| 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 | 93.3 | Very high | 98.1 | Very high | 30 Ų | 30 | 19.4 Ų | 19.4 | 15% | 0.148 | 10% | 0.099 | C | C | . | . | 0 | 119.9 | 0 | -161.6 | 62.1 | 71.2 | 0 | 0 | 107.6 | V3 L27 P29 L30 D31 D176 V177 F330 L334 K337 | M1-V3 HydrophobicContact CG-CG2 4.1Å; M1-L27 HydrophobicContact CB-CD2 3.65Å; M1-L27 HydrophobicContact CG-CD2 4.45Å; M1-P29 PolarHBondContact N-O 3.46Å; M1-L30 HydrophobicContact CB-CD1 4.42Å; M1-D31 PolarHBondContact O-N 3.04Å; M1-D176 VanDerWaalsContact CA-OD2 3.25Å; M1-D176 WeakPolarHBondContact CA-OD2 3.46Å; M1-D176 HydrophobicContact CG-CB 4.2Å; M1-D176 HydrophobicContact SD-CB 3.19Å; M1-D176 WeakPolarHBondContact SD-CB 3.41Å; M1-V177 HydrophobicContact CG-CG2 4.22Å; M1-V177 HydrophobicContact SD-CG2 4.1Å; M1-F330 HydrophobicContact CB-CZ 4.48Å; M1-F330 HydrophobicContact CG-CE2 4.04Å; M1-F330 HydrophobicContact CG-CZ 3.91Å; M1-L334 HydrophobicContact CE-CD2 3.53Å; M1-L334 HydrophobicContact CG-CD2 4.34Å; M1-K337 HydrophobicContact CE-CD 3.52Å; M1-K337 HydrophobicContact SD-CD 4.33Å | |||
| 2 | R | 96.8 | Very high | 98.2 | Very high | 117 Ų | 117 | 17.8 Ų | 17.8 | 44% | 0.442 | 9% | 0.091 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.7 | 175.1 | -68.4 | 173.7 | -70.6 | 173.3 | 6.6 | 108 | D31 G174 D176 V177 | R2-D31 CarbonylContact C-O 3.57Å; R2-D31 WeakPolarHBondContact CA-O 3.32Å; R2-D31 HydrophobicContact CG-CB 4.34Å; R2-G174 PolarHBondContact NE-O 2.88Å; R2-G174 PolarHBondContact NH1-O 3.19Å; R2-G174 PolarHBondContact NH2-O 3.42Å; R2-D176 PolarHBondContact N-OD2 3.3Å; R2-D176 IonicContact NE-OD2 3.68Å; R2-D176 IonicContact NH2-OD1 3.2Å; R2-D176 PolarHBondContact O-N 3.02Å; R2-V177 PolarHBondContact O-N 3.1Å |
| 3 | V | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 125.3 | -177.2 | -172.5 | 0 | 0 | 0 | 0 | 108.6 | M1 V5 L30 D31 I32 K33 V177 V179 F330 | M1-V3 HydrophobicContact CG-CG2 4.1Å; V3-V5 HydrophobicContact CG1-CG2 4.37Å; V3-L30 HydrophobicContact CG2-CD1 3.93Å; V3-D31 PolarHBondContact N-O 3.08Å; V3-I32 HydrophobicContact CB-CG1 4.21Å; V3-I32 WeakPolarHBondContact O-CA 3.35Å; V3-K33 PolarHBondContact O-N 2.89Å; V3-V177 WeakPolarHBondContact CA-O 3.46Å; V3-V177 HydrophobicContact CG1-CB 4.47Å; V3-V177 HydrophobicContact CG2-CB 4.45Å; V3-V179 HydrophobicContact CG1-CG2 3.91Å; V3-F330 HydrophobicContact CG2-CE2 3.5Å; V3-F330 HydrophobicContact CG2-CZ 3.78Å |
| 4 | V | 98.7 | Very high | 98.3 | Very high | 9 Ų | 9 | 15.2 Ų | 15.2 | 6% | 0.055 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 114.9 | 172.5 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | I6 K33 Y35 V170 A175 V177 I178 V179 | V4-I6 HydrophobicContact CG1-CG1 4.2Å; V4-K33 WeakPolarHBondContact CA-O 3.42Å; V4-Y35 HydrophobicContact CG1-CD1 4.3Å; V4-Y35 HydrophobicContact CG1-CD2 3.47Å; V4-Y35 VanDerWaalsContact CG1-CD2 3.47Å; V4-Y35 HydrophobicContact CG1-CE2 3.8Å; V4-Y35 HydrophobicContact CG1-CG 3.76Å; V4-Y35 HydrophobicContact CG2-CE2 4.45Å; V4-V170 HydrophobicContact CB-CG1 3.7Å; V4-V170 HydrophobicContact CG1-CG1 3.7Å; V4-V170 HydrophobicContact CG2-CG1 3.85Å; V4-A175 HydrophobicContact CB-CB 4.31Å; V4-A175 HydrophobicContact CG2-CB 3.81Å; V4-V177 PolarHBondContact N-O 2.83Å; V4-I178 CarbonylContact O-C 3.59Å; V4-I178 WeakPolarHBondContact O-CA 3.43Å; V4-V179 PolarHBondContact O-N 3.1Å |
| 5 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.1 | 172 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | V3 A16 I32 K33 V34 Y35 V179 | V3-V5 HydrophobicContact CG1-CG2 4.37Å; V5-A16 HydrophobicContact CB-CB 4.5Å; V5-A16 HydrophobicContact CG2-CB 3.94Å; V5-I32 HydrophobicContact CG2-CG2 4.23Å; V5-K33 PolarHBondContact N-O 3.11Å; V5-V34 HydrophobicContact CB-CG2 4.38Å; V5-V34 CarbonylContact O-C 3.56Å; V5-V34 WeakPolarHBondContact O-CA 3.29Å; V5-Y35 PolarHBondContact O-N 3.46Å; V5-V179 WeakPolarHBondContact CA-O 3.13Å; V5-V179 HydrophobicContact CB-CB 4.38Å; V5-V179 HydrophobicContact CG1-CB 4.27Å; V5-V179 HydrophobicContact CG2-CB 4.04Å; V5-V179 HydrophobicContact CG2-CG2 4.15Å |
| 6 | I | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 13.3 Ų | 13.3 | 4% | 0.036 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 112.6 | 180 | -49 | 174.3 | 0 | 0 | 0 | 108.6 | V4 Y35 V164 F167 V170 I178 V179 C181 T182 L189 | V4-I6 HydrophobicContact CG1-CG1 4.2Å; I6-Y35 CarbonylContact C-O 3.59Å; I6-Y35 VanDerWaalsContact CA-O 3.32Å; I6-Y35 WeakPolarHBondContact CA-O 3.45Å; I6-V164 HydrophobicContact CD1-CG1 4.12Å; I6-V164 HydrophobicContact CD1-CG2 4.32Å; I6-V164 HydrophobicContact CG1-CG2 4.46Å; I6-V164 HydrophobicContact CG2-CB 4.35Å; I6-V164 HydrophobicContact CG2-CG2 4.01Å; I6-F167 HydrophobicContact CD1-CD1 4.17Å; I6-F167 HydrophobicContact CD1-CE1 4.15Å; I6-V170 HydrophobicContact CD1-CG2 4.31Å; I6-I178 HydrophobicContact CD1-CG2 3.51Å; I6-I178 HydrophobicContact CG1-CG2 4.01Å; I6-V179 PolarHBondContact N-O 3.15Å; I6-C181 CarbonylContact O-C 3.52Å; I6-C181 VanDerWaalsContact O-CA 3.23Å; I6-C181 WeakPolarHBondContact O-CA 3.37Å; I6-C181 WeakPolarHBondContact O-CB 3.29Å; I6-C181 PolarHBondContact O-N 3.49Å; I6-T182 HydrophobicContact CB-CG2 4.07Å; I6-T182 HydrophobicContact CG2-CG2 3.48Å; I6-T182 VanDerWaalsContact CG2-CG2 3.48Å; I6-T182 PolarHBondContact O-N 3.48Å; I6-L189 HydrophobicContact CD1-CD1 4.1Å; I6-L189 HydrophobicContact CG2-CD1 4.44Å |
| 7 | G | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 12.5 Ų | 12.5 | 11% | 0.113 | 6% | 0.064 | C | C | . | . | trans | 116.8 | 133 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | G12 Y35 | G7-G12 WeakPolarHBondContact O-CA 3.43Å; G7-Y35 PolarHBondContact N-O 2.96Å | ||
| 8 | A | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 12.2 Ų | 12.2 | 2% | 0.017 | 6% | 0.063 | C | C | . | . | trans | -116.6 | 21.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L13 V34 A36 F39 | A8-L13 HydrophobicContact CB-CD2 4.06Å; A8-V34 HydrophobicContact CB-CG1 4.18Å; A8-A36 HydrophobicContact CB-CB 3.6Å; A8-F39 HydrophobicContact CB-CD1 3.32Å; A8-F39 HydrophobicContact CB-CE1 3.34Å; A8-F39 HydrophobicContact CB-CG 4.2Å; A8-F39 HydrophobicContact CB-CZ 4.25Å | ||
| 9 | G | 98.8 | Very high | 98.4 | Very high | 16 Ų | 16 | 11.5 Ų | 11.5 | 17% | 0.165 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -78.4 | -175.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I11 G12 L13 L145 | G9-I11 PolarHBondContact O-N 3.4Å; G9-I11 VanDerWaalsContact O-N 3.13Å; G9-G12 PolarHBondContact O-N 2.95Å; G9-G12 VanDerWaalsContact O-N 3.12Å; G9-L13 PolarHBondContact O-N 3.37Å; G9-L13 VanDerWaalsContact O-N 3.09Å; G9-L145 VanDerWaalsContact C-CD2 3.48Å |
| 10 | V | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 11.7 Ų | 11.7 | 2% | 0.024 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57.2 | -39.5 | -171.3 | 63.3 | 0 | 0 | 0 | 0 | 112.1 | S14 T45 Y144 L145 L316 H319 | V10-S14 WeakPolarHBondContact O-CB 3.4Å; V10-S14 PolarHBondContact O-N 3.23Å; V10-S14 PolarHBondContact O-OG 3.17Å; V10-T45 HydrophobicContact CB-CG2 3.77Å; V10-T45 HydrophobicContact CG1-CG2 4.2Å; V10-T45 PolarHBondContact N-OG1 3.16Å; V10-T45 VanDerWaalsContact N-OG1 3.09Å; V10-Y144 HydrophobicContact CG2-CD1 3.86Å; V10-Y144 HydrophobicContact CG2-CE1 3.72Å; V10-L145 HydrophobicContact CB-CD2 4.32Å; V10-L316 HydrophobicContact CB-CD2 4.19Å; V10-L316 HydrophobicContact CG1-CD2 4.25Å; V10-L316 HydrophobicContact CG2-CD2 4.04Å; V10-H319 HydrophobicContact CG1-CB 4.32Å; V10-H319 HydrophobicContact CG2-CB 3.73Å |
| 11 | I | 98.9 | Very high | 98.3 | Very high | 16 Ų | 16 | 15.4 Ų | 15.4 | 8% | 0.082 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.2 | -45.4 | -178 | -54.7 | -59.1 | 0 | 0 | 0 | 111.5 | G9 S14 T15 C181 N308 H319 | G9-I11 PolarHBondContact O-N 3.4Å; G9-I11 VanDerWaalsContact O-N 3.13Å; I11-S14 PolarHBondContact O-OG 3.47Å; I11-T15 WeakPolarHBondContact O-CB 3.37Å; I11-T15 PolarHBondContact O-N 2.96Å; I11-T15 PolarHBondContact O-OG1 3.46Å; I11-C181 HydrophobicContact CB-CB 4.47Å; I11-C181 HydrophobicContact CG2-CB 4.15Å; I11-N308 HydrophobicContact CG2-CB 4.06Å; I11-N308 WeakPolarHBondContact CG2-ND2 3.08Å; I11-N308 VanDerWaalsContact CG2-O 3.31Å; I11-N308 WeakPolarHBondContact CG2-O 3.41Å; I11-H319 HydrophobicContact CD1-CB 3.84Å |
| 12 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.5 | -51 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G7 G9 T15 A16 C181 | G7-G12 WeakPolarHBondContact O-CA 3.43Å; G9-G12 PolarHBondContact O-N 2.95Å; G9-G12 VanDerWaalsContact O-N 3.12Å; G12-T15 PolarHBondContact O-N 3Å; G12-A16 WeakPolarHBondContact O-CB 3.5Å; G12-A16 PolarHBondContact O-N 3.46Å; G12-C181 VanDerWaalsContact CA-CB 3.48Å |
| 13 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -68.1 | -43.1 | -176.6 | -59.8 | -168 | 0 | 0 | 0 | 112.7 | A8 G9 A16 L17 V34 L145 L148 T149 L152 F159 | A8-L13 HydrophobicContact CB-CD2 4.06Å; G9-L13 PolarHBondContact O-N 3.37Å; G9-L13 VanDerWaalsContact O-N 3.09Å; L13-A16 PolarHBondContact O-N 3Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 3.28Å; L13-V34 HydrophobicContact CD2-CG1 4.19Å; L13-L145 HydrophobicContact CD1-CB 4.27Å; L13-L145 HydrophobicContact CD1-CD2 3.68Å; L13-L145 HydrophobicContact CG-CD2 4.27Å; L13-L148 HydrophobicContact CB-CB 3.87Å; L13-L148 HydrophobicContact CB-CD1 3.79Å; L13-L148 HydrophobicContact CB-CG 4.42Å; L13-L148 HydrophobicContact CD1-CB 4.05Å; L13-T149 WeakPolarHBondContact CD1-OG1 3.38Å; L13-L152 HydrophobicContact CB-CD1 4.16Å; L13-L152 HydrophobicContact CD2-CD1 4.05Å; L13-F159 HydrophobicContact CD2-CE1 3.73Å; L13-F159 HydrophobicContact CD2-CZ 4.45Å |
| 14 | S | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.7 | -39.2 | 176.7 | 59.1 | 0 | 0 | 0 | 0 | 112.4 | V10 I11 L17 C18 | V10-S14 WeakPolarHBondContact O-CB 3.4Å; V10-S14 PolarHBondContact O-N 3.23Å; V10-S14 PolarHBondContact O-OG 3.17Å; I11-S14 PolarHBondContact O-OG 3.47Å; S14-L17 PolarHBondContact O-N 3.15Å; S14-C18 VanDerWaalsContact O-CB 3.31Å; S14-C18 WeakPolarHBondContact O-CB 3.46Å; S14-C18 PolarHBondContact O-N 3Å |
| 15 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.7 | -43.3 | 175.4 | -57.1 | 0 | 0 | 0 | 0 | 111.4 | I11 G12 L17 C18 I19 V179 N308 A326 | I11-T15 WeakPolarHBondContact O-CB 3.37Å; I11-T15 PolarHBondContact O-N 2.96Å; I11-T15 PolarHBondContact O-OG1 3.46Å; G12-T15 PolarHBondContact O-N 3Å; T15-L17 VanDerWaalsContact C-N 3.33Å; T15-L17 PolarHBondContact O-N 3.14Å; T15-C18 PolarHBondContact O-N 3.07Å; T15-I19 HydrophobicContact CG2-CD1 3.86Å; T15-I19 HydrophobicContact CG2-CG1 4.42Å; T15-I19 WeakPolarHBondContact O-CG1 3.39Å; T15-I19 PolarHBondContact O-N 3.42Å; T15-V179 HydrophobicContact CG2-CG1 3.76Å; T15-N308 PolarHBondContact OG1-ND2 3.31Å; T15-A326 HydrophobicContact CG2-CB 3.6Å |
| 16 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -58.7 | -45.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V5 G12 L13 H20 V34 L152 | V5-A16 HydrophobicContact CB-CB 4.5Å; V5-A16 HydrophobicContact CG2-CB 3.94Å; G12-A16 WeakPolarHBondContact O-CB 3.5Å; G12-A16 PolarHBondContact O-N 3.46Å; L13-A16 PolarHBondContact O-N 3Å; A16-H20 WeakPolarHBondContact O-CB 3.33Å; A16-H20 PolarHBondContact O-N 3.43Å; A16-V34 HydrophobicContact CB-CG2 4.29Å; A16-L152 HydrophobicContact CB-CD1 4.14Å; A16-L152 HydrophobicContact CB-CD2 3.91Å |
| 17 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.2 | -47.7 | -179.9 | -179 | 62 | 0 | 0 | 0 | 110.7 | L13 S14 T15 I19 H20 E21 W147 L148 R151 L152 | L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 PolarHBondContact O-N 3.28Å; S14-L17 PolarHBondContact O-N 3.15Å; T15-L17 VanDerWaalsContact C-N 3.33Å; T15-L17 PolarHBondContact O-N 3.14Å; L17-I19 PolarHBondContact O-N 2.95Å; L17-H20 PolarHBondContact O-N 3Å; L17-H20 VanDerWaalsContact O-N 3.16Å; L17-E21 HydrophobicContact CD1-CG 3.99Å; L17-E21 HydrophobicContact CG-CG 4.34Å; L17-E21 WeakPolarHBondContact O-CG 3.14Å; L17-E21 PolarHBondContact O-N 2.94Å; L17-W147 HydrophobicContact CD2-CZ3 4.16Å; L17-L148 HydrophobicContact CD2-CD2 3.56Å; L17-R151 HydrophobicContact CD1-CB 4.39Å; L17-L152 HydrophobicContact CB-CD2 4.05Å; L17-L152 HydrophobicContact CB-CG 4.34Å; L17-L152 HydrophobicContact CD1-CD2 4.34Å |
| 18 | C | 98.7 | Very high | 97.1 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.5 | -41.5 | -179.9 | -173.3 | 0 | 0 | 0 | 0 | 112.3 | S14 T15 R22 W320 A323 | S14-C18 VanDerWaalsContact O-CB 3.31Å; S14-C18 WeakPolarHBondContact O-CB 3.46Å; S14-C18 PolarHBondContact O-N 3Å; T15-C18 PolarHBondContact O-N 3.07Å; C18-R22 VanDerWaalsContact O-CB 3.32Å; C18-R22 WeakPolarHBondContact O-CB 3.46Å; C18-R22 PolarHBondContact O-N 3.09Å; C18-W320 HydrophobicContact CB-CH2 4.23Å; C18-W320 HydrophobicContact CB-CZ3 4.36Å; C18-A323 HydrophobicContact CB-CB 3.88Å |
| 19 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.6 | -46.2 | 174.5 | -70.2 | 170.3 | 0 | 0 | 0 | 110.2 | T15 L17 R22 Y23 I32 V179 A327 F330 | T15-I19 HydrophobicContact CG2-CD1 3.86Å; T15-I19 HydrophobicContact CG2-CG1 4.42Å; T15-I19 WeakPolarHBondContact O-CG1 3.39Å; T15-I19 PolarHBondContact O-N 3.42Å; L17-I19 PolarHBondContact O-N 2.95Å; I19-R22 PolarHBondContact O-N 3.41Å; I19-Y23 HydrophobicContact CG2-CD2 4.28Å; I19-Y23 WeakPolarHBondContact O-CD2 3.35Å; I19-Y23 PolarHBondContact O-N 2.79Å; I19-Y23 VanDerWaalsContact O-N 3.09Å; I19-I32 HydrophobicContact CG2-CD1 3.98Å; I19-V179 HydrophobicContact CD1-CG2 3.98Å; I19-A327 HydrophobicContact CG1-CB 4.11Å; I19-F330 HydrophobicContact CG2-CD1 3.99Å; I19-F330 HydrophobicContact CG2-CE1 3.92Å; I19-F330 HydrophobicContact CG2-CE2 4.49Å; I19-F330 HydrophobicContact CG2-CG 4.25Å; I19-F330 HydrophobicContact CG2-CZ 4.2Å |
| 20 | H | 98.4 | Very high | 96.6 | Very high | 14 Ų | 14 | 40.6 Ų | 40.6 | 7% | 0.065 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -52.7 | 179.9 | -170.7 | -76.6 | 0 | 0 | 0 | 111.6 | A16 L17 R22 Y23 H24 I32 R155 | A16-H20 WeakPolarHBondContact O-CB 3.33Å; A16-H20 PolarHBondContact O-N 3.43Å; L17-H20 PolarHBondContact O-N 3Å; L17-H20 VanDerWaalsContact O-N 3.16Å; H20-R22 VanDerWaalsContact C-N 3.28Å; H20-R22 PolarHBondContact O-N 2.69Å; H20-Y23 PolarHBondContact O-N 3.1Å; H20-H24 AromaticContact CE1-CG 3.42Å; H20-H24 VanDerWaalsContact CE1-CG 3.42Å; H20-H24 AromaticContact CE1-ND1 3.3Å; H20-H24 PolarHBondContact CE1-ND1 2.81Å; H20-H24 VanDerWaalsContact CE1-ND1 3.3Å; H20-H24 AromaticContact NE2-CE1 3.88Å; H20-H24 AromaticContact NE2-CG 3.68Å; H20-H24 AromaticContact NE2-ND1 3.1Å; H20-H24 PolarHBondContact NE2-ND1 3.39Å; H20-H24 WeakPolarHBondContact O-CB 3.17Å; H20-H24 PolarHBondContact O-N 3.3Å; H20-I32 HydrophobicContact CB-CD1 3.82Å; H20-R155 PolarHBondContact NE2-O 3.26Å |
| 21 | E | 97.1 | Very high | 96.6 | Very high | 90 Ų | 90 | 42.9 Ų | 42.9 | 42% | 0.421 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.5 | -37.5 | -177.2 | -71.5 | -173.6 | 153.4 | 0 | 0 | 112.6 | L17 R155 | L17-E21 HydrophobicContact CD1-CG 3.99Å; L17-E21 HydrophobicContact CG-CG 4.34Å; L17-E21 WeakPolarHBondContact O-CG 3.14Å; L17-E21 PolarHBondContact O-N 2.94Å; E21-R155 IonicContact OE1-CZ 2.62Å; E21-R155 IonicContact OE1-NE 3.59Å; E21-R155 IonicContact OE1-NH2 3.96Å; E21-R155 PolarHBondContact OE1-NH2 3.39Å |
| 22 | R | 97.5 | Very high | 96.6 | Very high | 150 Ų | 150 | 42.4 Ų | 42.4 | 57% | 0.566 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -78.5 | -32.7 | -177.8 | -168.7 | 171.5 | -176.9 | 89.9 | 2.2 | 113.8 | C18 I19 H20 | C18-R22 VanDerWaalsContact O-CB 3.32Å; C18-R22 WeakPolarHBondContact O-CB 3.46Å; C18-R22 PolarHBondContact O-N 3.09Å; I19-R22 PolarHBondContact O-N 3.41Å; H20-R22 VanDerWaalsContact C-N 3.28Å; H20-R22 PolarHBondContact O-N 2.69Å |
| 23 | Y | 97.9 | Very high | 96.5 | Very high | 25 Ų | 25 | 45.1 Ų | 45.1 | 10% | 0.098 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -118.1 | -13.8 | -167.7 | -61.9 | -71.1 | 0 | 0 | 0 | 115.7 | I19 H20 S25 V26 L27 A327 F330 G331 L334 | I19-Y23 HydrophobicContact CG2-CD2 4.28Å; I19-Y23 WeakPolarHBondContact O-CD2 3.35Å; I19-Y23 PolarHBondContact O-N 2.79Å; I19-Y23 VanDerWaalsContact O-N 3.09Å; H20-Y23 PolarHBondContact O-N 3.1Å; Y23-S25 VanDerWaalsContact C-N 3.27Å; Y23-S25 PolarHBondContact O-N 3.25Å; Y23-V26 HydrophobicContact CD1-CG2 4.11Å; Y23-V26 PolarHBondContact O-N 2.71Å; Y23-L27 WeakPolarHBondContact O-CB 3.19Å; Y23-L27 PolarHBondContact O-N 2.75Å; Y23-A327 HydrophobicContact CE2-CB 4.22Å; Y23-A327 WeakPolarHBondContact CE2-O 3.33Å; Y23-A327 VanDerWaalsContact CZ-O 3.29Å; Y23-A327 PolarHBondContact OH-O 3.02Å; Y23-F330 AromaticContact CD2-CD1 3.42Å; Y23-F330 HydrophobicContact CD2-CD1 3.42Å; Y23-F330 VanDerWaalsContact CD2-CD1 3.42Å; Y23-F330 AromaticContact CD2-CE1 3.76Å; Y23-F330 HydrophobicContact CD2-CE1 3.76Å; Y23-F330 HydrophobicContact CE2-CB 4.44Å; Y23-F330 AromaticContact CE2-CD1 3.57Å; Y23-F330 HydrophobicContact CE2-CD1 3.57Å; Y23-F330 HydrophobicContact CE2-CE1 4.35Å; Y23-F330 HydrophobicContact CE2-CG 4.46Å; Y23-F330 AromaticContact CG-CD1 3.94Å; Y23-F330 HydrophobicContact CG-CD1 3.94Å; Y23-F330 AromaticContact CG-CE1 3.91Å; Y23-F330 HydrophobicContact CG-CE1 3.91Å; Y23-G331 WeakPolarHBondContact OH-CA 3.43Å; Y23-G331 PolarHBondContact OH-N 3.3Å; Y23-L334 HydrophobicContact CD1-CD1 3.63Å; Y23-L334 HydrophobicContact CE1-CD1 4.03Å; Y23-L334 HydrophobicContact CG-CD1 4.11Å |
