-CB 4.08Å; I203-I259 HydrophobicContact CD1-CG2 3.86Å; I203-I259 HydrophobicContact CG1-CG2 4.04Å; I203-W260 HydrophobicContact CD1-CB 4.16Å; I203-W260 HydrophobicContact CD1-CE3 4.39Å; I203-I275 HydrophobicContact CG2-CB 4.47Å; I203-I275 HydrophobicContact CG2-CD1 4.24Å; I203-I275 HydrophobicContact CG2-CG1 3.98Å; I203-I275 HydrophobicContact CG2-CG2 3.83Å; I203-E278 HydrophobicContact CG1-CG 4.11Å |
| 204 | K | 98.7 | Very high | 98.5 | Very high | 34 Ų | 34 | 34.4 Ų | 34.4 | 15% | 0.148 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 128.8 | 172.9 | -69.3 | -84.2 | -174 | 177.3 | 0 | 108.5 | I202 T235 V236 T237 V276 D277 | I202-K204 HydrophobicContact CD1-CG 4.38Å; K204-T235 WeakPolarHBondContact CD-OG1 3.31Å; K204-V236 WeakPolarHBondContact CA-O 3.28Å; K204-T237 WeakPolarHBondContact CE-OG1 3.49Å; K204-T237 PolarHBondContact NZ-OG1 2.82Å; K204-V276 PolarHBondContact O-N 3.02Å; K204-D277 HydrophobicContact CB-CB 4.06Å; K204-D277 HydrophobicContact CG-CB 4.45Å; K204-D277 PolarHBondContact N-O 2.69Å; K204-D277 PolarHBondContact O-N 3.44Å |
| 205 | V | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 153.2 | -177.8 | -55.6 | 0 | 0 | 0 | 0 | 112.3 | I203 A207 T235 V236 L238 W260 L270 A273 R274 I275 | I203-V205 HydrophobicContact CG2-CG1 3.89Å; V205-A207 HydrophobicContact CG2-CB 3.97Å; V205-A207 PolarHBondContact O-N 2.97Å; V205-T235 CarbonylContact O-C 3.54Å; V205-T235 WeakPolarHBondContact O-CA 3.12Å; V205-V236 HydrophobicContact CG2-CB 3.84Å; V205-V236 HydrophobicContact CG2-CG1 4.45Å; V205-V236 PolarHBondContact N-O 3.23Å; V205-V236 PolarHBondContact O-N 3.24Å; V205-L238 HydrophobicContact CG1-CD1 3.67Å; V205-L238 HydrophobicContact CG1-CG 4.17Å; V205-L238 HydrophobicContact CG2-CD1 4.17Å; V205-L238 HydrophobicContact CG2-CD2 4.32Å; V205-L238 HydrophobicContact CG2-CG 4.13Å; V205-W260 HydrophobicContact CG1-CZ3 3.95Å; V205-L270 HydrophobicContact CG2-CD2 4.07Å; V205-A273 HydrophobicContact CB-CB 4.07Å; V205-A273 HydrophobicContact CG2-CB 4.19Å; V205-R274 CarbonylContact C-O 3.55Å; V205-R274 WeakPolarHBondContact CA-O 3.46Å; V205-I275 HydrophobicContact CG1-CG1 4.2Å |
| 206 | D | 98.6 | Very high | 98.5 | Very high | 57 Ų | 57 | 29.7 Ų | 29.7 | 31% | 0.305 | 14% | 0.141 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 94.8 | 170.3 | -169.1 | 0.4 | 0 | 0 | 0 | 108.7 | P208 R274 V276 | D206-P208 WeakPolarHBondContact OD1-CD 3.47Å; D206-R274 HydrophobicContact CB-CB 4.27Å; D206-R274 PolarHBondContact N-O 3.43Å; D206-R274 IonicContact OD2-CZ 3.6Å; D206-R274 IonicContact OD2-NE 3.23Å; D206-R274 IonicContact OD2-NH2 3.1Å; D206-R274 PolarHBondContact OD2-NH2 3.22Å; D206-V276 HydrophobicContact CB-CG2 3.84Å |
| 207 | A | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | trans | -141.9 | 64 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V205 W209 I210 V236 L270 A273 | V205-A207 HydrophobicContact CG2-CB 3.97Å; V205-A207 PolarHBondContact O-N 2.97Å; A207-W209 HydrophobicContact CB-CD2 4.5Å; A207-W209 HydrophobicContact CB-CH2 4.16Å; A207-W209 HydrophobicContact CB-CZ2 3.85Å; A207-W209 PolarHBondContact O-N 3.48Å; A207-I210 HydrophobicContact CB-CG1 4.04Å; A207-I210 PolarHBondContact O-N 3.06Å; A207-I210 VanDerWaalsContact O-N 3.07Å; A207-V236 HydrophobicContact CB-CB 4.44Å; A207-V236 HydrophobicContact CB-CG2 3.97Å; A207-V236 WeakPolarHBondContact O-CG2 3.42Å; A207-L270 HydrophobicContact CB-CD2 3.96Å; A207-A273 HydrophobicContact CB-CB 3.94Å | ||
| 208 | P | 97.8 | Very high | 98 | Very high | 76 Ų | 76 | 29.6 Ų | 29.6 | 49% | 0.494 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -12.3 | -171.1 | 26.5 | -36.7 | 0 | 0 | 0 | 114.1 | D206 I210 K211 | D206-P208 WeakPolarHBondContact OD1-CD 3.47Å; P208-I210 VanDerWaalsContact C-N 3.33Å; P208-K211 WeakPolarHBondContact O-CE 3.36Å; P208-K211 PolarHBondContact O-NZ 2.93Å |
| 209 | W | 98.1 | Very high | 97.1 | Very high | 120 Ų | 120 | 34 Ų | 34 | 46% | 0.455 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -16.8 | 175.6 | 57 | 89.3 | 0 | 0 | 0 | 113.5 | A207 K211 T269 A273 | A207-W209 HydrophobicContact CB-CD2 4.5Å; A207-W209 HydrophobicContact CB-CH2 4.16Å; A207-W209 HydrophobicContact CB-CZ2 3.85Å; A207-W209 PolarHBondContact O-N 3.48Å; W209-K211 PolarHBondContact O-N 2.89Å; W209-T269 PolarHBondContact NE1-OG1 3.01Å; W209-A273 HydrophobicContact CH2-CB 4.33Å; W209-A273 HydrophobicContact CZ2-CB 4.26Å |
| 210 | I | 98.3 | Very high | 96.4 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 6% | 0.062 | 21% | 0.214 | C | C | . | . | trans | -79.6 | 113.2 | 175.2 | -52.9 | -55 | 0 | 0 | 0 | 108.8 | A207 P208 I229 P231 V236 E267 | A207-I210 HydrophobicContact CB-CG1 4.04Å; A207-I210 PolarHBondContact O-N 3.06Å; A207-I210 VanDerWaalsContact O-N 3.07Å; P208-I210 VanDerWaalsContact C-N 3.33Å; I210-I229 HydrophobicContact CG2-CG2 3.89Å; I210-P231 HydrophobicContact CB-CG 4.42Å; I210-P231 HydrophobicContact CG2-CG 3.7Å; I210-P231 WeakPolarHBondContact O-CG 3.42Å; I210-V236 HydrophobicContact CB-CG2 4.05Å; I210-V236 HydrophobicContact CG2-CG1 4.45Å; I210-E267 HydrophobicContact CD1-CG 3.57Å | ||
| 211 | K | 97.9 | Very high | 95.6 | Very high | 142 Ų | 142 | 45.9 Ų | 45.9 | 62% | 0.617 | 23% | 0.23 | S | C | * | . | trans | -114.7 | -9.1 | -176 | -60 | -51.9 | -169.4 | -168.7 | 0 | 114.8 | P208 W209 | P208-K211 WeakPolarHBondContact O-CE 3.36Å; P208-K211 PolarHBondContact O-NZ 2.93Å; W209-K211 PolarHBondContact O-N 2.89Å | ||
| 212 | H | 98.7 | Very high | 95.1 | Very high | 76 Ų | 76 | 47.4 Ų | 47.4 | 35% | 0.352 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -113.5 | 143.7 | 177.5 | -63.1 | 99 | 0 | 0 | 0 | 110.2 | S93 Y95 P231 | S93-H212 WeakPolarHBondContact O-CA 3.35Å; S93-H212 WeakPolarHBondContact O-CB 3.39Å; S93-H212 PolarHBondContact O-CD2 3.44Å; Y95-H212 HydrophobicContact CD2-CB 4.08Å; Y95-H212 HydrophobicContact CE2-CB 3.69Å; Y95-H212 AromaticContact CE2-CG 3.8Å; H212-P231 WeakPolarHBondContact O-CD 3.31Å; H212-P231 WeakPolarHBondContact O-CG 3.33Å |
| 213 | F | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 148.1 | 163.5 | 69.4 | -100.6 | 0 | 0 | 0 | 109.5 | F51 I92 S93 G94 Y95 H134 L215 I229 | F51-F213 HydrophobicContact CD2-CD1 4.3Å; F51-F213 HydrophobicContact CE1-CD2 4.25Å; F51-F213 HydrophobicContact CE1-CE2 4.28Å; F51-F213 HydrophobicContact CE1-CG 4.43Å; F51-F213 AromaticContact CE2-CD1 3.4Å; F51-F213 HydrophobicContact CE2-CD1 3.4Å; F51-F213 VanDerWaalsContact CE2-CD1 3.4Å; F51-F213 HydrophobicContact CE2-CD2 4.37Å; F51-F213 AromaticContact CE2-CE1 3.54Å; F51-F213 HydrophobicContact CE2-CE1 3.54Å; F51-F213 HydrophobicContact CE2-CE2 4.47Å; F51-F213 AromaticContact CE2-CG 3.85Å; F51-F213 HydrophobicContact CE2-CG 3.85Å; F51-F213 HydrophobicContact CE2-CZ 4.1Å; F51-F213 AromaticContact CZ-CD1 3.64Å; F51-F213 HydrophobicContact CZ-CD1 3.64Å; F51-F213 AromaticContact CZ-CD2 3.86Å; F51-F213 HydrophobicContact CZ-CD2 3.86Å; F51-F213 AromaticContact CZ-CE1 3.5Å; F51-F213 HydrophobicContact CZ-CE1 3.5Å; F51-F213 AromaticContact CZ-CE2 3.72Å; F51-F213 HydrophobicContact CZ-CE2 3.72Å; F51-F213 AromaticContact CZ-CG 3.82Å; F51-F213 HydrophobicContact CZ-CG 3.82Å; F51-F213 AromaticContact CZ-CZ 3.55Å; F51-F213 HydrophobicContact CZ-CZ 3.55Å; I92-F213 HydrophobicContact CD1-CB 4.34Å; I92-F213 HydrophobicContact CG1-CD1 4.18Å; I92-F213 HydrophobicContact CG2-CD1 3.93Å; S93-F213 VanDerWaalsContact C-CD1 3.46Å; S93-F213 WeakPolarHBondContact O-CD1 3.26Å; S93-F213 PolarHBondContact O-N 3.12Å; S93-F213 VanDerWaalsContact O-N 3.11Å; G94-F213 CarbonylContact C-O 3.52Å; G94-F213 VanDerWaalsContact CA-CE1 3.44Å; G94-F213 VanDerWaalsContact CA-CZ 3.46Å; G94-F213 WeakPolarHBondContact CA-O 3.45Å; G94-F213 WeakPolarHBondContact O-CZ 3.42Å; Y95-F213 PolarHBondContact N-O 3Å; H134-F213 AromaticContact CD2-CZ 3.93Å; H134-F213 AromaticContact CE1-CE2 4Å; H134-F213 AromaticContact CE1-CZ 3.48Å; H134-F213 VanDerWaalsContact CE1-CZ 3.48Å; H134-F213 WeakPolarHBondContact CE1-CZ 3.44Å; H134-F213 AromaticContact ND1-CZ 3.88Å; H134-F213 AromaticContact NE2-CZ 3.48Å; H134-F213 WeakPolarHBondContact NE2-CZ 3.22Å; F213-L215 HydrophobicContact CB-CD1 4.07Å; F213-L215 HydrophobicContact CD2-CD1 3.4Å; F213-L215 VanDerWaalsContact CD2-CD1 3.4Å; F213-L215 HydrophobicContact CE2-CD1 4.2Å; F213-L215 HydrophobicContact CG-CD1 4.07Å; F213-I229 CarbonylContact C-O 3.51Å; F213-I229 VanDerWaalsContact CA-O 3.32Å; F213-I229 WeakPolarHBondContact CA-O 3.25Å |
| 214 | I | 98.8 | Very high | 94.2 | Very high | 7 Ų | 7 | 50.8 Ų | 50.8 | 4% | 0.036 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 111.2 | 174.6 | -47.9 | 168.1 | 0 | 0 | 0 | 106.6 | Y95 L97 F125 Y228 I229 L266 | Y95-I214 HydrophobicContact CD2-CG1 4.3Å; L97-I214 HydrophobicContact CD1-CG2 3.63Å; F125-I214 HydrophobicContact CE1-CD1 4.05Å; F125-I214 HydrophobicContact CE1-CG1 4.44Å; F125-I214 HydrophobicContact CE1-CG2 3.92Å; F125-I214 HydrophobicContact CZ-CD1 4.42Å; F125-I214 HydrophobicContact CZ-CG1 4.48Å; F125-I214 HydrophobicContact CZ-CG2 4.3Å; I214-Y228 CarbonylContact O-C 3.57Å; I214-Y228 VanDerWaalsContact O-CA 3.3Å; I214-Y228 WeakPolarHBondContact O-CA 3.36Å; I214-I229 HydrophobicContact CB-CB 4.33Å; I214-I229 HydrophobicContact CD1-CD1 4.32Å; I214-I229 PolarHBondContact N-O 2.83Å; I214-I229 PolarHBondContact O-N 2.87Å; I214-L266 HydrophobicContact CB-CD2 4.31Å; I214-L266 HydrophobicContact CG2-CD1 4.11Å; I214-L266 HydrophobicContact CG2-CD2 3.73Å; I214-L266 HydrophobicContact CG2-CG 4.07Å |
| 215 | L | 98.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 124 | 176.4 | -79.7 | 79.3 | 0 | 0 | 0 | 108.5 | F51 Y95 N96 L97 F213 Y224 I230 | F51-L215 HydrophobicContact CD1-CD1 4.11Å; F51-L215 HydrophobicContact CD1-CD2 4.19Å; F51-L215 HydrophobicContact CE1-CD1 3.89Å; F51-L215 HydrophobicContact CE1-CD2 4.1Å; Y95-L215 PolarHBondContact O-N 3.07Å; N96-L215 CarbonylContact C-O 3.57Å; N96-L215 VanDerWaalsContact CA-O 3.3Å; N96-L215 WeakPolarHBondContact CA-O 3.2Å; L97-L215 PolarHBondContact N-O 3.37Å; F213-L215 HydrophobicContact CB-CD1 4.07Å; F213-L215 HydrophobicContact CD2-CD1 3.4Å; F213-L215 VanDerWaalsContact CD2-CD1 3.4Å; F213-L215 HydrophobicContact CE2-CD1 4.2Å; F213-L215 HydrophobicContact CG-CD1 4.07Å; L215-Y224 HydrophobicContact CD2-CE1 4.35Å; L215-I230 HydrophobicContact CD1-CD1 4.39Å; L215-I230 HydrophobicContact CD1-CG1 4.16Å |
| 216 | T | 98.3 | Very high | 94 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 3% | 0.025 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 152 | 173.5 | 68.2 | 0 | 0 | 0 | 0 | 109.6 | L97 Y128 S226 P227 L266 | L97-T216 HydrophobicContact CB-CG2 4.23Å; L97-T216 HydrophobicContact CD1-CG2 4.06Å; Y128-T216 HydrophobicContact CE1-CG2 3.97Å; Y128-T216 HydrophobicContact CE2-CG2 3.81Å; Y128-T216 WeakPolarHBondContact OH-CB 3.3Å; Y128-T216 WeakPolarHBondContact OH-CG2 3.47Å; T216-S226 PolarHBondContact OG1-OG 2.87Å; T216-P227 WeakPolarHBondContact CB-O 3.4Å; T216-P227 PolarHBondContact N-O 3.39Å; T216-P227 VanDerWaalsContact OG1-CD 3.31Å; T216-P227 WeakPolarHBondContact OG1-CD 3.45Å; T216-P227 PolarHBondContact OG1-O 2.86Å; T216-L266 HydrophobicContact CG2-CD1 3.72Å; T216-L266 HydrophobicContact CG2-CD2 3.55Å; T216-L266 HydrophobicContact CG2-CG 4.28Å |
| 217 | H | 96.3 | Very high | 94 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 5% | 0.046 | 26% | 0.262 | C | S | . | . | trans | -135.7 | 134.1 | -174.5 | -56.5 | -85 | 0 | 0 | 0 | 111.4 | L56 N96 L97 F98 | L56-H217 HydrophobicContact CD1-CB 4.21Å; L56-H217 WeakPolarHBondContact CD1-ND1 3.35Å; N96-H217 PolarHBondContact OD1-CE1 2.89Å; N96-H217 PolarHBondContact OD1-NE2 3.19Å; L97-H217 PolarHBondContact O-CD2 3.3Å; L97-H217 PolarHBondContact O-N 2.89Å; L97-H217 VanDerWaalsContact O-N 3.1Å; F98-H217 HydrophobicContact CD1-CB 3.66Å; F98-H217 AromaticContact CD1-CD2 3.98Å; F98-H217 HydrophobicContact CE1-CB 3.46Å; F98-H217 VanDerWaalsContact CE1-CB 3.46Å; F98-H217 AromaticContact CE1-CD2 3.23Å; F98-H217 WeakPolarHBondContact CE1-CD2 3.44Å; F98-H217 AromaticContact CE1-CG 3.44Å; F98-H217 VanDerWaalsContact CE1-CG 3.44Å; F98-H217 HydrophobicContact CZ-CB 4.46Å; F98-H217 AromaticContact CZ-CD2 3.36Å; F98-H217 WeakPolarHBondContact CZ-CD2 3.4Å; F98-H217 AromaticContact CZ-NE2 3.9Å | ||