| 24 | H | 95.7 | Very high | 96.5 | Very high | 81 Ų | 81 | 45.1 Ų | 45.1 | 38% | 0.375 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -38.7 | -179.5 | 179.4 | 92.3 | 0 | 0 | 0 | 112.9 | H20 V26 Q28 L30 | H20-H24 AromaticContact CE1-CG 3.42Å; H20-H24 VanDerWaalsContact CE1-CG 3.42Å; H20-H24 AromaticContact CE1-ND1 3.3Å; H20-H24 PolarHBondContact CE1-ND1 2.81Å; H20-H24 VanDerWaalsContact CE1-ND1 3.3Å; H20-H24 AromaticContact NE2-CE1 3.88Å; H20-H24 AromaticContact NE2-CG 3.68Å; H20-H24 AromaticContact NE2-ND1 3.1Å; H20-H24 PolarHBondContact NE2-ND1 3.39Å; H20-H24 WeakPolarHBondContact O-CB 3.17Å; H20-H24 PolarHBondContact O-N 3.3Å; H24-V26 PolarHBondContact O-N 2.76Å; H24-Q28 PolarHBondContact O-NE2 3.29Å; H24-L30 HydrophobicContact CB-CD2 4.31Å |
| 25 | S | 94.6 | Very high | 96.5 | Very high | 98 Ų | 98 | 45.9 Ų | 45.9 | 69% | 0.685 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -22.8 | -179 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | Y23 | Y23-S25 VanDerWaalsContact C-N 3.27Å; Y23-S25 PolarHBondContact O-N 3.25Å |
| 26 | V | 94.2 | Very high | 96.5 | Very high | 98 Ų | 98 | 46.1 Ų | 46.1 | 59% | 0.594 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | -7.4 | -172.9 | -63.1 | 0 | 0 | 0 | 0 | 113.9 | Y23 H24 | Y23-V26 HydrophobicContact CD1-CG2 4.11Å; Y23-V26 PolarHBondContact O-N 2.71Å; H24-V26 PolarHBondContact O-N 2.76Å |
| 27 | L | 89.4 | Confident | 96.5 | Very high | 28 Ų | 28 | 49 Ų | 49 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -134.1 | 107.6 | -178.4 | -175.2 | 69.9 | 0 | 0 | 0 | 110.5 | M1 Y23 L30 F330 L334 | M1-L27 HydrophobicContact CB-CD2 3.65Å; M1-L27 HydrophobicContact CG-CD2 4.45Å; Y23-L27 WeakPolarHBondContact O-CB 3.19Å; Y23-L27 PolarHBondContact O-N 2.75Å; L27-L30 HydrophobicContact CD2-CB 4.49Å; L27-L30 HydrophobicContact CD2-CD1 4.18Å; L27-L30 WeakPolarHBondContact O-CB 3.25Å; L27-L30 PolarHBondContact O-N 2.99Å; L27-F330 HydrophobicContact CD2-CE1 4.31Å; L27-F330 HydrophobicContact CD2-CZ 4.27Å; L27-L334 HydrophobicContact CD1-CD2 4.27Å; L27-L334 HydrophobicContact CD2-CD1 3.82Å; L27-L334 HydrophobicContact CD2-CD2 3.5Å; L27-L334 HydrophobicContact CD2-CG 4.32Å |
| 28 | Q | 87.8 | Confident | 96.5 | Very high | 126 Ų | 126 | 54.9 Ų | 54.9 | 59% | 0.589 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -126 | 128.7 | 176.4 | -70.5 | -66.1 | -25.4 | 0 | 0 | 110.2 | H24 | H24-Q28 PolarHBondContact O-NE2 3.29Š|
| 29 | P | 91.9 | Very high | 96.5 | Very high | 98 Ų | 98 | 56.6 Ų | 56.6 | 64% | 0.636 | 28% | 0.281 | S | S | * | . | S | Bend | cis | -78.3 | 139.4 | -4.5 | 31.9 | -33.6 | 0 | 0 | 0 | 112.4 | M1 | M1-P29 PolarHBondContact N-O 3.46Š|
| 30 | L | 96.9 | Very high | 96.5 | Very high | 19 Ų | 19 | 58.2 Ų | 58.2 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | trans | -110.4 | 106.8 | 163.8 | 173.9 | 60.7 | 0 | 0 | 0 | 108.2 | M1 V3 H24 L27 I32 F330 | M1-L30 HydrophobicContact CB-CD1 4.42Å; V3-L30 HydrophobicContact CG2-CD1 3.93Å; H24-L30 HydrophobicContact CB-CD2 4.31Å; L27-L30 HydrophobicContact CD2-CB 4.49Å; L27-L30 HydrophobicContact CD2-CD1 4.18Å; L27-L30 WeakPolarHBondContact O-CB 3.25Å; L27-L30 PolarHBondContact O-N 2.99Å; L30-I32 HydrophobicContact CD1-CD1 4.2Å; L30-I32 HydrophobicContact CD1-CG1 3.9Å; L30-I32 HydrophobicContact CD2-CD1 4.14Å; L30-I32 HydrophobicContact CG-CD1 4.13Å; L30-I32 HydrophobicContact CG-CG1 3.96Å; L30-F330 HydrophobicContact CD1-CZ 4.1Å | ||
| 31 | D | 97.5 | Very high | 96.4 | Very high | 52 Ų | 52 | 61.3 Ų | 61.3 | 28% | 0.278 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 112.4 | 178.5 | 178.1 | 23.9 | 0 | 0 | 0 | 108.4 | M1 R2 V3 K33 | M1-D31 PolarHBondContact O-N 3.04Å; R2-D31 CarbonylContact C-O 3.57Å; R2-D31 WeakPolarHBondContact CA-O 3.32Å; R2-D31 HydrophobicContact CG-CB 4.34Å; V3-D31 PolarHBondContact N-O 3.08Å; D31-K33 VanDerWaalsContact OD2-CE 3.32Å; D31-K33 WeakPolarHBondContact OD2-CE 3.08Å; D31-K33 IonicContact OD2-NZ 3.35Å |
| 32 | I | 98.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.9 | 178.8 | -52.4 | -177.2 | 0 | 0 | 0 | 109 | V3 V5 I19 H20 L30 V157 K158 | V3-I32 HydrophobicContact CB-CG1 4.21Å; V3-I32 WeakPolarHBondContact O-CA 3.35Å; V5-I32 HydrophobicContact CG2-CG2 4.23Å; I19-I32 HydrophobicContact CG2-CD1 3.98Å; H20-I32 HydrophobicContact CB-CD1 3.82Å; L30-I32 HydrophobicContact CD1-CD1 4.2Å; L30-I32 HydrophobicContact CD1-CG1 3.9Å; L30-I32 HydrophobicContact CD2-CD1 4.14Å; L30-I32 HydrophobicContact CG-CD1 4.13Å; L30-I32 HydrophobicContact CG-CG1 3.96Å; I32-V157 HydrophobicContact CB-CG1 4.26Å; I32-V157 HydrophobicContact CB-CG2 4.12Å; I32-V157 HydrophobicContact CG2-CG1 4.02Å; I32-V157 HydrophobicContact CG2-CG2 4.46Å; I32-V157 WeakPolarHBondContact O-CG1 3.38Å; I32-K158 PolarHBondContact O-N 3.15Å |
| 33 | K | 98.7 | Very high | 96.5 | Very high | 57 Ų | 57 | 56.3 Ų | 56.3 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 143.9 | 174 | -60 | 178.3 | -174.7 | 167.6 | 0 | 110 | V3 V4 V5 D31 Y35 K158 F160 | V3-K33 PolarHBondContact O-N 2.89Å; V4-K33 WeakPolarHBondContact CA-O 3.42Å; V5-K33 PolarHBondContact N-O 3.11Å; D31-K33 VanDerWaalsContact OD2-CE 3.32Å; D31-K33 WeakPolarHBondContact OD2-CE 3.08Å; D31-K33 IonicContact OD2-NZ 3.35Å; K33-Y35 HydrophobicContact CB-CD1 4.46Å; K33-Y35 HydrophobicContact CB-CE1 4.03Å; K33-Y35 HydrophobicContact CD-CE1 4.37Å; K33-K158 CarbonylContact C-O 3.56Å; K33-K158 VanDerWaalsContact CA-O 3.32Å; K33-K158 WeakPolarHBondContact CA-O 3.43Å; K33-F160 HydrophobicContact CB-CD2 4.25Å; K33-F160 HydrophobicContact CB-CE2 3.93Å; K33-F160 HydrophobicContact CD-CE2 3.75Å; K33-F160 HydrophobicContact CD-CZ 4.18Å; K33-F160 HydrophobicContact CG-CE2 3.82Å |
| 34 | V | 98.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 118.9 | 173.6 | 180 | 0 | 0 | 0 | 0 | 109 | V5 A8 L13 A16 F39 V157 K158 F159 F160 | V5-V34 HydrophobicContact CB-CG2 4.38Å; V5-V34 CarbonylContact O-C 3.56Å; V5-V34 WeakPolarHBondContact O-CA 3.29Å; A8-V34 HydrophobicContact CB-CG1 4.18Å; L13-V34 HydrophobicContact CD2-CG1 4.19Å; A16-V34 HydrophobicContact CB-CG2 4.29Å; V34-F39 HydrophobicContact CG1-CE1 4.48Å; V34-V157 HydrophobicContact CG2-CG1 3.99Å; V34-K158 PolarHBondContact N-O 3.04Å; V34-F159 HydrophobicContact CB-CD1 3.6Å; V34-F159 HydrophobicContact CB-CE1 3.8Å; V34-F159 HydrophobicContact CB-CG 4.43Å; V34-F159 HydrophobicContact CG1-CD1 3.91Å; V34-F159 HydrophobicContact CG1-CE1 4.04Å; V34-F159 HydrophobicContact CG2-CD1 4.09Å; V34-F159 HydrophobicContact CG2-CE1 3.78Å; V34-F159 HydrophobicContact CG2-CZ 4.37Å; V34-F160 PolarHBondContact O-N 3.18Å |
| 35 | Y | 98.8 | Very high | 96.7 | Very high | 16 Ų | 16 | 54 Ų | 54 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 125.8 | 173.9 | -69.5 | -1 | 0 | 0 | 0 | 108.8 | V4 V5 I6 G7 K33 F160 R162 V164 E173 | V4-Y35 HydrophobicContact CG1-CD1 4.3Å; V4-Y35 HydrophobicContact CG1-CD2 3.47Å; V4-Y35 VanDerWaalsContact CG1-CD2 3.47Å; V4-Y35 HydrophobicContact CG1-CE2 3.8Å; V4-Y35 HydrophobicContact CG1-CG 3.76Å; V4-Y35 HydrophobicContact CG2-CE2 4.45Å; V5-Y35 PolarHBondContact O-N 3.46Å; I6-Y35 CarbonylContact C-O 3.59Å; I6-Y35 VanDerWaalsContact CA-O 3.32Å; I6-Y35 WeakPolarHBondContact CA-O 3.45Å; G7-Y35 PolarHBondContact N-O 2.96Å; K33-Y35 HydrophobicContact CB-CD1 4.46Å; K33-Y35 HydrophobicContact CB-CE1 4.03Å; K33-Y35 HydrophobicContact CD-CE1 4.37Å; Y35-F160 HydrophobicContact CD1-CB 3.67Å; Y35-F160 AromaticContact CD1-CD2 3.72Å; Y35-F160 HydrophobicContact CD1-CD2 3.72Å; Y35-F160 AromaticContact CD1-CG 3.96Å; Y35-F160 HydrophobicContact CD1-CG 3.96Å; Y35-F160 HydrophobicContact CE1-CB 3.84Å; Y35-F160 HydrophobicContact CE1-CD1 4.5Å; Y35-F160 AromaticContact CE1-CD2 3.39Å; Y35-F160 HydrophobicContact CE1-CD2 3.39Å; Y35-F160 HydrophobicContact CE1-CE2 4.04Å; Y35-F160 AromaticContact CE1-CG 3.66Å; Y35-F160 HydrophobicContact CE1-CG 3.66Å; Y35-R162 VanDerWaalsContact CE2-NH1 3.31Å; Y35-V164 HydrophobicContact CD2-CG2 4.14Å; Y35-E173 PolarHBondContact OH-OE2 3.12Å |
| 36 | A | 98.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 150.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | A8 R38 F39 F160 Q161 R162 | A8-A36 HydrophobicContact CB-CB 3.6Å; A36-R38 WeakPolarHBondContact CB-O 3.32Å; A36-F39 HydrophobicContact CB-CE1 4.07Å; A36-F39 HydrophobicContact CB-CE2 3.95Å; A36-F39 HydrophobicContact CB-CZ 3.7Å; A36-F39 VanDerWaalsContact O-CE2 3.3Å; A36-F39 WeakPolarHBondContact O-CE2 3.27Å; A36-F160 PolarHBondContact N-O 3.43Å; A36-F160 VanDerWaalsContact N-O 3.17Å; A36-Q161 CarbonylContact O-C 3.3Å; A36-Q161 WeakPolarHBondContact O-CA 3.3Å; A36-R162 CarbonylContact C-O 3.56Å; A36-R162 PolarHBondContact O-N 3.3Å |
| 37 | D | 98.5 | Very high | 97 | Very high | 60 Ų | 60 | 47.1 Ų | 47.1 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -93.3 | -8.6 | 173.6 | 69.5 | -19.7 | 0 | 0 | 0 | 112.5 | Q161 R162 K163 | D37-Q161 PolarHBondContact O-NE2 2.76Å; D37-R162 PolarHBondContact N-O 3.48Å; D37-K163 HydrophobicContact CB-CB 4.06Å |
| 38 | R | 98.4 | Very high | 97.4 | Very high | 124 Ų | 124 | 47.4 Ų | 47.4 | 47% | 0.468 | 25% | 0.253 | S | S | . | . | trans | -136.7 | 132.6 | 172.7 | -61.4 | -64 | -177.8 | -73.1 | -7.6 | 109.8 | A36 L42 | A36-R38 WeakPolarHBondContact CB-O 3.32Å; R38-L42 HydrophobicContact CB-CB 4.4Å | ||
| 39 | F | 98.6 | Very high | 97.9 | Very high | 43 Ų | 43 | 42.5 Ų | 42.5 | 19% | 0.189 | 24% | 0.235 | C | C | . | . | trans | -121.3 | 168.6 | 170 | -67.2 | -88.9 | 0 | 0 | 0 | 109 | A8 V34 A36 L42 F159 | A8-F39 HydrophobicContact CB-CD1 3.32Å; A8-F39 HydrophobicContact CB-CE1 3.34Å; A8-F39 HydrophobicContact CB-CG 4.2Å; A8-F39 HydrophobicContact CB-CZ 4.25Å; V34-F39 HydrophobicContact CG1-CE1 4.48Å; A36-F39 HydrophobicContact CB-CE1 4.07Å; A36-F39 HydrophobicContact CB-CE2 3.95Å; A36-F39 HydrophobicContact CB-CZ 3.7Å; A36-F39 VanDerWaalsContact O-CE2 3.3Å; A36-F39 WeakPolarHBondContact O-CE2 3.27Å; F39-L42 WeakPolarHBondContact O-CA 3.45Å; F39-L42 WeakPolarHBondContact O-CB 3.48Å; F39-L42 PolarHBondContact O-N 2.96Å; F39-F159 HydrophobicContact CE1-CB 4.43Å; F39-F159 AromaticContact CE1-CD1 3.81Å; F39-F159 HydrophobicContact CE1-CD1 3.81Å | ||
| 40 | T | 98.2 | Very high | 98.2 | Very high | 33 Ų | 33 | 38 Ų | 38 | 20% | 0.202 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.7 | 130.8 | 170.8 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | D46 K142 L145 Q146 | T40-D46 WeakPolarHBondContact CG2-OD1 3.41Å; T40-K142 HydrophobicContact CG2-CG 3.94Å; T40-L145 WeakPolarHBondContact OG1-CB 3.34Å; T40-L145 WeakPolarHBondContact OG1-CD1 3.31Å; T40-Q146 HydrophobicContact CG2-CG 3.99Å |
| 41 | P | 97.1 | Very high | 98.3 | Very high | 80 Ų | 80 | 38 Ų | 38 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -99.4 | 31.6 | 10.2 | 40 | -37.1 | 0 | 0 | 0 | 114.6 | D46 | P41-D46 VanDerWaalsContact C-CG 3.45Å; P41-D46 VanDerWaalsContact C-OD2 3.26Å; P41-D46 VanDerWaalsContact CA-CG 3.46Å; P41-D46 WeakPolarHBondContact CA-OD1 3.27Å |
| 42 | L | 97.8 | Very high | 98.3 | Very high | 119 Ų | 119 | 35.7 Ų | 35.7 | 62% | 0.623 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -111.5 | 13.8 | -168 | -55 | 175.3 | 0 | 0 | 0 | 114.3 | R38 F39 D46 | R38-L42 HydrophobicContact CB-CB 4.4Å; F39-L42 WeakPolarHBondContact O-CA 3.45Å; F39-L42 WeakPolarHBondContact O-CB 3.48Å; F39-L42 PolarHBondContact O-N 2.96Å; L42-D46 PolarHBondContact N-OD2 3.48Å |
| 43 | T | 98.4 | Very high | 98.3 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 9% | 0.092 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -96.9 | 161.4 | 178 | 77.4 | 0 | 0 | 0 | 0 | 111.3 | T45 D46 L145 | T43-T45 PolarHBondContact O-N 3.11Å; T43-T45 WeakPolarHBondContact OG1-CB 3.48Å; T43-T45 PolarHBondContact OG1-N 3.39Å; T43-D46 WeakPolarHBondContact CA-OD2 3.37Å; T43-D46 VanDerWaalsContact CB-OD2 3.32Å; T43-D46 WeakPolarHBondContact CB-OD2 3.33Å; T43-D46 PolarHBondContact N-OD2 3.18Å; T43-D46 WeakPolarHBondContact O-CB 3.24Å; T43-D46 PolarHBondContact O-N 3.2Å; T43-D46 VanDerWaalsContact O-N 3.09Å; T43-D46 PolarHBondContact OG1-N 2.84Å; T43-D46 PolarHBondContact OG1-OD2 3.31Å; T43-L145 HydrophobicContact CG2-CD1 4.27Å; T43-L145 WeakPolarHBondContact OG1-CD1 3.45Å |
| 44 | T | 98.4 | Very high | 98.2 | Very high | 40 Ų | 40 | 33.7 Ų | 33.7 | 25% | 0.245 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.4 | -31.9 | 169.6 | -55.7 | 0 | 0 | 0 | 0 | 112 | D46 V47 A48 F282 | T44-D46 VanDerWaalsContact C-N 3.29Å; T44-D46 PolarHBondContact O-N 3.32Å; T44-V47 PolarHBondContact O-N 2.87Å; T44-V47 VanDerWaalsContact O-N 3.17Å; T44-A48 PolarHBondContact O-N 3.16Å; T44-F282 WeakPolarHBondContact CG2-O 3.44Å; T44-F282 PolarHBondContact OG1-O 3.5Å |
| 45 | T | 98.6 | Very high | 98.1 | Very high | 18 Ų | 18 | 35.8 Ų | 35.8 | 11% | 0.11 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -36.3 | 178.4 | -59.4 | 0 | 0 | 0 | 0 | 111.7 | V10 T43 V47 A48 L145 L316 | V10-T45 HydrophobicContact CB-CG2 3.77Å; V10-T45 HydrophobicContact CG1-CG2 4.2Å; V10-T45 PolarHBondContact N-OG1 3.16Å; V10-T45 VanDerWaalsContact N-OG1 3.09Å; T43-T45 PolarHBondContact O-N 3.11Å; T43-T45 WeakPolarHBondContact OG1-CB 3.48Å; T43-T45 PolarHBondContact OG1-N 3.39Å; T45-V47 PolarHBondContact O-N 2.66Å; T45-A48 WeakPolarHBondContact O-CB 3.34Å; T45-A48 PolarHBondContact O-N 2.74Å; T45-A48 VanDerWaalsContact O-N 3.16Å; T45-L145 HydrophobicContact CG2-CD1 3.79Å; T45-L145 HydrophobicContact CG2-CD2 4.01Å; T45-L145 HydrophobicContact CG2-CG 3.79Å; T45-L316 HydrophobicContact CG2-CD2 4.08Å |
| 46 | D | 98.1 | Very high | 97.8 | Very high | 24 Ų | 24 | 37.2 Ų | 37.2 | 13% | 0.128 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.5 | -23.6 | 177.9 | -61 | -75.3 | 0 | 0 | 0 | 113.1 | T40 P41 L42 T43 T44 K142 | T40-D46 WeakPolarHBondContact CG2-OD1 3.41Å; P41-D46 VanDerWaalsContact C-CG 3.45Å; P41-D46 VanDerWaalsContact C-OD2 3.26Å; P41-D46 VanDerWaalsContact CA-CG 3.46Å; P41-D46 WeakPolarHBondContact CA-OD1 3.27Å; L42-D46 PolarHBondContact N-OD2 3.48Å; T43-D46 WeakPolarHBondContact CA-OD2 3.37Å; T43-D46 VanDerWaalsContact CB-OD2 3.32Å; T43-D46 WeakPolarHBondContact CB-OD2 3.33Å; T43-D46 PolarHBondContact N-OD2 3.18Å; T43-D46 WeakPolarHBondContact O-CB 3.24Å; T43-D46 PolarHBondContact O-N 3.2Å; T43-D46 VanDerWaalsContact O-N 3.09Å; T43-D46 PolarHBondContact OG1-N 2.84Å; T43-D46 PolarHBondContact OG1-OD2 3.31Å; T44-D46 VanDerWaalsContact C-N 3.29Å; T44-D46 PolarHBondContact O-N 3.32Å; D46-K142 WeakPolarHBondContact OD1-CA 3.42Å |
| 47 | V | 97.6 | Very high | 97.4 | Very high | 28 Ų | 28 | 41 Ų | 41 | 17% | 0.17 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -90.7 | -13.8 | 179.3 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | T44 T45 I202 R279 | T44-V47 PolarHBondContact O-N 2.87Å; T44-V47 VanDerWaalsContact O-N 3.17Å; T45-V47 PolarHBondContact O-N 2.66Å; V47-I202 HydrophobicContact CG1-CD1 3.91Å; V47-I202 HydrophobicContact CG1-CG1 3.91Å; V47-I202 WeakPolarHBondContact O-CD1 3.35Å; V47-R279 HydrophobicContact CG1-CB 3.85Å; V47-R279 HydrophobicContact CG2-CB 4.3Å |
| 48 | A | 97.8 | Very high | 96.9 | Very high | 33 Ų | 33 | 43.2 Ų | 43.2 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -60.5 | 146 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | T44 T45 G50 L316 | T44-A48 PolarHBondContact O-N 3.16Å; T45-A48 WeakPolarHBondContact O-CB 3.34Å; T45-A48 PolarHBondContact O-N 2.74Å; T45-A48 VanDerWaalsContact O-N 3.16Å; A48-G50 VanDerWaalsContact C-N 3.25Å; A48-G50 PolarHBondContact O-N 3Å; A48-L316 HydrophobicContact CB-CD1 3.56Å; A48-L316 HydrophobicContact CB-CG 4.38Å |
| 49 | A | 97.9 | Very high | 96.5 | Very high | 24 Ų | 24 | 39.4 Ų | 39.4 | 20% | 0.198 | 23% | 0.233 | C | C | . | . | trans | -68.9 | -24.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y228 I230 T237 | A49-Y228 HydrophobicContact CB-CE2 4.22Å; A49-I230 HydrophobicContact CB-CB 4.41Å; A49-I230 HydrophobicContact CB-CD1 3.53Å; A49-I230 WeakPolarHBondContact O-CG2 2.94Å; A49-T237 HydrophobicContact CB-CG2 3.95Å | ||
| 50 | G | 98.1 | Very high | 96.2 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | trans | 100.4 | -12.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A48 I138 L139 | A48-G50 VanDerWaalsContact C-N 3.25Å; A48-G50 PolarHBondContact O-N 3Å; G50-I138 CarbonylContact O-C 3.58Å; G50-I138 WeakPolarHBondContact O-CA 3.43Å; G50-L139 VanDerWaalsContact CA-O 3.32Å; G50-L139 WeakPolarHBondContact CA-O 3.39Å; G50-L139 PolarHBondContact O-N 3.45Å | ||
| 51 | L | 98.8 | Very high | 96 | Very high | 18 Ų | 18 | 43 Ų | 43 | 9% | 0.094 | 25% | 0.252 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | 131.9 | -179.3 | -176.6 | 65.5 | 0 | 0 | 0 | 112.1 | Q53 I92 I138 F213 L215 I230 | L51-Q53 HydrophobicContact CD2-CB 4.11Å; L51-Q53 HydrophobicContact CG-CB 4.18Å; L51-Q53 PolarHBondContact O-N 2.94Å; L51-I92 HydrophobicContact CD1-CG2 3.9Å; L51-I138 HydrophobicContact CB-CD1 4.24Å; L51-I138 HydrophobicContact CD1-CD1 4.11Å; L51-F213 HydrophobicContact CD1-CD1 3.84Å; L51-F213 HydrophobicContact CD1-CE1 4.24Å; L51-F213 HydrophobicContact CD1-CG 4.21Å; L51-F213 HydrophobicContact CD2-CB 4.48Å; L51-F213 HydrophobicContact CD2-CD1 4.49Å; L51-F213 HydrophobicContact CD2-CD2 4.15Å; L51-F213 HydrophobicContact CD2-CG 4.12Å; L51-L215 HydrophobicContact CD2-CD1 3.53Å; L51-L215 HydrophobicContact CD2-CD2 4.08Å; L51-L215 HydrophobicContact CD2-CG 4.49Å; L51-I230 HydrophobicContact CB-CD1 3.92Å; L51-I230 HydrophobicContact CB-CG1 4.44Å; L51-I230 HydrophobicContact CB-CG2 4.05Å; L51-I230 HydrophobicContact CD2-CD1 4.28Å |
| 52 | W | 98.7 | Very high | 95.9 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.011 | 26% | 0.257 | C | S | . | . | trans | -75 | 107.2 | 161.9 | -169.4 | 101.4 | 0 | 0 | 0 | 108.7 | P54 S68 F72 T110 V111 S136 L137 T317 | W52-P54 HydrophobicContact CH2-CG 3.74Å; W52-P54 HydrophobicContact CZ2-CG 4.2Å; W52-P54 HydrophobicContact CZ3-CG 4.17Å; W52-S68 VanDerWaalsContact CZ2-O 3.31Å; W52-S68 WeakPolarHBondContact CZ2-O 3.33Å; W52-F72 HydrophobicContact CD2-CB 4.4Å; 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 4.21Å; W52-F72 HydrophobicContact CD2-CG 4.4Å; W52-F72 AromaticContact CE2-CD2 3.71Å; W52-F72 AromaticContact CE3-CD2 3.5Å; W52-F72 HydrophobicContact CE3-CD2 3.5Å; W52-F72 VanDerWaalsContact CE3-CD2 3.5Å; W52-F72 AromaticContact CE3-CE2 3.93Å; W52-F72 HydrophobicContact CE3-CE2 3.93Å; W52-F72 HydrophobicContact CG-CD2 4.01Å; W52-F72 HydrophobicContact CH2-CB 4.21Å; W52-F72 HydrophobicContact CH2-CD2 4.14Å; W52-F72 HydrophobicContact CH2-CG 4.46Å; W52-F72 HydrophobicContact CZ2-CB 3.67Å; W52-F72 HydrophobicContact CZ2-CD2 4.07Å; W52-F72 HydrophobicContact CZ2-CG 4.28Å; W52-F72 AromaticContact CZ3-CD2 3.85Å; W52-F72 HydrophobicContact CZ3-CD2 3.85Å; W52-F72 HydrophobicContact CZ3-CE2 4.36Å; W52-T110 HydrophobicContact CH2-CG2 3.33Å; W52-T110 HydrophobicContact CZ2-CG2 3.91Å; W52-T110 HydrophobicContact CZ3-CG2 3.97Å; W52-V111 HydrophobicContact CE3-CG1 4.07Å; W52-V111 HydrophobicContact CZ3-CG1 3.64Å; W52-S136 PolarHBondContact O-OG 2.92Å; W52-L137 HydrophobicContact CB-CB 4.18Å; W52-L137 WeakPolarHBondContact CB-O 3.38Å; W52-L137 PolarHBondContact N-O 2.78Å; W52-T317 HydrophobicContact CD2-CG2 3.79Å; W52-T317 VanDerWaalsContact CE2-CG2 3.46Å; W52-T317 HydrophobicContact CE3-CG2 4.43Å; W52-T317 HydrophobicContact CG-CG2 4.06Å; W52-T317 HydrophobicContact CH2-CG2 4.42Å; W52-T317 HydrophobicContact CZ2-CG2 3.8Å; W52-T317 PolarHBondContact NE1-O 2.72Å | ||
| 53 | Q | 98.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 2% | 0.023 | 25% | 0.247 | C | C | . | . | trans | -159.4 | 126.6 | 170 | -165.7 | -175.6 | 84.8 | 0 | 0 | 108.7 | L51 N96 W107 T317 | L51-Q53 HydrophobicContact CD2-CB 4.11Å; L51-Q53 HydrophobicContact CG-CB 4.18Å; L51-Q53 PolarHBondContact O-N 2.94Å; Q53-N96 PolarHBondContact NE2-ND2 2.96Å; Q53-N96 VanDerWaalsContact NE2-ND2 3.17Å; Q53-N96 PolarHBondContact NE2-OD1 3.31Å; Q53-N96 PolarHBondContact OE1-OD1 3.45Å; Q53-W107 HydrophobicContact CG-CH2 3.9Å; Q53-W107 HydrophobicContact CG-CZ2 3.75Å; Q53-W107 HydrophobicContact CG-CZ3 4.47Å; Q53-T317 VanDerWaalsContact C-CG2 3.48Å; Q53-T317 PolarHBondContact N-OG1 3.07Å; Q53-T317 PolarHBondContact O-OG1 3.06Å; Q53-T317 VanDerWaalsContact O-OG1 3.11Å | ||
| 54 | P | 97.5 | Very high | 95.8 | Very high | 16 Ų | 16 | 41.8 Ų | 41.8 | 10% | 0.104 | 24% | 0.244 | C | C | . | . | trans | -69.8 | 174.6 | 168.4 | -18.6 | 31.9 | 0 | 0 | 0 | 111.3 | W52 W107 T317 | W52-P54 HydrophobicContact CH2-CG 3.74Å; W52-P54 HydrophobicContact CZ2-CG 4.2Å; W52-P54 HydrophobicContact CZ3-CG 4.17Å; P54-W107 HydrophobicContact CB-CG 4.22Å; P54-W107 HydrophobicContact CG-CB 3.93Å; P54-W107 HydrophobicContact CG-CG 3.8Å; P54-T317 HydrophobicContact CB-CG2 4.41Å; P54-T317 HydrophobicContact CG-CG2 3.77Å | ||
| 55 | Y | 96.1 | Very high | 95.7 | Very high | 44 Ų | 44 | 41.9 Ų | 41.9 | 17% | 0.173 | 25% | 0.249 | C | C | . | . | trans | -65.3 | 162.4 | 170.5 | -66.2 | -11.3 | 0 | 0 | 0 | 111.5 | W107 I223 Y224 G313 Y314 | Y55-W107 PolarHBondContact O-NE1 3.46Å; Y55-I223 HydrophobicContact CD1-CD1 3.15Å; Y55-I223 HydrophobicContact CD1-CG1 4.37Å; Y55-I223 HydrophobicContact CD2-CD1 4.11Å; Y55-I223 HydrophobicContact CE1-CD1 3.68Å; Y55-I223 HydrophobicContact CG-CD1 3.37Å; Y55-Y224 HydrophobicContact CD1-CE2 4.23Å; Y55-Y224 AromaticContact CE1-CE2 3.72Å; Y55-Y224 HydrophobicContact CE1-CE2 3.72Å; Y55-G313 PolarHBondContact OH-N 3.39Å; Y55-Y314 AromaticContact CD1-CD1 3.93Å; Y55-Y314 HydrophobicContact CD1-CD1 3.93Å; Y55-Y314 HydrophobicContact CD2-CD1 4.11Å; Y55-Y314 HydrophobicContact CD2-CE1 4.01Å; Y55-Y314 AromaticContact CE1-CD1 3.53Å; Y55-Y314 HydrophobicContact CE1-CD1 3.53Å; Y55-Y314 HydrophobicContact CE1-CE1 4.26Å; Y55-Y314 HydrophobicContact CE1-CG 4.45Å; Y55-Y314 AromaticContact CE2-CD1 3.72Å; Y55-Y314 HydrophobicContact CE2-CD1 3.72Å; Y55-Y314 AromaticContact CE2-CE1 3.56Å; Y55-Y314 HydrophobicContact CE2-CE1 3.56Å; Y55-Y314 HydrophobicContact CG-CD1 4.24Å; Y55-Y314 AromaticContact CZ-CD1 3.44Å; Y55-Y314 VanDerWaalsContact CZ-CD1 3.44Å; Y55-Y314 AromaticContact CZ-CE1 3.73Å | ||
| 56 | L | 93.1 | Very high | 95.7 | Very high | 45 Ų | 45 | 45.7 Ų | 45.7 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -70.9 | -38.6 | 178.8 | -60.6 | -177.9 | 0 | 0 | 0 | 112.6 | F98 W107 W132 H217 | L56-F98 HydrophobicContact CD1-CE1 3.62Å; L56-F98 HydrophobicContact CD1-CZ 4.13Å; L56-F98 HydrophobicContact CD2-CZ 4.21Å; L56-W107 HydrophobicContact CD2-CZ2 4.19Å; L56-W132 HydrophobicContact CD2-CH2 4.06Å; L56-W132 HydrophobicContact CD2-CZ3 3.61Å; L56-H217 HydrophobicContact CD1-CB 4.15Å |
| 57 | S | 89 | Confident | 95.7 | Very high | 84 Ų | 84 | 45 Ų | 45 | 59% | 0.587 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -81 | 143.9 | 175.5 | 57 | 0 | 0 | 0 | 0 | 110.6 | ||
| 58 | D | 88.8 | Confident | 95.7 | Very high | 108 Ų | 108 | 44 Ų | 44 | 58% | 0.578 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -58.7 | 143.5 | 173.2 | -69.2 | -21.8 | 0 | 0 | 0 | 111.6 | S106 | D58-S106 WeakPolarHBondContact OD1-CB 3.36Å; D58-S106 PolarHBondContact OD1-OG 3.34Å |
| 59 | P | 90.4 | Very high | 95.7 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 29% | 0.286 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 149.1 | 178.2 | 29.6 | -34.8 | 0 | 0 | 0 | 111 | N61 E64 | P59-N61 WeakPolarHBondContact CG-O 3.32Å; P59-N61 PolarHBondContact O-N 2.82Å; P59-E64 HydrophobicContact CB-CB 3.77Å; P59-E64 HydrophobicContact CB-CG 4.34Å; P59-E64 HydrophobicContact CG-CB 3.84Å |
| 60 | N | 92 | Very high | 95.8 | Very high | 124 Ų | 124 | 47.5 Ų | 47.5 | 66% | 0.663 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -60.8 | -33.2 | 174.7 | -70.9 | -41.8 | 0 | 0 | 0 | 112.3 | P287 | N60-P287 PolarHBondContact ND2-O 2.81Š|
| 61 | N | 93.9 | Very high | 95.8 | Very high | 26 Ų | 26 | 47.3 Ų | 47.3 | 14% | 0.139 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -99.9 | 112.7 | 170.4 | 179.7 | 6.2 | 0 | 0 | 0 | 109.7 | P59 Q63 E64 Q288 | P59-N61 WeakPolarHBondContact CG-O 3.32Å; P59-N61 PolarHBondContact O-N 2.82Å; N61-Q63 PolarHBondContact ND2-OE1 3.39Å; N61-Q63 PolarHBondContact O-N 2.79Å; N61-Q63 VanDerWaalsContact O-N 3.11Å; N61-Q63 WeakPolarHBondContact OD1-CB 3.27Å; N61-Q63 WeakPolarHBondContact OD1-CG 3.36Å; N61-Q63 PolarHBondContact OD1-N 3.27Å; N61-Q63 VanDerWaalsContact OD1-N 3.1Å; N61-E64 HydrophobicContact CB-CG 4.16Å; N61-E64 WeakPolarHBondContact O-CB 3.33Å; N61-E64 WeakPolarHBondContact O-CG 3.46Å; N61-E64 PolarHBondContact O-N 3.1Å; N61-Q288 HydrophobicContact CB-CB 4.25Å |
| 62 | P | 94.4 | Very high | 95.8 | Very high | 97 Ų | 97 | 46.6 Ų | 46.6 | 63% | 0.63 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.4 | -178.5 | 24.5 | -34.2 | 0 | 0 | 0 | 113.7 | E64 A65 | P62-E64 PolarHBondContact O-N 2.94Å; P62-E64 VanDerWaalsContact O-N 3.16Å; P62-A65 WeakPolarHBondContact O-CB 3.23Å; P62-A65 PolarHBondContact O-N 3.48Å; P62-A65 VanDerWaalsContact O-N 3.1Å |
| 63 | Q | 96.5 | Very high | 95.8 | Very high | 88 Ų | 88 | 50.2 Ų | 50.2 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.9 | -24 | 175.2 | -61.7 | -177.1 | -60.4 | 0 | 0 | 112.8 | N61 A65 D66 W67 | N61-Q63 PolarHBondContact ND2-OE1 3.39Å; N61-Q63 PolarHBondContact O-N 2.79Å; N61-Q63 VanDerWaalsContact O-N 3.11Å; N61-Q63 WeakPolarHBondContact OD1-CB 3.27Å; N61-Q63 WeakPolarHBondContact OD1-CG 3.36Å; N61-Q63 PolarHBondContact OD1-N 3.27Å; N61-Q63 VanDerWaalsContact OD1-N 3.1Å; Q63-A65 PolarHBondContact O-N 2.94Å; Q63-D66 PolarHBondContact O-N 3.02Å; Q63-W67 HydrophobicContact CB-CH2 4.18Å; Q63-W67 HydrophobicContact CB-CZ2 3.78Å; Q63-W67 VanDerWaalsContact O-CG 3.27Å; Q63-W67 PolarHBondContact O-N 2.9Å |
| 64 | E | 97.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.019 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.2 | -27.3 | 178.3 | -63.2 | -172.3 | -153.6 | 0 | 0 | 112.1 | P59 N61 P62 W67 S68 Q288 I289 Y314 I318 | P59-E64 HydrophobicContact CB-CB 3.77Å; P59-E64 HydrophobicContact CB-CG 4.34Å; P59-E64 HydrophobicContact CG-CB 3.84Å; N61-E64 HydrophobicContact CB-CG 4.16Å; N61-E64 WeakPolarHBondContact O-CB 3.33Å; N61-E64 WeakPolarHBondContact O-CG 3.46Å; N61-E64 PolarHBondContact O-N 3.1Å; P62-E64 PolarHBondContact O-N 2.94Å; P62-E64 VanDerWaalsContact O-N 3.16Å; E64-W67 HydrophobicContact CB-CE3 4.34Å; E64-W67 HydrophobicContact CG-CE3 3.87Å; E64-W67 HydrophobicContact CG-CZ3 3.75Å; E64-S68 WeakPolarHBondContact O-CB 3.42Å; E64-S68 PolarHBondContact O-N 2.71Å; E64-S68 PolarHBondContact O-OG 3.32Å; E64-Q288 WeakPolarHBondContact OE1-CA 3.43Å; E64-I289 HydrophobicContact CG-CD1 4.04Å; E64-I289 PolarHBondContact OE1-N 3.22Å; E64-Y314 WeakPolarHBondContact OE2-CE2 3.3Å; E64-Y314 PolarHBondContact OE2-OH 3.12Å; E64-I318 HydrophobicContact CB-CD1 3.77Å; E64-I318 HydrophobicContact CG-CD1 4.25Å; E64-I318 VanDerWaalsContact O-CD1 3.3Å; E64-I318 WeakPolarHBondContact O-CD1 3.39Å |
| 65 | A | 96.8 | Very high | 95.8 | Very high | 43 Ų | 43 | 50.6 Ų | 50.6 | 36% | 0.355 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.6 | -45.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | P62 Q63 W67 S68 Q69 | P62-A65 WeakPolarHBondContact O-CB 3.23Å; P62-A65 PolarHBondContact O-N 3.48Å; P62-A65 VanDerWaalsContact O-N 3.1Å; Q63-A65 PolarHBondContact O-N 2.94Å; A65-W67 VanDerWaalsContact C-N 3.34Å; A65-W67 PolarHBondContact O-N 3.29Å; A65-S68 WeakPolarHBondContact O-CB 3.44Å; A65-S68 PolarHBondContact O-N 3.48Å; A65-Q69 PolarHBondContact O-N 3.06Å |
| 66 | D | 97.5 | Very high | 95.9 | Very high | 98 Ų | 98 | 50.9 Ų | 50.9 | 52% | 0.524 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 176.3 | -65.9 | -26.1 | 0 | 0 | 0 | 111.6 | Q63 S68 Q69 Q70 | Q63-D66 PolarHBondContact O-N 3.02Å; D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 PolarHBondContact O-N 3.3Å; D66-Q69 PolarHBondContact O-N 3.43Å; D66-Q70 WeakPolarHBondContact O-CB 3.31Å; D66-Q70 VanDerWaalsContact O-CG 3.24Å; D66-Q70 WeakPolarHBondContact O-CG 3.44Å; D66-Q70 PolarHBondContact O-N 2.94Å; D66-Q70 PolarHBondContact O-NE2 2.93Å |
| 67 | W | 98.6 | Very high | 96.1 | Very high | 9 Ų | 9 | 53 Ų | 53 | 3% | 0.034 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.1 | -35.3 | 177.5 | -62.1 | -24.4 | 0 | 0 | 0 | 112.5 | Q63 E64 A65 T71 I289 L291 I318 G321 E325 | Q63-W67 HydrophobicContact CB-CH2 4.18Å; Q63-W67 HydrophobicContact CB-CZ2 3.78Å; Q63-W67 VanDerWaalsContact O-CG 3.27Å; Q63-W67 PolarHBondContact O-N 2.9Å; E64-W67 HydrophobicContact CB-CE3 4.34Å; E64-W67 HydrophobicContact CG-CE3 3.87Å; E64-W67 HydrophobicContact CG-CZ3 3.75Å; A65-W67 VanDerWaalsContact C-N 3.34Å; A65-W67 PolarHBondContact O-N 3.29Å; W67-T71 WeakPolarHBondContact O-CB 3.47Å; W67-T71 PolarHBondContact O-N 2.9Å; W67-T71 PolarHBondContact O-OG1 3.44Å; W67-I289 HydrophobicContact CE3-CD1 4.31Å; W67-I289 HydrophobicContact CZ3-CB 4.25Å; W67-I289 HydrophobicContact CZ3-CD1 4.27Å; W67-I289 HydrophobicContact CZ3-CG2 4.28Å; W67-L291 HydrophobicContact CH2-CB 4Å; W67-L291 HydrophobicContact CH2-CD2 3.71Å; W67-L291 HydrophobicContact CH2-CG 4.39Å; W67-L291 HydrophobicContact CZ2-CD2 3.72Å; W67-L291 HydrophobicContact CZ3-CB 4.45Å; W67-L291 HydrophobicContact CZ3-CD2 4.11Å; W67-I318 HydrophobicContact CB-CD1 4.01Å; W67-I318 HydrophobicContact CB-CG1 3.55Å; W67-I318 HydrophobicContact CE3-CD1 4.14Å; W67-G321 WeakPolarHBondContact O-CA 3.4Å; W67-E325 HydrophobicContact CZ2-CB 4.37Å; W67-E325 HydrophobicContact CZ2-CG 4.04Å |
| 68 | S | 98.4 | Very high | 96.4 | Very high | 7 Ų | 7 | 51.3 Ų | 51.3 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -48.9 | 174.8 | -60.7 | 0 | 0 | 0 | 0 | 110 | W52 E64 A65 D66 Q70 T71 F72 | W52-S68 VanDerWaalsContact CZ2-O 3.31Å; W52-S68 WeakPolarHBondContact CZ2-O 3.33Å; E64-S68 WeakPolarHBondContact O-CB 3.42Å; E64-S68 PolarHBondContact O-N 2.71Å; E64-S68 PolarHBondContact O-OG 3.32Å; A65-S68 WeakPolarHBondContact O-CB 3.44Å; A65-S68 PolarHBondContact O-N 3.48Å; D66-S68 VanDerWaalsContact C-N 3.31Å; D66-S68 PolarHBondContact O-N 3.3Å; S68-Q70 PolarHBondContact O-N 3.15Å; S68-T71 WeakPolarHBondContact O-CA 3.24Å; S68-T71 WeakPolarHBondContact O-CB 3.5Å; S68-T71 PolarHBondContact O-N 3.45Å; S68-F72 PolarHBondContact O-N 2.78Å |
| 69 | Q | 98.3 | Very high | 96.7 | Very high | 59 Ų | 59 | 47 Ų | 47 | 28% | 0.276 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -55 | -49.8 | 175.6 | -179.6 | 63.8 | 59.9 | 0 | 0 | 111.7 | A65 D66 T71 F72 D73 T110 | A65-Q69 PolarHBondContact O-N 3.06Å; D66-Q69 PolarHBondContact O-N 3.43Å; Q69-T71 PolarHBondContact O-N 2.94Å; Q69-F72 WeakPolarHBondContact O-CB 3.39Å; Q69-F72 PolarHBondContact O-N 3.36Å; Q69-D73 VanDerWaalsContact NE2-CG 3.27Å; Q69-D73 PolarHBondContact NE2-OD1 3.39Å; Q69-D73 PolarHBondContact NE2-OD2 3.32Å; Q69-D73 VanDerWaalsContact NE2-OD2 3.1Å; Q69-D73 PolarHBondContact O-N 2.85Å; Q69-T110 VanDerWaalsContact OE1-CB 3.24Å; Q69-T110 VanDerWaalsContact OE1-CG2 3.22Å; Q69-T110 PolarHBondContact OE1-OG1 3.29Å |
| 70 | Q | 98.6 | Very high | 96.8 | Very high | 72 Ų | 72 | 52.6 Ų | 52.6 | 34% | 0.336 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.1 | -34.5 | 176.8 | -73 | 167.2 | 47.1 | 0 | 0 | 112.7 | D66 S68 Y74 L324 | D66-Q70 WeakPolarHBondContact O-CB 3.31Å; D66-Q70 VanDerWaalsContact O-CG 3.24Å; D66-Q70 WeakPolarHBondContact O-CG 3.44Å; D66-Q70 PolarHBondContact O-N 2.94Å; D66-Q70 PolarHBondContact O-NE2 2.93Å; S68-Q70 PolarHBondContact O-N 3.15Å; Q70-Y74 VanDerWaalsContact O-CB 3.26Å; Q70-Y74 WeakPolarHBondContact O-CB 3.33Å; Q70-Y74 PolarHBondContact O-N 3.43Å; Q70-L324 HydrophobicContact CB-CD1 4.37Å |
| 71 | T | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.6 | -40.9 | 176.2 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | W67 S68 Q69 Y74 L75 T317 I318 W320 G321 | W67-T71 WeakPolarHBondContact O-CB 3.47Å; W67-T71 PolarHBondContact O-N 2.9Å; W67-T71 PolarHBondContact O-OG1 3.44Å; S68-T71 WeakPolarHBondContact O-CA 3.24Å; S68-T71 WeakPolarHBondContact O-CB 3.5Å; S68-T71 PolarHBondContact O-N 3.45Å; Q69-T71 PolarHBondContact O-N 2.94Å; T71-Y74 PolarHBondContact O-N 3.34Å; T71-L75 HydrophobicContact CG2-CD1 4Å; T71-L75 HydrophobicContact CG2-CG 4.38Å; T71-L75 WeakPolarHBondContact O-CB 3.3Å; T71-L75 VanDerWaalsContact O-CG 3.25Å; T71-L75 WeakPolarHBondContact O-CG 3.36Å; T71-L75 PolarHBondContact O-N 3.2Å; T71-T317 WeakPolarHBondContact CB-O 3.32Å; T71-T317 WeakPolarHBondContact CG2-O 3.32Å; T71-I318 PolarHBondContact OG1-O 2.93Å; T71-W320 HydrophobicContact CG2-CB 4.06Å; T71-W320 PolarHBondContact OG1-N 3.43Å; T71-G321 PolarHBondContact OG1-N 2.78Å |