| 218 | E | 89.3 | Confident | 94 | Very high | 71 Ų | 71 | 50.8 Ų | 50.8 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | trans | -123.1 | 95.5 | 169.6 | -75.3 | 171.6 | -148.7 | 0 | 0 | 107.6 | E220 S221 G222 S226 | E218-E220 PolarHBondContact O-N 3.11Å; E218-E220 VanDerWaalsContact O-N 3.13Å; E218-S221 PolarHBondContact O-N 2.87Å; E218-S221 PolarHBondContact OE2-OG 2.77Å; E218-G222 PolarHBondContact O-N 3.21Å; E218-S226 PolarHBondContact OE1-OG 3.34Å | ||
| 219 | P | 80 | Confident | 94 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 59% | 0.591 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -53.6 | -34.5 | -176.2 | -28.8 | 36 | 0 | 0 | 0 | 113.7 | G222 | P219-G222 PolarHBondContact O-N 3.07Š|
| 220 | E | 83.5 | Confident | 94.1 | Very high | 201 Ų | 201 | 41.8 Ų | 41.8 | 94% | 0.939 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -69.2 | -31.7 | 178 | -59.1 | -172.4 | 171.8 | 0 | 0 | 113.2 | E218 G222 | E218-E220 PolarHBondContact O-N 3.11Å; E218-E220 VanDerWaalsContact O-N 3.13Å; E220-G222 VanDerWaalsContact C-N 3.32Å |
| 221 | S | 83.3 | Confident | 94.1 | Very high | 54 Ų | 54 | 41.6 Ų | 41.6 | 38% | 0.378 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -82.9 | -10.9 | -179.1 | -57.7 | 0 | 0 | 0 | 0 | 112.9 | E218 N225 | E218-S221 PolarHBondContact O-N 2.87Å; E218-S221 PolarHBondContact OE2-OG 2.77Å; S221-N225 WeakPolarHBondContact O-CB 3.46Å; S221-N225 PolarHBondContact O-ND2 3.49Å |
| 222 | G | 87.1 | Confident | 94.1 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 33% | 0.33 | 20% | 0.197 | S | C | . | . | trans | 83.1 | 167.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E218 P219 E220 N225 | E218-G222 PolarHBondContact O-N 3.21Å; P219-G222 PolarHBondContact O-N 3.07Å; E220-G222 VanDerWaalsContact C-N 3.32Å; G222-N225 PolarHBondContact O-N 3.08Å | ||
| 223 | I | 88.3 | Confident | 93.8 | Very high | 45 Ų | 45 | 34.9 Ų | 34.9 | 23% | 0.231 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 136.3 | -171.3 | -164.7 | 165.9 | 0 | 0 | 0 | 112.7 | Y55 N225 F242 | Y55-I223 HydrophobicContact CD1-CD1 3.18Å; Y55-I223 HydrophobicContact CD1-CG1 4.47Å; Y55-I223 HydrophobicContact CD2-CD1 4.08Å; Y55-I223 HydrophobicContact CE1-CD1 3.7Å; Y55-I223 HydrophobicContact CG-CD1 3.37Å; I223-N225 PolarHBondContact O-N 3.06Å; I223-N225 VanDerWaalsContact O-N 3.15Å; I223-F242 HydrophobicContact CG2-CE2 4.42Å; I223-F242 WeakPolarHBondContact O-CB 3.5Å |
| 224 | Y | 91.8 | Very high | 93.6 | Very high | 30 Ų | 30 | 42.6 Ų | 42.6 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 18.6 | 179.1 | -51.1 | -42.7 | 0 | 0 | 0 | 115.6 | Y55 L215 S226 G240 I241 F242 | Y55-Y224 HydrophobicContact CD1-CE2 4.19Å; Y55-Y224 HydrophobicContact CE1-CD2 4.49Å; Y55-Y224 AromaticContact CE1-CE2 3.65Å; Y55-Y224 HydrophobicContact CE1-CE2 3.65Å; L215-Y224 HydrophobicContact CD2-CE1 4.35Å; Y224-S226 VanDerWaalsContact C-N 3.28Å; Y224-G240 CarbonylContact O-C 3.25Å; Y224-G240 WeakPolarHBondContact O-CA 3.3Å; Y224-I241 CarbonylContact O-C 3.55Å; Y224-I241 PolarHBondContact O-N 3.41Å; Y224-I241 VanDerWaalsContact O-N 3.14Å; Y224-F242 HydrophobicContact CD2-CD2 4.1Å; Y224-F242 HydrophobicContact CD2-CE2 4.42Å |
| 225 | N | 95.4 | Very high | 93.6 | Very high | 55 Ų | 55 | 43.7 Ų | 43.7 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | trans | -93.4 | 20.2 | 166.9 | -75.1 | -44.7 | 0 | 0 | 0 | 112.8 | S221 G222 I223 G240 F242 | S221-N225 WeakPolarHBondContact O-CB 3.46Å; S221-N225 PolarHBondContact O-ND2 3.49Å; G222-N225 PolarHBondContact O-N 3.08Å; I223-N225 PolarHBondContact O-N 3.06Å; I223-N225 VanDerWaalsContact O-N 3.15Å; N225-G240 CarbonylContact C-O 3.58Å; N225-F242 PolarHBondContact ND2-O 3.34Å; N225-F242 WeakPolarHBondContact OD1-CA 3.42Å; N225-F242 PolarHBondContact OD1-N 3.11Å; N225-F242 PolarHBondContact OD1-O 3.07Å | ||
| 226 | S | 96.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -131.9 | 153.8 | 174.5 | -163.3 | 0 | 0 | 0 | 0 | 108.5 | T216 E218 Y224 Y228 G240 | T216-S226 PolarHBondContact OG1-OG 2.87Å; E218-S226 PolarHBondContact OE1-OG 3.34Å; Y224-S226 VanDerWaalsContact C-N 3.28Å; S226-Y228 PolarHBondContact O-N 3.15Å; S226-G240 WeakPolarHBondContact O-CA 2.95Å |
| 227 | P | 98.3 | Very high | 93.6 | Very high | 24 Ų | 24 | 43.6 Ų | 43.6 | 16% | 0.156 | 24% | 0.241 | C | C | . | . | trans | -54.2 | 138.6 | -172.3 | -29 | 36.8 | 0 | 0 | 0 | 114.3 | T216 G239 L266 | T216-P227 WeakPolarHBondContact CB-O 3.4Å; T216-P227 PolarHBondContact N-O 3.39Å; T216-P227 VanDerWaalsContact OG1-CD 3.31Å; T216-P227 WeakPolarHBondContact OG1-CD 3.45Å; T216-P227 PolarHBondContact OG1-O 2.86Å; P227-G239 WeakPolarHBondContact CA-O 3.4Å; P227-L266 HydrophobicContact CB-CD2 4.21Å | ||
| 228 | Y | 98.6 | Very high | 93.7 | Very high | 10 Ų | 10 | 43.1 Ų | 43.1 | 4% | 0.039 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 146.2 | 168.3 | 62.3 | -98.3 | 0 | 0 | 0 | 112.1 | A49 I202 I214 S226 I230 L238 G239 | A49-Y228 HydrophobicContact CB-CE2 4.27Å; I202-Y228 WeakPolarHBondContact CG2-OH 3.25Å; I214-Y228 CarbonylContact O-C 3.57Å; I214-Y228 VanDerWaalsContact O-CA 3.3Å; I214-Y228 WeakPolarHBondContact O-CA 3.36Å; S226-Y228 PolarHBondContact O-N 3.15Å; Y228-I230 HydrophobicContact CD2-CD1 3.72Å; Y228-I230 HydrophobicContact CD2-CG1 4.16Å; Y228-I230 HydrophobicContact CE2-CD1 4.21Å; Y228-L238 WeakPolarHBondContact O-CA 3.34Å; Y228-G239 VanDerWaalsContact CE1-C 3.44Å; Y228-G239 VanDerWaalsContact CZ-CA 3.43Å; Y228-G239 PolarHBondContact N-O 3.4Å; Y228-G239 PolarHBondContact O-N 2.79Å |
| 229 | I | 98.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 115 | -178.3 | -56.4 | 175.2 | 0 | 0 | 0 | 107.3 | I210 F213 I214 V236 T237 L238 C263 L266 E267 L270 | I210-I229 HydrophobicContact CG2-CG2 3.89Å; F213-I229 CarbonylContact C-O 3.51Å; F213-I229 VanDerWaalsContact CA-O 3.32Å; F213-I229 WeakPolarHBondContact CA-O 3.25Å; I214-I229 HydrophobicContact CB-CB 4.33Å; I214-I229 HydrophobicContact CD1-CD1 4.32Å; I214-I229 PolarHBondContact N-O 2.83Å; I214-I229 PolarHBondContact O-N 2.87Å; I229-V236 HydrophobicContact CG2-CG1 3.51Å; I229-T237 WeakPolarHBondContact CA-O 3.38Å; I229-L238 HydrophobicContact CB-CD2 4.35Å; I229-L238 HydrophobicContact CG1-CD2 3.94Å; I229-L238 HydrophobicContact CG2-CD2 3.97Å; I229-C263 HydrophobicContact CD1-CB 4.29Å; I229-C263 HydrophobicContact CG1-CB 4.21Å; I229-L266 HydrophobicContact CD1-CB 4.43Å; I229-L266 HydrophobicContact CD1-CD2 3.95Å; I229-L266 HydrophobicContact CD1-CG 4.24Å; I229-L266 HydrophobicContact CG1-CD2 4.29Å; I229-E267 HydrophobicContact CD1-CB 3.49Å; I229-E267 VanDerWaalsContact CD1-CB 3.49Å; I229-E267 HydrophobicContact CD1-CG 4.4Å; I229-L270 HydrophobicContact CD1-CD1 3.87Å |
| 230 | I | 98.8 | Very high | 95 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.036 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 105.8 | -175 | -63.9 | 168 | 0 | 0 | 0 | 109 | A49 F51 I138 L215 Y228 G232 T237 | A49-I230 HydrophobicContact CB-CB 4.41Å; A49-I230 HydrophobicContact CB-CD1 3.57Å; A49-I230 HydrophobicContact CB-CG2 4.48Å; F51-I230 HydrophobicContact CB-CD1 3.86Å; F51-I230 HydrophobicContact CB-CG1 4.43Å; F51-I230 HydrophobicContact CB-CG2 3.95Å; F51-I230 HydrophobicContact CG-CD1 4.49Å; I138-I230 HydrophobicContact CD1-CG2 3.63Å; L215-I230 HydrophobicContact CD1-CD1 4.39Å; L215-I230 HydrophobicContact CD1-CG1 4.16Å; Y228-I230 HydrophobicContact CD2-CD1 3.72Å; Y228-I230 HydrophobicContact CD2-CG1 4.16Å; Y228-I230 HydrophobicContact CE2-CD1 4.21Å; I230-G232 PolarHBondContact O-N 3.34Å; I230-T237 PolarHBondContact N-O 3Å; I230-T237 PolarHBondContact O-N 3.48Å |
| 231 | P | 98.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 26.6 Ų | 26.6 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 124.3 | 172.2 | -22.4 | 32 | 0 | 0 | 0 | 112.2 | I92 I210 H212 V236 | I92-P231 HydrophobicContact CD1-CB 3.8Å; I92-P231 HydrophobicContact CD1-CG 3.83Å; I210-P231 HydrophobicContact CB-CG 4.42Å; I210-P231 HydrophobicContact CG2-CG 3.7Å; I210-P231 WeakPolarHBondContact O-CG 3.42Å; H212-P231 WeakPolarHBondContact O-CD 3.31Å; H212-P231 WeakPolarHBondContact O-CG 3.33Å; P231-V236 HydrophobicContact CB-CG2 4.47Å |
| 232 | G | 97.2 | Very high | 96.4 | Very high | 14 Ų | 14 | 25.1 Ų | 25.1 | 14% | 0.144 | 14% | 0.143 | C | C | . | . | trans | -93.9 | -168.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E140 I230 T235 | E140-G232 WeakPolarHBondContact OE1-CA 3.47Å; I230-G232 PolarHBondContact O-N 3.34Å; G232-T235 VanDerWaalsContact CA-O 3.27Å; G232-T235 WeakPolarHBondContact CA-O 3.16Å; G232-T235 PolarHBondContact N-O 3Å | ||
| 233 | T | 93.6 | Very high | 96.9 | Very high | 64 Ų | 64 | 26.2 Ų | 26.2 | 39% | 0.393 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -68.8 | -42.4 | 179.4 | 58.5 | 0 | 0 | 0 | 0 | 112.1 | F90 E140 | F90-T233 HydrophobicContact CD1-CG2 3.78Å; F90-T233 HydrophobicContact CE1-CG2 3.4Å; F90-T233 HydrophobicContact CZ-CG2 4.34Å; E140-T233 HydrophobicContact CG-CG2 4.46Å; E140-T233 PolarHBondContact OE1-N 3.32Å; E140-T233 PolarHBondContact OE1-OG1 3.12Å; E140-T233 WeakPolarHBondContact OE2-CB 3.49Å; E140-T233 WeakPolarHBondContact OE2-CG2 3.25Å; E140-T233 PolarHBondContact OE2-OG1 3.07Å |
| 234 | Q | 94.7 | Very high | 97.3 | Very high | 162 Ų | 162 | 28.4 Ų | 28.4 | 76% | 0.757 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -115.3 | -26.8 | -174.2 | -65.5 | -179.5 | 42.2 | 0 | 0 | 113.8 | ||
| 235 | T | 97.8 | Very high | 97.6 | Very high | 30 Ų | 30 | 28.6 Ų | 28.6 | 18% | 0.184 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -137.9 | 153 | -174.8 | 58 | 0 | 0 | 0 | 0 | 110.1 | K204 V205 G232 V276 | K204-T235 WeakPolarHBondContact CD-OG1 3.31Å; V205-T235 CarbonylContact O-C 3.54Å; V205-T235 WeakPolarHBondContact O-CA 3.12Å; G232-T235 VanDerWaalsContact CA-O 3.27Å; G232-T235 WeakPolarHBondContact CA-O 3.16Å; G232-T235 PolarHBondContact N-O 3Å; T235-V276 HydrophobicContact CG2-CB 4.4Å; T235-V276 HydrophobicContact CG2-CG1 4.25Å; T235-V276 HydrophobicContact CG2-CG2 4.27Å |
| 236 | V | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.024 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.6 | 171.6 | -178.7 | 0 | 0 | 0 | 0 | 109 | K204 V205 A207 I210 I229 P231 L238 | K204-V236 WeakPolarHBondContact CA-O 3.28Å; V205-V236 HydrophobicContact CG2-CB 3.84Å; V205-V236 HydrophobicContact CG2-CG1 4.45Å; V205-V236 PolarHBondContact N-O 3.23Å; V205-V236 PolarHBondContact O-N 3.24Å; A207-V236 HydrophobicContact CB-CB 4.44Å; A207-V236 HydrophobicContact CB-CG2 3.97Å; A207-V236 WeakPolarHBondContact O-CG2 3.42Å; I210-V236 HydrophobicContact CB-CG2 4.05Å; I210-V236 HydrophobicContact CG2-CG1 4.45Å; I229-V236 HydrophobicContact CG2-CG1 3.51Å; P231-V236 HydrophobicContact CB-CG2 4.47Å; V236-L238 HydrophobicContact CG1-CD2 4.11Å |
| 237 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.3 | 174.6 | -46.4 | 0 | 0 | 0 | 0 | 109.3 | A49 I202 K204 I229 I230 | A49-T237 HydrophobicContact CB-CG2 4Å; I202-T237 HydrophobicContact CB-CG2 3.93Å; I202-T237 HydrophobicContact CD1-CG2 3.78Å; I202-T237 HydrophobicContact CG1-CG2 4.5Å; I202-T237 HydrophobicContact CG2-CG2 3.96Å; K204-T237 WeakPolarHBondContact CE-OG1 3.49Å; K204-T237 PolarHBondContact NZ-OG1 2.82Å; I229-T237 WeakPolarHBondContact CA-O 3.38Å; I230-T237 PolarHBondContact N-O 3Å; I230-T237 PolarHBondContact O-N 3.48Å |
| 238 | L | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 138.5 | 169.8 | -49.2 | -176.6 | 0 | 0 | 0 | 108.6 | I202 I203 V205 Y228 I229 V236 I259 W260 C263 L270 | I202-L238 CarbonylContact C-O 3.49Å; I202-L238 VanDerWaalsContact CA-O 3.3Å; I202-L238 WeakPolarHBondContact CA-O 3.22Å; I202-L238 WeakPolarHBondContact CB-O 3.26Å; I203-L238 HydrophobicContact CB-CB 4.28Å; I203-L238 PolarHBondContact N-O 2.92Å; I203-L238 PolarHBondContact O-N 2.98Å; V205-L238 HydrophobicContact CG1-CD1 3.67Å; V205-L238 HydrophobicContact CG1-CG 4.17Å; V205-L238 HydrophobicContact CG2-CD1 4.17Å; V205-L238 HydrophobicContact CG2-CD2 4.32Å; V205-L238 HydrophobicContact CG2-CG 4.13Å; Y228-L238 WeakPolarHBondContact O-CA 3.34Å; I229-L238 HydrophobicContact CB-CD2 4.35Å; I229-L238 HydrophobicContact CG1-CD2 3.94Å; I229-L238 HydrophobicContact CG2-CD2 3.97Å; V236-L238 HydrophobicContact CG1-CD2 4.11Å; L238-I259 HydrophobicContact CB-CG2 3.76Å; L238-W260 HydrophobicContact CD1-CE3 4.14Å; L238-W260 HydrophobicContact CD1-CZ3 4.13Å; L238-C263 HydrophobicContact CB-CB 4.36Å; L238-C263 HydrophobicContact CD1-CB 4.2Å; L238-C263 HydrophobicContact CD2-CB 4.17Å; L238-C263 HydrophobicContact CG-CB 4.48Å; L238-L270 HydrophobicContact CD1-CD1 4.08Å; L238-L270 HydrophobicContact CD2-CD1 3.69Å; L238-L270 HydrophobicContact CD2-CD2 4.27Å |