| 72 | F | 98.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 174.5 | -167.1 | -96.1 | 0 | 0 | 0 | 111.3 | W52 S68 Q69 Y74 L75 L76 T110 L112 L137 | W52-F72 HydrophobicContact CD2-CB 4.4Å; 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 4.21Å; W52-F72 HydrophobicContact CD2-CG 4.4Å; W52-F72 AromaticContact CE2-CD2 3.71Å; W52-F72 AromaticContact CE3-CD2 3.5Å; W52-F72 HydrophobicContact CE3-CD2 3.5Å; W52-F72 VanDerWaalsContact CE3-CD2 3.5Å; W52-F72 AromaticContact CE3-CE2 3.93Å; W52-F72 HydrophobicContact CE3-CE2 3.93Å; W52-F72 HydrophobicContact CG-CD2 4.01Å; W52-F72 HydrophobicContact CH2-CB 4.21Å; W52-F72 HydrophobicContact CH2-CD2 4.14Å; W52-F72 HydrophobicContact CH2-CG 4.46Å; W52-F72 HydrophobicContact CZ2-CB 3.67Å; W52-F72 HydrophobicContact CZ2-CD2 4.07Å; W52-F72 HydrophobicContact CZ2-CG 4.28Å; W52-F72 AromaticContact CZ3-CD2 3.85Å; W52-F72 HydrophobicContact CZ3-CD2 3.85Å; W52-F72 HydrophobicContact CZ3-CE2 4.36Å; S68-F72 PolarHBondContact O-N 2.78Å; Q69-F72 WeakPolarHBondContact O-CB 3.39Å; Q69-F72 PolarHBondContact O-N 3.36Å; F72-Y74 VanDerWaalsContact C-N 3.33Å; F72-Y74 PolarHBondContact O-N 2.88Å; F72-L75 PolarHBondContact O-N 2.91Å; F72-L76 HydrophobicContact CE1-CD2 4.04Å; F72-L76 VanDerWaalsContact O-CB 3.24Å; F72-L76 WeakPolarHBondContact O-CB 3.35Å; F72-L76 PolarHBondContact O-N 3.37Å; F72-T110 HydrophobicContact CB-CG2 3.56Å; F72-T110 HydrophobicContact CD1-CG2 3.94Å; F72-T110 VanDerWaalsContact CD1-O 3.27Å; F72-T110 WeakPolarHBondContact CD1-O 3.12Å; F72-T110 HydrophobicContact CD2-CG2 4.23Å; F72-T110 WeakPolarHBondContact CE1-O 3.28Å; F72-T110 HydrophobicContact CG-CG2 3.64Å; F72-L112 HydrophobicContact CE1-CD2 4.3Å; F72-L112 HydrophobicContact CE1-CG 4.35Å; F72-L112 HydrophobicContact CZ-CG 4.12Å; F72-L137 HydrophobicContact CD2-CD1 3.83Å; F72-L137 HydrophobicContact CE2-CD1 3.73Å; F72-L137 HydrophobicContact CE2-CG 4.05Å; F72-L137 HydrophobicContact CG-CD1 4.4Å; F72-L137 HydrophobicContact CZ-CD1 4.18Å; F72-L137 HydrophobicContact CZ-CG 4.47Å |
| 73 | D | 98.5 | Very high | 96.5 | Very high | 79 Ų | 79 | 52 Ų | 52 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.3 | -42.5 | -179.6 | -65.6 | -27.6 | 0 | 0 | 0 | 111.7 | Q69 L76 S77 | Q69-D73 VanDerWaalsContact NE2-CG 3.27Å; Q69-D73 PolarHBondContact NE2-OD1 3.39Å; Q69-D73 PolarHBondContact NE2-OD2 3.32Å; Q69-D73 VanDerWaalsContact NE2-OD2 3.1Å; Q69-D73 PolarHBondContact O-N 2.85Å; D73-L76 PolarHBondContact O-N 2.93Å; D73-S77 PolarHBondContact O-N 3.31Å |
| 74 | Y | 98.2 | Very high | 96.4 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 174.9 | 169.7 | -101.2 | 0 | 0 | 0 | 112 | Q70 T71 F72 S77 H78 W320 | Q70-Y74 VanDerWaalsContact O-CB 3.26Å; Q70-Y74 WeakPolarHBondContact O-CB 3.33Å; Q70-Y74 PolarHBondContact O-N 3.43Å; T71-Y74 PolarHBondContact O-N 3.34Å; F72-Y74 VanDerWaalsContact C-N 3.33Å; F72-Y74 PolarHBondContact O-N 2.88Å; Y74-S77 PolarHBondContact O-N 2.97Å; Y74-S77 PolarHBondContact O-OG 2.89Å; Y74-H78 AromaticContact CD2-CE1 3.64Å; Y74-H78 AromaticContact CD2-ND1 3.97Å; Y74-H78 AromaticContact CE2-CE1 3.23Å; Y74-H78 WeakPolarHBondContact CE2-CE1 3.3Å; Y74-H78 AromaticContact CE2-ND1 3.83Å; Y74-H78 AromaticContact CZ-CE1 3.71Å; Y74-H78 PolarHBondContact O-ND1 2.97Å; Y74-W320 HydrophobicContact CD1-CB 3.98Å; Y74-W320 AromaticContact CD1-CD1 3.9Å; Y74-W320 AromaticContact CD1-CD2 3.84Å; Y74-W320 HydrophobicContact CD1-CD2 3.84Å; Y74-W320 HydrophobicContact CD1-CE3 4.39Å; Y74-W320 AromaticContact CD1-CG 3.62Å; Y74-W320 HydrophobicContact CD1-CG 3.62Å; Y74-W320 AromaticContact CD2-CD1 3.66Å; Y74-W320 AromaticContact CD2-CD2 3.92Å; Y74-W320 HydrophobicContact CD2-CD2 3.92Å; Y74-W320 AromaticContact CD2-CE2 3.43Å; Y74-W320 VanDerWaalsContact CD2-CE2 3.43Å; Y74-W320 HydrophobicContact CD2-CG 4.05Å; Y74-W320 AromaticContact CD2-CZ2 3.92Å; Y74-W320 HydrophobicContact CD2-CZ2 3.92Å; Y74-W320 AromaticContact CD2-NE1 3.24Å; Y74-W320 AromaticContact CE1-CD2 3.85Å; Y74-W320 HydrophobicContact CE1-CD2 3.85Å; Y74-W320 AromaticContact CE1-CE3 3.97Å; Y74-W320 HydrophobicContact CE1-CE3 3.97Å; Y74-W320 HydrophobicContact CE1-CG 4.13Å; Y74-W320 HydrophobicContact CE1-CZ3 4.49Å; Y74-W320 AromaticContact CE2-CD2 3.91Å; Y74-W320 HydrophobicContact CE2-CD2 3.91Å; Y74-W320 AromaticContact CE2-CE2 3.44Å; Y74-W320 VanDerWaalsContact CE2-CE2 3.44Å; Y74-W320 HydrophobicContact CE2-CE3 4.34Å; Y74-W320 HydrophobicContact CE2-CG 4.48Å; Y74-W320 AromaticContact CE2-CH2 3.99Å; Y74-W320 HydrophobicContact CE2-CH2 3.99Å; Y74-W320 AromaticContact CE2-CZ2 3.5Å; Y74-W320 HydrophobicContact CE2-CZ2 3.5Å; Y74-W320 VanDerWaalsContact CE2-CZ2 3.5Å; Y74-W320 HydrophobicContact CE2-CZ3 4.39Å; Y74-W320 AromaticContact CE2-NE1 3.79Å; Y74-W320 HydrophobicContact CG-CB 4.29Å; Y74-W320 AromaticContact CG-CD1 3.35Å; Y74-W320 AromaticContact CG-CD2 3.87Å; Y74-W320 HydrophobicContact CG-CD2 3.87Å; Y74-W320 AromaticContact CG-CE2 3.84Å; Y74-W320 AromaticContact CG-CG 3.58Å; Y74-W320 HydrophobicContact CG-CG 3.58Å; Y74-W320 AromaticContact CG-NE1 3.49Å; Y74-W320 AromaticContact CZ-CD2 3.88Å; Y74-W320 AromaticContact CZ-CE2 3.9Å; Y74-W320 AromaticContact CZ-CE3 3.94Å; Y74-W320 AromaticContact CZ-CZ2 3.99Å |
| 75 | L | 98.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.1 | -41 | -179.9 | -67.3 | 175 | 0 | 0 | 0 | 111.1 | T71 F72 S77 H78 V79 L89 L137 L139 | T71-L75 HydrophobicContact CG2-CD1 4Å; T71-L75 HydrophobicContact CG2-CG 4.38Å; T71-L75 WeakPolarHBondContact O-CB 3.3Å; T71-L75 VanDerWaalsContact O-CG 3.25Å; T71-L75 WeakPolarHBondContact O-CG 3.36Å; T71-L75 PolarHBondContact O-N 3.2Å; F72-L75 PolarHBondContact O-N 2.91Å; L75-S77 VanDerWaalsContact C-N 3.26Å; L75-S77 PolarHBondContact O-N 3.36Å; L75-H78 PolarHBondContact O-N 3.31Å; L75-V79 PolarHBondContact O-N 3.41Å; L75-V79 VanDerWaalsContact O-N 3.13Å; L75-L89 HydrophobicContact CB-CD1 4.1Å; L75-L89 HydrophobicContact CB-CD2 4.41Å; L75-L89 HydrophobicContact CD2-CD1 4.32Å; L75-L89 HydrophobicContact CD2-CD2 4.24Å; L75-L89 WeakPolarHBondContact O-CD2 3.46Å; L75-L137 HydrophobicContact CB-CD1 3.65Å; L75-L139 HydrophobicContact CD1-CD2 3.93Å; L75-L139 HydrophobicContact CD2-CD1 4.08Å; L75-L139 HydrophobicContact CD2-CD2 3.92Å |
| 76 | L | 97.7 | Very high | 95.9 | Very high | 51 Ų | 51 | 58.3 Ų | 58.3 | 27% | 0.267 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.9 | -37.1 | 176.6 | -170.5 | 66.3 | 0 | 0 | 0 | 111.5 | F72 D73 H78 V79 L91 L112 L137 | F72-L76 HydrophobicContact CE1-CD2 4.04Å; F72-L76 VanDerWaalsContact O-CB 3.24Å; F72-L76 WeakPolarHBondContact O-CB 3.35Å; F72-L76 PolarHBondContact O-N 3.37Å; D73-L76 PolarHBondContact O-N 2.93Å; L76-H78 PolarHBondContact O-N 3.49Å; L76-V79 HydrophobicContact CD1-CG1 4.22Å; L76-V79 WeakPolarHBondContact O-CG1 3.42Å; L76-V79 PolarHBondContact O-N 2.87Å; L76-L91 HydrophobicContact CD1-CD2 4.24Å; L76-L112 HydrophobicContact CD1-CD1 4.12Å; L76-L112 HydrophobicContact CD2-CD2 4.44Å; L76-L137 HydrophobicContact CB-CD1 4.4Å |
| 77 | S | 96.7 | Very high | 95.7 | Very high | 88 Ų | 88 | 53.8 Ų | 53.8 | 62% | 0.615 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.1 | -17.5 | 175.6 | 83.1 | 0 | 0 | 0 | 0 | 113.7 | D73 Y74 L75 | D73-S77 PolarHBondContact O-N 3.31Å; Y74-S77 PolarHBondContact O-N 2.97Å; Y74-S77 PolarHBondContact O-OG 2.89Å; L75-S77 VanDerWaalsContact C-N 3.26Å; L75-S77 PolarHBondContact O-N 3.36Å |
| 78 | H | 95.8 | Very high | 95.5 | Very high | 49 Ų | 49 | 53.3 Ų | 53.3 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -101.8 | -13.9 | -179.8 | -70.3 | 81.8 | 0 | 0 | 0 | 113.7 | Y74 L75 L76 H80 S81 L89 | Y74-H78 AromaticContact CD2-CE1 3.64Å; Y74-H78 AromaticContact CD2-ND1 3.97Å; Y74-H78 AromaticContact CE2-CE1 3.23Å; Y74-H78 WeakPolarHBondContact CE2-CE1 3.3Å; Y74-H78 AromaticContact CE2-ND1 3.83Å; Y74-H78 AromaticContact CZ-CE1 3.71Å; Y74-H78 PolarHBondContact O-ND1 2.97Å; L75-H78 PolarHBondContact O-N 3.31Å; L76-H78 PolarHBondContact O-N 3.49Å; H78-H80 PolarHBondContact O-N 2.97Å; H78-H80 VanDerWaalsContact O-N 3.15Å; H78-S81 WeakPolarHBondContact O-CB 3.29Å; H78-S81 PolarHBondContact O-N 3.42Å; H78-L89 HydrophobicContact CB-CD2 3.79Å |
| 79 | V | 94.9 | Very high | 95.5 | Very high | 17 Ų | 17 | 53.1 Ų | 53.1 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -24.1 | -170.7 | 81 | 0 | 0 | 0 | 0 | 113.9 | L75 L76 A84 L89 L91 L137 | L75-V79 PolarHBondContact O-N 3.41Å; L75-V79 VanDerWaalsContact O-N 3.13Å; L76-V79 HydrophobicContact CD1-CG1 4.22Å; L76-V79 WeakPolarHBondContact O-CG1 3.42Å; L76-V79 PolarHBondContact O-N 2.87Å; V79-A84 WeakPolarHBondContact O-CB 3.41Å; V79-L89 HydrophobicContact CG2-CG 4.36Å; V79-L91 HydrophobicContact CG2-CG 4.08Å; V79-L137 HydrophobicContact CB-CD2 4.23Å; V79-L137 HydrophobicContact CG2-CD2 3.86Å |
| 80 | H | 91.8 | Very high | 95.5 | Very high | 162 Ų | 162 | 53.1 Ų | 53.1 | 75% | 0.75 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.5 | 176.3 | -60.8 | -54.7 | 0 | 0 | 0 | 113.5 | H78 | H78-H80 PolarHBondContact O-N 2.97Å; H78-H80 VanDerWaalsContact O-N 3.15Å |
| 81 | S | 93 | Very high | 95.5 | Very high | 41 Ų | 41 | 53 Ų | 53 | 29% | 0.287 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -68.3 | 145.1 | 174.9 | -178.6 | 0 | 0 | 0 | 0 | 110.4 | H78 N83 A84 | H78-S81 WeakPolarHBondContact O-CB 3.29Å; H78-S81 PolarHBondContact O-N 3.42Å; S81-N83 PolarHBondContact O-N 3.38Å; S81-N83 PolarHBondContact OG-N 2.88Å; S81-A84 VanDerWaalsContact O-CB 3.3Å; S81-A84 WeakPolarHBondContact O-CB 3.46Å; S81-A84 PolarHBondContact O-N 2.93Å |
| 82 | P | 92.2 | Very high | 95.5 | Very high | 130 Ų | 130 | 53.4 Ų | 53.4 | 84% | 0.844 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -19.3 | 169.7 | -25.1 | 34.3 | 0 | 0 | 0 | 113.8 | ||
| 83 | N | 90.4 | Very high | 95.5 | Very high | 64 Ų | 64 | 54.7 Ų | 54.7 | 34% | 0.342 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -6.9 | 178.1 | -66.8 | -52.6 | 0 | 0 | 0 | 114 | S81 E85 N86 L87 | S81-N83 PolarHBondContact O-N 3.38Å; S81-N83 PolarHBondContact OG-N 2.88Å; N83-E85 VanDerWaalsContact C-N 3.26Å; N83-E85 PolarHBondContact O-N 3.31Å; N83-E85 VanDerWaalsContact O-N 3.16Å; N83-N86 WeakPolarHBondContact O-CA 3.27Å; N83-N86 WeakPolarHBondContact O-CB 3.42Å; N83-N86 PolarHBondContact O-N 3.39Å; N83-L87 HydrophobicContact CB-CD1 3.77Å; N83-L87 WeakPolarHBondContact O-CD1 3.27Å; N83-L87 PolarHBondContact O-N 3.2Å; N83-L87 VanDerWaalsContact O-N 3.13Å |
| 84 | A | 94 | Very high | 95.5 | Very high | 9 Ų | 9 | 51 Ų | 51 | 7% | 0.074 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.1 | -40.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V79 S81 N86 L87 G88 L89 | V79-A84 WeakPolarHBondContact O-CB 3.41Å; S81-A84 VanDerWaalsContact O-CB 3.3Å; S81-A84 WeakPolarHBondContact O-CB 3.46Å; S81-A84 PolarHBondContact O-N 2.93Å; A84-N86 PolarHBondContact O-N 3.45Å; A84-L87 WeakPolarHBondContact O-CB 3.22Å; A84-L87 PolarHBondContact O-N 3.34Å; A84-G88 PolarHBondContact O-N 2.91Å; A84-L89 PolarHBondContact O-N 3.29Å |
| 85 | E | 91 | Very high | 95.5 | Very high | 158 Ų | 158 | 50.8 Ų | 50.8 | 74% | 0.738 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.3 | -42.2 | 175.4 | -173.5 | 176.4 | -178.2 | 0 | 0 | 112.5 | N83 L87 G88 | N83-E85 VanDerWaalsContact C-N 3.26Å; N83-E85 PolarHBondContact O-N 3.31Å; N83-E85 VanDerWaalsContact O-N 3.16Å; E85-L87 VanDerWaalsContact C-N 3.27Å; E85-L87 PolarHBondContact O-N 2.95Å; E85-G88 WeakPolarHBondContact O-CA 3.27Å; E85-G88 PolarHBondContact O-N 2.98Å |
| 86 | N | 91.7 | Very high | 95.5 | Very high | 101 Ų | 101 | 50.8 Ų | 50.8 | 54% | 0.54 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.3 | -30.2 | 177.3 | -64.7 | -23.4 | 0 | 0 | 0 | 112.2 | N83 A84 G88 | N83-N86 WeakPolarHBondContact O-CA 3.27Å; N83-N86 WeakPolarHBondContact O-CB 3.42Å; N83-N86 PolarHBondContact O-N 3.39Å; A84-N86 PolarHBondContact O-N 3.45Å; N86-G88 PolarHBondContact O-N 3.37Å |
| 87 | L | 93.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -71.8 | -14.8 | 171.8 | -77 | 82.7 | 0 | 0 | 0 | 112.3 | N83 A84 E85 L89 Y144 W147 | N83-L87 HydrophobicContact CB-CD1 3.77Å; N83-L87 WeakPolarHBondContact O-CD1 3.27Å; N83-L87 PolarHBondContact O-N 3.2Å; N83-L87 VanDerWaalsContact O-N 3.13Å; A84-L87 WeakPolarHBondContact O-CB 3.22Å; A84-L87 PolarHBondContact O-N 3.34Å; E85-L87 VanDerWaalsContact C-N 3.27Å; E85-L87 PolarHBondContact O-N 2.95Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L87-L89 HydrophobicContact CB-CB 3.87Å; L87-L89 HydrophobicContact CD2-CD2 4.36Å; L87-Y144 HydrophobicContact CB-CD2 4.47Å; L87-Y144 HydrophobicContact CD2-CD2 4.34Å; L87-Y144 HydrophobicContact CD2-CE2 4.17Å; L87-Y144 HydrophobicContact CG-CD2 4.44Å; L87-Y144 PolarHBondContact O-N 3.19Å; L87-W147 HydrophobicContact CD1-CD2 4.1Å; L87-W147 HydrophobicContact CD1-CG 4.1Å; L87-W147 HydrophobicContact CD1-CZ2 4.26Å; L87-W147 HydrophobicContact CD2-CD2 4.27Å; L87-W147 HydrophobicContact CD2-CE3 4.38Å; L87-W147 HydrophobicContact CD2-CH2 4.5Å; L87-W147 HydrophobicContact CD2-CZ2 4.38Å; L87-W147 HydrophobicContact CD2-CZ3 4.5Å; L87-W147 HydrophobicContact CG-CD2 3.8Å; L87-W147 HydrophobicContact CG-CE3 4.32Å; L87-W147 HydrophobicContact CG-CG 3.88Å; L87-W147 HydrophobicContact CG-CZ2 4.49Å |
| 88 | G | 95.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | 31.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A84 E85 N86 L139 E140 | A84-G88 PolarHBondContact O-N 2.91Å; E85-G88 WeakPolarHBondContact O-CA 3.27Å; E85-G88 PolarHBondContact O-N 2.98Å; N86-G88 PolarHBondContact O-N 3.37Å; G88-L139 CarbonylContact O-C 3.44Å; G88-L139 WeakPolarHBondContact O-CA 3.5Å; G88-E140 PolarHBondContact O-N 3.4Å |
| 89 | L | 98.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.7 | -171.6 | 176.3 | 61.9 | 0 | 0 | 0 | 111.7 | L75 H78 V79 A84 L87 L137 I138 L139 | L75-L89 HydrophobicContact CB-CD1 4.1Å; L75-L89 HydrophobicContact CB-CD2 4.41Å; L75-L89 HydrophobicContact CD2-CD1 4.32Å; L75-L89 HydrophobicContact CD2-CD2 4.24Å; L75-L89 WeakPolarHBondContact O-CD2 3.46Å; H78-L89 HydrophobicContact CB-CD2 3.79Å; V79-L89 HydrophobicContact CG2-CG 4.36Å; A84-L89 PolarHBondContact O-N 3.29Å; L87-L89 VanDerWaalsContact C-N 3.31Å; L87-L89 HydrophobicContact CB-CB 3.87Å; L87-L89 HydrophobicContact CD2-CD2 4.36Å; L89-L137 HydrophobicContact CD1-CB 4.19Å; L89-L137 HydrophobicContact CD1-CD2 4.06Å; L89-I138 VanDerWaalsContact CA-O 3.26Å; L89-I138 WeakPolarHBondContact CA-O 3.4Å; L89-I138 VanDerWaalsContact CD1-O 3.3Å; L89-I138 WeakPolarHBondContact CD1-O 3.4Å; L89-L139 HydrophobicContact CB-CD1 4.26Å; L89-L139 HydrophobicContact CD1-CD1 4.4Å |
| 90 | F | 97.8 | Very high | 95.7 | Very high | 58 Ų | 58 | 52.9 Ų | 52.9 | 25% | 0.254 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 161.2 | 176.5 | 59 | -84 | 0 | 0 | 0 | 112.1 | I92 L137 I138 T233 | F90-I92 HydrophobicContact CE2-CB 4.41Å; F90-L137 CarbonylContact O-C 3.5Å; F90-L137 WeakPolarHBondContact O-CA 3.48Å; F90-I138 HydrophobicContact CD1-CB 3.97Å; F90-I138 HydrophobicContact CD1-CG2 4.16Å; F90-I138 HydrophobicContact CD2-CB 4.24Å; F90-I138 HydrophobicContact CD2-CG1 4.3Å; F90-I138 HydrophobicContact CE1-CB 3.49Å; F90-I138 VanDerWaalsContact CE1-CB 3.49Å; F90-I138 HydrophobicContact CE1-CG1 4.08Å; F90-I138 HydrophobicContact CE1-CG2 3.36Å; F90-I138 HydrophobicContact CE2-CB 3.81Å; F90-I138 HydrophobicContact CE2-CG1 3.57Å; F90-I138 HydrophobicContact CE2-CG2 4.42Å; F90-I138 HydrophobicContact CG-CB 4.32Å; F90-I138 HydrophobicContact CZ-CB 3.43Å; F90-I138 VanDerWaalsContact CZ-CB 3.43Å; F90-I138 HydrophobicContact CZ-CG1 3.45Å; F90-I138 VanDerWaalsContact CZ-CG1 3.45Å; F90-I138 HydrophobicContact CZ-CG2 3.54Å; F90-I138 PolarHBondContact N-O 3.15Å; F90-I138 VanDerWaalsContact N-O 3.17Å; F90-I138 PolarHBondContact O-N 3.34Å; F90-T233 HydrophobicContact CD1-CG2 3.89Å; F90-T233 HydrophobicContact CE1-CG2 3.45Å; F90-T233 VanDerWaalsContact CE1-CG2 3.45Å; F90-T233 HydrophobicContact CZ-CG2 4.35Å |
| 91 | L | 98.3 | Very high | 95.9 | Very high | 70 Ų | 70 | 48.8 Ų | 48.8 | 37% | 0.366 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 138 | 174.4 | -69.7 | 168.8 | 0 | 0 | 0 | 111.2 | L76 V79 L112 T135 S136 L137 | L76-L91 HydrophobicContact CD1-CD2 4.24Å; V79-L91 HydrophobicContact CG2-CG 4.08Å; L91-L112 HydrophobicContact CD2-CD1 3.9Å; L91-T135 HydrophobicContact CB-CG2 4.15Å; L91-T135 HydrophobicContact CD2-CG2 4.06Å; L91-S136 WeakPolarHBondContact CA-O 3.39Å; L91-L137 HydrophobicContact CD2-CD2 3.56Å; L91-L137 HydrophobicContact CD2-CG 4.31Å; L91-L137 HydrophobicContact CG-CD2 4.23Å |
| 92 | I | 98.6 | Very high | 96 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 4% | 0.041 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 136.4 | 173.9 | -167.1 | 165.7 | 0 | 0 | 0 | 110.6 | L51 F90 T135 S136 I138 F213 P231 | L51-I92 HydrophobicContact CD1-CG2 3.9Å; F90-I92 HydrophobicContact CE2-CB 4.41Å; I92-T135 CarbonylContact O-C 3.53Å; I92-T135 WeakPolarHBondContact O-CA 3.36Å; I92-S136 PolarHBondContact N-O 3.38Å; I92-S136 PolarHBondContact O-N 2.81Å; I92-I138 HydrophobicContact CB-CD1 4.48Å; I92-I138 HydrophobicContact CB-CG1 3.92Å; I92-I138 HydrophobicContact CD1-CD1 4.07Å; I92-I138 HydrophobicContact CD1-CG1 3.93Å; I92-I138 HydrophobicContact CG2-CD1 3.75Å; I92-I138 HydrophobicContact CG2-CG1 3.58Å; I92-F213 HydrophobicContact CD1-CB 4.4Å; I92-F213 HydrophobicContact CG1-CD1 4.2Å; I92-F213 HydrophobicContact CG2-CD1 3.86Å; I92-F213 HydrophobicContact CG2-CE1 4.39Å; I92-P231 HydrophobicContact CD1-CB 3.91Å; I92-P231 HydrophobicContact CD1-CG 3.99Å |