| 239 | G | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.5 | -170.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | P227 Y228 | P227-G239 WeakPolarHBondContact CA-O 3.4Å; Y228-G239 VanDerWaalsContact CE1-C 3.44Å; Y228-G239 VanDerWaalsContact CZ-CA 3.43Å; Y228-G239 PolarHBondContact N-O 3.4Å; Y228-G239 PolarHBondContact O-N 2.79Å |
| 240 | G | 97.5 | Very high | 97.7 | Very high | 6 Ų | 6 | 49 Ų | 49 | 6% | 0.062 | 26% | 0.256 | C | S | . | . | trans | 156.7 | 27.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y224 N225 S226 | Y224-G240 CarbonylContact O-C 3.25Å; Y224-G240 WeakPolarHBondContact O-CA 3.3Å; N225-G240 CarbonylContact C-O 3.58Å; S226-G240 WeakPolarHBondContact O-CA 2.95Å | ||
| 241 | I | 98.1 | Very high | 97.7 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | trans | -129.1 | 125.3 | -176 | -58.1 | -66.4 | 0 | 0 | 0 | 109.6 | G200 Y224 Q243 D255 T258 I259 R283 | G200-I241 VanDerWaalsContact CA-O 3.28Å; G200-I241 WeakPolarHBondContact CA-O 3.33Å; Y224-I241 CarbonylContact O-C 3.55Å; Y224-I241 PolarHBondContact O-N 3.41Å; Y224-I241 VanDerWaalsContact O-N 3.14Å; I241-Q243 HydrophobicContact CG2-CG 3.99Å; I241-D255 HydrophobicContact CD1-CB 4.12Å; I241-D255 HydrophobicContact CG1-CB 4.02Å; I241-T258 HydrophobicContact CD1-CG2 3.95Å; I241-I259 HydrophobicContact CG1-CD1 3.75Å; I241-I259 HydrophobicContact CG1-CG1 3.73Å; I241-R283 PolarHBondContact O-NH1 3.49Å | ||
| 242 | F | 97.1 | Very high | 97.7 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 11% | 0.105 | 28% | 0.278 | C | S | . | . | trans | -143.5 | 95.8 | 171.9 | -165.9 | -68.4 | 0 | 0 | 0 | 110.1 | R199 I223 Y224 N225 V285 | R199-F242 CarbonylContact O-C 3.59Å; R199-F242 WeakPolarHBondContact O-CA 3.38Å; I223-F242 HydrophobicContact CG2-CE2 4.42Å; I223-F242 WeakPolarHBondContact O-CB 3.5Å; Y224-F242 HydrophobicContact CD2-CD2 4.1Å; Y224-F242 HydrophobicContact CD2-CE2 4.42Å; N225-F242 PolarHBondContact ND2-O 3.34Å; N225-F242 WeakPolarHBondContact OD1-CA 3.42Å; N225-F242 PolarHBondContact OD1-N 3.11Å; N225-F242 PolarHBondContact OD1-O 3.07Å; F242-V285 HydrophobicContact CE1-CG2 3.93Å; F242-V285 HydrophobicContact CE2-CG2 4.44Å; F242-V285 HydrophobicContact CZ-CG2 3.43Å; F242-V285 VanDerWaalsContact CZ-CG2 3.43Å | ||
| 243 | Q | 97.8 | Very high | 97.8 | Very high | 54 Ų | 54 | 57.2 Ų | 57.2 | 25% | 0.252 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 106.1 | -177.5 | -66 | 165.7 | -12.1 | 0 | 0 | 110.2 | R199 I241 N246 D255 | R199-Q243 HydrophobicContact CB-CB 4.26Å; R199-Q243 PolarHBondContact N-O 2.96Å; R199-Q243 PolarHBondContact O-N 3.31Å; I241-Q243 HydrophobicContact CG2-CG 3.99Å; Q243-N246 HydrophobicContact CB-CB 3.98Å; Q243-N246 PolarHBondContact OE1-ND2 3.41Å; Q243-D255 PolarHBondContact NE2-OD1 2.87Å; Q243-D255 PolarHBondContact NE2-OD2 2.97Å |
| 244 | L | 97.6 | Very high | 98 | Very high | 92 Ų | 92 | 60.1 Ų | 60.1 | 48% | 0.482 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 136.8 | 178.7 | -167.5 | 67.8 | 0 | 0 | 0 | 111.2 | Q196 P197 N246 V285 | Q196-L244 HydrophobicContact CB-CD1 3.83Å; Q196-L244 HydrophobicContact CB-CG 4.34Å; P197-L244 CarbonylContact O-C 3.57Å; P197-L244 WeakPolarHBondContact O-CA 3.39Å; L244-N246 PolarHBondContact O-N 3.23Å; L244-V285 HydrophobicContact CD1-CB 3.74Å; L244-V285 HydrophobicContact CD1-CG1 3.71Å; L244-V285 HydrophobicContact CD1-CG2 4.01Å |
| 245 | G | 97.8 | Very high | 98.2 | Very high | 34 Ų | 34 | 53 Ų | 53 | 35% | 0.351 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | -7.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P197 W247 | P197-G245 PolarHBondContact O-N 3.25Å; G245-W247 PolarHBondContact O-N 3.28Å |
| 246 | N | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 53 Ų | 53 | 29% | 0.289 | 27% | 0.269 | S | S | . | . | trans | -80.9 | 114.9 | 178.5 | -171.8 | -9 | 0 | 0 | 0 | 111.1 | R199 Q243 L244 N248 F282 | R199-N246 HydrophobicContact CB-CB 4.1Å; R199-N246 WeakPolarHBondContact CB-O 3.42Å; R199-N246 VanDerWaalsContact CD-CG 3.48Å; R199-N246 WeakPolarHBondContact CD-ND2 3.43Å; Q243-N246 HydrophobicContact CB-CB 3.98Å; Q243-N246 PolarHBondContact OE1-ND2 3.41Å; L244-N246 PolarHBondContact O-N 3.23Å; N246-N248 WeakPolarHBondContact OD1-CB 3.34Å; N246-N248 PolarHBondContact OD1-N 2.82Å; N246-F282 WeakPolarHBondContact O-CE1 3.49Å | ||
| 247 | W | 98.4 | Very high | 98.2 | Very high | 128 Ų | 128 | 56 Ų | 56 | 49% | 0.485 | 29% | 0.285 | S | S | . | . | trans | -96.6 | 9.3 | 179.6 | -74.5 | 100.2 | 0 | 0 | 0 | 114.3 | V184 W185 P197 G245 E249 F282 | V184-W247 HydrophobicContact CG1-CH2 4.37Å; V184-W247 HydrophobicContact CG1-CZ3 4.19Å; V184-W247 HydrophobicContact CG2-CH2 3.77Å; V184-W247 HydrophobicContact CG2-CZ3 4.19Å; W185-W247 AromaticContact NE1-CZ3 3.87Å; P197-W247 HydrophobicContact CB-CD2 4.13Å; P197-W247 HydrophobicContact CB-CE3 4.17Å; P197-W247 HydrophobicContact CB-CH2 4.39Å; P197-W247 HydrophobicContact CB-CZ2 4.32Å; P197-W247 HydrophobicContact CB-CZ3 4.3Å; P197-W247 VanDerWaalsContact CD-CE2 3.48Å; P197-W247 HydrophobicContact CG-CD2 3.6Å; P197-W247 VanDerWaalsContact CG-CE2 3.42Å; P197-W247 HydrophobicContact CG-CE3 4.17Å; P197-W247 HydrophobicContact CG-CG 3.88Å; P197-W247 HydrophobicContact CG-CH2 4.42Å; P197-W247 HydrophobicContact CG-CZ2 3.89Å; G245-W247 PolarHBondContact O-N 3.28Å; W247-E249 PolarHBondContact O-N 2.96Å; W247-F282 HydrophobicContact CE3-CD2 4.34Å; W247-F282 HydrophobicContact CE3-CE2 4.22Å; W247-F282 HydrophobicContact CZ3-CD2 4.43Å; W247-F282 WeakPolarHBondContact O-CZ 3.34Å | ||
| 248 | N | 98.4 | Very high | 98.2 | Very high | 77 Ų | 77 | 59.6 Ų | 59.6 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | trans | -74.9 | 112.6 | 179.4 | -170.1 | -5 | 0 | 0 | 0 | 111.4 | R199 N246 L250 | R199-N248 VanDerWaalsContact CD-O 3.24Å; R199-N248 WeakPolarHBondContact CD-O 3.42Å; R199-N248 PolarHBondContact NE-O 2.93Å; N246-N248 WeakPolarHBondContact OD1-CB 3.34Å; N246-N248 PolarHBondContact OD1-N 2.82Å; N248-L250 VanDerWaalsContact C-N 3.28Å; N248-L250 PolarHBondContact O-N 3.18Å; N248-L250 WeakPolarHBondContact OD1-CB 3.4Å; N248-L250 PolarHBondContact OD1-N 2.85Å | ||
| 249 | E | 97.3 | Very high | 98.2 | Very high | 136 Ų | 136 | 59.7 Ų | 59.7 | 64% | 0.636 | 31% | 0.307 | S | S | * | . | trans | -75.6 | -15.3 | -180 | -71.8 | -179.6 | -116 | 0 | 0 | 113.6 | W247 T280 F282 | W247-E249 PolarHBondContact O-N 2.96Å; E249-T280 WeakPolarHBondContact O-CB 3.34Å; E249-F282 HydrophobicContact CB-CE2 4.46Å; E249-F282 HydrophobicContact CB-CZ 4.19Å; E249-F282 HydrophobicContact CG-CD2 4.47Å; E249-F282 HydrophobicContact CG-CE2 3.25Å; E249-F282 HydrophobicContact CG-CZ 3.34Å | ||
| 250 | L | 98.3 | Very high | 98.2 | Very high | 125 Ų | 125 | 63.1 Ų | 63.1 | 65% | 0.654 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -80.1 | 144.4 | -177.5 | -58.2 | 179.6 | 0 | 0 | 0 | 111.1 | R199 N248 | R199-L250 PolarHBondContact NH2-O 2.94Å; N248-L250 VanDerWaalsContact C-N 3.28Å; N248-L250 PolarHBondContact O-N 3.18Å; N248-L250 WeakPolarHBondContact OD1-CB 3.4Å; N248-L250 PolarHBondContact OD1-N 2.85Å |
| 251 | N | 98.6 | Very high | 98.2 | Very high | 67 Ų | 67 | 68.5 Ų | 68.5 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | trans | -63.9 | 146.6 | 165.2 | -59.9 | -22.1 | 0 | 0 | 0 | 109.2 | Q201 E278 R279 T280 | Q201-N251 VanDerWaalsContact OE1-CA 3.31Å; N251-E278 PolarHBondContact ND2-O 3.36Å; N251-R279 VanDerWaalsContact OD1-C 3.3Å; N251-T280 PolarHBondContact OD1-N 2.85Å; N251-T280 VanDerWaalsContact OD1-N 3.16Å; N251-T280 PolarHBondContact OD1-OG1 2.87Å | ||
| 252 | N | 98.4 | Very high | 98.2 | Very high | 37 Ų | 37 | 68.8 Ų | 68.8 | 20% | 0.198 | 35% | 0.349 | C | S | . | . | trans | -128.3 | 154.9 | 171.6 | 72.5 | 77.6 | 0 | 0 | 0 | 111.8 | R199 Q201 Q254 D255 H256 | R199-N252 PolarHBondContact NH2-ND2 2.78Å; Q201-N252 PolarHBondContact NE2-O 3.48Å; N252-Q254 PolarHBondContact OD1-N 2.91Å; N252-Q254 PolarHBondContact OD1-OE1 3.4Å; N252-D255 VanDerWaalsContact ND2-CG 3.29Å; N252-D255 PolarHBondContact ND2-OD2 3.45Å; N252-D255 WeakPolarHBondContact OD1-CB 3.44Å; N252-D255 PolarHBondContact OD1-N 2.93Å; N252-H256 PolarHBondContact O-N 3.49Å; N252-H256 VanDerWaalsContact O-N 3.12Å | ||
| 253 | I | 98.4 | Very high | 98.3 | Very high | 98 Ų | 98 | 67.6 Ų | 67.6 | 50% | 0.503 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -72.5 | -28.7 | -172.6 | -169.3 | 60.4 | 0 | 0 | 0 | 112.8 | H256 N257 | I253-H256 HydrophobicContact CD1-CB 4.34Å; I253-H256 WeakPolarHBondContact O-CB 3.49Å; I253-H256 PolarHBondContact O-N 3.45Å; I253-N257 WeakPolarHBondContact O-CB 3.4Å; I253-N257 PolarHBondContact O-N 3.35Å; I253-N257 PolarHBondContact O-ND2 2.62Å; I253-N257 PolarHBondContact O-OD1 3.29Å |
| 254 | Q | 98.6 | Very high | 98.3 | Very high | 125 Ų | 125 | 66.3 Ų | 66.3 | 58% | 0.584 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -66.6 | -45.5 | 178.2 | -68.6 | 77.5 | 10.5 | 0 | 0 | 111.1 | N252 N257 T258 | N252-Q254 PolarHBondContact OD1-N 2.91Å; N252-Q254 PolarHBondContact OD1-OE1 3.4Å; Q254-N257 PolarHBondContact O-N 2.87Å; Q254-T258 WeakPolarHBondContact O-CB 3.42Å; Q254-T258 PolarHBondContact O-N 2.73Å; Q254-T258 PolarHBondContact O-OG1 3.35Å |
| 255 | D | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 70.5 Ų | 70.5 | 6% | 0.059 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.2 | -39.4 | 176.3 | -71.2 | -10 | 0 | 0 | 0 | 111.3 | R199 Q201 I241 Q243 N252 N257 T258 I259 | R199-D255 IonicContact CZ-OD2 3.33Å; R199-D255 IonicContact NH1-OD2 3.82Å; R199-D255 PolarHBondContact NH1-OD2 3.43Å; R199-D255 IonicContact NH2-OD2 3.69Å; Q201-D255 HydrophobicContact CB-CB 4.27Å; I241-D255 HydrophobicContact CD1-CB 4.12Å; I241-D255 HydrophobicContact CG1-CB 4.02Å; Q243-D255 PolarHBondContact NE2-OD1 2.87Å; Q243-D255 PolarHBondContact NE2-OD2 2.97Å; N252-D255 VanDerWaalsContact ND2-CG 3.29Å; N252-D255 PolarHBondContact ND2-OD2 3.45Å; N252-D255 WeakPolarHBondContact OD1-CB 3.44Å; N252-D255 PolarHBondContact OD1-N 2.93Å; D255-N257 PolarHBondContact O-N 2.9Å; D255-T258 PolarHBondContact O-N 2.73Å; D255-I259 WeakPolarHBondContact O-CD1 3.38Å; D255-I259 VanDerWaalsContact O-CG1 3.25Å; D255-I259 WeakPolarHBondContact O-CG1 3.45Å; D255-I259 PolarHBondContact O-N 2.84Å |
| 256 | H | 98.7 | Very high | 98.2 | Very high | 32 Ų | 32 | 69.9 Ų | 69.9 | 15% | 0.148 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -54.4 | -53.9 | 172.8 | 177.8 | 102.8 | 0 | 0 | 0 | 111 | N252 I253 T258 I259 W260 E278 | N252-H256 PolarHBondContact O-N 3.49Å; N252-H256 VanDerWaalsContact O-N 3.12Å; I253-H256 HydrophobicContact CD1-CB 4.34Å; I253-H256 WeakPolarHBondContact O-CB 3.49Å; I253-H256 PolarHBondContact O-N 3.45Å; H256-T258 VanDerWaalsContact C-N 3.34Å; H256-T258 PolarHBondContact O-N 3.12Å; H256-I259 PolarHBondContact O-N 2.89Å; H256-W260 VanDerWaalsContact O-CB 3.31Å; H256-W260 WeakPolarHBondContact O-CB 3.33Å; H256-W260 PolarHBondContact O-N 2.81Å; H256-E278 WeakPolarHBondContact CB-OE1 3.4Å; H256-E278 IonicContact CE1-OE2 3.6Å; H256-E278 IonicContact CG-OE1 3.99Å; H256-E278 IonicContact CG-OE2 3.74Å; H256-E278 VanDerWaalsContact ND1-CD 3.27Å; H256-E278 IonicContact ND1-OE1 3.12Å; H256-E278 PolarHBondContact ND1-OE1 3.48Å; H256-E278 VanDerWaalsContact ND1-OE1 3.11Å; H256-E278 IonicContact ND1-OE2 2.62Å; H256-E278 PolarHBondContact ND1-OE2 2.57Å |
| 257 | N | 98.6 | Very high | 98.2 | Very high | 65 Ų | 65 | 69.3 Ų | 69.3 | 35% | 0.348 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.7 | -42.8 | -178.2 | -67.3 | -12.4 | 0 | 0 | 0 | 111 | I253 Q254 D255 I259 W260 E261 | I253-N257 WeakPolarHBondContact O-CB 3.4Å; I253-N257 PolarHBondContact O-N 3.35Å; I253-N257 PolarHBondContact O-ND2 2.62Å; I253-N257 PolarHBondContact O-OD1 3.29Å; Q254-N257 PolarHBondContact O-N 2.87Å; D255-N257 PolarHBondContact O-N 2.9Å; N257-I259 PolarHBondContact O-N 3.5Å; N257-W260 PolarHBondContact O-N 2.83Å; N257-E261 VanDerWaalsContact O-CB 3.23Å; N257-E261 WeakPolarHBondContact O-CB 3.37Å; N257-E261 VanDerWaalsContact O-CG 3.26Å; N257-E261 WeakPolarHBondContact O-CG 3.01Å; N257-E261 PolarHBondContact O-N 3.16Å |
| 258 | T | 98.4 | Very high | 98.1 | Very high | 77 Ų | 77 | 67 Ų | 67 | 47% | 0.472 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -56 | -48.9 | 175.9 | -57.9 | 0 | 0 | 0 | 0 | 111.6 | I241 Q254 D255 H256 G262 | I241-T258 HydrophobicContact CD1-CG2 3.95Å; Q254-T258 WeakPolarHBondContact O-CB 3.42Å; Q254-T258 PolarHBondContact O-N 2.73Å; Q254-T258 PolarHBondContact O-OG1 3.35Å; D255-T258 PolarHBondContact O-N 2.73Å; H256-T258 VanDerWaalsContact C-N 3.34Å; H256-T258 PolarHBondContact O-N 3.12Å; T258-G262 PolarHBondContact O-N 3.19Å |
| 259 | I | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.4 | -49.9 | 179.3 | -66 | 163.3 | 0 | 0 | 0 | 110.7 | Q201 I203 L238 I241 D255 H256 N257 C263 | Q201-I259 HydrophobicContact CB-CD1 4.08Å; Q201-I259 HydrophobicContact CG-CD1 4.31Å; Q201-I259 WeakPolarHBondContact O-CD1 3.14Å; I203-I259 HydrophobicContact CB-CG2 4.46Å; I203-I259 HydrophobicContact CD1-CB 4.08Å; I203-I259 HydrophobicContact CD1-CG2 3.86Å; I203-I259 HydrophobicContact CG1-CG2 4.04Å; L238-I259 HydrophobicContact CB-CG2 3.76Å; I241-I259 HydrophobicContact CG1-CD1 3.75Å; I241-I259 HydrophobicContact CG1-CG1 3.73Å; D255-I259 WeakPolarHBondContact O-CD1 3.38Å; D255-I259 VanDerWaalsContact O-CG1 3.25Å; D255-I259 WeakPolarHBondContact O-CG1 3.45Å; D255-I259 PolarHBondContact O-N 2.84Å; H256-I259 PolarHBondContact O-N 2.89Å; N257-I259 PolarHBondContact O-N 3.5Å; I259-C263 VanDerWaalsContact O-CB 3.23Å; I259-C263 WeakPolarHBondContact O-CB 3.33Å; I259-C263 PolarHBondContact O-N 3.39Å; I259-C263 PolarHBondContact O-SG 2.92Å |
| 260 | W | 98.5 | Very high | 98.1 | Very high | 72 Ų | 72 | 60 Ų | 60 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.1 | -47 | -173.9 | -175.8 | -105 | 0 | 0 | 0 | 112.1 | I203 V205 L238 H256 N257 G264 I275 | I203-W260 HydrophobicContact CD1-CB 4.16Å; I203-W260 HydrophobicContact CD1-CE3 4.39Å; V205-W260 HydrophobicContact CG1-CZ3 3.95Å; L238-W260 HydrophobicContact CD1-CE3 4.14Å; L238-W260 HydrophobicContact CD1-CZ3 4.13Å; H256-W260 VanDerWaalsContact O-CB 3.31Å; H256-W260 WeakPolarHBondContact O-CB 3.33Å; H256-W260 PolarHBondContact O-N 2.81Å; N257-W260 PolarHBondContact O-N 2.83Å; W260-G264 WeakPolarHBondContact O-CA 3.44Å; W260-G264 PolarHBondContact O-N 3.42Å; W260-I275 HydrophobicContact CE3-CD1 4.07Å; W260-I275 HydrophobicContact CE3-CG1 4.32Å; W260-I275 HydrophobicContact CH2-CD1 4.32Å; W260-I275 HydrophobicContact CH2-CG1 4.12Å; W260-I275 HydrophobicContact CZ3-CD1 3.9Å; W260-I275 HydrophobicContact CZ3-CG1 3.71Å |
| 261 | E | 98.1 | Very high | 97.8 | Very high | 119 Ų | 119 | 61.7 Ų | 61.7 | 56% | 0.556 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -69.8 | -42 | 179 | -66.5 | 174.6 | -172.3 | 0 | 0 | 111.7 | N257 G264 R265 | N257-E261 VanDerWaalsContact O-CB 3.23Å; N257-E261 WeakPolarHBondContact O-CB 3.37Å; N257-E261 VanDerWaalsContact O-CG 3.26Å; N257-E261 WeakPolarHBondContact O-CG 3.01Å; N257-E261 PolarHBondContact O-N 3.16Å; E261-G264 PolarHBondContact O-N 3.25Å; E261-R265 WeakPolarHBondContact O-CB 3.26Å; E261-R265 PolarHBondContact O-N 2.91Å |
| 262 | G | 97.6 | Very high | 97.4 | Very high | 16 Ų | 16 | 64.4 Ų | 64.4 | 17% | 0.165 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.2 | -51.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T258 G264 R265 L266 | T258-G262 PolarHBondContact O-N 3.19Å; G262-G264 PolarHBondContact O-N 3.2Å; G262-R265 PolarHBondContact O-N 3.37Å; G262-L266 PolarHBondContact O-N 3.11Å; G262-L266 VanDerWaalsContact O-N 3.11Å |
| 263 | C | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.6 | -36.8 | 177 | -66 | 0 | 0 | 0 | 0 | 112 | I229 L238 I259 R265 L266 E267 L270 | I229-C263 HydrophobicContact CD1-CB 4.29Å; I229-C263 HydrophobicContact CG1-CB 4.21Å; L238-C263 HydrophobicContact CB-CB 4.36Å; L238-C263 HydrophobicContact CD1-CB 4.2Å; L238-C263 HydrophobicContact CD2-CB 4.17Å; L238-C263 HydrophobicContact CG-CB 4.48Å; I259-C263 VanDerWaalsContact O-CB 3.23Å; I259-C263 WeakPolarHBondContact O-CB 3.33Å; I259-C263 PolarHBondContact O-N 3.39Å; I259-C263 PolarHBondContact O-SG 2.92Å; C263-R265 VanDerWaalsContact C-N 3.31Å; C263-R265 PolarHBondContact O-N 3.23Å; C263-L266 PolarHBondContact O-N 3.5Å; C263-E267 PolarHBondContact O-N 2.8Å; C263-L270 HydrophobicContact CB-CD1 3.95Å |
| 264 | G | 97.9 | Very high | 97.4 | Very high | 27 Ų | 27 | 65.8 Ų | 65.8 | 28% | 0.278 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67 | -28.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | W260 E261 G262 E267 P268 | W260-G264 WeakPolarHBondContact O-CA 3.44Å; W260-G264 PolarHBondContact O-N 3.42Å; E261-G264 PolarHBondContact O-N 3.25Å; G262-G264 PolarHBondContact O-N 3.2Å; G264-E267 CarbonylContact O-C 3.59Å; G264-P268 VanDerWaalsContact O-CA 3.3Å; G264-P268 WeakPolarHBondContact O-CA 3.39Å |
| 265 | R | 97.1 | Very high | 97.4 | Very high | 179 Ų | 179 | 63.1 Ų | 63.1 | 68% | 0.675 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -72.8 | -42.5 | 171.1 | -165.3 | -172 | -49.2 | -167.2 | 5.3 | 111.5 | E261 G262 C263 | E261-R265 WeakPolarHBondContact O-CB 3.26Å; E261-R265 PolarHBondContact O-N 2.91Å; G262-R265 PolarHBondContact O-N 3.37Å; C263-R265 VanDerWaalsContact C-N 3.31Å; C263-R265 PolarHBondContact O-N 3.23Å |
| 266 | L | 97.3 | Very high | 97.4 | Very high | 22 Ų | 22 | 65.8 Ų | 65.8 | 12% | 0.115 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.5 | -40.1 | 180 | -177.1 | 62.7 | 0 | 0 | 0 | 112.7 | L97 F125 Y128 I214 T216 P227 I229 G262 C263 | L97-L266 HydrophobicContact CD1-CD1 4.12Å; F125-L266 HydrophobicContact CD1-CD1 4.14Å; Y128-L266 HydrophobicContact CE2-CD1 3.88Å; I214-L266 HydrophobicContact CB-CD2 4.31Å; I214-L266 HydrophobicContact CG2-CD1 4.11Å; I214-L266 HydrophobicContact CG2-CD2 3.73Å; I214-L266 HydrophobicContact CG2-CG 4.07Å; T216-L266 HydrophobicContact CG2-CD1 3.72Å; T216-L266 HydrophobicContact CG2-CD2 3.55Å; T216-L266 HydrophobicContact CG2-CG 4.28Å; P227-L266 HydrophobicContact CB-CD2 4.21Å; I229-L266 HydrophobicContact CD1-CB 4.43Å; I229-L266 HydrophobicContact CD1-CD2 3.95Å; I229-L266 HydrophobicContact CD1-CG 4.24Å; I229-L266 HydrophobicContact CG1-CD2 4.29Å; G262-L266 PolarHBondContact O-N 3.11Å; G262-L266 VanDerWaalsContact O-N 3.11Å; C263-L266 PolarHBondContact O-N 3.5Å |
| 267 | E | 97.8 | Very high | 97.4 | Very high | 41 Ų | 41 | 67 Ų | 67 | 19% | 0.192 | 34% | 0.338 | C | S | . | . | trans | -133 | 86.7 | 178.6 | 177.9 | 46.4 | -96.8 | 0 | 0 | 110.2 | I210 I229 C263 G264 T269 L270 | I210-E267 HydrophobicContact CD1-CG 3.57Å; I229-E267 HydrophobicContact CD1-CB 3.49Å; I229-E267 VanDerWaalsContact CD1-CB 3.49Å; I229-E267 HydrophobicContact CD1-CG 4.4Å; C263-E267 PolarHBondContact O-N 2.8Å; G264-E267 CarbonylContact O-C 3.59Å; E267-T269 PolarHBondContact O-N 2.91Å; E267-T269 WeakPolarHBondContact OE1-CB 3.2Å; E267-T269 WeakPolarHBondContact OE1-CG2 3.22Å; E267-T269 PolarHBondContact OE1-N 3.22Å; E267-T269 PolarHBondContact OE1-OG1 3.37Å; E267-L270 HydrophobicContact CB-CD1 4.02Å; E267-L270 HydrophobicContact CB-CG 4.16Å; E267-L270 HydrophobicContact CG-CD1 4.3Å; E267-L270 HydrophobicContact CG-CG 3.94Å; E267-L270 VanDerWaalsContact O-CB 3.31Å; E267-L270 WeakPolarHBondContact O-CB 3.32Å; E267-L270 WeakPolarHBondContact O-CG 3.34Å; E267-L270 PolarHBondContact O-N 2.67Å | ||
| 268 | P | 97.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 66 Ų | 66 | 53% | 0.526 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -60.7 | -16.9 | -175.1 | -27 | 36.3 | 0 | 0 | 0 | 115.3 | G264 L270 K271 | G264-P268 VanDerWaalsContact O-CA 3.3Å; G264-P268 WeakPolarHBondContact O-CA 3.39Å; P268-L270 PolarHBondContact O-N 2.9Å; P268-K271 WeakPolarHBondContact O-CD 3.31Å; P268-K271 VanDerWaalsContact O-CG 3.31Å; P268-K271 WeakPolarHBondContact O-CG 3.47Å; P268-K271 PolarHBondContact O-N 2.97Å |
| 269 | T | 97.5 | Very high | 97.3 | Very high | 61 Ų | 61 | 66.1 Ų | 66.1 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -69.2 | -18.2 | 174.8 | 68.3 | 0 | 0 | 0 | 0 | 112.7 | W209 E267 K271 N272 | W209-T269 PolarHBondContact NE1-OG1 3.01Å; E267-T269 PolarHBondContact O-N 2.91Å; E267-T269 WeakPolarHBondContact OE1-CB 3.2Å; E267-T269 WeakPolarHBondContact OE1-CG2 3.22Å; E267-T269 PolarHBondContact OE1-N 3.22Å; E267-T269 PolarHBondContact OE1-OG1 3.37Å; T269-K271 PolarHBondContact O-N 2.92Å; T269-K271 VanDerWaalsContact O-N 3.15Å; T269-N272 PolarHBondContact O-N 3.44Å |
| 270 | L | 97.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -62.9 | -16.8 | 175.7 | -72.9 | 174.9 | 0 | 0 | 0 | 113.9 | V205 A207 I229 L238 C263 E267 P268 N272 A273 | V205-L270 HydrophobicContact CG2-CD2 4.07Å; A207-L270 HydrophobicContact CB-CD2 3.96Å; I229-L270 HydrophobicContact CD1-CD1 3.87Å; L238-L270 HydrophobicContact CD1-CD1 4.08Å; L238-L270 HydrophobicContact CD2-CD1 3.69Å; L238-L270 HydrophobicContact CD2-CD2 4.27Å; C263-L270 HydrophobicContact CB-CD1 3.95Å; E267-L270 HydrophobicContact CB-CD1 4.02Å; E267-L270 HydrophobicContact CB-CG 4.16Å; E267-L270 HydrophobicContact CG-CD1 4.3Å; E267-L270 HydrophobicContact CG-CG 3.94Å; E267-L270 VanDerWaalsContact O-CB 3.31Å; E267-L270 WeakPolarHBondContact O-CB 3.32Å; E267-L270 WeakPolarHBondContact O-CG 3.34Å; E267-L270 PolarHBondContact O-N 2.67Å; P268-L270 PolarHBondContact O-N 2.9Å; L270-N272 PolarHBondContact O-N 2.93Å; L270-A273 HydrophobicContact CD2-CB 4.04Å; L270-A273 VanDerWaalsContact O-CB 3.25Å; L270-A273 WeakPolarHBondContact O-CB 3.31Å; L270-A273 PolarHBondContact O-N 3.39Å |
| 271 | K | 92.3 | Very high | 97.3 | Very high | 162 Ų | 162 | 64.3 Ų | 64.3 | 70% | 0.704 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -55.1 | -23.8 | 176.6 | 72 | -173.5 | 178.6 | -177.3 | 0 | 114.1 | P268 T269 | P268-K271 WeakPolarHBondContact O-CD 3.31Å; P268-K271 VanDerWaalsContact O-CG 3.31Å; P268-K271 WeakPolarHBondContact O-CG 3.47Å; P268-K271 PolarHBondContact O-N 2.97Å; T269-K271 PolarHBondContact O-N 2.92Å; T269-K271 VanDerWaalsContact O-N 3.15Å |
| 272 | N | 90.9 | Very high | 97.3 | Very high | 124 Ų | 124 | 58.9 Ų | 58.9 | 66% | 0.663 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -102.2 | -2 | 178.4 | -61.5 | -35.6 | 0 | 0 | 0 | 112.8 | T269 L270 | T269-N272 PolarHBondContact O-N 3.44Å; L270-N272 PolarHBondContact O-N 2.93Å |
| 273 | A | 97.9 | Very high | 97.4 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 134.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V205 A207 W209 L270 | V205-A273 HydrophobicContact CB-CB 4.07Å; V205-A273 HydrophobicContact CG2-CB 4.19Å; A207-A273 HydrophobicContact CB-CB 3.94Å; W209-A273 HydrophobicContact CH2-CB 4.33Å; W209-A273 HydrophobicContact CZ2-CB 4.26Å; L270-A273 HydrophobicContact CD2-CB 4.04Å; L270-A273 VanDerWaalsContact O-CB 3.25Å; L270-A273 WeakPolarHBondContact O-CB 3.31Å; L270-A273 PolarHBondContact O-N 3.39Å |
| 274 | R | 98.3 | Very high | 97.4 | Very high | 153 Ų | 153 | 60.6 Ų | 60.6 | 58% | 0.577 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.4 | 175.9 | 179 | 179.2 | 62 | 96.8 | 3.5 | 109.1 | V205 D206 V276 | V205-R274 CarbonylContact C-O 3.55Å; V205-R274 WeakPolarHBondContact CA-O 3.46Å; D206-R274 HydrophobicContact CB-CB 4.27Å; D206-R274 PolarHBondContact N-O 3.43Å; D206-R274 IonicContact OD2-CZ 3.6Å; D206-R274 IonicContact OD2-NE 3.23Å; D206-R274 IonicContact OD2-NH2 3.1Å; D206-R274 PolarHBondContact OD2-NH2 3.22Å; R274-V276 PolarHBondContact O-N 3.47Å |
| 275 | I | 98.5 | Very high | 97.4 | Very high | 70 Ų | 70 | 60.6 Ų | 60.6 | 36% | 0.359 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 129.8 | 170.3 | -62.1 | 172.9 | 0 | 0 | 0 | 108.9 | I203 V205 W260 | I203-I275 HydrophobicContact CG2-CB 4.47Å; I203-I275 HydrophobicContact CG2-CD1 4.24Å; I203-I275 HydrophobicContact CG2-CG1 3.98Å; I203-I275 HydrophobicContact CG2-CG2 3.83Å; V205-I275 HydrophobicContact CG1-CG1 4.2Å; W260-I275 HydrophobicContact CE3-CD1 4.07Å; W260-I275 HydrophobicContact CE3-CG1 4.32Å; W260-I275 HydrophobicContact CH2-CD1 4.32Å; W260-I275 HydrophobicContact CH2-CG1 4.12Å; W260-I275 HydrophobicContact CZ3-CD1 3.9Å; W260-I275 HydrophobicContact CZ3-CG1 3.71Å |
| 276 | V | 98.3 | Very high | 97.4 | Very high | 66 Ų | 66 | 54.3 Ų | 54.3 | 40% | 0.4 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | -41.8 | -178.3 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | K204 D206 T235 R274 | K204-V276 PolarHBondContact O-N 3.02Å; D206-V276 HydrophobicContact CB-CG2 3.84Å; T235-V276 HydrophobicContact CG2-CB 4.4Å; T235-V276 HydrophobicContact CG2-CG1 4.25Å; T235-V276 HydrophobicContact CG2-CG2 4.27Å; R274-V276 PolarHBondContact O-N 3.47Å |