| 93 | S | 98.8 | Very high | 96.2 | Very high | 30 Ų | 30 | 47.9 Ų | 47.9 | 21% | 0.21 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 158.2 | 173.2 | -58 | 0 | 0 | 0 | 0 | 110.7 | H134 T135 H212 F213 | S93-H134 WeakPolarHBondContact CA-O 3.3Å; S93-T135 PolarHBondContact OG-OG1 3.39Å; S93-H212 CarbonylContact O-C 3.56Å; S93-H212 WeakPolarHBondContact O-CA 3.42Å; S93-H212 WeakPolarHBondContact O-CB 3.43Å; S93-H212 PolarHBondContact O-CD2 3.22Å; S93-F213 VanDerWaalsContact C-CE1 3.4Å; S93-F213 WeakPolarHBondContact O-CD1 3.32Å; S93-F213 PolarHBondContact O-N 2.58Å; S93-F213 VanDerWaalsContact O-N 3.08Å |
| 94 | G | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175 | -171.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | F133 H134 F213 | G94-F133 WeakPolarHBondContact O-CA 3.36Å; G94-F133 WeakPolarHBondContact O-CD2 3.47Å; G94-H134 PolarHBondContact N-O 3.05Å; G94-H134 PolarHBondContact O-N 3.39Å; G94-F213 CarbonylContact C-O 3.56Å; G94-F213 VanDerWaalsContact CA-CE1 3.41Å; G94-F213 WeakPolarHBondContact CA-O 3.47Å; G94-F213 WeakPolarHBondContact O-CZ 3.14Å |
| 95 | Y | 98.9 | Very high | 96.7 | Very high | 25 Ų | 25 | 47.2 Ų | 47.2 | 10% | 0.098 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.1 | -163.4 | -50.4 | -89.1 | 0 | 0 | 0 | 110.5 | L117 M124 F125 W132 F133 H212 F213 I214 L215 | Y95-L117 HydrophobicContact CD1-CD1 4.19Å; Y95-L117 HydrophobicContact CD1-CD2 3.73Å; Y95-L117 HydrophobicContact CE1-CD2 4.23Å; Y95-M124 HydrophobicContact CE1-CE 3.77Å; Y95-F125 AromaticContact CD1-CE2 3.72Å; Y95-F125 HydrophobicContact CD1-CE2 3.72Å; Y95-F125 HydrophobicContact CD1-CZ 4.15Å; Y95-F125 HydrophobicContact CD2-CE2 4.17Å; Y95-F125 AromaticContact CD2-CZ 3.73Å; Y95-F125 HydrophobicContact CD2-CZ 3.73Å; Y95-F125 HydrophobicContact CE1-CE2 4.15Å; Y95-F125 HydrophobicContact CE1-CZ 4.5Å; Y95-F125 HydrophobicContact CE2-CZ 4.1Å; Y95-F125 AromaticContact CG-CE2 3.75Å; Y95-F125 HydrophobicContact CG-CE2 3.75Å; Y95-F125 AromaticContact CG-CZ 3.77Å; Y95-F125 HydrophobicContact CG-CZ 3.77Å; Y95-W132 WeakPolarHBondContact CA-O 3.46Å; Y95-F133 HydrophobicContact CD1-CD2 4.01Å; Y95-F133 AromaticContact CE1-CD2 3.66Å; Y95-F133 HydrophobicContact CE1-CD2 3.66Å; Y95-F133 HydrophobicContact CE1-CE2 4.11Å; Y95-H212 HydrophobicContact CD2-CB 4.11Å; Y95-H212 HydrophobicContact CE2-CB 3.67Å; Y95-H212 AromaticContact CE2-CG 3.77Å; Y95-F213 VanDerWaalsContact N-CE2 3.26Å; Y95-F213 PolarHBondContact N-O 2.96Å; Y95-I214 HydrophobicContact CD2-CG1 4.19Å; Y95-L215 PolarHBondContact O-N 3.46Å |
| 96 | N | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 128.6 | 159.9 | -70.6 | -91 | 0 | 0 | 0 | 108 | Q53 F98 G131 W132 H134 L215 H217 | Q53-N96 PolarHBondContact NE2-ND2 2.96Å; Q53-N96 VanDerWaalsContact NE2-ND2 3.17Å; Q53-N96 PolarHBondContact NE2-OD1 3.31Å; Q53-N96 PolarHBondContact OE1-OD1 3.45Å; N96-F98 HydrophobicContact CB-CE2 3.85Å; N96-F98 HydrophobicContact CB-CZ 4.05Å; N96-G131 CarbonylContact O-C 3.5Å; N96-G131 WeakPolarHBondContact O-CA 3.32Å; N96-W132 HydrophobicContact CB-CB 4.41Å; N96-W132 HydrophobicContact CB-CE3 3.93Å; N96-W132 PolarHBondContact N-O 3.46Å; N96-W132 PolarHBondContact O-N 2.89Å; N96-H134 PolarHBondContact ND2-NE2 2.78Å; N96-L215 CarbonylContact C-O 3.5Å; N96-L215 WeakPolarHBondContact CA-O 3.4Å; N96-H217 PolarHBondContact OD1-NE2 2.98Å |
| 97 | L | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.9 | -169.8 | -60.4 | 171.7 | 0 | 0 | 0 | 111.3 | L117 F125 Y128 I214 L215 T216 H217 L266 | L97-L117 HydrophobicContact CD2-CD1 3.57Å; L97-F125 HydrophobicContact CD1-CB 3.84Å; L97-F125 HydrophobicContact CD1-CD1 3.62Å; L97-F125 HydrophobicContact CD1-CD2 3.87Å; L97-F125 HydrophobicContact CD1-CE1 4.09Å; L97-F125 HydrophobicContact CD1-CE2 4.3Å; L97-F125 HydrophobicContact CD1-CG 3.49Å; L97-F125 VanDerWaalsContact CD1-CG 3.49Å; L97-F125 HydrophobicContact CD1-CZ 4.4Å; L97-F125 HydrophobicContact CD2-CB 4.2Å; L97-F125 HydrophobicContact CD2-CD2 3.53Å; L97-F125 HydrophobicContact CD2-CE2 4.04Å; L97-F125 HydrophobicContact CD2-CG 3.93Å; L97-F125 HydrophobicContact CG-CD2 4.34Å; L97-F125 HydrophobicContact CG-CG 4.38Å; L97-Y128 HydrophobicContact CB-CD1 3.64Å; L97-Y128 HydrophobicContact CB-CD2 4.11Å; L97-Y128 HydrophobicContact CB-CE1 4.11Å; L97-Y128 HydrophobicContact CB-CG 3.66Å; L97-Y128 HydrophobicContact CD1-CD2 4Å; L97-Y128 HydrophobicContact CD1-CE2 4.28Å; L97-Y128 HydrophobicContact CD1-CG 4.36Å; L97-Y128 HydrophobicContact CG-CG 4.46Å; L97-I214 HydrophobicContact CD1-CG2 3.61Å; L97-L215 PolarHBondContact N-O 3.48Å; L97-T216 HydrophobicContact CB-CG2 4.17Å; L97-T216 HydrophobicContact CD1-CG2 4Å; L97-H217 PolarHBondContact O-N 2.74Å; L97-L266 HydrophobicContact CD1-CD1 4.05Å |
| 98 | F | 97.9 | Very high | 97.4 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 1% | 0.013 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 148.6 | -176.1 | -53.1 | -85.3 | 0 | 0 | 0 | 110.1 | L56 N96 E100 I102 G129 Y130 W132 H217 | L56-F98 HydrophobicContact CD1-CE1 3.62Å; L56-F98 HydrophobicContact CD1-CZ 4.13Å; L56-F98 HydrophobicContact CD2-CZ 4.21Å; N96-F98 HydrophobicContact CB-CE2 3.85Å; N96-F98 HydrophobicContact CB-CZ 4.05Å; F98-E100 VanDerWaalsContact C-N 3.33Å; F98-E100 WeakPolarHBondContact CB-O 3.26Å; F98-I102 HydrophobicContact CD1-CD1 3.48Å; F98-I102 VanDerWaalsContact CD1-CD1 3.48Å; F98-I102 HydrophobicContact CD1-CG1 4Å; F98-I102 HydrophobicContact CD2-CD1 4.04Å; F98-I102 HydrophobicContact CD2-CG1 4.08Å; F98-I102 HydrophobicContact CE1-CD1 3.19Å; F98-I102 HydrophobicContact CE1-CG1 4.16Å; F98-I102 HydrophobicContact CE2-CD1 3.8Å; F98-I102 HydrophobicContact CE2-CG1 4.24Å; F98-I102 HydrophobicContact CG-CD1 3.92Å; F98-I102 HydrophobicContact CG-CG1 3.98Å; F98-I102 HydrophobicContact CZ-CD1 3.39Å; F98-I102 HydrophobicContact CZ-CG1 4.3Å; F98-G129 PolarHBondContact O-N 3.41Å; F98-Y130 HydrophobicContact CB-CD1 4.43Å; F98-Y130 HydrophobicContact CD2-CD1 4Å; F98-Y130 PolarHBondContact N-O 3.15Å; F98-Y130 PolarHBondContact O-N 3.48Å; F98-Y130 VanDerWaalsContact O-O 3.1Å; F98-W132 AromaticContact CE2-CD2 3.82Å; F98-W132 HydrophobicContact CE2-CD2 3.82Å; F98-W132 AromaticContact CE2-CE2 3.93Å; F98-W132 AromaticContact CE2-CE3 3.85Å; F98-W132 HydrophobicContact CE2-CE3 3.85Å; F98-W132 HydrophobicContact CE2-CG 4.45Å; F98-W132 HydrophobicContact CE2-CH2 4.1Å; F98-W132 HydrophobicContact CE2-CZ2 4.06Å; F98-W132 HydrophobicContact CE2-CZ3 4.01Å; F98-W132 HydrophobicContact CZ-CD2 4.35Å; F98-W132 AromaticContact CZ-CE3 3.96Å; F98-W132 HydrophobicContact CZ-CE3 3.96Å; F98-W132 AromaticContact CZ-CH2 3.77Å; F98-W132 HydrophobicContact CZ-CH2 3.77Å; F98-W132 HydrophobicContact CZ-CZ2 4.17Å; F98-W132 AromaticContact CZ-CZ3 3.67Å; F98-W132 HydrophobicContact CZ-CZ3 3.67Å; F98-H217 HydrophobicContact CD1-CB 3.63Å; F98-H217 HydrophobicContact CE1-CB 3.42Å; F98-H217 VanDerWaalsContact CE1-CB 3.42Å; F98-H217 AromaticContact CE1-CD2 3.29Å; F98-H217 WeakPolarHBondContact CE1-CD2 3.4Å; F98-H217 AromaticContact CE1-CG 3.45Å; F98-H217 VanDerWaalsContact CE1-CG 3.45Å; F98-H217 HydrophobicContact CZ-CB 4.37Å; F98-H217 AromaticContact CZ-CD2 3.34Å; F98-H217 WeakPolarHBondContact CZ-CD2 3.47Å; F98-H217 AromaticContact CZ-CG 3.97Å; F98-H217 AromaticContact CZ-NE2 3.92Å |
| 99 | H | 96.8 | Very high | 97.6 | Very high | 107 Ų | 107 | 47.9 Ų | 47.9 | 50% | 0.495 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -70.7 | -32.5 | 173.8 | -66.9 | -61.3 | 0 | 0 | 0 | 112.1 | D127 Y128 | H99-D127 PolarHBondContact CE1-O 3.04Å; H99-D127 PolarHBondContact ND1-O 2.9Å; H99-Y128 AromaticContact CE1-CE1 3.89Å |
| 100 | E | 95.4 | Very high | 97.6 | Very high | 139 Ų | 139 | 48.6 Ų | 48.6 | 65% | 0.65 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -132.5 | 166.6 | -177.8 | 62.7 | -178.8 | -175.4 | 0 | 0 | 112.2 | F98 I102 Y130 | F98-E100 VanDerWaalsContact C-N 3.33Å; F98-E100 WeakPolarHBondContact CB-O 3.26Å; E100-I102 PolarHBondContact O-N 3.12Å; E100-Y130 WeakPolarHBondContact O-CB 3.36Å |
| 101 | A | 96.2 | Very high | 97.6 | Very high | 76 Ų | 76 | 46.2 Ų | 46.2 | 63% | 0.628 | 26% | 0.258 | S | S | * | . | trans | -67.9 | 132.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111 | Y130 | A101-Y130 HydrophobicContact CB-CD2 4.02Å; A101-Y130 HydrophobicContact CB-CE2 4.22Å; A101-Y130 HydrophobicContact CB-CG 4.25Å | ||
| 102 | I | 95.5 | Very high | 97.6 | Very high | 37 Ų | 37 | 46 Ų | 46 | 19% | 0.19 | 26% | 0.257 | C | S | . | . | trans | -128.6 | 158.3 | 177.7 | 59.5 | 152.9 | 0 | 0 | 0 | 111.2 | F98 E100 Y130 W132 | F98-I102 HydrophobicContact CD1-CD1 3.48Å; F98-I102 VanDerWaalsContact CD1-CD1 3.48Å; F98-I102 HydrophobicContact CD1-CG1 4Å; F98-I102 HydrophobicContact CD2-CD1 4.04Å; F98-I102 HydrophobicContact CD2-CG1 4.08Å; F98-I102 HydrophobicContact CE1-CD1 3.19Å; F98-I102 HydrophobicContact CE1-CG1 4.16Å; F98-I102 HydrophobicContact CE2-CD1 3.8Å; F98-I102 HydrophobicContact CE2-CG1 4.24Å; F98-I102 HydrophobicContact CG-CD1 3.92Å; F98-I102 HydrophobicContact CG-CG1 3.98Å; F98-I102 HydrophobicContact CZ-CD1 3.39Å; F98-I102 HydrophobicContact CZ-CG1 4.3Å; E100-I102 PolarHBondContact O-N 3.12Å; I102-Y130 HydrophobicContact CG1-CD1 4.24Å; I102-Y130 HydrophobicContact CG1-CE1 4.12Å; I102-W132 HydrophobicContact CD1-CH2 3.39Å; I102-W132 HydrophobicContact CD1-CZ2 3.3Å; I102-W132 HydrophobicContact CD1-CZ3 4.44Å; I102-W132 HydrophobicContact CG1-CH2 4.25Å; I102-W132 HydrophobicContact CG1-CZ2 3.64Å | ||
| 103 | P | 96.2 | Very high | 97.6 | Very high | 115 Ų | 115 | 48.4 Ų | 48.4 | 75% | 0.747 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 148.7 | 174.7 | -22.5 | 34 | 0 | 0 | 0 | 112.5 | W132 | P103-W132 VanDerWaalsContact O-CZ2 3.23Å; P103-W132 WeakPolarHBondContact O-CZ2 3.5Å |
| 104 | D | 97.5 | Very high | 97.6 | Very high | 54 Ų | 54 | 48.8 Ų | 48.8 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 145.6 | 173.1 | -70.1 | -13.2 | 0 | 0 | 0 | 111.4 | K108 F114 K116 | D104-K108 HydrophobicContact CB-CD 3.66Å; D104-K108 IonicContact OD2-NZ 3.4Å; D104-F114 HydrophobicContact CB-CE1 4.5Å; D104-F114 HydrophobicContact CB-CZ 4.48Å; D104-K116 WeakPolarHBondContact OD1-CE 3.45Å; D104-K116 IonicContact OD1-NZ 3.06Å; D104-K116 PolarHBondContact OD1-NZ 2.98Å; D104-K116 IonicContact OD2-NZ 2.73Å; D104-K116 PolarHBondContact OD2-NZ 3.22Å |
| 105 | P | 96.7 | Very high | 97.6 | Very high | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.039 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -75.2 | 154.1 | 177.7 | 33.2 | -32.6 | 0 | 0 | 0 | 110.8 | W107 K108 F114 W132 | P105-W107 HydrophobicContact CB-CD2 3.84Å; P105-W107 VanDerWaalsContact CB-CE2 3.43Å; P105-W107 HydrophobicContact CB-CE3 4.48Å; P105-W107 HydrophobicContact CB-CG 4.16Å; P105-W107 HydrophobicContact CB-CH2 4.42Å; P105-W107 HydrophobicContact CB-CZ2 3.77Å; P105-W107 HydrophobicContact CG-CD2 3.86Å; P105-W107 HydrophobicContact CG-CE3 3.99Å; P105-W107 HydrophobicContact CG-CH2 3.87Å; P105-W107 HydrophobicContact CG-CZ2 3.73Å; P105-W107 HydrophobicContact CG-CZ3 3.99Å; P105-W107 PolarHBondContact O-N 2.72Å; P105-K108 HydrophobicContact CG-CB 4.13Å; P105-K108 VanDerWaalsContact O-CB 3.32Å; P105-K108 WeakPolarHBondContact O-CB 3.36Å; P105-K108 PolarHBondContact O-N 2.71Å; P105-K108 VanDerWaalsContact O-N 3.13Å; P105-F114 HydrophobicContact CG-CE2 3.9Å; P105-F114 HydrophobicContact CG-CZ 4.26Å; P105-W132 HydrophobicContact CB-CH2 4.04Å; P105-W132 HydrophobicContact CB-CZ3 4.02Å; P105-W132 VanDerWaalsContact CD-CH2 3.47Å; P105-W132 HydrophobicContact CG-CE3 4.01Å; P105-W132 HydrophobicContact CG-CH2 3.84Å; P105-W132 HydrophobicContact CG-CZ2 4.42Å; P105-W132 HydrophobicContact CG-CZ3 3.59Å |
| 106 | S | 96.1 | Very high | 97.6 | Very high | 64 Ų | 64 | 56.1 Ų | 56.1 | 45% | 0.448 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -60.9 | -27.6 | 176.3 | 47.2 | 0 | 0 | 0 | 0 | 113.9 | D58 K108 | D58-S106 WeakPolarHBondContact OD1-CB 3.36Å; D58-S106 PolarHBondContact OD1-OG 3.34Å; S106-K108 VanDerWaalsContact C-N 3.31Å; S106-K108 PolarHBondContact O-N 2.93Å |
| 107 | W | 97.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 57 Ų | 57 | 3% | 0.03 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -86.1 | 7.5 | 178.8 | 51.2 | -98.9 | 0 | 0 | 0 | 114.3 | Q53 P54 Y55 L56 P105 D109 T110 V111 W132 H134 | Q53-W107 HydrophobicContact CG-CH2 3.9Å; Q53-W107 HydrophobicContact CG-CZ2 3.75Å; Q53-W107 HydrophobicContact CG-CZ3 4.47Å; P54-W107 HydrophobicContact CB-CG 4.22Å; P54-W107 HydrophobicContact CG-CB 3.93Å; P54-W107 HydrophobicContact CG-CG 3.8Å; Y55-W107 PolarHBondContact O-NE1 3.46Å; L56-W107 HydrophobicContact CD2-CZ2 4.19Å; P105-W107 HydrophobicContact CB-CD2 3.84Å; P105-W107 VanDerWaalsContact CB-CE2 3.43Å; P105-W107 HydrophobicContact CB-CE3 4.48Å; P105-W107 HydrophobicContact CB-CG 4.16Å; P105-W107 HydrophobicContact CB-CH2 4.42Å; P105-W107 HydrophobicContact CB-CZ2 3.77Å; P105-W107 HydrophobicContact CG-CD2 3.86Å; P105-W107 HydrophobicContact CG-CE3 3.99Å; P105-W107 HydrophobicContact CG-CH2 3.87Å; P105-W107 HydrophobicContact CG-CZ2 3.73Å; P105-W107 HydrophobicContact CG-CZ3 3.99Å; P105-W107 PolarHBondContact O-N 2.72Å; W107-D109 PolarHBondContact O-N 2.67Å; W107-D109 VanDerWaalsContact O-N 3.15Å; W107-T110 WeakPolarHBondContact O-CB 3.36Å; W107-T110 PolarHBondContact O-N 3.39Å; W107-V111 HydrophobicContact CE3-CG1 3.85Å; W107-V111 HydrophobicContact CE3-CG2 4.08Å; W107-V111 HydrophobicContact CZ3-CG1 4.12Å; W107-V111 HydrophobicContact CZ3-CG2 4.11Å; W107-V111 PolarHBondContact O-N 2.79Å; W107-W132 HydrophobicContact CH2-CE3 4.19Å; W107-W132 HydrophobicContact CH2-CZ3 4.21Å; W107-W132 HydrophobicContact CZ2-CZ3 4.14Å; W107-H134 AromaticContact CH2-NE2 3.69Å; W107-H134 AromaticContact CZ3-CD2 3.72Å; W107-H134 AromaticContact CZ3-NE2 3.55Å |
| 108 | K | 98.2 | Very high | 97.6 | Very high | 68 Ų | 68 | 60 Ų | 60 | 30% | 0.296 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -55.2 | -34.1 | -177.5 | 74.5 | -173.2 | -169.1 | 179.2 | 0 | 113.6 | D104 P105 S106 V111 F114 | D104-K108 HydrophobicContact CB-CD 3.66Å; D104-K108 IonicContact OD2-NZ 3.4Å; P105-K108 HydrophobicContact CG-CB 4.13Å; P105-K108 VanDerWaalsContact O-CB 3.32Å; P105-K108 WeakPolarHBondContact O-CB 3.36Å; P105-K108 PolarHBondContact O-N 2.71Å; P105-K108 VanDerWaalsContact O-N 3.13Å; S106-K108 VanDerWaalsContact C-N 3.31Å; S106-K108 PolarHBondContact O-N 2.93Å; K108-V111 WeakPolarHBondContact O-CG2 3.49Å; K108-F114 HydrophobicContact CB-CB 4.44Å; K108-F114 HydrophobicContact CB-CD1 3.81Å; K108-F114 HydrophobicContact CB-CD2 3.91Å; K108-F114 HydrophobicContact CB-CE1 3.94Å; K108-F114 HydrophobicContact CB-CE2 4.04Å; K108-F114 HydrophobicContact CB-CG 3.79Å; K108-F114 HydrophobicContact CB-CZ 4.06Å; K108-F114 WeakPolarHBondContact O-CB 3.5Å |
| 109 | D | 97.9 | Very high | 97.6 | Very high | 134 Ų | 134 | 64.6 Ų | 64.6 | 72% | 0.717 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -92.7 | -8.6 | -177.4 | -60.7 | -48.7 | 0 | 0 | 0 | 112.1 | W107 | W107-D109 PolarHBondContact O-N 2.67Å; W107-D109 VanDerWaalsContact O-N 3.15Å |
| 110 | T | 98.3 | Very high | 97.7 | Very high | 18 Ų | 18 | 69.5 Ų | 69.5 | 11% | 0.11 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -44.5 | 171 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | W52 Q69 F72 W107 | W52-T110 HydrophobicContact CH2-CG2 3.33Å; W52-T110 HydrophobicContact CZ2-CG2 3.91Å; W52-T110 HydrophobicContact CZ3-CG2 3.97Å; Q69-T110 VanDerWaalsContact OE1-CB 3.24Å; Q69-T110 VanDerWaalsContact OE1-CG2 3.22Å; Q69-T110 PolarHBondContact OE1-OG1 3.29Å; F72-T110 HydrophobicContact CB-CG2 3.56Å; F72-T110 HydrophobicContact CD1-CG2 3.94Å; F72-T110 VanDerWaalsContact CD1-O 3.27Å; F72-T110 WeakPolarHBondContact CD1-O 3.12Å; F72-T110 HydrophobicContact CD2-CG2 4.23Å; F72-T110 WeakPolarHBondContact CE1-O 3.28Å; F72-T110 HydrophobicContact CG-CG2 3.64Å; W107-T110 WeakPolarHBondContact O-CB 3.36Å; W107-T110 PolarHBondContact O-N 3.39Å |
| 111 | V | 98.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 63.9 Ų | 63.9 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -75.7 | 163.1 | 179 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | W52 W107 K108 F114 H134 | W52-V111 HydrophobicContact CE3-CG1 4.07Å; W52-V111 HydrophobicContact CZ3-CG1 3.64Å; W107-V111 HydrophobicContact CE3-CG1 3.85Å; W107-V111 HydrophobicContact CE3-CG2 4.08Å; W107-V111 HydrophobicContact CZ3-CG1 4.12Å; W107-V111 HydrophobicContact CZ3-CG2 4.11Å; W107-V111 PolarHBondContact O-N 2.79Å; K108-V111 WeakPolarHBondContact O-CG2 3.49Å; V111-F114 HydrophobicContact CG2-CB 4.04Å; V111-F114 HydrophobicContact CG2-CD2 4.26Å; V111-H134 HydrophobicContact CB-CB 4.18Å; V111-H134 HydrophobicContact CG2-CB 3.66Å |
| 112 | L | 98.7 | Very high | 97.9 | Very high | 66 Ų | 66 | 61.9 Ų | 61.9 | 35% | 0.346 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.5 | -176.6 | -54.6 | 177.4 | 0 | 0 | 0 | 110.8 | F72 L76 L91 F114 T135 | F72-L112 HydrophobicContact CE1-CD2 4.3Å; F72-L112 HydrophobicContact CE1-CG 4.35Å; F72-L112 HydrophobicContact CZ-CG 4.12Å; L76-L112 HydrophobicContact CD1-CD1 4.12Å; L76-L112 HydrophobicContact CD2-CD2 4.44Å; L91-L112 HydrophobicContact CD2-CD1 3.9Å; L112-F114 PolarHBondContact O-N 2.97Å; L112-T135 PolarHBondContact N-O 2.93Å; L112-T135 PolarHBondContact O-N 2.82Å |
| 113 | G | 98.4 | Very high | 98.1 | Very high | 59 Ų | 59 | 66 Ų | 66 | 61% | 0.608 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 66.1 | 34.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R115 | G113-R115 PolarHBondContact O-N 3.43Å |
| 114 | F | 98.8 | Very high | 98.1 | Very high | 37 Ų | 37 | 65.1 Ų | 65.1 | 16% | 0.162 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 132.2 | 175.8 | -178.6 | -87.1 | 0 | 0 | 0 | 112 | D104 P105 K108 V111 L112 W132 F133 H134 | D104-F114 HydrophobicContact CB-CE1 4.5Å; D104-F114 HydrophobicContact CB-CZ 4.48Å; P105-F114 HydrophobicContact CG-CE2 3.9Å; P105-F114 HydrophobicContact CG-CZ 4.26Å; K108-F114 HydrophobicContact CB-CB 4.44Å; K108-F114 HydrophobicContact CB-CD1 3.81Å; K108-F114 HydrophobicContact CB-CD2 3.91Å; K108-F114 HydrophobicContact CB-CE1 3.94Å; K108-F114 HydrophobicContact CB-CE2 4.04Å; K108-F114 HydrophobicContact CB-CG 3.79Å; K108-F114 HydrophobicContact CB-CZ 4.06Å; K108-F114 WeakPolarHBondContact O-CB 3.5Å; V111-F114 HydrophobicContact CG2-CB 4.04Å; V111-F114 HydrophobicContact CG2-CD2 4.26Å; L112-F114 PolarHBondContact O-N 2.97Å; F114-W132 HydrophobicContact CD2-CB 4.38Å; F114-W132 HydrophobicContact CE2-CB 3.63Å; F114-W132 AromaticContact CE2-CD2 3.71Å; F114-W132 HydrophobicContact CE2-CD2 3.71Å; F114-W132 AromaticContact CE2-CE3 4Å; F114-W132 HydrophobicContact CE2-CE3 4Å; F114-W132 AromaticContact CE2-CG 3.54Å; F114-W132 HydrophobicContact CE2-CG 3.54Å; F114-W132 HydrophobicContact CZ-CB 3.96Å; F114-W132 AromaticContact CZ-CD1 3.57Å; F114-W132 AromaticContact CZ-CD2 3.75Å; F114-W132 HydrophobicContact CZ-CD2 3.75Å; F114-W132 HydrophobicContact CZ-CE3 4.41Å; F114-W132 AromaticContact CZ-CG 3.49Å; F114-W132 HydrophobicContact CZ-CG 3.49Å; F114-W132 VanDerWaalsContact CZ-CG 3.49Å; F114-W132 AromaticContact CZ-NE1 3.86Å; F114-F133 CarbonylContact C-O 3.57Å; F114-F133 WeakPolarHBondContact CA-O 3.36Å; F114-H134 HydrophobicContact CB-CB 4.41Å; F114-H134 HydrophobicContact CD2-CB 4.41Å |
| 115 | R | 98.8 | Very high | 98.2 | Very high | 93 Ų | 93 | 63.1 Ų | 63.1 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 167.3 | 173.3 | 59.4 | 177.2 | 179.2 | 77.7 | 2.2 | 111 | G113 E121 W132 F133 | G113-R115 PolarHBondContact O-N 3.43Å; R115-E121 IonicContact CZ-OE1 3.31Å; R115-E121 VanDerWaalsContact CZ-OE1 3.31Å; R115-E121 IonicContact CZ-OE2 3.7Å; R115-E121 VanDerWaalsContact NH1-CD 3.3Å; R115-E121 IonicContact NH1-OE1 3.67Å; R115-E121 PolarHBondContact NH1-OE1 3.48Å; R115-E121 IonicContact NH1-OE2 3.55Å; R115-E121 PolarHBondContact NH1-OE2 2.93Å; R115-E121 IonicContact NH2-OE1 2.67Å; R115-E121 PolarHBondContact NH2-OE1 2.89Å; R115-E121 IonicContact NH2-OE2 3.79Å; R115-W132 CarbonylContact O-C 3.54Å; R115-W132 VanDerWaalsContact O-CA 3.29Å; R115-W132 WeakPolarHBondContact O-CA 3.45Å; R115-F133 HydrophobicContact CG-CB 4.09Å; R115-F133 PolarHBondContact N-O 3.2Å; R115-F133 PolarHBondContact O-N 3.49Å |
| 116 | K | 98.7 | Very high | 98.2 | Very high | 87 Ų | 87 | 68.4 Ų | 68.4 | 38% | 0.378 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 152.8 | 171 | -72 | 68.7 | 174.5 | 175.9 | 0 | 109.4 | D104 Y130 G131 | D104-K116 WeakPolarHBondContact OD1-CE 3.45Å; D104-K116 IonicContact OD1-NZ 3.06Å; D104-K116 PolarHBondContact OD1-NZ 2.98Å; D104-K116 IonicContact OD2-NZ 2.73Å; D104-K116 PolarHBondContact OD2-NZ 3.22Å; K116-Y130 HydrophobicContact CG-CE2 4.2Å; K116-Y130 WeakPolarHBondContact CG-OH 3.43Å; K116-G131 WeakPolarHBondContact CA-O 3.24Å |
| 117 | L | 98.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 69.6 Ų | 69.6 | 9% | 0.094 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 140.6 | 173.2 | -62.9 | -173.1 | 0 | 0 | 0 | 111 | Y95 L97 E121 L122 G131 F133 | Y95-L117 HydrophobicContact CD1-CD1 4.19Å; Y95-L117 HydrophobicContact CD1-CD2 3.73Å; Y95-L117 HydrophobicContact CE1-CD2 4.23Å; L97-L117 HydrophobicContact CD2-CD1 3.57Å; L117-E121 HydrophobicContact CB-CB 4.14Å; L117-E121 HydrophobicContact CD2-CB 4.2Å; L117-L122 HydrophobicContact CB-CD2 4.19Å; L117-L122 HydrophobicContact CB-CG 4.03Å; L117-L122 HydrophobicContact CD1-CD2 3.92Å; L117-L122 HydrophobicContact CD1-CG 4.49Å; L117-G131 PolarHBondContact N-O 3.2Å; L117-F133 HydrophobicContact CD2-CB 3.64Å |
| 118 | T | 98.6 | Very high | 98.2 | Very high | 64 Ų | 64 | 70.6 Ų | 70.6 | 39% | 0.393 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -76.6 | 160.5 | 168.8 | 63.5 | 0 | 0 | 0 | 0 | 110.3 | R120 E121 L122 | T118-R120 PolarHBondContact O-N 3.3Å; T118-E121 WeakPolarHBondContact CB-OE2 3.46Å; T118-E121 WeakPolarHBondContact CG2-OE2 3.36Å; T118-E121 PolarHBondContact N-OE2 3.35Å; T118-E121 WeakPolarHBondContact O-CB 3.25Å; T118-E121 PolarHBondContact O-N 2.84Å; T118-E121 WeakPolarHBondContact OG1-CG 3.19Å; T118-E121 PolarHBondContact OG1-N 2.62Å; T118-E121 PolarHBondContact OG1-OE2 3.1Å; T118-L122 PolarHBondContact O-N 2.81Å; T118-L122 VanDerWaalsContact O-N 3.08Å |
| 119 | P | 98.2 | Very high | 98.2 | Very high | 99 Ų | 99 | 69.7 Ų | 69.7 | 64% | 0.643 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -53.4 | -41.5 | 175.1 | -28.7 | 36.1 | 0 | 0 | 0 | 113.2 | E121 L122 D123 | P119-E121 PolarHBondContact O-N 2.87Å; P119-L122 PolarHBondContact O-N 2.91Å; P119-L122 VanDerWaalsContact O-N 3.12Å; P119-D123 VanDerWaalsContact O-CG 3.29Å; P119-D123 PolarHBondContact O-N 3.06Å |
| 120 | R | 98.4 | Very high | 98.2 | Very high | 209 Ų | 209 | 65.5 Ų | 65.5 | 79% | 0.789 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.8 | -27.5 | 177.1 | -71.6 | 179.7 | 62.2 | -162.9 | -2.4 | 113.9 | T118 | T118-R120 PolarHBondContact O-N 3.3Å |
| 121 | E | 98.6 | Very high | 98.2 | Very high | 22 Ų | 22 | 64.7 Ų | 64.7 | 10% | 0.103 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -81.2 | -35.4 | 175.1 | -70.6 | 167.9 | 116.1 | 0 | 0 | 111.7 | R115 L117 T118 P119 D123 M124 F125 | R115-E121 IonicContact CZ-OE1 3.31Å; R115-E121 VanDerWaalsContact CZ-OE1 3.31Å; R115-E121 IonicContact CZ-OE2 3.7Å; R115-E121 VanDerWaalsContact NH1-CD 3.3Å; R115-E121 IonicContact NH1-OE1 3.67Å; R115-E121 PolarHBondContact NH1-OE1 3.48Å; R115-E121 IonicContact NH1-OE2 3.55Å; R115-E121 PolarHBondContact NH1-OE2 2.93Å; R115-E121 IonicContact NH2-OE1 2.67Å; R115-E121 PolarHBondContact NH2-OE1 2.89Å; R115-E121 IonicContact NH2-OE2 3.79Å; L117-E121 HydrophobicContact CB-CB 4.14Å; L117-E121 HydrophobicContact CD2-CB 4.2Å; T118-E121 WeakPolarHBondContact CB-OE2 3.46Å; T118-E121 WeakPolarHBondContact CG2-OE2 3.36Å; T118-E121 PolarHBondContact N-OE2 3.35Å; T118-E121 WeakPolarHBondContact O-CB 3.25Å; T118-E121 PolarHBondContact O-N 2.84Å; T118-E121 WeakPolarHBondContact OG1-CG 3.19Å; T118-E121 PolarHBondContact OG1-N 2.62Å; T118-E121 PolarHBondContact OG1-OE2 3.1Å; P119-E121 PolarHBondContact O-N 2.87Å; E121-D123 VanDerWaalsContact C-N 3.3Å; E121-M124 HydrophobicContact CB-CE 4.05Å; E121-M124 HydrophobicContact CG-CE 4.18Å; E121-M124 WeakPolarHBondContact O-CB 3.22Å; E121-M124 PolarHBondContact O-N 2.77Å; E121-F125 WeakPolarHBondContact O-CD2 3.41Å |
| 122 | L | 98.4 | Very high | 98.2 | Very high | 34 Ų | 34 | 64.4 Ų | 64.4 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.5 | -31.5 | 173.1 | -70.4 | 169.6 | 0 | 0 | 0 | 112.1 | L117 T118 P119 M124 F125 | L117-L122 HydrophobicContact CB-CD2 4.19Å; L117-L122 HydrophobicContact CB-CG 4.03Å; L117-L122 HydrophobicContact CD1-CD2 3.92Å; L117-L122 HydrophobicContact CD1-CG 4.49Å; T118-L122 PolarHBondContact O-N 2.81Å; T118-L122 VanDerWaalsContact O-N 3.08Å; P119-L122 PolarHBondContact O-N 2.91Å; P119-L122 VanDerWaalsContact O-N 3.12Å; L122-M124 PolarHBondContact O-N 3.24Å; L122-F125 CarbonylContact O-C 3.56Å; L122-F125 WeakPolarHBondContact O-CA 3.39Å; L122-F125 PolarHBondContact O-N 3.21Å |
| 123 | D | 97.9 | Very high | 98.2 | Very high | 124 Ų | 124 | 62.7 Ų | 62.7 | 66% | 0.663 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -22.1 | 173.1 | -67.8 | -26.9 | 0 | 0 | 0 | 112.8 | P119 E121 F125 | P119-D123 VanDerWaalsContact O-CG 3.29Å; P119-D123 PolarHBondContact O-N 3.06Å; E121-D123 VanDerWaalsContact C-N 3.3Å; D123-F125 VanDerWaalsContact C-N 3.28Å |
| 124 | M | 97.8 | Very high | 98.2 | Very high | 95 Ų | 95 | 59.9 Ų | 59.9 | 47% | 0.468 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -17.1 | 174.2 | -55.2 | -170.4 | -67.8 | 0 | 0 | 113 | Y95 E121 L122 | Y95-M124 HydrophobicContact CE1-CE 3.77Å; E121-M124 HydrophobicContact CB-CE 4.05Å; E121-M124 HydrophobicContact CG-CE 4.18Å; E121-M124 WeakPolarHBondContact O-CB 3.22Å; E121-M124 PolarHBondContact O-N 2.77Å; L122-M124 PolarHBondContact O-N 3.24Å |
| 125 | F | 98.1 | Very high | 98.2 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 5% | 0.053 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -132.4 | 72.7 | -174 | -49.1 | -69.5 | 0 | 0 | 0 | 111.2 | Y95 L97 E121 L122 D123 D127 Y128 I214 L266 | Y95-F125 AromaticContact CD1-CE2 3.72Å; Y95-F125 HydrophobicContact CD1-CE2 3.72Å; Y95-F125 HydrophobicContact CD1-CZ 4.15Å; Y95-F125 HydrophobicContact CD2-CE2 4.17Å; Y95-F125 AromaticContact CD2-CZ 3.73Å; Y95-F125 HydrophobicContact CD2-CZ 3.73Å; Y95-F125 HydrophobicContact CE1-CE2 4.15Å; Y95-F125 HydrophobicContact CE1-CZ 4.5Å; Y95-F125 HydrophobicContact CE2-CZ 4.1Å; Y95-F125 AromaticContact CG-CE2 3.75Å; Y95-F125 HydrophobicContact CG-CE2 3.75Å; Y95-F125 AromaticContact CG-CZ 3.77Å; Y95-F125 HydrophobicContact CG-CZ 3.77Å; L97-F125 HydrophobicContact CD1-CB 3.84Å; L97-F125 HydrophobicContact CD1-CD1 3.62Å; L97-F125 HydrophobicContact CD1-CD2 3.87Å; L97-F125 HydrophobicContact CD1-CE1 4.09Å; L97-F125 HydrophobicContact CD1-CE2 4.3Å; L97-F125 HydrophobicContact CD1-CG 3.49Å; L97-F125 VanDerWaalsContact CD1-CG 3.49Å; L97-F125 HydrophobicContact CD1-CZ 4.4Å; L97-F125 HydrophobicContact CD2-CB 4.2Å; L97-F125 HydrophobicContact CD2-CD2 3.53Å; L97-F125 HydrophobicContact CD2-CE2 4.04Å; L97-F125 HydrophobicContact CD2-CG 3.93Å; L97-F125 HydrophobicContact CG-CD2 4.34Å; L97-F125 HydrophobicContact CG-CG 4.38Å; E121-F125 WeakPolarHBondContact O-CD2 3.41Å; L122-F125 CarbonylContact O-C 3.56Å; L122-F125 WeakPolarHBondContact O-CA 3.39Å; L122-F125 PolarHBondContact O-N 3.21Å; D123-F125 VanDerWaalsContact C-N 3.28Å; F125-D127 PolarHBondContact O-N 3.17Å; F125-Y128 HydrophobicContact CB-CD2 3.95Å; F125-Y128 PolarHBondContact O-N 3.07Å; F125-I214 HydrophobicContact CE1-CD1 4.03Å; F125-I214 HydrophobicContact CE1-CG1 4.39Å; F125-I214 HydrophobicContact CE1-CG2 3.99Å; F125-I214 HydrophobicContact CZ-CG2 4.44Å; F125-L266 HydrophobicContact CD1-CD1 4.17Å |
| 126 | P | 96.3 | Very high | 98.2 | Very high | 118 Ų | 118 | 55 Ų | 55 | 77% | 0.766 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -21.5 | -166.4 | -26.9 | 35.6 | 0 | 0 | 0 | 116.5 | Y128 | P126-Y128 VanDerWaalsContact C-N 3.29Å; P126-Y128 PolarHBondContact O-N 3.03Å |
| 127 | D | 96.6 | Very high | 98.2 | Very high | 89 Ų | 89 | 50.9 Ų | 50.9 | 48% | 0.476 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -6.3 | -180 | -66.9 | -19.9 | 0 | 0 | 0 | 113.2 | H99 F125 | H99-D127 PolarHBondContact CE1-O 3.04Å; H99-D127 PolarHBondContact ND1-O 2.9Å; F125-D127 PolarHBondContact O-N 3.17Å |
| 128 | Y | 98 | Very high | 98.2 | Very high | 28 Ų | 28 | 50 Ų | 50 | 11% | 0.11 | 27% | 0.269 | C | S | . | . | trans | -121.2 | 136.5 | -170.5 | -59.8 | -84.5 | 0 | 0 | 0 | 112.4 | L97 H99 F125 P126 T216 L266 | L97-Y128 HydrophobicContact CB-CD1 3.64Å; L97-Y128 HydrophobicContact CB-CD2 4.11Å; L97-Y128 HydrophobicContact CB-CE1 4.11Å; L97-Y128 HydrophobicContact CB-CG 3.66Å; L97-Y128 HydrophobicContact CD1-CD2 4Å; L97-Y128 HydrophobicContact CD1-CE2 4.28Å; L97-Y128 HydrophobicContact CD1-CG 4.36Å; L97-Y128 HydrophobicContact CG-CG 4.46Å; H99-Y128 AromaticContact CE1-CE1 3.89Å; F125-Y128 HydrophobicContact CB-CD2 3.95Å; F125-Y128 PolarHBondContact O-N 3.07Å; P126-Y128 VanDerWaalsContact C-N 3.29Å; P126-Y128 PolarHBondContact O-N 3.03Å; Y128-T216 HydrophobicContact CE1-CG2 3.82Å; Y128-T216 HydrophobicContact CE2-CG2 3.73Å; Y128-T216 WeakPolarHBondContact OH-CB 3.32Å; Y128-T216 WeakPolarHBondContact OH-CG2 3.33Å; Y128-T216 PolarHBondContact OH-OG1 3.07Å; Y128-L266 HydrophobicContact CE2-CD1 3.85Å | ||
| 129 | G | 97.5 | Very high | 98.2 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 51% | 0.505 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -101.3 | -10.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F98 | F98-G129 PolarHBondContact O-N 3.41Š|
| 130 | Y | 98.3 | Very high | 98.2 | Very high | 46 Ų | 46 | 43.4 Ų | 43.4 | 18% | 0.18 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 159.2 | -176.5 | -171.8 | -102.7 | 0 | 0 | 0 | 111.3 | F98 E100 A101 I102 K116 W132 | F98-Y130 HydrophobicContact CB-CD1 4.43Å; F98-Y130 HydrophobicContact CD2-CD1 4Å; F98-Y130 PolarHBondContact N-O 3.15Å; F98-Y130 PolarHBondContact O-N 3.48Å; F98-Y130 VanDerWaalsContact O-O 3.1Å; E100-Y130 WeakPolarHBondContact O-CB 3.36Å; A101-Y130 HydrophobicContact CB-CD2 4.02Å; A101-Y130 HydrophobicContact CB-CE2 4.22Å; A101-Y130 HydrophobicContact CB-CG 4.25Å; I102-Y130 HydrophobicContact CG1-CD1 4.24Å; I102-Y130 HydrophobicContact CG1-CE1 4.12Å; K116-Y130 HydrophobicContact CG-CE2 4.2Å; K116-Y130 WeakPolarHBondContact CG-OH 3.43Å; Y130-W132 AromaticContact CE1-CD1 3.98Å; Y130-W132 AromaticContact CE1-NE1 3.42Å; Y130-W132 AromaticContact CZ-NE1 3.99Å |
| 131 | G | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176.1 | 171.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | N96 K116 L117 | N96-G131 CarbonylContact O-C 3.5Å; N96-G131 WeakPolarHBondContact O-CA 3.32Å; K116-G131 WeakPolarHBondContact CA-O 3.24Å; L117-G131 PolarHBondContact N-O 3.2Å |
| 132 | W | 98.8 | Very high | 98.1 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 147.2 | 172.4 | -48.5 | -40.6 | 0 | 0 | 0 | 111.3 | L56 Y95 N96 F98 I102 P103 P105 W107 F114 R115 Y130 | L56-W132 HydrophobicContact CD2-CH2 4.06Å; L56-W132 HydrophobicContact CD2-CZ3 3.61Å; Y95-W132 WeakPolarHBondContact CA-O 3.46Å; N96-W132 HydrophobicContact CB-CB 4.41Å; N96-W132 HydrophobicContact CB-CE3 3.93Å; N96-W132 PolarHBondContact N-O 3.46Å; N96-W132 PolarHBondContact O-N 2.89Å; F98-W132 AromaticContact CE2-CD2 3.82Å; F98-W132 HydrophobicContact CE2-CD2 3.82Å; F98-W132 AromaticContact CE2-CE2 3.93Å; F98-W132 AromaticContact CE2-CE3 3.85Å; F98-W132 HydrophobicContact CE2-CE3 3.85Å; F98-W132 HydrophobicContact CE2-CG 4.45Å; F98-W132 HydrophobicContact CE2-CH2 4.1Å; F98-W132 HydrophobicContact CE2-CZ2 4.06Å; F98-W132 HydrophobicContact CE2-CZ3 4.01Å; F98-W132 HydrophobicContact CZ-CD2 4.35Å; F98-W132 AromaticContact CZ-CE3 3.96Å; F98-W132 HydrophobicContact CZ-CE3 3.96Å; F98-W132 AromaticContact CZ-CH2 3.77Å; F98-W132 HydrophobicContact CZ-CH2 3.77Å; F98-W132 HydrophobicContact CZ-CZ2 4.17Å; F98-W132 AromaticContact CZ-CZ3 3.67Å; F98-W132 HydrophobicContact CZ-CZ3 3.67Å; I102-W132 HydrophobicContact CD1-CH2 3.39Å; I102-W132 HydrophobicContact CD1-CZ2 3.3Å; I102-W132 HydrophobicContact CD1-CZ3 4.44Å; I102-W132 HydrophobicContact CG1-CH2 4.25Å; I102-W132 HydrophobicContact CG1-CZ2 3.64Å; P103-W132 VanDerWaalsContact O-CZ2 3.23Å; P103-W132 WeakPolarHBondContact O-CZ2 3.5Å; P105-W132 HydrophobicContact CB-CH2 4.04Å; P105-W132 HydrophobicContact CB-CZ3 4.02Å; P105-W132 VanDerWaalsContact CD-CH2 3.47Å; P105-W132 HydrophobicContact CG-CE3 4.01Å; P105-W132 HydrophobicContact CG-CH2 3.84Å; P105-W132 HydrophobicContact CG-CZ2 4.42Å; P105-W132 HydrophobicContact CG-CZ3 3.59Å; W107-W132 HydrophobicContact CH2-CE3 4.19Å; W107-W132 HydrophobicContact CH2-CZ3 4.21Å; W107-W132 HydrophobicContact CZ2-CZ3 4.14Å; F114-W132 HydrophobicContact CD2-CB 4.38Å; F114-W132 HydrophobicContact CE2-CB 3.63Å; F114-W132 AromaticContact CE2-CD2 3.71Å; F114-W132 HydrophobicContact CE2-CD2 3.71Å; F114-W132 AromaticContact CE2-CE3 4Å; F114-W132 HydrophobicContact CE2-CE3 4Å; F114-W132 AromaticContact CE2-CG 3.54Å; F114-W132 HydrophobicContact CE2-CG 3.54Å; F114-W132 HydrophobicContact CZ-CB 3.96Å; F114-W132 AromaticContact CZ-CD1 3.57Å; F114-W132 AromaticContact CZ-CD2 3.75Å; F114-W132 HydrophobicContact CZ-CD2 3.75Å; F114-W132 HydrophobicContact CZ-CE3 4.41Å; F114-W132 AromaticContact CZ-CG 3.49Å; F114-W132 HydrophobicContact CZ-CG 3.49Å; F114-W132 VanDerWaalsContact CZ-CG 3.49Å; F114-W132 AromaticContact CZ-NE1 3.86Å; R115-W132 CarbonylContact O-C 3.54Å; R115-W132 VanDerWaalsContact O-CA 3.29Å; R115-W132 WeakPolarHBondContact O-CA 3.45Å; Y130-W132 AromaticContact CE1-CD1 3.98Å; Y130-W132 AromaticContact CE1-NE1 3.42Å; Y130-W132 AromaticContact CZ-NE1 3.99Å |