| 277 | D | 97.8 | Very high | 97.3 | Very high | 58 Ų | 58 | 57.2 Ų | 57.2 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 161 | -177.1 | -159.8 | 0.4 | 0 | 0 | 0 | 110.3 | K204 R279 | K204-D277 HydrophobicContact CB-CB 4.06Å; K204-D277 HydrophobicContact CG-CB 4.45Å; K204-D277 PolarHBondContact N-O 2.69Å; K204-D277 PolarHBondContact O-N 3.44Å; D277-R279 IonicContact OD2-CZ 3.26Å; D277-R279 VanDerWaalsContact OD2-CZ 3.25Å; D277-R279 IonicContact OD2-NE 2.83Å; D277-R279 PolarHBondContact OD2-NE 2.96Å; D277-R279 IonicContact OD2-NH2 3.64Å; D277-R279 PolarHBondContact OD2-NH2 3.44Å |
| 278 | E | 98.4 | Very high | 97.2 | Very high | 44 Ų | 44 | 59 Ų | 59 | 21% | 0.206 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 128.4 | 172.6 | -172.3 | 171.3 | -168.7 | 0 | 0 | 109.6 | Q201 I202 I203 N251 H256 | Q201-E278 HydrophobicContact CG-CG 4.4Å; Q201-E278 PolarHBondContact NE2-OE1 3Å; I202-E278 WeakPolarHBondContact O-CA 3.34Å; I202-E278 WeakPolarHBondContact O-CG 3.42Å; I203-E278 HydrophobicContact CG1-CG 4.11Å; N251-E278 PolarHBondContact ND2-O 3.36Å; H256-E278 WeakPolarHBondContact CB-OE1 3.4Å; H256-E278 IonicContact CE1-OE2 3.6Å; H256-E278 IonicContact CG-OE1 3.99Å; H256-E278 IonicContact CG-OE2 3.74Å; H256-E278 VanDerWaalsContact ND1-CD 3.27Å; H256-E278 IonicContact ND1-OE1 3.12Å; H256-E278 PolarHBondContact ND1-OE1 3.48Å; H256-E278 VanDerWaalsContact ND1-OE1 3.11Å; H256-E278 IonicContact ND1-OE2 2.62Å; H256-E278 PolarHBondContact ND1-OE2 2.57Å |
| 279 | R | 97.8 | Very high | 97.3 | Very high | 79 Ų | 79 | 55.5 Ų | 55.5 | 30% | 0.298 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 149.4 | -172.5 | -64.3 | -167.6 | -173.8 | -152.1 | -4.1 | 112.8 | P41 V47 Q201 I202 N251 D277 | P41-R279 PolarHBondContact O-NH1 3.16Å; V47-R279 HydrophobicContact CG1-CB 3.91Å; V47-R279 HydrophobicContact CG2-CB 4.32Å; Q201-R279 CarbonylContact C-O 3.52Å; Q201-R279 WeakPolarHBondContact CA-O 3.46Å; I202-R279 HydrophobicContact CG1-CB 4.28Å; I202-R279 WeakPolarHBondContact CG1-O 3.23Å; I202-R279 PolarHBondContact N-O 3.03Å; I202-R279 PolarHBondContact O-N 3Å; N251-R279 VanDerWaalsContact OD1-C 3.3Å; D277-R279 IonicContact OD2-CZ 3.26Å; D277-R279 VanDerWaalsContact OD2-CZ 3.25Å; D277-R279 IonicContact OD2-NE 2.83Å; D277-R279 PolarHBondContact OD2-NE 2.96Å; D277-R279 IonicContact OD2-NH2 3.64Å; D277-R279 PolarHBondContact OD2-NH2 3.44Å |
| 280 | T | 98.6 | Very high | 97.3 | Very high | 23 Ų | 23 | 53.8 Ų | 53.8 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 142.5 | 169.6 | -66.3 | 0 | 0 | 0 | 0 | 109.6 | R199 G200 E249 N251 F282 | R199-T280 HydrophobicContact CG-CG2 3.74Å; R199-T280 PolarHBondContact NH2-OG1 2.81Å; G200-T280 CarbonylContact O-C 3.09Å; G200-T280 VanDerWaalsContact O-CA 3.31Å; G200-T280 WeakPolarHBondContact O-CA 3.44Å; E249-T280 WeakPolarHBondContact O-CB 3.34Å; N251-T280 PolarHBondContact OD1-N 2.85Å; N251-T280 VanDerWaalsContact OD1-N 3.16Å; N251-T280 PolarHBondContact OD1-OG1 2.87Å; T280-F282 HydrophobicContact CG2-CE1 4.44Å |
| 281 | G | 98 | Very high | 97.4 | Very high | 12 Ų | 12 | 54.8 Ų | 54.8 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 160.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | R199 G200 | R199-G281 WeakPolarHBondContact CA-O 3.35Å; G200-G281 PolarHBondContact N-O 3.37Å; G200-G281 PolarHBondContact O-N 3.11Å |
| 282 | F | 98.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.026 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 111.3 | -179.1 | -57.4 | -47.7 | 0 | 0 | 0 | 111.5 | T44 V184 W185 P197 R199 N246 W247 E249 T280 | T44-F282 WeakPolarHBondContact CG2-O 3.23Å; T44-F282 PolarHBondContact OG1-O 2.78Å; V184-F282 HydrophobicContact CB-CB 4.47Å; V184-F282 HydrophobicContact CG1-CB 3.94Å; V184-F282 HydrophobicContact CG2-CB 4.37Å; W185-F282 HydrophobicContact CZ2-CD2 4.08Å; P197-F282 HydrophobicContact CB-CB 4.1Å; P197-F282 HydrophobicContact CB-CD1 4.02Å; P197-F282 HydrophobicContact CB-CG 4.13Å; R199-F282 HydrophobicContact CB-CD1 3.91Å; R199-F282 HydrophobicContact CB-CE1 3.98Å; R199-F282 HydrophobicContact CG-CD1 4.14Å; R199-F282 HydrophobicContact CG-CE1 3.86Å; N246-F282 WeakPolarHBondContact O-CE1 3.49Å; W247-F282 HydrophobicContact CE3-CD2 4.34Å; W247-F282 HydrophobicContact CE3-CE2 4.22Å; W247-F282 HydrophobicContact CZ3-CD2 4.43Å; W247-F282 WeakPolarHBondContact O-CZ 3.34Å; E249-F282 HydrophobicContact CB-CE2 4.46Å; E249-F282 HydrophobicContact CB-CZ 4.19Å; E249-F282 HydrophobicContact CG-CD2 4.47Å; E249-F282 HydrophobicContact CG-CE2 3.25Å; E249-F282 HydrophobicContact CG-CZ 3.34Å; T280-F282 HydrophobicContact CG2-CE1 4.44Å |
| 283 | R | 98.5 | Very high | 98 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 13% | 0.132 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 129.9 | 169.9 | -65 | 172.2 | -175.6 | 100.1 | -3.2 | 108.8 | G198 G200 I241 V285 G312 | G198-R283 PolarHBondContact N-O 3.07Å; G198-R283 WeakPolarHBondContact O-CB 3.36Å; G198-R283 WeakPolarHBondContact O-CG 3.26Å; G198-R283 PolarHBondContact O-N 3.18Å; G200-R283 VanDerWaalsContact CA-NH1 3.25Å; I241-R283 PolarHBondContact O-NH1 3.49Å; R283-V285 VanDerWaalsContact C-N 3.29Å; R283-V285 HydrophobicContact CB-CG2 4.12Å; R283-V285 PolarHBondContact O-N 3.38Å; R283-G312 WeakPolarHBondContact CB-O 3.4Å |
| 284 | P | 98.4 | Very high | 98 | Very high | 16 Ų | 16 | 50.5 Ų | 50.5 | 10% | 0.104 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 77.9 | 176.5 | 30.6 | -36.3 | 0 | 0 | 0 | 110.9 | V184 L195 R286 G310 H311 G312 | V184-P284 HydrophobicContact CB-CB 4.01Å; L195-P284 HydrophobicContact CD1-CB 4Å; P284-R286 PolarHBondContact O-N 3.47Å; P284-G310 CarbonylContact O-C 3.55Å; P284-G310 VanDerWaalsContact O-CA 3.22Å; P284-G310 WeakPolarHBondContact O-CA 3.26Å; P284-H311 PolarHBondContact O-N 2.9Å; P284-G312 WeakPolarHBondContact CD-O 3.31Å; P284-G312 WeakPolarHBondContact O-CA 3.46Å; P284-G312 PolarHBondContact O-N 3.3Å |
| 285 | V | 98.3 | Very high | 97.9 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 17% | 0.17 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 126.3 | -174.5 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | L195 Q196 F242 L244 R283 | L195-V285 CarbonylContact C-O 3.58Å; L195-V285 WeakPolarHBondContact CA-O 3.45Å; Q196-V285 PolarHBondContact N-O 3.28Å; Q196-V285 WeakPolarHBondContact O-CB 3.46Å; Q196-V285 PolarHBondContact O-N 2.86Å; F242-V285 HydrophobicContact CE1-CG2 3.93Å; F242-V285 HydrophobicContact CE2-CG2 4.44Å; F242-V285 HydrophobicContact CZ-CG2 3.43Å; F242-V285 VanDerWaalsContact CZ-CG2 3.43Å; L244-V285 HydrophobicContact CD1-CB 3.74Å; L244-V285 HydrophobicContact CD1-CG1 3.71Å; L244-V285 HydrophobicContact CD1-CG2 4.01Å; R283-V285 VanDerWaalsContact C-N 3.29Å; R283-V285 HydrophobicContact CB-CG2 4.12Å; R283-V285 PolarHBondContact O-N 3.38Å |
| 286 | R | 97.8 | Very high | 97.7 | Very high | 46 Ų | 46 | 47 Ų | 47 | 17% | 0.174 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 151.5 | 173.5 | -164.7 | 172.7 | -179.2 | -80 | 0.2 | 107.4 | D192 L194 L195 P284 E288 | D192-R286 IonicContact OD1-NE 2.58Å; D192-R286 IonicContact OD1-NH2 3.74Å; D192-R286 IonicContact OD2-CZ 3.62Å; D192-R286 IonicContact OD2-NE 3.48Å; D192-R286 PolarHBondContact OD2-NE 2.89Å; D192-R286 IonicContact OD2-NH2 2.76Å; L194-R286 HydrophobicContact CB-CG 3.99Å; L195-R286 HydrophobicContact CD1-CB 4.27Å; P284-R286 PolarHBondContact O-N 3.47Å; R286-E288 VanDerWaalsContact CD-O 3.3Å; R286-E288 WeakPolarHBondContact CD-O 3.47Å; R286-E288 VanDerWaalsContact CG-O 3.26Å; R286-E288 WeakPolarHBondContact CG-O 3.39Å; R286-E288 PolarHBondContact NH1-O 3.27Å; R286-E288 PolarHBondContact O-N 3.45Å |
| 287 | P | 95.5 | Very high | 97.3 | Very high | 84 Ų | 84 | 53.3 Ų | 53.3 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | -34.8 | 178.3 | -28.2 | 36.3 | 0 | 0 | 0 | 113.6 | ||
| 288 | E | 95.6 | Very high | 96.7 | Very high | 78 Ų | 78 | 51.2 Ų | 51.2 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 151.8 | 174.3 | -67.2 | 176.7 | -166.3 | 0 | 0 | 109 | S60 N61 R286 R290 | S60-E288 VanDerWaalsContact CB-OE1 3.3Å; S60-E288 WeakPolarHBondContact CB-OE1 3.07Å; N61-E288 HydrophobicContact CB-CB 4.44Å; N61-E288 HydrophobicContact CB-CG 4.05Å; R286-E288 VanDerWaalsContact CD-O 3.3Å; R286-E288 WeakPolarHBondContact CD-O 3.47Å; R286-E288 VanDerWaalsContact CG-O 3.26Å; R286-E288 WeakPolarHBondContact CG-O 3.39Å; R286-E288 PolarHBondContact NH1-O 3.27Å; R286-E288 PolarHBondContact O-N 3.45Å; E288-R290 PolarHBondContact O-N 3.5Å |
| 289 | I | 98.4 | Very high | 96 | Very high | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 132.3 | 172.8 | -68.3 | 167.8 | 0 | 0 | 0 | 109.6 | E64 W67 L291 H311 Y314 I318 | E64-I289 HydrophobicContact CG-CD1 4.06Å; E64-I289 PolarHBondContact OE1-N 2.96Å; W67-I289 HydrophobicContact CE3-CD1 4.39Å; W67-I289 HydrophobicContact CZ3-CB 4.34Å; W67-I289 HydrophobicContact CZ3-CD1 4.36Å; W67-I289 HydrophobicContact CZ3-CG2 4.4Å; I289-L291 HydrophobicContact CG2-CB 4Å; I289-L291 PolarHBondContact O-N 2.59Å; I289-H311 HydrophobicContact CD1-CB 4.48Å; I289-Y314 HydrophobicContact CD1-CE2 3.89Å; I289-I318 HydrophobicContact CD1-CD1 3.67Å; I289-I318 HydrophobicContact CD1-CG2 4.16Å |
| 290 | R | 98.6 | Very high | 95.2 | Very high | 24 Ų | 24 | 54 Ų | 54 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 95.1 | 169.3 | -163.1 | -177.7 | -175.7 | -158 | -12.7 | 108.7 | E288 E292 E294 H307 N308 Y309 | E288-R290 PolarHBondContact O-N 3.5Å; R290-E292 HydrophobicContact CG-CG 4.12Å; R290-E292 IonicContact CZ-OE1 3.35Å; R290-E292 VanDerWaalsContact CZ-OE1 3.25Å; R290-E292 IonicContact NE-OE1 2.64Å; R290-E292 PolarHBondContact NE-OE1 2.81Å; R290-E292 IonicContact NH2-OE1 3.11Å; R290-E292 PolarHBondContact NH2-OE1 3Å; R290-E294 IonicContact NH2-OE2 3.77Å; R290-E294 PolarHBondContact NH2-OE2 2.86Å; R290-H307 HydrophobicContact CG-CB 4.08Å; R290-H307 CarbonylContact O-C 3.59Å; R290-N308 WeakPolarHBondContact O-CA 3.48Å; R290-N308 PolarHBondContact O-N 2.7Å; R290-Y309 HydrophobicContact CB-CD2 4.47Å; R290-Y309 HydrophobicContact CB-CE1 4.15Å; R290-Y309 HydrophobicContact CB-CE2 4.08Å; R290-Y309 WeakPolarHBondContact CD-OH 3.35Å; R290-Y309 HydrophobicContact CG-CE1 4.34Å; R290-Y309 PolarHBondContact N-O 3.33Å; R290-Y309 PolarHBondContact NH1-OH 2.65Å; R290-Y309 PolarHBondContact O-N 2.86Å |
| 291 | L | 98.8 | Very high | 94.3 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 89.7 | 174.9 | -177.3 | 51 | 0 | 0 | 0 | 110.4 | W67 I289 H307 N308 C322 E325 A326 L329 | W67-L291 HydrophobicContact CH2-CB 4.1Å; W67-L291 HydrophobicContact CH2-CD2 3.76Å; W67-L291 HydrophobicContact CH2-CG 4.38Å; W67-L291 HydrophobicContact CZ2-CD2 3.78Å; W67-L291 HydrophobicContact CZ3-CD2 4.18Å; I289-L291 HydrophobicContact CG2-CB 4Å; I289-L291 PolarHBondContact O-N 2.59Å; L291-H307 VanDerWaalsContact CA-O 3.27Å; L291-H307 WeakPolarHBondContact CA-O 3.48Å; L291-H307 WeakPolarHBondContact CD1-O 3.39Å; L291-N308 HydrophobicContact CD1-CB 3.82Å; L291-C322 HydrophobicContact CD2-CB 3.93Å; L291-E325 HydrophobicContact CD2-CB 3.77Å; L291-E325 HydrophobicContact CD2-CG 3.84Å; L291-E325 HydrophobicContact CG-CG 4.22Å; L291-A326 HydrophobicContact CD1-CB 4.05Å; L291-L329 HydrophobicContact CD1-CD1 4.36Å |
| 292 | E | 98.6 | Very high | 93.9 | Very high | 87 Ų | 87 | 60.1 Ų | 60.1 | 41% | 0.407 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 166.3 | -172.7 | 67.8 | -176.2 | -173.3 | 0 | 0 | 111.7 | R290 I306 H307 | R290-E292 HydrophobicContact CG-CG 4.12Å; R290-E292 IonicContact CZ-OE1 3.35Å; R290-E292 VanDerWaalsContact CZ-OE1 3.25Å; R290-E292 IonicContact NE-OE1 2.64Å; R290-E292 PolarHBondContact NE-OE1 2.81Å; R290-E292 IonicContact NH2-OE1 3.11Å; R290-E292 PolarHBondContact NH2-OE1 3Å; E292-I306 CarbonylContact O-C 3.57Å; E292-I306 WeakPolarHBondContact O-CA 3.48Å; E292-H307 HydrophobicContact CG-CB 4.45Å; E292-H307 PolarHBondContact N-O 2.98Å; E292-H307 PolarHBondContact O-N 2.84Å |
| 293 | R | 98.3 | Very high | 93.8 | Very high | 61 Ų | 61 | 60.1 Ų | 60.1 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 137.1 | 174.4 | 176 | -177 | 169.5 | -163.6 | -1.4 | 110.3 | E304 V305 I333 E336 | R293-E304 IonicContact CZ-OE1 3.77Å; R293-E304 IonicContact CZ-OE2 3.91Å; R293-E304 VanDerWaalsContact CZ-OE2 3.29Å; R293-E304 IonicContact NE-OE1 3.72Å; R293-E304 IonicContact NE-OE2 3.61Å; R293-E304 PolarHBondContact NE-OE2 3.14Å; R293-E304 IonicContact NH2-OE1 3.01Å; R293-E304 PolarHBondContact NH2-OE1 3.27Å; R293-E304 IonicContact NH2-OE2 3.11Å; R293-E304 PolarHBondContact NH2-OE2 3.27Å; R293-E304 VanDerWaalsContact NH2-OE2 3.08Å; R293-V305 CarbonylContact C-O 3.52Å; R293-V305 VanDerWaalsContact CA-O 3.31Å; R293-V305 WeakPolarHBondContact CA-O 3.2Å; R293-I333 HydrophobicContact CG-CD1 4.5Å; R293-E336 IonicContact CZ-OE1 2.73Å; R293-E336 IonicContact CZ-OE2 2.93Å; R293-E336 IonicContact NH1-OE1 2.87Å; R293-E336 PolarHBondContact NH1-OE1 2.93Å; R293-E336 IonicContact NH1-OE2 3.25Å; R293-E336 PolarHBondContact NH1-OE2 3.45Å; R293-E336 IonicContact NH2-OE2 3.61Å; R293-E336 PolarHBondContact NH2-OE2 2.99Å |