| 133 | F | 98.9 | Very high | 98.1 | Very high | 30 Ų | 30 | 37.5 Ų | 37.5 | 13% | 0.132 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 138.3 | 166.2 | -177.8 | -88.2 | 0 | 0 | 0 | 109.3 | G94 Y95 F114 R115 L117 | G94-F133 WeakPolarHBondContact O-CA 3.36Å; G94-F133 WeakPolarHBondContact O-CD2 3.47Å; Y95-F133 HydrophobicContact CD1-CD2 4.01Å; Y95-F133 AromaticContact CE1-CD2 3.66Å; Y95-F133 HydrophobicContact CE1-CD2 3.66Å; Y95-F133 HydrophobicContact CE1-CE2 4.11Å; F114-F133 CarbonylContact C-O 3.57Å; F114-F133 WeakPolarHBondContact CA-O 3.36Å; R115-F133 HydrophobicContact CG-CB 4.09Å; R115-F133 PolarHBondContact N-O 3.2Å; R115-F133 PolarHBondContact O-N 3.49Å; L117-F133 HydrophobicContact CD2-CB 3.64Å |
| 134 | H | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 164.5 | 169 | 63 | 75.2 | 0 | 0 | 0 | 111 | S93 G94 N96 W107 V111 F114 F213 | S93-H134 WeakPolarHBondContact CA-O 3.3Å; G94-H134 PolarHBondContact N-O 3.05Å; G94-H134 PolarHBondContact O-N 3.39Å; N96-H134 PolarHBondContact ND2-NE2 2.78Å; W107-H134 AromaticContact CH2-NE2 3.69Å; W107-H134 AromaticContact CZ3-CD2 3.72Å; W107-H134 AromaticContact CZ3-NE2 3.55Å; V111-H134 HydrophobicContact CB-CB 4.18Å; V111-H134 HydrophobicContact CG2-CB 3.66Å; F114-H134 HydrophobicContact CB-CB 4.41Å; F114-H134 HydrophobicContact CD2-CB 4.41Å; H134-F213 AromaticContact CE1-CE1 3.8Å; H134-F213 AromaticContact CE1-CE2 3.95Å; H134-F213 AromaticContact CE1-CZ 3.14Å; H134-F213 WeakPolarHBondContact CE1-CZ 2.97Å; H134-F213 AromaticContact ND1-CE1 3.99Å; H134-F213 AromaticContact ND1-CZ 3.53Å; H134-F213 AromaticContact NE2-CZ 3.6Å |
| 135 | T | 98.9 | Very high | 98.1 | Very high | 29 Ų | 29 | 27.1 Ų | 27.1 | 18% | 0.178 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 129.6 | 165.2 | -55.6 | 0 | 0 | 0 | 0 | 109.2 | L91 I92 S93 L112 | L91-T135 HydrophobicContact CB-CG2 4.15Å; L91-T135 HydrophobicContact CD2-CG2 4.06Å; I92-T135 CarbonylContact O-C 3.53Å; I92-T135 WeakPolarHBondContact O-CA 3.36Å; S93-T135 PolarHBondContact OG-OG1 3.39Å; L112-T135 PolarHBondContact N-O 2.93Å; L112-T135 PolarHBondContact O-N 2.82Å |
| 136 | S | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | -162.7 | 176.1 | -164.7 | 0 | 0 | 0 | 0 | 109.9 | W52 L91 I92 | W52-S136 PolarHBondContact O-OG 2.92Å; L91-S136 WeakPolarHBondContact CA-O 3.39Å; I92-S136 PolarHBondContact N-O 3.38Å; I92-S136 PolarHBondContact O-N 2.81Å |
| 137 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 139.9 | 179.6 | -63.7 | 159.7 | 0 | 0 | 0 | 109.7 | W52 F72 L75 L76 V79 L89 F90 L91 | W52-L137 HydrophobicContact CB-CB 4.18Å; W52-L137 WeakPolarHBondContact CB-O 3.38Å; W52-L137 PolarHBondContact N-O 2.78Å; F72-L137 HydrophobicContact CD2-CD1 3.83Å; F72-L137 HydrophobicContact CE2-CD1 3.73Å; F72-L137 HydrophobicContact CE2-CG 4.05Å; F72-L137 HydrophobicContact CG-CD1 4.4Å; F72-L137 HydrophobicContact CZ-CD1 4.18Å; F72-L137 HydrophobicContact CZ-CG 4.47Å; L75-L137 HydrophobicContact CB-CD1 3.65Å; L76-L137 HydrophobicContact CB-CD1 4.4Å; V79-L137 HydrophobicContact CB-CD2 4.23Å; V79-L137 HydrophobicContact CG2-CD2 3.86Å; L89-L137 HydrophobicContact CD1-CB 4.19Å; L89-L137 HydrophobicContact CD1-CD2 4.06Å; F90-L137 CarbonylContact O-C 3.5Å; F90-L137 WeakPolarHBondContact O-CA 3.48Å; L91-L137 HydrophobicContact CD2-CD2 3.56Å; L91-L137 HydrophobicContact CD2-CG 4.31Å; L91-L137 HydrophobicContact CG-CD2 4.23Å |
| 138 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 138.2 | 156.4 | -65.6 | -57.6 | 0 | 0 | 0 | 107.8 | G50 L51 L89 F90 I92 E140 I230 | G50-I138 CarbonylContact O-C 3.58Å; G50-I138 WeakPolarHBondContact O-CA 3.43Å; L51-I138 HydrophobicContact CB-CD1 4.24Å; L51-I138 HydrophobicContact CD1-CD1 4.11Å; L89-I138 VanDerWaalsContact CA-O 3.26Å; L89-I138 WeakPolarHBondContact CA-O 3.4Å; L89-I138 VanDerWaalsContact CD1-O 3.3Å; L89-I138 WeakPolarHBondContact CD1-O 3.4Å; F90-I138 HydrophobicContact CD1-CB 3.97Å; F90-I138 HydrophobicContact CD1-CG2 4.16Å; F90-I138 HydrophobicContact CD2-CB 4.24Å; F90-I138 HydrophobicContact CD2-CG1 4.3Å; F90-I138 HydrophobicContact CE1-CB 3.49Å; F90-I138 VanDerWaalsContact CE1-CB 3.49Å; F90-I138 HydrophobicContact CE1-CG1 4.08Å; F90-I138 HydrophobicContact CE1-CG2 3.36Å; F90-I138 HydrophobicContact CE2-CB 3.81Å; F90-I138 HydrophobicContact CE2-CG1 3.57Å; F90-I138 HydrophobicContact CE2-CG2 4.42Å; F90-I138 HydrophobicContact CG-CB 4.32Å; F90-I138 HydrophobicContact CZ-CB 3.43Å; F90-I138 VanDerWaalsContact CZ-CB 3.43Å; F90-I138 HydrophobicContact CZ-CG1 3.45Å; F90-I138 VanDerWaalsContact CZ-CG1 3.45Å; F90-I138 HydrophobicContact CZ-CG2 3.54Å; F90-I138 PolarHBondContact N-O 3.15Å; F90-I138 VanDerWaalsContact N-O 3.17Å; F90-I138 PolarHBondContact O-N 3.34Å; I92-I138 HydrophobicContact CB-CD1 4.48Å; I92-I138 HydrophobicContact CB-CG1 3.92Å; I92-I138 HydrophobicContact CD1-CD1 4.07Å; I92-I138 HydrophobicContact CD1-CG1 3.93Å; I92-I138 HydrophobicContact CG2-CD1 3.75Å; I92-I138 HydrophobicContact CG2-CG1 3.58Å; I138-E140 HydrophobicContact CG2-CG 3.79Å; I138-I230 HydrophobicContact CD1-CG2 3.64Å |
| 139 | L | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 100.5 | 166.4 | -177.5 | 65.5 | 0 | 0 | 0 | 108.1 | G50 L75 G88 L89 G141 Y144 L316 | G50-L139 VanDerWaalsContact CA-O 3.32Å; G50-L139 WeakPolarHBondContact CA-O 3.39Å; G50-L139 PolarHBondContact O-N 3.45Å; L75-L139 HydrophobicContact CD1-CD2 3.93Å; L75-L139 HydrophobicContact CD2-CD1 4.08Å; L75-L139 HydrophobicContact CD2-CD2 3.92Å; G88-L139 CarbonylContact O-C 3.44Å; G88-L139 WeakPolarHBondContact O-CA 3.5Å; L89-L139 HydrophobicContact CB-CD1 4.26Å; L89-L139 HydrophobicContact CD1-CD1 4.4Å; L139-G141 PolarHBondContact O-N 3.47Å; L139-Y144 HydrophobicContact CD1-CD1 4.02Å; L139-Y144 HydrophobicContact CD1-CD2 3.87Å; L139-Y144 HydrophobicContact CD1-CE1 4.48Å; L139-Y144 HydrophobicContact CD1-CE2 4.39Å; L139-Y144 HydrophobicContact CD1-CG 3.67Å; L139-Y144 HydrophobicContact CD2-CD1 3.66Å; L139-Y144 HydrophobicContact CD2-CE1 3.78Å; L139-Y144 HydrophobicContact CD2-CG 4.21Å; L139-Y144 HydrophobicContact CG-CD1 3.98Å; L139-Y144 HydrophobicContact CG-CG 4.07Å; L139-L316 HydrophobicContact CD2-CD2 3.99Å; L139-L316 HydrophobicContact CG-CD2 4.33Å; L139-L316 WeakPolarHBondContact O-CD1 3.4Å |
| 140 | E | 98 | Very high | 98.2 | Very high | 22 Ų | 22 | 25.6 Ų | 25.6 | 10% | 0.103 | 12% | 0.122 | C | C | . | . | trans | -72.4 | 112 | -179.2 | -64.6 | -170.2 | 129.4 | 0 | 0 | 110.8 | G88 I138 K142 N143 Y144 G232 T233 | G88-E140 PolarHBondContact O-N 3.4Å; I138-E140 HydrophobicContact CG2-CG 3.79Å; E140-K142 VanDerWaalsContact C-N 3.29Å; E140-K142 PolarHBondContact O-N 3.39Å; E140-N143 HydrophobicContact CB-CB 4.39Å; E140-N143 PolarHBondContact O-N 3.23Å; E140-N143 VanDerWaalsContact O-N 3.15Å; E140-Y144 WeakPolarHBondContact O-CB 2.95Å; E140-Y144 PolarHBondContact O-N 2.9Å; E140-G232 WeakPolarHBondContact OE1-CA 3.37Å; E140-T233 VanDerWaalsContact CD-OG1 3.24Å; E140-T233 PolarHBondContact OE1-N 3.31Å; E140-T233 PolarHBondContact OE1-OG1 2.96Å; E140-T233 WeakPolarHBondContact OE2-CB 3.16Å; E140-T233 WeakPolarHBondContact OE2-CG2 3.35Å; E140-T233 PolarHBondContact OE2-OG1 3.35Å | ||
| 141 | G | 98.1 | Very high | 98.1 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -53.4 | -42.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L139 Y144 L145 | L139-G141 PolarHBondContact O-N 3.47Å; G141-Y144 PolarHBondContact O-N 2.74Å; G141-L145 WeakPolarHBondContact O-CB 3.49Å; G141-L145 VanDerWaalsContact O-CG 3.24Å; G141-L145 WeakPolarHBondContact O-CG 3.01Å; G141-L145 PolarHBondContact O-N 3.41Å |
| 142 | K | 97.1 | Very high | 98.1 | Very high | 102 Ų | 102 | 25.8 Ų | 25.8 | 44% | 0.443 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -59.2 | -50.8 | 178.9 | -176.2 | -178 | 174.9 | -172.9 | 0 | 112.5 | T40 D46 E140 Q146 | T40-K142 HydrophobicContact CG2-CG 3.94Å; D46-K142 WeakPolarHBondContact OD1-CA 3.42Å; E140-K142 VanDerWaalsContact C-N 3.29Å; E140-K142 PolarHBondContact O-N 3.39Å; K142-Q146 WeakPolarHBondContact O-CG 3.3Å; K142-Q146 PolarHBondContact O-N 2.79Å |
| 143 | N | 97.6 | Very high | 98.1 | Very high | 36 Ų | 36 | 29.4 Ų | 29.4 | 19% | 0.193 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.6 | -43.5 | -178.9 | -61.3 | 36.3 | 0 | 0 | 0 | 110.2 | E140 L145 Q146 W147 | E140-N143 HydrophobicContact CB-CB 4.39Å; E140-N143 PolarHBondContact O-N 3.23Å; E140-N143 VanDerWaalsContact O-N 3.15Å; N143-L145 PolarHBondContact O-N 3.48Å; N143-Q146 WeakPolarHBondContact O-CB 3.46Å; N143-Q146 PolarHBondContact O-N 2.97Å; N143-W147 PolarHBondContact O-N 2.84Å |
| 144 | Y | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.7 | -38.1 | -178.8 | -171.5 | -134.4 | 0 | 0 | 0 | 112.8 | V10 L87 L139 E140 G141 W147 L148 H319 | V10-Y144 HydrophobicContact CG2-CD1 3.86Å; V10-Y144 HydrophobicContact CG2-CE1 3.72Å; L87-Y144 HydrophobicContact CB-CD2 4.47Å; L87-Y144 HydrophobicContact CD2-CD2 4.34Å; L87-Y144 HydrophobicContact CD2-CE2 4.17Å; L87-Y144 HydrophobicContact CG-CD2 4.44Å; L87-Y144 PolarHBondContact O-N 3.19Å; L139-Y144 HydrophobicContact CD1-CD1 4.02Å; L139-Y144 HydrophobicContact CD1-CD2 3.87Å; L139-Y144 HydrophobicContact CD1-CE1 4.48Å; L139-Y144 HydrophobicContact CD1-CE2 4.39Å; L139-Y144 HydrophobicContact CD1-CG 3.67Å; L139-Y144 HydrophobicContact CD2-CD1 3.66Å; L139-Y144 HydrophobicContact CD2-CE1 3.78Å; L139-Y144 HydrophobicContact CD2-CG 4.21Å; L139-Y144 HydrophobicContact CG-CD1 3.98Å; L139-Y144 HydrophobicContact CG-CG 4.07Å; E140-Y144 WeakPolarHBondContact O-CB 2.95Å; E140-Y144 PolarHBondContact O-N 2.9Å; G141-Y144 PolarHBondContact O-N 2.74Å; Y144-W147 HydrophobicContact CD2-CE3 4.21Å; Y144-W147 AromaticContact CE2-CE3 3.89Å; Y144-W147 HydrophobicContact CE2-CE3 3.89Å; Y144-W147 HydrophobicContact CE2-CZ3 4.13Å; Y144-W147 PolarHBondContact O-N 2.67Å; Y144-L148 HydrophobicContact CD1-CD1 3.91Å; Y144-L148 HydrophobicContact CD2-CD1 4.48Å; Y144-L148 HydrophobicContact CD2-CG 4.25Å; Y144-L148 HydrophobicContact CE1-CD1 3.66Å; Y144-L148 HydrophobicContact CE1-CG 4.31Å; Y144-L148 HydrophobicContact CE2-CD1 4.23Å; Y144-L148 HydrophobicContact CE2-CD2 4.13Å; Y144-L148 HydrophobicContact CE2-CG 3.96Å; Y144-L148 HydrophobicContact CG-CD1 4.32Å; Y144-L148 WeakPolarHBondContact O-CB 3.21Å; Y144-L148 WeakPolarHBondContact O-CG 3.31Å; Y144-L148 PolarHBondContact O-N 3.33Å; Y144-H319 AromaticContact CE1-CD2 3.93Å; Y144-H319 AromaticContact CE1-CE1 3.72Å; Y144-H319 AromaticContact CE1-NE2 3.36Å; Y144-H319 WeakPolarHBondContact CE1-NE2 3.44Å; Y144-H319 AromaticContact CZ-NE2 3.5Å; Y144-H319 PolarHBondContact OH-NE2 3.07Å |
| 145 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.4 | -38.6 | 174.2 | -70.2 | -174.7 | 0 | 0 | 0 | 112.9 | G9 V10 L13 T40 T43 T45 G141 N143 L148 T149 | G9-L145 VanDerWaalsContact C-CD2 3.48Å; V10-L145 HydrophobicContact CB-CD2 4.32Å; L13-L145 HydrophobicContact CD1-CB 4.27Å; L13-L145 HydrophobicContact CD1-CD2 3.68Å; L13-L145 HydrophobicContact CG-CD2 4.27Å; T40-L145 WeakPolarHBondContact OG1-CB 3.34Å; T40-L145 WeakPolarHBondContact OG1-CD1 3.31Å; T43-L145 HydrophobicContact CG2-CD1 4.27Å; T43-L145 WeakPolarHBondContact OG1-CD1 3.45Å; T45-L145 HydrophobicContact CG2-CD1 3.79Å; T45-L145 HydrophobicContact CG2-CD2 4.01Å; T45-L145 HydrophobicContact CG2-CG 3.79Å; G141-L145 WeakPolarHBondContact O-CB 3.49Å; G141-L145 VanDerWaalsContact O-CG 3.24Å; G141-L145 WeakPolarHBondContact O-CG 3.01Å; G141-L145 PolarHBondContact O-N 3.41Å; N143-L145 PolarHBondContact O-N 3.48Å; L145-L148 PolarHBondContact O-N 2.61Å; L145-T149 WeakPolarHBondContact O-CB 3.34Å; L145-T149 PolarHBondContact O-N 2.83Å; L145-T149 PolarHBondContact O-OG1 2.89Å |
| 146 | Q | 97.7 | Very high | 97.9 | Very high | 93 Ų | 93 | 38.9 Ų | 38.9 | 44% | 0.435 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.5 | -50.1 | 173.8 | -69.5 | 177.5 | -34 | 0 | 0 | 110.2 | T40 K142 N143 L148 T149 E150 | T40-Q146 HydrophobicContact CG2-CG 3.99Å; K142-Q146 WeakPolarHBondContact O-CG 3.3Å; K142-Q146 PolarHBondContact O-N 2.79Å; N143-Q146 WeakPolarHBondContact O-CB 3.46Å; N143-Q146 PolarHBondContact O-N 2.97Å; Q146-L148 PolarHBondContact O-N 2.85Å; Q146-T149 PolarHBondContact O-N 3.35Å; Q146-E150 WeakPolarHBondContact O-CG 3.48Å; Q146-E150 PolarHBondContact O-N 2.85Å |
| 147 | W | 97.1 | Very high | 97.9 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.8 | -46.4 | 177.9 | -176.2 | 89.5 | 0 | 0 | 0 | 112.8 | L17 L87 N143 Y144 T149 E150 R151 | L17-W147 HydrophobicContact CD2-CZ3 4.16Å; L87-W147 HydrophobicContact CD1-CD2 4.1Å; L87-W147 HydrophobicContact CD1-CG 4.1Å; L87-W147 HydrophobicContact CD1-CZ2 4.26Å; L87-W147 HydrophobicContact CD2-CD2 4.27Å; L87-W147 HydrophobicContact CD2-CE3 4.38Å; L87-W147 HydrophobicContact CD2-CH2 4.5Å; L87-W147 HydrophobicContact CD2-CZ2 4.38Å; L87-W147 HydrophobicContact CD2-CZ3 4.5Å; L87-W147 HydrophobicContact CG-CD2 3.8Å; L87-W147 HydrophobicContact CG-CE3 4.32Å; L87-W147 HydrophobicContact CG-CG 3.88Å; L87-W147 HydrophobicContact CG-CZ2 4.49Å; N143-W147 PolarHBondContact O-N 2.84Å; Y144-W147 HydrophobicContact CD2-CE3 4.21Å; Y144-W147 AromaticContact CE2-CE3 3.89Å; Y144-W147 HydrophobicContact CE2-CE3 3.89Å; Y144-W147 HydrophobicContact CE2-CZ3 4.13Å; Y144-W147 PolarHBondContact O-N 2.67Å; W147-T149 VanDerWaalsContact C-N 3.33Å; W147-T149 PolarHBondContact O-N 3.05Å; W147-E150 PolarHBondContact O-N 3.42Å; W147-R151 HydrophobicContact CD2-CG 3.87Å; W147-R151 HydrophobicContact CE3-CG 4.03Å; W147-R151 HydrophobicContact CH2-CG 3.85Å; W147-R151 HydrophobicContact CZ2-CG 3.67Å; W147-R151 HydrophobicContact CZ3-CG 4.02Å; W147-R151 VanDerWaalsContact O-CG 3.3Å; W147-R151 WeakPolarHBondContact O-CG 3.23Å; W147-R151 PolarHBondContact O-N 2.73Å |
| 148 | L | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.7 | -41.4 | 177.4 | -74.2 | 171.9 | 0 | 0 | 0 | 111.7 | L13 L17 Y144 L145 Q146 R151 L152 | L13-L148 HydrophobicContact CB-CB 3.87Å; L13-L148 HydrophobicContact CB-CD1 3.79Å; L13-L148 HydrophobicContact CB-CG 4.42Å; L13-L148 HydrophobicContact CD1-CB 4.05Å; L17-L148 HydrophobicContact CD2-CD2 3.56Å; Y144-L148 HydrophobicContact CD1-CD1 3.91Å; Y144-L148 HydrophobicContact CD2-CD1 4.48Å; Y144-L148 HydrophobicContact CD2-CG 4.25Å; Y144-L148 HydrophobicContact CE1-CD1 3.66Å; Y144-L148 HydrophobicContact CE1-CG 4.31Å; Y144-L148 HydrophobicContact CE2-CD1 4.23Å; Y144-L148 HydrophobicContact CE2-CD2 4.13Å; Y144-L148 HydrophobicContact CE2-CG 3.96Å; Y144-L148 HydrophobicContact CG-CD1 4.32Å; Y144-L148 WeakPolarHBondContact O-CB 3.21Å; Y144-L148 WeakPolarHBondContact O-CG 3.31Å; Y144-L148 PolarHBondContact O-N 3.33Å; L145-L148 PolarHBondContact O-N 2.61Å; Q146-L148 PolarHBondContact O-N 2.85Å; L148-R151 PolarHBondContact O-N 2.66Å; L148-L152 VanDerWaalsContact O-CB 3.3Å; L148-L152 WeakPolarHBondContact O-CB 3.23Å; L148-L152 WeakPolarHBondContact O-CD1 3.34Å; L148-L152 VanDerWaalsContact O-CG 3.24Å; L148-L152 WeakPolarHBondContact O-CG 3.08Å; L148-L152 PolarHBondContact O-N 2.78Å |
| 149 | T | 98.4 | Very high | 97.9 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 23% | 0.233 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 178.2 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | L13 L145 Q146 W147 L152 T153 F159 | L13-T149 WeakPolarHBondContact CD1-OG1 3.38Å; L145-T149 WeakPolarHBondContact O-CB 3.34Å; L145-T149 PolarHBondContact O-N 2.83Å; L145-T149 PolarHBondContact O-OG1 2.89Å; Q146-T149 PolarHBondContact O-N 3.35Å; W147-T149 VanDerWaalsContact C-N 3.33Å; W147-T149 PolarHBondContact O-N 3.05Å; T149-L152 PolarHBondContact O-N 3.15Å; T149-T153 WeakPolarHBondContact O-CB 3.31Å; T149-T153 PolarHBondContact O-N 3.13Å; T149-T153 PolarHBondContact O-OG1 3.09Å; T149-F159 HydrophobicContact CG2-CD2 4.46Å; T149-F159 HydrophobicContact CG2-CE1 4.15Å; T149-F159 HydrophobicContact CG2-CE2 4Å; T149-F159 HydrophobicContact CG2-CZ 3.82Å |
| 150 | E | 97.3 | Very high | 97.9 | Very high | 108 Ų | 108 | 51.2 Ų | 51.2 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.4 | -50.6 | 175.2 | -72.4 | 173.4 | -175 | 0 | 0 | 111.4 | Q146 W147 L152 T153 E154 | Q146-E150 WeakPolarHBondContact O-CG 3.48Å; Q146-E150 PolarHBondContact O-N 2.85Å; W147-E150 PolarHBondContact O-N 3.42Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 2.94Å; E150-T153 PolarHBondContact O-N 3.28Å; E150-T153 VanDerWaalsContact O-N 3.12Å; E150-E154 WeakPolarHBondContact O-CG 3.45Å; E150-E154 PolarHBondContact O-N 3.46Å |