| 294 | E | 97.8 | Very high | 93.8 | Very high | 58 Ų | 58 | 58.8 Ų | 58.8 | 27% | 0.271 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 146.3 | 173 | -172.9 | 176.3 | 154.2 | 0 | 0 | 109.7 | Q190 R290 V305 H307 | Q190-E294 PolarHBondContact NE2-OE2 3.03Å; R290-E294 IonicContact NH2-OE2 3.77Å; R290-E294 PolarHBondContact NH2-OE2 2.86Å; E294-V305 HydrophobicContact CB-CB 4.42Å; E294-V305 PolarHBondContact N-O 2.99Å; E294-V305 PolarHBondContact O-N 2.78Å; E294-H307 IonicContact OE2-NE2 2.61Å; E294-H307 PolarHBondContact OE2-NE2 3.03Å |
| 295 | Q | 96 | Very high | 93.8 | Very high | 112 Ų | 112 | 58 Ų | 58 | 52% | 0.523 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 117.7 | 174.3 | -75.2 | 177.6 | -0.6 | 0 | 0 | 110 | E304 | Q295-E304 VanDerWaalsContact CG-OE2 3.3Å; Q295-E304 WeakPolarHBondContact CG-OE2 3.34Å |
| 296 | L | 92.9 | Very high | 93.8 | Very high | 39 Ų | 39 | 56.7 Ų | 56.7 | 20% | 0.204 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 122.7 | 175.7 | -172.3 | 73.6 | 0 | 0 | 0 | 110.3 | F167 V298 T303 V305 | F167-L296 HydrophobicContact CB-CD2 3.49Å; F167-L296 VanDerWaalsContact CB-CD2 3.49Å; L296-V298 HydrophobicContact CD2-CG2 3.66Å; L296-V298 HydrophobicContact CG-CG2 3.85Å; L296-T303 PolarHBondContact N-O 3.42Å; L296-T303 PolarHBondContact O-N 2.95Å; L296-V305 HydrophobicContact CB-CG2 4.14Å |
| 297 | R | 90.8 | Very high | 93.9 | Very high | 197 Ų | 197 | 54.5 Ų | 54.5 | 74% | 0.743 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 112.3 | 174.3 | -169 | 175.8 | -177.5 | 176.8 | 3.2 | 110.3 | ||
| 298 | V | 85.9 | Confident | 94 | Very high | 15 Ų | 15 | 50.5 Ų | 50.5 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 101.6 | 177.6 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | E168 A171 R172 L296 S301 | E168-V298 HydrophobicContact CB-CG2 4.46Å; E168-V298 HydrophobicContact CG-CB 4.5Å; E168-V298 HydrophobicContact CG-CG1 3.65Å; E168-V298 HydrophobicContact CG-CG2 4.05Å; A171-V298 HydrophobicContact CB-CB 4.15Å; A171-V298 HydrophobicContact CB-CG1 4.32Å; A171-V298 HydrophobicContact CB-CG2 3.74Å; R172-V298 HydrophobicContact CG-CG1 3.84Å; L296-V298 HydrophobicContact CD2-CG2 3.66Å; L296-V298 HydrophobicContact CG-CG2 3.85Å; V298-S301 PolarHBondContact N-O 2.86Å; V298-S301 PolarHBondContact O-N 3.36Å |
| 299 | G | 83.8 | Confident | 94.2 | Very high | 55 Ų | 55 | 46.9 Ų | 46.9 | 57% | 0.567 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58 | -125.3 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 300 | P | 79.6 | Confident | 94.2 | Very high | 127 Ų | 127 | 46.5 Ų | 46.5 | 83% | 0.825 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -7.5 | 179.7 | 34.4 | -34.8 | 0 | 0 | 0 | 114.2 | ||
| 301 | S | 80.8 | Confident | 94.2 | Very high | 73 Ų | 73 | 45.6 Ų | 45.6 | 51% | 0.51 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 144.6 | -173.6 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | V298 | V298-S301 PolarHBondContact N-O 2.86Å; V298-S301 PolarHBondContact O-N 3.36Å |
| 302 | N | 89.9 | Confident | 94.1 | Very high | 90 Ų | 90 | 44.8 Ų | 44.8 | 48% | 0.481 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 125.6 | 170.1 | -72.4 | -2.8 | 0 | 0 | 0 | 109.5 | ||
| 303 | T | 95.6 | Very high | 94 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.031 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 134.6 | 171.5 | -55.5 | 0 | 0 | 0 | 0 | 108.5 | A171 A175 I178 L296 | A171-T303 HydrophobicContact CB-CG2 4.05Å; A171-T303 VanDerWaalsContact CB-OG1 3.31Å; A171-T303 WeakPolarHBondContact CB-OG1 3.37Å; A175-T303 WeakPolarHBondContact O-CG2 3.5Å; I178-T303 HydrophobicContact CD1-CG2 3.91Å; I178-T303 HydrophobicContact CG1-CG2 4.01Å; L296-T303 PolarHBondContact N-O 3.42Å; L296-T303 PolarHBondContact O-N 2.95Å |
| 304 | E | 97.9 | Very high | 94 | Very high | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 139 | 176.4 | -58 | -67.9 | 170.7 | 0 | 0 | 109.6 | D176 V177 I178 R293 Q295 I333 | D176-E304 PolarHBondContact O-N 3.16Å; V177-E304 CarbonylContact C-O 3.47Å; V177-E304 WeakPolarHBondContact CA-O 3.37Å; V177-E304 HydrophobicContact CB-CB 4.5Å; V177-E304 HydrophobicContact CG1-CB 4.27Å; V177-E304 HydrophobicContact CG2-CB 4.16Å; I178-E304 PolarHBondContact N-O 2.9Å; R293-E304 IonicContact CZ-OE1 3.77Å; R293-E304 IonicContact CZ-OE2 3.91Å; R293-E304 VanDerWaalsContact CZ-OE2 3.29Å; R293-E304 IonicContact NE-OE1 3.72Å; R293-E304 IonicContact NE-OE2 3.61Å; R293-E304 PolarHBondContact NE-OE2 3.14Å; R293-E304 IonicContact NH2-OE1 3.01Å; R293-E304 PolarHBondContact NH2-OE1 3.27Å; R293-E304 IonicContact NH2-OE2 3.11Å; R293-E304 PolarHBondContact NH2-OE2 3.27Å; R293-E304 VanDerWaalsContact NH2-OE2 3.08Å; Q295-E304 VanDerWaalsContact CG-OE2 3.3Å; Q295-E304 WeakPolarHBondContact CG-OE2 3.34Å; E304-I333 HydrophobicContact CB-CD1 3.69Å; E304-I333 HydrophobicContact CB-CG1 4.4Å; E304-I333 HydrophobicContact CG-CD1 3.95Å; E304-I333 HydrophobicContact CG-CG1 4.13Å; E304-I333 HydrophobicContact CG-CG2 3.88Å |
| 305 | V | 98.7 | Very high | 94 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.4 | 172.9 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | F167 I178 N180 R293 E294 L296 | F167-V305 HydrophobicContact CE1-CG1 4.48Å; F167-V305 HydrophobicContact CZ-CG1 4.46Å; I178-V305 HydrophobicContact CB-CG2 4.37Å; I178-V305 CarbonylContact O-C 3.56Å; I178-V305 VanDerWaalsContact O-CA 3.27Å; I178-V305 WeakPolarHBondContact O-CA 3.34Å; N180-V305 HydrophobicContact CB-CG1 4.28Å; R293-V305 CarbonylContact C-O 3.52Å; R293-V305 VanDerWaalsContact CA-O 3.31Å; R293-V305 WeakPolarHBondContact CA-O 3.2Å; E294-V305 HydrophobicContact CB-CB 4.42Å; E294-V305 PolarHBondContact N-O 2.99Å; E294-V305 PolarHBondContact O-N 2.78Å; L296-V305 HydrophobicContact CB-CG2 4.14Å |
| 306 | I | 98.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 111.7 | 168.6 | -61.7 | 169.5 | 0 | 0 | 0 | 106.9 | V177 I178 V179 N180 E292 A326 L329 F330 I333 | V177-I306 HydrophobicContact CG1-CD1 4.18Å; V177-I306 HydrophobicContact CG1-CG1 4.44Å; I178-I306 PolarHBondContact O-N 2.8Å; V179-I306 CarbonylContact C-O 3.58Å; V179-I306 WeakPolarHBondContact CA-O 3.4Å; N180-I306 PolarHBondContact N-O 3.32Å; E292-I306 CarbonylContact O-C 3.57Å; E292-I306 WeakPolarHBondContact O-CA 3.48Å; I306-A326 HydrophobicContact CG2-CB 4.14Å; I306-L329 HydrophobicContact CD1-CB 4.14Å; I306-L329 HydrophobicContact CG1-CB 4.42Å; I306-L329 HydrophobicContact CG2-CD1 4.06Å; I306-F330 HydrophobicContact CD1-CB 3.94Å; I306-I333 HydrophobicContact CD1-CD1 3.96Å; I306-I333 HydrophobicContact CG1-CD1 4.18Å |
| 307 | H | 98.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 137.4 | 172.2 | -63.1 | -68.4 | 0 | 0 | 0 | 109.5 | N180 R290 L291 E292 E294 Y309 | N180-H307 PolarHBondContact ND2-ND1 3.22Å; N180-H307 VanDerWaalsContact ND2-ND1 3.12Å; R290-H307 HydrophobicContact CG-CB 4.08Å; R290-H307 CarbonylContact O-C 3.59Å; L291-H307 VanDerWaalsContact CA-O 3.27Å; L291-H307 WeakPolarHBondContact CA-O 3.48Å; L291-H307 WeakPolarHBondContact CD1-O 3.39Å; E292-H307 HydrophobicContact CG-CB 4.45Å; E292-H307 PolarHBondContact N-O 2.98Å; E292-H307 PolarHBondContact O-N 2.84Å; E294-H307 IonicContact OE2-NE2 2.61Å; E294-H307 PolarHBondContact OE2-NE2 3.03Å; H307-Y309 HydrophobicContact CB-CD1 4.16Å; H307-Y309 HydrophobicContact CB-CE1 3.93Å; H307-Y309 AromaticContact ND1-CE1 3.69Å |
| 308 | N | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 82.8 | 169.6 | -172.1 | 3.1 | 0 | 0 | 0 | 108 | I11 T15 N180 C181 R290 L291 H311 | I11-N308 HydrophobicContact CG2-CB 4.08Å; I11-N308 VanDerWaalsContact CG2-CG 3.41Å; I11-N308 WeakPolarHBondContact CG2-ND2 3.44Å; I11-N308 WeakPolarHBondContact CG2-O 3.41Å; T15-N308 PolarHBondContact OG1-ND2 2.78Å; N180-N308 CarbonylContact O-C 3.54Å; N180-N308 PolarHBondContact O-N 3.34Å; C181-N308 WeakPolarHBondContact CA-O 3.33Å; R290-N308 WeakPolarHBondContact O-CA 3.48Å; R290-N308 PolarHBondContact O-N 2.7Å; L291-N308 HydrophobicContact CD1-CB 3.82Å; N308-H311 PolarHBondContact OD1-CE1 3.02Å; N308-H311 VanDerWaalsContact OD1-CE1 3.28Å; N308-H311 PolarHBondContact OD1-NE2 3.32Å |
| 309 | Y | 98.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 172.3 | 179.8 | 68.9 | -96.4 | 0 | 0 | 0 | 111.3 | A186 D192 L195 R290 H307 H311 | A186-Y309 HydrophobicContact CB-CD1 3.81Å; A186-Y309 HydrophobicContact CB-CD2 3.67Å; A186-Y309 HydrophobicContact CB-CE1 3.77Å; A186-Y309 HydrophobicContact CB-CE2 3.67Å; A186-Y309 HydrophobicContact CB-CG 3.75Å; D192-Y309 VanDerWaalsContact OD2-CE2 3.26Å; D192-Y309 WeakPolarHBondContact OD2-CE2 3.3Å; D192-Y309 PolarHBondContact OD2-OH 3.02Å; L195-Y309 HydrophobicContact CD1-CD2 4.3Å; L195-Y309 HydrophobicContact CD2-CD2 3.99Å; L195-Y309 HydrophobicContact CD2-CE2 3.92Å; R290-Y309 HydrophobicContact CB-CD2 4.47Å; R290-Y309 HydrophobicContact CB-CE1 4.15Å; R290-Y309 HydrophobicContact CB-CE2 4.08Å; R290-Y309 WeakPolarHBondContact CD-OH 3.35Å; R290-Y309 HydrophobicContact CG-CE1 4.34Å; R290-Y309 PolarHBondContact N-O 3.33Å; R290-Y309 PolarHBondContact NH1-OH 2.65Å; R290-Y309 PolarHBondContact O-N 2.86Å; H307-Y309 HydrophobicContact CB-CD1 4.16Å; H307-Y309 HydrophobicContact CB-CE1 3.93Å; H307-Y309 AromaticContact ND1-CE1 3.69Å; Y309-H311 WeakPolarHBondContact CA-CE1 3.47Å; Y309-H311 PolarHBondContact N-CE1 3.47Å |
| 310 | G | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.4 | 22.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P284 G312 | P284-G310 CarbonylContact O-C 3.55Å; P284-G310 VanDerWaalsContact O-CA 3.22Å; P284-G310 WeakPolarHBondContact O-CA 3.26Å; G310-G312 PolarHBondContact O-N 3.2Å |
| 311 | H | 98.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 13.9 Ų | 13.9 | 2% | 0.019 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 9.6 | -173.6 | -45.8 | 79.5 | 0 | 0 | 0 | 116 | P284 I289 N308 Y309 G313 Y314 G315 I318 | P284-H311 PolarHBondContact O-N 2.9Å; I289-H311 HydrophobicContact CD1-CB 4.48Å; N308-H311 PolarHBondContact OD1-CE1 3.02Å; N308-H311 VanDerWaalsContact OD1-CE1 3.28Å; N308-H311 PolarHBondContact OD1-NE2 3.32Å; Y309-H311 WeakPolarHBondContact CA-CE1 3.47Å; Y309-H311 PolarHBondContact N-CE1 3.47Å; H311-G313 PolarHBondContact O-N 2.89Å; H311-Y314 VanDerWaalsContact O-CD1 3.25Å; H311-Y314 WeakPolarHBondContact O-CD1 3.3Å; H311-Y314 WeakPolarHBondContact O-CE1 3.3Å; H311-Y314 PolarHBondContact O-N 2.72Å; H311-Y314 VanDerWaalsContact O-N 3.11Å; H311-G315 PolarHBondContact O-N 3.13Å; H311-I318 HydrophobicContact CB-CG2 4.37Å |
| 312 | G | 97.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 10.4 Ų | 10.4 | 8% | 0.082 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | -131.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | R283 P284 G310 | R283-G312 WeakPolarHBondContact CB-O 3.4Å; P284-G312 WeakPolarHBondContact CD-O 3.31Å; P284-G312 WeakPolarHBondContact O-CA 3.46Å; P284-G312 PolarHBondContact O-N 3.3Å; G310-G312 PolarHBondContact O-N 3.2Å |
| 313 | G | 96.9 | Very high | 98.4 | Very high | 25 Ų | 25 | 6.1 Ų | 6.1 | 26% | 0.258 | 4% | 0.041 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 9.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y55 H311 | Y55-G313 WeakPolarHBondContact OH-CA 3.13Å; Y55-G313 PolarHBondContact OH-N 2.84Å; H311-G313 PolarHBondContact O-N 2.89Å |
| 314 | Y | 97.1 | Very high | 98.5 | Very high | 21 Ų | 21 | 8.9 Ų | 8.9 | 8% | 0.082 | 6% | 0.055 | C | C | . | . | trans | -127 | 22.3 | -173.7 | 56.6 | -82.4 | 0 | 0 | 0 | 112.6 | Y55 E64 I289 H311 L316 T317 I318 | Y55-Y314 AromaticContact CD1-CD1 3.8Å; Y55-Y314 HydrophobicContact CD1-CD1 3.8Å; Y55-Y314 HydrophobicContact CD1-CE1 4.47Å; Y55-Y314 HydrophobicContact CD2-CD1 4.06Å; Y55-Y314 AromaticContact CD2-CE1 3.89Å; Y55-Y314 HydrophobicContact CD2-CE1 3.89Å; Y55-Y314 AromaticContact CE1-CD1 3.44Å; Y55-Y314 HydrophobicContact CE1-CD1 3.44Å; Y55-Y314 VanDerWaalsContact CE1-CD1 3.44Å; Y55-Y314 HydrophobicContact CE1-CE1 4.14Å; Y55-Y314 HydrophobicContact CE1-CG 4.38Å; Y55-Y314 AromaticContact CE2-CD1 3.72Å; Y55-Y314 HydrophobicContact CE2-CD1 3.72Å; Y55-Y314 AromaticContact CE2-CE1 3.51Å; Y55-Y314 HydrophobicContact CE2-CE1 3.51Å; Y55-Y314 HydrophobicContact CG-CD1 4.14Å; Y55-Y314 HydrophobicContact CG-CE1 4.39Å; Y55-Y314 AromaticContact CZ-CD1 3.42Å; Y55-Y314 VanDerWaalsContact CZ-CD1 3.42Å; Y55-Y314 AromaticContact CZ-CE1 3.68Å; E64-Y314 WeakPolarHBondContact OE2-CE2 3.42Å; E64-Y314 PolarHBondContact OE2-OH 2.85Å; I289-Y314 HydrophobicContact CD1-CE2 3.89Å; H311-Y314 VanDerWaalsContact O-CD1 3.25Å; H311-Y314 WeakPolarHBondContact O-CD1 3.3Å; H311-Y314 WeakPolarHBondContact O-CE1 3.3Å; H311-Y314 PolarHBondContact O-N 2.72Å; H311-Y314 VanDerWaalsContact O-N 3.11Å; Y314-L316 PolarHBondContact O-N 3.46Å; Y314-T317 WeakPolarHBondContact O-CA 3.3Å; Y314-T317 WeakPolarHBondContact O-CB 3.2Å; Y314-T317 PolarHBondContact O-N 3.01Å; Y314-I318 HydrophobicContact CD2-CB 4.14Å; Y314-I318 HydrophobicContact CD2-CD1 4.09Å; Y314-I318 HydrophobicContact CD2-CG2 3.94Å; Y314-I318 HydrophobicContact CE2-CD1 3.86Å; Y314-I318 HydrophobicContact CE2-CG2 4.34Å; Y314-I318 WeakPolarHBondContact O-CG2 3.45Å; Y314-I318 PolarHBondContact O-N 2.83Å; Y314-I318 VanDerWaalsContact O-N 3.12Å | ||
| 315 | G | 98.6 | Very high | 98.6 | Very high | 15 Ų | 15 | 10.1 Ų | 10.1 | 16% | 0.155 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -54.7 | -43 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | H311 I318 H319 | H311-G315 PolarHBondContact O-N 3.13Å; G315-I318 PolarHBondContact O-N 2.96Å; G315-H319 VanDerWaalsContact O-CB 3.29Å; G315-H319 WeakPolarHBondContact O-CB 3.37Å; G315-H319 PolarHBondContact O-N 3.11Å |
| 316 | L | 98.8 | Very high | 98.6 | Very high | 15 Ų | 15 | 10.1 Ų | 10.1 | 8% | 0.079 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.8 | -38.7 | 174 | -72.7 | 171.5 | 0 | 0 | 0 | 112 | V10 T45 A48 L139 Y314 I318 H319 | V10-L316 HydrophobicContact CB-CD2 4.22Å; V10-L316 HydrophobicContact CG1-CD2 4.29Å; V10-L316 HydrophobicContact CG2-CD2 4.05Å; T45-L316 HydrophobicContact CG2-CD2 4.11Å; A48-L316 HydrophobicContact CB-CD1 3.6Å; A48-L316 HydrophobicContact CB-CG 4.41Å; L139-L316 HydrophobicContact CD2-CD2 4.03Å; L139-L316 HydrophobicContact CG-CD2 4.39Å; L139-L316 WeakPolarHBondContact O-CD1 3.36Å; Y314-L316 PolarHBondContact O-N 3.46Å; L316-I318 PolarHBondContact O-N 3.46Å; L316-H319 PolarHBondContact O-ND1 2.63Å |
| 317 | T | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 10.1 Ų | 10.1 | 2% | 0.018 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.5 | -30.1 | 179.9 | -49.1 | 0 | 0 | 0 | 0 | 112.9 | W52 Q53 P54 T71 Y314 | W52-T317 HydrophobicContact CD2-CG2 3.79Å; W52-T317 VanDerWaalsContact CE2-CG2 3.46Å; W52-T317 HydrophobicContact CE3-CG2 4.48Å; W52-T317 HydrophobicContact CG-CG2 4.02Å; W52-T317 HydrophobicContact CZ2-CG2 3.85Å; W52-T317 PolarHBondContact NE1-O 3.15Å; Q53-T317 VanDerWaalsContact C-CG2 3.48Å; Q53-T317 PolarHBondContact N-OG1 3.12Å; Q53-T317 PolarHBondContact O-OG1 3.11Å; Q53-T317 VanDerWaalsContact O-OG1 3.11Å; P54-T317 HydrophobicContact CB-CG2 4.48Å; P54-T317 HydrophobicContact CG-CG2 3.83Å; T71-T317 WeakPolarHBondContact CB-O 3.39Å; T71-T317 WeakPolarHBondContact CG2-O 3.4Å; Y314-T317 WeakPolarHBondContact O-CA 3.3Å; Y314-T317 WeakPolarHBondContact O-CB 3.2Å; Y314-T317 PolarHBondContact O-N 3.01Å |
| 318 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -120.7 | -7.4 | -167.5 | -156.7 | 165.4 | 0 | 0 | 0 | 114.9 | E64 W67 T71 I289 H311 Y314 G315 L316 W320 G321 C322 | E64-I318 HydrophobicContact CB-CD1 3.78Å; E64-I318 HydrophobicContact CG-CD1 4.22Å; E64-I318 WeakPolarHBondContact O-CD1 3.37Å; W67-I318 HydrophobicContact CB-CD1 3.98Å; W67-I318 HydrophobicContact CB-CG1 3.53Å; W67-I318 HydrophobicContact CE3-CD1 4.13Å; T71-I318 PolarHBondContact OG1-O 2.94Å; I289-I318 HydrophobicContact CD1-CD1 3.67Å; I289-I318 HydrophobicContact CD1-CG2 4.16Å; H311-I318 HydrophobicContact CB-CG2 4.37Å; Y314-I318 HydrophobicContact CD2-CB 4.14Å; Y314-I318 HydrophobicContact CD2-CD1 4.09Å; Y314-I318 HydrophobicContact CD2-CG2 3.94Å; Y314-I318 HydrophobicContact CE2-CD1 3.86Å; Y314-I318 HydrophobicContact CE2-CG2 4.34Å; Y314-I318 WeakPolarHBondContact O-CG2 3.45Å; Y314-I318 PolarHBondContact O-N 2.83Å; Y314-I318 VanDerWaalsContact O-N 3.12Å; G315-I318 PolarHBondContact O-N 2.96Å; L316-I318 PolarHBondContact O-N 3.46Å; I318-W320 VanDerWaalsContact C-N 3.28Å; I318-W320 PolarHBondContact O-N 3.38Å; I318-W320 VanDerWaalsContact O-N 3.11Å; I318-G321 PolarHBondContact O-N 3.42Å; I318-C322 PolarHBondContact O-N 3.33Å |
| 319 | H | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -53.4 | -40.4 | -166.6 | 71.7 | -78.3 | 0 | 0 | 0 | 114.4 | V10 I11 Y144 G315 L316 A323 | V10-H319 HydrophobicContact CG1-CB 4.25Å; V10-H319 HydrophobicContact CG2-CB 3.76Å; I11-H319 HydrophobicContact CD1-CB 3.83Å; Y144-H319 AromaticContact CE1-CD2 3.94Å; Y144-H319 AromaticContact CE1-CE1 3.76Å; Y144-H319 AromaticContact CE1-NE2 3.33Å; Y144-H319 VanDerWaalsContact CE1-NE2 3.33Å; Y144-H319 WeakPolarHBondContact CE1-NE2 3.47Å; Y144-H319 AromaticContact CZ-NE2 3.51Å; Y144-H319 PolarHBondContact OH-NE2 3.07Å; G315-H319 VanDerWaalsContact O-CB 3.29Å; G315-H319 WeakPolarHBondContact O-CB 3.37Å; G315-H319 PolarHBondContact O-N 3.11Å; L316-H319 PolarHBondContact O-ND1 2.63Å; H319-A323 VanDerWaalsContact O-CB 3.3Å; H319-A323 WeakPolarHBondContact O-CB 3.16Å; H319-A323 PolarHBondContact O-N 2.67Å |
| 320 | W | 98.9 | Very high | 98.5 | Very high | 23 Ų | 23 | 18.2 Ų | 18.2 | 9% | 0.087 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -74.7 | -43.2 | -171.1 | -166.6 | -104.9 | 0 | 0 | 0 | 111.4 | L17 C18 T71 Y74 I318 C322 A323 L324 | L17-W320 HydrophobicContact CD2-CZ3 4.48Å; C18-W320 WeakPolarHBondContact SG-CH2 3.29Å; C18-W320 VanDerWaalsContact SG-CZ2 3.59Å; T71-W320 HydrophobicContact CG2-CB 4Å; T71-W320 PolarHBondContact OG1-N 2.97Å; Y74-W320 VanDerWaalsContact CB-CD1 3.41Å; Y74-W320 HydrophobicContact CD1-CB 3.99Å; Y74-W320 AromaticContact CD1-CD1 3.96Å; Y74-W320 AromaticContact CD1-CD2 3.72Å; Y74-W320 HydrophobicContact CD1-CD2 3.72Å; Y74-W320 HydrophobicContact CD1-CE3 4.17Å; Y74-W320 AromaticContact CD1-CG 3.61Å; Y74-W320 HydrophobicContact CD1-CG 3.61Å; Y74-W320 AromaticContact CD2-CD1 3.78Å; Y74-W320 AromaticContact CD2-CD2 3.86Å; Y74-W320 HydrophobicContact CD2-CD2 3.86Å; Y74-W320 AromaticContact CD2-CE2 3.38Å; Y74-W320 HydrophobicContact CD2-CG 4.09Å; Y74-W320 AromaticContact CD2-CZ2 3.78Å; Y74-W320 HydrophobicContact CD2-CZ2 3.78Å; Y74-W320 AromaticContact CD2-NE1 3.31Å; Y74-W320 VanDerWaalsContact CD2-NE1 3.31Å; Y74-W320 AromaticContact CE1-CD2 3.75Å; Y74-W320 HydrophobicContact CE1-CD2 3.75Å; Y74-W320 AromaticContact CE1-CE3 3.75Å; Y74-W320 HydrophobicContact CE1-CE3 3.75Å; Y74-W320 HydrophobicContact CE1-CG 4.14Å; Y74-W320 HydrophobicContact CE1-CZ3 4.21Å; Y74-W320 AromaticContact CE2-CD2 3.87Å; Y74-W320 HydrophobicContact CE2-CD2 3.87Å; Y74-W320 AromaticContact CE2-CE2 3.43Å; Y74-W320 VanDerWaalsContact CE2-CE2 3.43Å; Y74-W320 HydrophobicContact CE2-CE3 4.21Å; Y74-W320 AromaticContact CE2-CH2 3.78Å; Y74-W320 HydrophobicContact CE2-CH2 3.78Å; Y74-W320 AromaticContact CE2-CZ2 3.38Å; Y74-W320 HydrophobicContact CE2-CZ2 3.38Å; Y74-W320 HydrophobicContact CE2-CZ3 4.17Å; Y74-W320 AromaticContact CE2-NE1 3.89Å; Y74-W320 HydrophobicContact CG-CB 4.31Å; Y74-W320 AromaticContact CG-CD1 3.43Å; Y74-W320 VanDerWaalsContact CG-CD1 3.43Å; Y74-W320 AromaticContact CG-CD2 3.77Å; Y74-W320 HydrophobicContact CG-CD2 3.77Å; Y74-W320 AromaticContact CG-CE2 3.75Å; Y74-W320 AromaticContact CG-CG 3.58Å; Y74-W320 HydrophobicContact CG-CG 3.58Å; Y74-W320 AromaticContact CG-NE1 3.51Å; Y74-W320 AromaticContact CZ-CD2 3.82Å; Y74-W320 AromaticContact CZ-CE2 3.86Å; Y74-W320 AromaticContact CZ-CE3 3.76Å; Y74-W320 AromaticContact CZ-CH2 3.82Å; Y74-W320 AromaticContact CZ-CZ2 3.87Å; Y74-W320 AromaticContact CZ-CZ3 3.76Å; I318-W320 VanDerWaalsContact C-N 3.28Å; I318-W320 PolarHBondContact O-N 3.38Å; I318-W320 VanDerWaalsContact O-N 3.11Å; W320-C322 VanDerWaalsContact C-N 3.33Å; W320-C322 PolarHBondContact O-N 3.26Å; W320-A323 WeakPolarHBondContact O-CB 3.43Å; W320-A323 PolarHBondContact O-N 3.15Å; W320-A323 VanDerWaalsContact O-N 3.14Å; W320-L324 WeakPolarHBondContact O-CG 3.49Å; W320-L324 PolarHBondContact O-N 3.11Å |
| 321 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.4 | -43.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T71 I318 A323 L324 E325 | T71-G321 PolarHBondContact OG1-N 2.98Å; I318-G321 PolarHBondContact O-N 3.42Å; G321-A323 PolarHBondContact O-N 2.9Å; G321-L324 PolarHBondContact O-N 2.76Å; G321-E325 PolarHBondContact O-N 3.43Å |
| 322 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -64.6 | -38.6 | 173.8 | -65.3 | 0 | 0 | 0 | 0 | 112.4 | L291 I318 W320 L324 E325 A326 | L291-C322 HydrophobicContact CD2-CB 3.93Å; I318-C322 PolarHBondContact O-N 3.33Å; W320-C322 VanDerWaalsContact C-N 3.33Å; W320-C322 PolarHBondContact O-N 3.26Å; C322-L324 VanDerWaalsContact C-N 3.35Å; C322-E325 PolarHBondContact O-N 2.84Å; C322-A326 WeakPolarHBondContact O-CB 3.32Å; C322-A326 PolarHBondContact O-N 3.16Å |
| 323 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.6 | -38 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | C18 H319 W320 G321 A327 | C18-A323 HydrophobicContact CB-CB 4.05Å; H319-A323 VanDerWaalsContact O-CB 3.3Å; H319-A323 WeakPolarHBondContact O-CB 3.16Å; H319-A323 PolarHBondContact O-N 2.67Å; W320-A323 WeakPolarHBondContact O-CB 3.43Å; W320-A323 PolarHBondContact O-N 3.15Å; W320-A323 VanDerWaalsContact O-N 3.14Å; G321-A323 PolarHBondContact O-N 2.9Å; A323-A327 WeakPolarHBondContact O-CB 3.01Å; A323-A327 PolarHBondContact O-N 3.27Å |
| 324 | L | 98.9 | Very high | 98.3 | Very high | 62 Ų | 62 | 17.6 Ų | 17.6 | 33% | 0.325 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -64.5 | -44.1 | 174.1 | -70.5 | 174 | 0 | 0 | 0 | 111.8 | W320 G321 C322 A327 K328 | W320-L324 WeakPolarHBondContact O-CG 3.49Å; W320-L324 PolarHBondContact O-N 3.11Å; G321-L324 PolarHBondContact O-N 2.76Å; C322-L324 VanDerWaalsContact C-N 3.35Å; L324-A327 PolarHBondContact O-N 3.07Å; L324-K328 PolarHBondContact O-N 2.92Å |
| 325 | E | 98.8 | Very high | 98.1 | Very high | 34 Ų | 34 | 21.3 Ų | 21.3 | 16% | 0.159 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -68 | -39.4 | 177.2 | -177.5 | 70.3 | -173.5 | 0 | 0 | 111.6 | W67 L291 G321 C322 A327 K328 L329 | W67-E325 HydrophobicContact CZ2-CB 4.32Å; W67-E325 HydrophobicContact CZ2-CG 3.98Å; L291-E325 HydrophobicContact CD2-CB 3.77Å; L291-E325 HydrophobicContact CD2-CG 3.84Å; L291-E325 HydrophobicContact CG-CG 4.22Å; G321-E325 PolarHBondContact O-N 3.43Å; C322-E325 PolarHBondContact O-N 2.84Å; E325-A327 VanDerWaalsContact C-N 3.32Å; E325-A327 PolarHBondContact O-N 2.91Å; E325-K328 WeakPolarHBondContact O-CB 3.36Å; E325-K328 PolarHBondContact O-N 3.47Å; E325-K328 VanDerWaalsContact O-N 3.12Å; E325-K328 WeakPolarHBondContact OE2-CD 3.31Å; E325-K328 IonicContact OE2-NZ 2.67Å; E325-L329 WeakPolarHBondContact O-CG 3.44Å; E325-L329 PolarHBondContact O-N 3.48Å |
| 326 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.3 | -41.2 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | T15 L291 I306 C322 K328 L329 F330 | T15-A326 HydrophobicContact CG2-CB 3.58Å; L291-A326 HydrophobicContact CD1-CB 4.05Å; I306-A326 HydrophobicContact CG2-CB 4.14Å; C322-A326 WeakPolarHBondContact O-CB 3.32Å; C322-A326 PolarHBondContact O-N 3.16Å; A326-K328 VanDerWaalsContact C-N 3.33Å; A326-K328 PolarHBondContact O-N 3.23Å; A326-L329 PolarHBondContact O-N 3.1Å; A326-F330 PolarHBondContact O-N 2.78Å |
| 327 | A | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.4 | -36.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | C18 I19 Y23 A323 L324 E325 F330 G331 | C18-A327 HydrophobicContact CB-CB 4.25Å; I19-A327 HydrophobicContact CG1-CB 4.11Å; Y23-A327 HydrophobicContact CE2-CB 4.28Å; Y23-A327 VanDerWaalsContact CE2-O 3.26Å; Y23-A327 WeakPolarHBondContact CE2-O 3.46Å; Y23-A327 PolarHBondContact OH-O 2.87Å; A323-A327 WeakPolarHBondContact O-CB 3.01Å; A323-A327 PolarHBondContact O-N 3.27Å; L324-A327 PolarHBondContact O-N 3.07Å; E325-A327 VanDerWaalsContact C-N 3.32Å; E325-A327 PolarHBondContact O-N 2.91Å; A327-F330 WeakPolarHBondContact O-CB 3.45Å; A327-F330 PolarHBondContact O-N 3.15Å; A327-G331 PolarHBondContact O-N 3.13Å |
| 328 | K | 98.5 | Very high | 96.4 | Very high | 130 Ų | 130 | 38.2 Ų | 38.2 | 57% | 0.565 | 18% | 0.181 | S | C | * | . | H | α-helix | trans | -64.2 | -43.8 | 173.8 | -177.3 | -173 | 174.8 | -170.9 | 0 | 112.1 | L324 E325 A326 F330 G331 G332 | L324-K328 PolarHBondContact O-N 2.92Å; E325-K328 WeakPolarHBondContact O-CB 3.36Å; E325-K328 PolarHBondContact O-N 3.47Å; E325-K328 VanDerWaalsContact O-N 3.12Å; E325-K328 WeakPolarHBondContact OE2-CD 3.31Å; E325-K328 IonicContact OE2-NZ 2.67Å; A326-K328 VanDerWaalsContact C-N 3.33Å; A326-K328 PolarHBondContact O-N 3.23Å; K328-F330 VanDerWaalsContact C-N 3.29Å; K328-F330 PolarHBondContact O-N 2.89Å; K328-G331 WeakPolarHBondContact O-CA 3.23Å; K328-G331 PolarHBondContact O-N 3.47Å; K328-G331 VanDerWaalsContact O-N 3.11Å; K328-G332 PolarHBondContact O-N 2.59Å |
| 329 | L | 98.7 | Very high | 94.9 | Very high | 42 Ų | 42 | 42.1 Ų | 42.1 | 22% | 0.22 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.6 | -40.9 | 173.3 | -67.5 | 176 | 0 | 0 | 0 | 111.4 | L291 I306 E325 A326 G331 G332 I333 | L291-L329 HydrophobicContact CD1-CD1 4.36Å; I306-L329 HydrophobicContact CD1-CB 4.14Å; I306-L329 HydrophobicContact CG1-CB 4.42Å; I306-L329 HydrophobicContact CG2-CD1 4.06Å; E325-L329 WeakPolarHBondContact O-CG 3.44Å; E325-L329 PolarHBondContact O-N 3.48Å; A326-L329 PolarHBondContact O-N 3.1Å; L329-G331 VanDerWaalsContact C-N 3.34Å; L329-G331 PolarHBondContact O-N 3.29Å; L329-G332 PolarHBondContact O-N 3.21Å; L329-I333 PolarHBondContact O-N 2.83Å; L329-I333 VanDerWaalsContact O-N 3.17Å |
| 330 | F | 98.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -41.8 | 172.8 | -178 | -97 | 0 | 0 | 0 | 112.3 | M1 V3 I19 Y23 L27 L30 V177 I306 A326 A327 K328 G332 I333 L334 | M1-F330 HydrophobicContact CB-CZ 4.22Å; M1-F330 HydrophobicContact CG-CZ 4.4Å; V3-F330 HydrophobicContact CG2-CE2 3.53Å; V3-F330 HydrophobicContact CG2-CZ 3.84Å; I19-F330 HydrophobicContact CG1-CB 4.47Å; I19-F330 HydrophobicContact CG2-CD1 3.95Å; I19-F330 HydrophobicContact CG2-CE1 3.93Å; I19-F330 HydrophobicContact CG2-CG 4.23Å; I19-F330 HydrophobicContact CG2-CZ 4.26Å; Y23-F330 HydrophobicContact CD1-CD1 4.48Å; Y23-F330 AromaticContact CD2-CD1 3.49Å; Y23-F330 HydrophobicContact CD2-CD1 3.49Å; Y23-F330 VanDerWaalsContact CD2-CD1 3.49Å; Y23-F330 AromaticContact CD2-CE1 3.85Å; Y23-F330 HydrophobicContact CD2-CE1 3.85Å; Y23-F330 AromaticContact CE2-CD1 3.69Å; Y23-F330 HydrophobicContact CE2-CD1 3.69Å; Y23-F330 HydrophobicContact CE2-CE1 4.46Å; Y23-F330 AromaticContact CG-CD1 3.94Å; Y23-F330 HydrophobicContact CG-CD1 3.94Å; Y23-F330 AromaticContact CG-CE1 3.89Å; Y23-F330 HydrophobicContact CG-CE1 3.89Å; L27-F330 HydrophobicContact CD2-CE1 4.37Å; L27-F330 HydrophobicContact CD2-CZ 4.24Å; L30-F330 HydrophobicContact CD1-CZ 4.17Å; V177-F330 HydrophobicContact CB-CD2 4.45Å; V177-F330 HydrophobicContact CB-CE2 4.25Å; V177-F330 HydrophobicContact CG1-CD2 4.19Å; V177-F330 HydrophobicContact CG1-CE2 4.48Å; V177-F330 HydrophobicContact CG2-CD2 4.15Å; V177-F330 HydrophobicContact CG2-CE2 3.84Å; I306-F330 HydrophobicContact CD1-CB 3.94Å; A326-F330 PolarHBondContact O-N 2.78Å; A327-F330 WeakPolarHBondContact O-CB 3.45Å; A327-F330 PolarHBondContact O-N 3.15Å; K328-F330 VanDerWaalsContact C-N 3.29Å; K328-F330 PolarHBondContact O-N 2.89Å; F330-G332 VanDerWaalsContact C-N 3.35Å; F330-G332 PolarHBondContact O-N 2.91Å; F330-I333 WeakPolarHBondContact O-CB 3.44Å; F330-I333 PolarHBondContact O-N 3.33Å; F330-L334 HydrophobicContact CD1-CD1 4.11Å; F330-L334 HydrophobicContact CD1-CG 4.29Å; F330-L334 HydrophobicContact CE1-CD1 3.7Å; F330-L334 HydrophobicContact CE1-CD2 4.14Å; F330-L334 HydrophobicContact CE1-CG 4Å; F330-L334 HydrophobicContact CZ-CD1 4.46Å; F330-L334 HydrophobicContact CZ-CD2 4.1Å; F330-L334 HydrophobicContact CZ-CG 4.42Å; F330-L334 PolarHBondContact O-N 3.08Å; F330-L334 VanDerWaalsContact O-N 3.14Å |
| 331 | G | 97.8 | Very high | 90.6 | Very high | 2 Ų | 2 | 51.5 Ų | 51.5 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55.6 | -46.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y23 A327 K328 L329 I333 L334 E335 | Y23-G331 WeakPolarHBondContact OH-CA 3.33Å; Y23-G331 PolarHBondContact OH-N 2.97Å; A327-G331 PolarHBondContact O-N 3.13Å; K328-G331 WeakPolarHBondContact O-CA 3.23Å; K328-G331 PolarHBondContact O-N 3.47Å; K328-G331 VanDerWaalsContact O-N 3.11Å; L329-G331 VanDerWaalsContact C-N 3.34Å; L329-G331 PolarHBondContact O-N 3.29Å; G331-I333 VanDerWaalsContact C-N 3.3Å; G331-I333 PolarHBondContact O-N 3.47Å; G331-L334 WeakPolarHBondContact O-CB 3.01Å; G331-L334 PolarHBondContact O-N 3Å; G331-E335 PolarHBondContact O-N 3.09Å |
| 332 | G | 97.7 | Very high | 88.4 | Confident | 22 Ų | 22 | 57.1 Ų | 57.1 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.5 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | K328 L329 F330 L334 E335 E336 | K328-G332 PolarHBondContact O-N 2.59Å; L329-G332 PolarHBondContact O-N 3.21Å; F330-G332 VanDerWaalsContact C-N 3.35Å; F330-G332 PolarHBondContact O-N 2.91Å; G332-L334 VanDerWaalsContact C-N 3.33Å; G332-L334 PolarHBondContact O-N 2.79Å; G332-E335 PolarHBondContact O-N 2.92Å; G332-E336 WeakPolarHBondContact O-CG 3.47Å; G332-E336 PolarHBondContact O-N 3.13Å |
| 333 | I | 96.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 173.2 | -67.6 | 163.3 | 0 | 0 | 0 | 111.2 | V177 R293 E304 I306 L329 F330 G331 K337 | V177-I333 HydrophobicContact CG1-CD1 4.32Å; V177-I333 HydrophobicContact CG2-CD1 4.41Å; V177-I333 HydrophobicContact CG2-CG2 4.3Å; R293-I333 HydrophobicContact CG-CD1 4.5Å; E304-I333 HydrophobicContact CB-CD1 3.69Å; E304-I333 HydrophobicContact CB-CG1 4.4Å; E304-I333 HydrophobicContact CG-CD1 3.95Å; E304-I333 HydrophobicContact CG-CG1 4.13Å; E304-I333 HydrophobicContact CG-CG2 3.88Å; I306-I333 HydrophobicContact CD1-CD1 3.96Å; I306-I333 HydrophobicContact CG1-CD1 4.18Å; L329-I333 PolarHBondContact O-N 2.83Å; L329-I333 VanDerWaalsContact O-N 3.17Å; F330-I333 WeakPolarHBondContact O-CB 3.44Å; F330-I333 PolarHBondContact O-N 3.33Å; G331-I333 VanDerWaalsContact C-N 3.3Å; G331-I333 PolarHBondContact O-N 3.47Å; I333-K337 HydrophobicContact CG2-CD 4.07Å; I333-K337 WeakPolarHBondContact O-CB 2.98Å; I333-K337 WeakPolarHBondContact O-CG 3.37Å; I333-K337 PolarHBondContact O-N 3.02Å; I333-K337 VanDerWaalsContact O-N 3.08Å |
| 334 | L | 95 | Very high | 83.2 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 179.1 | -61.6 | -178.5 | 0 | 0 | 0 | 112.2 | M1 Y23 L27 F330 G331 G332 K337 K338 L339 | M1-L334 HydrophobicContact CG-CD2 3.72Å; Y23-L334 HydrophobicContact CD1-CD1 3.57Å; Y23-L334 HydrophobicContact CE1-CD1 3.93Å; Y23-L334 HydrophobicContact CG-CD1 4.17Å; L27-L334 HydrophobicContact CD1-CD2 4.36Å; L27-L334 HydrophobicContact CD2-CD1 3.92Å; L27-L334 HydrophobicContact CD2-CD2 3.58Å; L27-L334 HydrophobicContact CD2-CG 4.42Å; F330-L334 HydrophobicContact CD1-CD1 4.11Å; F330-L334 HydrophobicContact CD1-CG 4.29Å; F330-L334 HydrophobicContact CE1-CD1 3.7Å; F330-L334 HydrophobicContact CE1-CD2 4.14Å; F330-L334 HydrophobicContact CE1-CG 4Å; F330-L334 HydrophobicContact CZ-CD1 4.46Å; F330-L334 HydrophobicContact CZ-CD2 4.1Å; F330-L334 HydrophobicContact CZ-CG 4.42Å; F330-L334 PolarHBondContact O-N 3.08Å; F330-L334 VanDerWaalsContact O-N 3.14Å; G331-L334 WeakPolarHBondContact O-CB 3.01Å; G331-L334 PolarHBondContact O-N 3Å; G332-L334 VanDerWaalsContact C-N 3.33Å; G332-L334 PolarHBondContact O-N 2.79Å; L334-K337 PolarHBondContact O-N 2.78Å; L334-K338 PolarHBondContact O-N 3.11Å; L334-K338 VanDerWaalsContact O-N 3.11Å; L334-L339 PolarHBondContact O-N 3.13Å |
| 335 | E | 93.4 | Very high | 80.7 | Confident | 98 Ų | 98 | 68.4 Ų | 68.4 | 46% | 0.458 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 177.7 | -72.6 | 170 | -154.9 | 0 | 0 | 111.4 | G331 G332 K337 K338 | G331-E335 PolarHBondContact O-N 3.09Å; G332-E335 PolarHBondContact O-N 2.92Å; E335-K337 VanDerWaalsContact C-N 3.3Å; E335-K337 PolarHBondContact O-N 2.84Å; E335-K338 WeakPolarHBondContact O-CA 3.36Å; E335-K338 PolarHBondContact O-N 3.05Å |
| 336 | E | 92.6 | Very high | 78 | Confident | 121 Ų | 121 | 74.8 Ų | 74.8 | 57% | 0.565 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -60.8 | -39.7 | 176.6 | -75.3 | 174.2 | -159.2 | 0 | 0 | 112.4 | R293 G332 K338 | R293-E336 IonicContact CZ-OE1 2.73Å; R293-E336 IonicContact CZ-OE2 2.93Å; R293-E336 IonicContact NH1-OE1 2.87Å; R293-E336 PolarHBondContact NH1-OE1 2.93Å; R293-E336 IonicContact NH1-OE2 3.25Å; R293-E336 PolarHBondContact NH1-OE2 3.45Å; R293-E336 IonicContact NH2-OE2 3.61Å; R293-E336 PolarHBondContact NH2-OE2 2.99Å; G332-E336 WeakPolarHBondContact O-CG 3.47Å; G332-E336 PolarHBondContact O-N 3.13Å; E336-K338 PolarHBondContact O-N 3.44Å |
| 337 | K | 86.7 | Confident | 75 | Confident | 74 Ų | 74 | 86.8 Ų | 86.8 | 32% | 0.322 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -1.5 | 176 | -66.5 | -176.8 | 178.7 | -175.2 | 0 | 112.9 | M1 I333 L334 E335 L339 | M1-K337 HydrophobicContact CE-CD 3.83Å; I333-K337 HydrophobicContact CG2-CD 4.07Å; I333-K337 WeakPolarHBondContact O-CB 2.98Å; I333-K337 WeakPolarHBondContact O-CG 3.37Å; I333-K337 PolarHBondContact O-N 3.02Å; I333-K337 VanDerWaalsContact O-N 3.08Å; L334-K337 PolarHBondContact O-N 2.78Å; E335-K337 VanDerWaalsContact C-N 3.3Å; E335-K337 PolarHBondContact O-N 2.84Å; K337-L339 VanDerWaalsContact C-N 3.27Å; K337-L339 HydrophobicContact CB-CD1 3.57Å; K337-L339 HydrophobicContact CB-CG 3.93Å; K337-L339 HydrophobicContact CD-CD1 4.33Å; K337-L339 WeakPolarHBondContact O-CG 3.21Å; K337-L339 PolarHBondContact O-N 2.83Å |
| 338 | K | 80 | Confident | 73.8 | Confident | 193 Ų | 193 | 91.1 Ų | 91.1 | 84% | 0.839 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 34.7 | -175.3 | -57.8 | -177.5 | -180 | 179 | 0 | 113.7 | L334 E335 E336 | L334-K338 PolarHBondContact O-N 3.11Å; L334-K338 VanDerWaalsContact O-N 3.11Å; E335-K338 WeakPolarHBondContact O-CA 3.36Å; E335-K338 PolarHBondContact O-N 3.05Å; E336-K338 PolarHBondContact O-N 3.44Å |
| 339 | L | 68.2 | Low | 72.6 | Confident | 82 Ų | 82 | 89.1 Ų | 89.1 | 43% | 0.429 | 46% | 0.462 | S | S | . | . | trans | -104.9 | -4.2 | -171.7 | -70.3 | 170.9 | 0 | 0 | 0 | 114.8 | M1 L27 L334 K337 | M1-L339 HydrophobicContact CE-CD1 3.03Å; M1-L339 HydrophobicContact CE-CG 4.5Å; L27-L339 HydrophobicContact CD1-CB 4.42Å; L334-L339 PolarHBondContact O-N 3.13Å; K337-L339 VanDerWaalsContact C-N 3.27Å; K337-L339 HydrophobicContact CB-CD1 3.57Å; K337-L339 HydrophobicContact CB-CG 3.93Å; K337-L339 HydrophobicContact CD-CD1 4.33Å; K337-L339 WeakPolarHBondContact O-CG 3.21Å; K337-L339 PolarHBondContact O-N 2.83Å | ||
| 340 | S | 53.4 | Low | 71.1 | Confident | 27 Ų | 27 | 91.7 Ų | 91.7 | 19% | 0.189 | 48% | 0.476 | C | S | . | . | trans | -120.9 | 137.6 | 173.5 | 80.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 341 | K | 54.6 | Low | 69.5 | Low | 194 Ų | 194 | 97.1 Ų | 97.1 | 84% | 0.843 | 50% | 0.504 | S | S | * | . | trans | -87.4 | 105.6 | 154.8 | -69.3 | -179.2 | -179.6 | 179.2 | 0 | 105.5 | ||||
| 342 | M | 51.4 | Low | 67.7 | Low | 118 Ų | 118 | 103 Ų | 103 | 58% | 0.581 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 136 | 178.3 | -79.6 | -176.4 | 62.7 | 0 | 0 | 111 | ||
| 343 | P | 50.5 | Low | 65.7 | Low | 82 Ų | 82 | 108.4 Ų | 108.4 | 53% | 0.532 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -69.6 | 150.7 | 159.1 | 9.4 | 1.7 | 0 | 0 | 0 | 110.3 | V26 | V26-P343 HydrophobicContact CG1-CG 4.15Š|
| 344 | P | 38.9 | Very low | 63.5 | Low | 117 Ų | 117 | 116.1 Ų | 116.1 | 76% | 0.76 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 138.4 | 178.9 | -6.4 | 15.8 | 0 | 0 | 0 | 111.6 | H346 | P344-H346 VanDerWaalsContact C-N 3.27Å; P344-H346 PolarHBondContact O-N 2.63Å |
| 345 | S | 45.6 | Very low | 61.1 | Low | 100 Ų | 100 | 125.1 Ų | 125.1 | 70% | 0.699 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -76.3 | 70.1 | 177.4 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 346 | H | 43.2 | Very low | 58.4 | Low | 167 Ų | 167 | 127.3 Ų | 127.3 | 77% | 0.773 | 66% | 0.655 | S | S | * | * | trans | -148.1 | 103.9 | 164.8 | -69.3 | -62.3 | 0 | 0 | 0 | 109.2 | P344 | P344-H346 VanDerWaalsContact C-N 3.27Å; P344-H346 PolarHBondContact O-N 2.63Å | ||
| 347 | L | 35.9 | Very low | 55.3 | Low | 253 Ų | 253 | 127.9 Ų | 127.9 | 100% | 1.325 | 66% | 0.663 | S | S | * | * | trans | -167.2 | 0 | 144 | -99.9 | 163.5 | 0 | 0 | 0 | 108.5 |
Retrieved 347 of 347 residues in 151.7 ms
(Link to these results)