| 151 | R | 96.4 | Very high | 98 | Very high | 50 Ų | 50 | 56.8 Ų | 56.8 | 19% | 0.189 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.9 | -37.3 | 178.7 | -68.9 | -66 | 94 | 106.5 | 2.5 | 113 | L17 W147 L148 E154 R155 | L17-R151 HydrophobicContact CD1-CB 4.39Å; W147-R151 HydrophobicContact CD2-CG 3.87Å; W147-R151 HydrophobicContact CE3-CG 4.03Å; W147-R151 HydrophobicContact CH2-CG 3.85Å; W147-R151 HydrophobicContact CZ2-CG 3.67Å; W147-R151 HydrophobicContact CZ3-CG 4.02Å; W147-R151 VanDerWaalsContact O-CG 3.3Å; W147-R151 WeakPolarHBondContact O-CG 3.23Å; W147-R151 PolarHBondContact O-N 2.73Å; L148-R151 PolarHBondContact O-N 2.66Å; R151-E154 IonicContact CZ-OE1 3.77Å; R151-E154 IonicContact CZ-OE2 2.96Å; R151-E154 VanDerWaalsContact CZ-OE2 3.32Å; R151-E154 IonicContact NE-OE1 3.13Å; R151-E154 IonicContact NE-OE2 3.64Å; R151-E154 PolarHBondContact NE-OE2 2.94Å; R151-E154 IonicContact NH2-OE1 2.73Å; R151-E154 PolarHBondContact NH2-OE1 3.19Å; R151-E154 IonicContact NH2-OE2 3.35Å; R151-E154 PolarHBondContact NH2-OE2 3.37Å; R151-R155 VanDerWaalsContact O-CD 3.27Å; R151-R155 WeakPolarHBondContact O-CD 3.23Å; R151-R155 VanDerWaalsContact O-CG 3.3Å; R151-R155 WeakPolarHBondContact O-CG 3.07Å; R151-R155 PolarHBondContact O-N 3.13Å; R151-R155 PolarHBondContact O-NH1 3.5Å |
| 152 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 174.8 | -79.2 | 168.1 | 0 | 0 | 0 | 111.9 | L13 A16 L17 L148 T149 E150 R155 G156 V157 F159 | L13-L152 HydrophobicContact CB-CD1 4.16Å; L13-L152 HydrophobicContact CD2-CD1 4.05Å; A16-L152 HydrophobicContact CB-CD1 4.14Å; A16-L152 HydrophobicContact CB-CD2 3.91Å; L17-L152 HydrophobicContact CB-CD2 4.05Å; L17-L152 HydrophobicContact CB-CG 4.34Å; L17-L152 HydrophobicContact CD1-CD2 4.34Å; L148-L152 VanDerWaalsContact O-CB 3.3Å; L148-L152 WeakPolarHBondContact O-CB 3.23Å; L148-L152 WeakPolarHBondContact O-CD1 3.34Å; L148-L152 VanDerWaalsContact O-CG 3.24Å; L148-L152 WeakPolarHBondContact O-CG 3.08Å; L148-L152 PolarHBondContact O-N 2.78Å; T149-L152 PolarHBondContact O-N 3.15Å; E150-L152 VanDerWaalsContact C-N 3.28Å; E150-L152 PolarHBondContact O-N 2.94Å; L152-R155 CarbonylContact O-C 3.53Å; L152-R155 WeakPolarHBondContact O-CA 3.41Å; L152-R155 WeakPolarHBondContact O-CB 3.35Å; L152-R155 PolarHBondContact O-N 2.88Å; L152-R155 VanDerWaalsContact O-N 3.1Å; L152-G156 PolarHBondContact O-N 3.32Å; L152-V157 HydrophobicContact CB-CB 4.06Å; L152-V157 HydrophobicContact CB-CG1 4.45Å; L152-V157 HydrophobicContact CB-CG2 4.45Å; L152-V157 HydrophobicContact CD2-CB 4.09Å; L152-V157 HydrophobicContact CD2-CG1 4.19Å; L152-V157 HydrophobicContact CD2-CG2 3.74Å; L152-V157 WeakPolarHBondContact O-CB 3.3Å; L152-V157 PolarHBondContact O-N 3.39Å; L152-F159 HydrophobicContact CB-CE2 3.99Å; L152-F159 HydrophobicContact CB-CZ 3.67Å; L152-F159 HydrophobicContact CD1-CE1 4.38Å; L152-F159 HydrophobicContact CD1-CZ 3.79Å; L152-F159 HydrophobicContact CG-CZ 4.38Å |
| 153 | T | 98.4 | Very high | 98 | Very high | 79 Ų | 79 | 60.5 Ų | 60.5 | 49% | 0.485 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.7 | -44 | 178.3 | -59 | 0 | 0 | 0 | 0 | 111.3 | T149 E150 R155 G156 | T149-T153 WeakPolarHBondContact O-CB 3.31Å; T149-T153 PolarHBondContact O-N 3.13Å; T149-T153 PolarHBondContact O-OG1 3.09Å; E150-T153 PolarHBondContact O-N 3.28Å; E150-T153 VanDerWaalsContact O-N 3.12Å; T153-R155 PolarHBondContact O-N 3.43Å; T153-G156 PolarHBondContact O-N 3.42Å |
| 154 | E | 97.7 | Very high | 98 | Very high | 122 Ų | 122 | 59.6 Ų | 59.6 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -59.3 | -28.6 | 174.1 | -72.2 | 167.4 | 177.4 | 0 | 0 | 113 | E150 R151 G156 | E150-E154 WeakPolarHBondContact O-CG 3.45Å; E150-E154 PolarHBondContact O-N 3.46Å; R151-E154 IonicContact CZ-OE1 3.77Å; R151-E154 IonicContact CZ-OE2 2.96Å; R151-E154 VanDerWaalsContact CZ-OE2 3.32Å; R151-E154 IonicContact NE-OE1 3.13Å; R151-E154 IonicContact NE-OE2 3.64Å; R151-E154 PolarHBondContact NE-OE2 2.94Å; R151-E154 IonicContact NH2-OE1 2.73Å; R151-E154 PolarHBondContact NH2-OE1 3.19Å; R151-E154 IonicContact NH2-OE2 3.35Å; R151-E154 PolarHBondContact NH2-OE2 3.37Å; E154-G156 VanDerWaalsContact C-N 3.29Å |
| 155 | R | 97.6 | Very high | 98 | Very high | 82 Ų | 82 | 64.9 Ų | 64.9 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 4.4 | 176.7 | -74.3 | 166 | 179.1 | 65.2 | -5.3 | 113.1 | H20 E21 R151 L152 T153 V157 | H20-R155 PolarHBondContact NE2-O 3.26Å; E21-R155 IonicContact OE1-CZ 2.62Å; E21-R155 IonicContact OE1-NE 3.59Å; E21-R155 IonicContact OE1-NH2 3.96Å; E21-R155 PolarHBondContact OE1-NH2 3.39Å; R151-R155 VanDerWaalsContact O-CD 3.27Å; R151-R155 WeakPolarHBondContact O-CD 3.23Å; R151-R155 VanDerWaalsContact O-CG 3.3Å; R151-R155 WeakPolarHBondContact O-CG 3.07Å; R151-R155 PolarHBondContact O-N 3.13Å; R151-R155 PolarHBondContact O-NH1 3.5Å; L152-R155 CarbonylContact O-C 3.53Å; L152-R155 WeakPolarHBondContact O-CA 3.41Å; L152-R155 WeakPolarHBondContact O-CB 3.35Å; L152-R155 PolarHBondContact O-N 2.88Å; L152-R155 VanDerWaalsContact O-N 3.1Å; T153-R155 PolarHBondContact O-N 3.43Å; R155-V157 VanDerWaalsContact C-N 3.33Å |
| 156 | G | 97.5 | Very high | 97.9 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 55% | 0.546 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | 10.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | L152 T153 E154 | L152-G156 PolarHBondContact O-N 3.32Å; T153-G156 PolarHBondContact O-N 3.42Å; E154-G156 VanDerWaalsContact C-N 3.29Å |
| 157 | V | 98.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 62.6 Ų | 62.6 | 4% | 0.036 | 31% | 0.305 | C | S | . | . | trans | -70.7 | 132.3 | 173.2 | 179 | 0 | 0 | 0 | 0 | 109.3 | I32 V34 L152 R155 | I32-V157 HydrophobicContact CB-CG1 4.26Å; I32-V157 HydrophobicContact CB-CG2 4.12Å; I32-V157 HydrophobicContact CG2-CG1 4.02Å; I32-V157 HydrophobicContact CG2-CG2 4.46Å; I32-V157 WeakPolarHBondContact O-CG1 3.38Å; V34-V157 HydrophobicContact CG2-CG1 3.99Å; L152-V157 HydrophobicContact CB-CB 4.06Å; L152-V157 HydrophobicContact CB-CG1 4.45Å; L152-V157 HydrophobicContact CB-CG2 4.45Å; L152-V157 HydrophobicContact CD2-CB 4.09Å; L152-V157 HydrophobicContact CD2-CG1 4.19Å; L152-V157 HydrophobicContact CD2-CG2 3.74Å; L152-V157 WeakPolarHBondContact O-CB 3.3Å; L152-V157 PolarHBondContact O-N 3.39Å; R155-V157 VanDerWaalsContact C-N 3.33Å | ||
| 158 | K | 98.3 | Very high | 97.8 | Very high | 123 Ų | 123 | 65 Ų | 65 | 54% | 0.535 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 140.7 | -175.2 | -64.4 | 177 | -177.8 | 175.2 | 0 | 111.7 | I32 K33 V34 F160 | I32-K158 PolarHBondContact O-N 3.15Å; K33-K158 CarbonylContact C-O 3.56Å; K33-K158 VanDerWaalsContact CA-O 3.32Å; K33-K158 WeakPolarHBondContact CA-O 3.43Å; V34-K158 PolarHBondContact N-O 3.04Å; K158-F160 HydrophobicContact CB-CD2 4.49Å; K158-F160 HydrophobicContact CB-CE2 3.54Å; K158-F160 HydrophobicContact CB-CZ 3.95Å; K158-F160 HydrophobicContact CD-CZ 4.47Å |
| 159 | F | 98.8 | Very high | 97.7 | Very high | 54 Ų | 54 | 67 Ų | 67 | 24% | 0.237 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 140.3 | -177.9 | -66 | -92.3 | 0 | 0 | 0 | 111.3 | L13 V34 F39 T149 L152 | L13-F159 HydrophobicContact CD2-CE1 3.73Å; L13-F159 HydrophobicContact CD2-CZ 4.45Å; V34-F159 HydrophobicContact CB-CD1 3.6Å; V34-F159 HydrophobicContact CB-CE1 3.8Å; V34-F159 HydrophobicContact CB-CG 4.43Å; V34-F159 HydrophobicContact CG1-CD1 3.91Å; V34-F159 HydrophobicContact CG1-CE1 4.04Å; V34-F159 HydrophobicContact CG2-CD1 4.09Å; V34-F159 HydrophobicContact CG2-CE1 3.78Å; V34-F159 HydrophobicContact CG2-CZ 4.37Å; F39-F159 HydrophobicContact CE1-CB 4.43Å; F39-F159 AromaticContact CE1-CD1 3.81Å; F39-F159 HydrophobicContact CE1-CD1 3.81Å; T149-F159 HydrophobicContact CG2-CD2 4.46Å; T149-F159 HydrophobicContact CG2-CE1 4.15Å; T149-F159 HydrophobicContact CG2-CE2 4Å; T149-F159 HydrophobicContact CG2-CZ 3.82Å; L152-F159 HydrophobicContact CB-CE2 3.99Å; L152-F159 HydrophobicContact CB-CZ 3.67Å; L152-F159 HydrophobicContact CD1-CE1 4.38Å; L152-F159 HydrophobicContact CD1-CZ 3.79Å; L152-F159 HydrophobicContact CG-CZ 4.38Å |
| 160 | F | 98.7 | Very high | 97.6 | Very high | 78 Ų | 78 | 65.2 Ų | 65.2 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 124.9 | -178.8 | -57.7 | -98.5 | 0 | 0 | 0 | 110.9 | K33 V34 Y35 A36 K158 R162 | K33-F160 HydrophobicContact CB-CD2 4.25Å; K33-F160 HydrophobicContact CB-CE2 3.93Å; K33-F160 HydrophobicContact CD-CE2 3.75Å; K33-F160 HydrophobicContact CD-CZ 4.18Å; K33-F160 HydrophobicContact CG-CE2 3.82Å; V34-F160 PolarHBondContact O-N 3.18Å; Y35-F160 HydrophobicContact CD1-CB 3.67Å; Y35-F160 AromaticContact CD1-CD2 3.72Å; Y35-F160 HydrophobicContact CD1-CD2 3.72Å; Y35-F160 AromaticContact CD1-CG 3.96Å; Y35-F160 HydrophobicContact CD1-CG 3.96Å; Y35-F160 HydrophobicContact CE1-CB 3.84Å; Y35-F160 HydrophobicContact CE1-CD1 4.5Å; Y35-F160 AromaticContact CE1-CD2 3.39Å; Y35-F160 HydrophobicContact CE1-CD2 3.39Å; Y35-F160 HydrophobicContact CE1-CE2 4.04Å; Y35-F160 AromaticContact CE1-CG 3.66Å; Y35-F160 HydrophobicContact CE1-CG 3.66Å; A36-F160 PolarHBondContact N-O 3.43Å; A36-F160 VanDerWaalsContact N-O 3.17Å; K158-F160 HydrophobicContact CB-CD2 4.49Å; K158-F160 HydrophobicContact CB-CE2 3.54Å; K158-F160 HydrophobicContact CB-CZ 3.95Å; K158-F160 HydrophobicContact CD-CZ 4.47Å; F160-R162 PolarHBondContact O-N 2.97Å; F160-R162 VanDerWaalsContact O-N 3.13Å |
| 161 | Q | 98.5 | Very high | 97.6 | Very high | 139 Ų | 139 | 60.3 Ų | 60.3 | 65% | 0.65 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 101.4 | 168.9 | -174.4 | 73.9 | 25.2 | 0 | 0 | 109.1 | A36 D37 | A36-Q161 CarbonylContact O-C 3.3Å; A36-Q161 WeakPolarHBondContact O-CA 3.3Å; D37-Q161 PolarHBondContact O-NE2 2.76Å |
| 162 | R | 97.1 | Very high | 97.5 | Very high | 59 Ų | 59 | 66.1 Ų | 66.1 | 22% | 0.223 | 32% | 0.316 | C | S | . | . | trans | -153.2 | 128.7 | -173.3 | -175.4 | 174.6 | 177.2 | 162.7 | 4.1 | 112.2 | Y35 A36 D37 F160 V164 E169 E173 | Y35-R162 VanDerWaalsContact CE2-NH1 3.31Å; A36-R162 CarbonylContact C-O 3.56Å; A36-R162 PolarHBondContact O-N 3.3Å; D37-R162 PolarHBondContact N-O 3.48Å; F160-R162 PolarHBondContact O-N 2.97Å; F160-R162 VanDerWaalsContact O-N 3.13Å; R162-V164 HydrophobicContact CG-CG2 4.44Å; R162-E169 IonicContact CZ-OE1 2.84Å; R162-E169 IonicContact NE-OE1 3.14Å; R162-E169 PolarHBondContact NE-OE1 2.92Å; R162-E169 IonicContact NH2-OE1 3.56Å; R162-E169 PolarHBondContact NH2-OE1 3.04Å; R162-E173 IonicContact CZ-OE1 3.21Å; R162-E173 IonicContact CZ-OE2 2.71Å; R162-E173 IonicContact NH1-OE1 3.54Å; R162-E173 PolarHBondContact NH1-OE1 3.35Å; R162-E173 IonicContact NH1-OE2 2.86Å; R162-E173 PolarHBondContact NH1-OE2 3.2Å; R162-E173 IonicContact NH2-OE1 3.99Å; R162-E173 PolarHBondContact NH2-OE1 2.8Å; R162-E173 IonicContact NH2-OE2 3.93Å | ||
| 163 | K | 98.4 | Very high | 97.2 | Very high | 125 Ų | 125 | 70.6 Ų | 70.6 | 54% | 0.543 | 34% | 0.337 | S | S | . | . | trans | -85.8 | 115.6 | 162.3 | -172.8 | 175.3 | 176.3 | -114.5 | 0 | 108.2 | D37 E165 | D37-K163 HydrophobicContact CB-CB 4.06Å; K163-E165 WeakPolarHBondContact CD-OE1 3.3Å; K163-E165 WeakPolarHBondContact CE-OE1 3.38Å; K163-E165 VanDerWaalsContact NZ-CD 3.35Å; K163-E165 IonicContact NZ-OE1 2.75Å; K163-E165 PolarHBondContact NZ-OE1 2.98Å; K163-E165 IonicContact NZ-OE2 2.71Å; K163-E165 PolarHBondContact NZ-OE2 3.2Å; K163-E165 VanDerWaalsContact NZ-OE2 3.14Å | ||
| 164 | V | 98.4 | Very high | 97 | Very high | 16 Ų | 16 | 67.6 Ų | 67.6 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | trans | -84.1 | 127.1 | 175.7 | 176.9 | 0 | 0 | 0 | 0 | 107.9 | I6 Y35 R162 S166 E169 V170 L189 | I6-V164 HydrophobicContact CD1-CG1 4.12Å; I6-V164 HydrophobicContact CD1-CG2 4.32Å; I6-V164 HydrophobicContact CG1-CG2 4.46Å; I6-V164 HydrophobicContact CG2-CB 4.35Å; I6-V164 HydrophobicContact CG2-CG2 4.01Å; Y35-V164 HydrophobicContact CD2-CG2 4.14Å; R162-V164 HydrophobicContact CG-CG2 4.44Å; V164-S166 VanDerWaalsContact CG1-O 3.23Å; V164-S166 WeakPolarHBondContact CG1-O 3.26Å; V164-E169 HydrophobicContact CG1-CG 4.27Å; V164-V170 HydrophobicContact CG1-CG2 3.52Å; V164-V170 HydrophobicContact CG2-CG2 4.14Å; V164-L189 HydrophobicContact CB-CD2 4.31Å; V164-L189 HydrophobicContact CG1-CD2 3.88Å; V164-L189 WeakPolarHBondContact O-CD2 3.19Å | ||
| 165 | E | 98.1 | Very high | 97 | Very high | 112 Ų | 112 | 62 Ų | 62 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | trans | -96.6 | -18.4 | -179.2 | -58.5 | -67.7 | 167.9 | 0 | 0 | 112.6 | K163 E169 | K163-E165 WeakPolarHBondContact CD-OE1 3.3Å; K163-E165 WeakPolarHBondContact CE-OE1 3.38Å; K163-E165 VanDerWaalsContact NZ-CD 3.35Å; K163-E165 IonicContact NZ-OE1 2.75Å; K163-E165 PolarHBondContact NZ-OE1 2.98Å; K163-E165 IonicContact NZ-OE2 2.71Å; K163-E165 PolarHBondContact NZ-OE2 3.2Å; K163-E165 VanDerWaalsContact NZ-OE2 3.14Å; E165-E169 PolarHBondContact N-OE2 3.1Å | ||
| 166 | S | 97.3 | Very high | 96.8 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | trans | -160.2 | 159.8 | 173.4 | 65.4 | 0 | 0 | 0 | 0 | 112.4 | V164 E168 E169 | V164-S166 VanDerWaalsContact CG1-O 3.23Å; V164-S166 WeakPolarHBondContact CG1-O 3.26Å; S166-E168 PolarHBondContact O-N 2.92Å; S166-E168 PolarHBondContact OG-N 2.96Å; S166-E169 WeakPolarHBondContact O-CG 3.36Å; S166-E169 PolarHBondContact OG-N 3.16Å; S166-E169 VanDerWaalsContact OG-N 3.15Å | ||
| 167 | F | 97.1 | Very high | 96.9 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.5 | -27.4 | 167.5 | -62 | -52.3 | 0 | 0 | 0 | 112.4 | I6 V170 A171 I178 N180 L189 Q190 L296 V305 | I6-F167 HydrophobicContact CD1-CD1 4.17Å; I6-F167 HydrophobicContact CD1-CE1 4.15Å; F167-V170 PolarHBondContact O-N 3.16Å; F167-A171 WeakPolarHBondContact O-CB 3.24Å; F167-A171 PolarHBondContact O-N 3.11Å; F167-I178 HydrophobicContact CB-CD1 4.15Å; F167-I178 HydrophobicContact CD1-CD1 4.37Å; F167-I178 HydrophobicContact CD1-CG2 4.03Å; F167-I178 HydrophobicContact CE1-CG2 4.31Å; F167-I178 WeakPolarHBondContact O-CD1 3.47Å; F167-N180 HydrophobicContact CE1-CB 3.93Å; F167-N180 HydrophobicContact CZ-CB 4.05Å; F167-N180 WeakPolarHBondContact CZ-ND2 3.05Å; F167-L189 HydrophobicContact CD1-CD1 4.16Å; F167-L189 HydrophobicContact CD2-CB 4.44Å; F167-L189 HydrophobicContact CE1-CB 3.94Å; F167-L189 HydrophobicContact CE1-CD1 3.49Å; F167-L189 VanDerWaalsContact CE1-CD1 3.49Å; F167-L189 HydrophobicContact CE1-CG 4.33Å; F167-L189 HydrophobicContact CE2-CB 3.86Å; F167-L189 HydrophobicContact CZ-CB 3.55Å; F167-L189 HydrophobicContact CZ-CD1 3.89Å; F167-L189 HydrophobicContact CZ-CG 4.38Å; F167-Q190 HydrophobicContact CE2-CB 3.84Å; F167-L296 HydrophobicContact CB-CD2 3.56Å; F167-V305 HydrophobicContact CE1-CG1 4.5Å |
| 168 | E | 95.4 | Very high | 96.9 | Very high | 76 Ų | 76 | 57.6 Ų | 57.6 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | -178.1 | -173.2 | 177.2 | -151.9 | 0 | 0 | 112.6 | S166 V170 A171 R172 T298 | S166-E168 PolarHBondContact O-N 2.92Å; S166-E168 PolarHBondContact OG-N 2.96Å; E168-V170 VanDerWaalsContact C-N 3.32Å; E168-V170 PolarHBondContact O-N 3.46Å; E168-A171 PolarHBondContact O-N 3.39Å; E168-R172 HydrophobicContact CG-CG 4.4Å; E168-R172 VanDerWaalsContact CG-CZ 3.45Å; E168-R172 WeakPolarHBondContact O-CB 3.39Å; E168-R172 VanDerWaalsContact O-CG 3.28Å; E168-R172 WeakPolarHBondContact O-CG 3.38Å; E168-R172 PolarHBondContact O-N 2.86Å; E168-R172 IonicContact OE1-CZ 2.66Å; E168-R172 IonicContact OE1-NE 2.82Å; E168-R172 IonicContact OE1-NH1 3.21Å; E168-R172 IonicContact OE1-NH2 2.78Å; E168-R172 PolarHBondContact OE1-NH2 3.1Å; E168-R172 IonicContact OE2-CZ 3.65Å; E168-R172 IonicContact OE2-NH1 3.75Å; E168-R172 PolarHBondContact OE2-NH1 3.21Å; E168-R172 IonicContact OE2-NH2 2.75Å; E168-R172 PolarHBondContact OE2-NH2 3.5Å; E168-T298 HydrophobicContact CB-CG2 4.15Å; E168-T298 HydrophobicContact CG-CG2 3.78Å |
| 169 | E | 95.6 | Very high | 96.9 | Very high | 43 Ų | 43 | 51.7 Ų | 51.7 | 20% | 0.201 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62 | -41 | 174.8 | 59.2 | 164.9 | -121.6 | 0 | 0 | 112 | R162 V164 E165 S166 R172 E173 | R162-E169 IonicContact CZ-OE1 2.84Å; R162-E169 IonicContact NE-OE1 3.14Å; R162-E169 PolarHBondContact NE-OE1 2.92Å; R162-E169 IonicContact NH2-OE1 3.56Å; R162-E169 PolarHBondContact NH2-OE1 3.04Å; V164-E169 HydrophobicContact CG1-CG 4.27Å; E165-E169 PolarHBondContact N-OE2 3.1Å; S166-E169 WeakPolarHBondContact O-CG 3.36Å; S166-E169 PolarHBondContact OG-N 3.16Å; S166-E169 VanDerWaalsContact OG-N 3.15Å; E169-R172 PolarHBondContact O-N 2.8Å; E169-E173 WeakPolarHBondContact O-CG 3.5Å; E169-E173 PolarHBondContact O-N 3.01Å |
| 170 | V | 96.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.7 | -39 | 179.8 | -177.3 | 0 | 0 | 0 | 0 | 110.7 | V4 I6 V164 F167 E168 E173 A175 I178 | V4-V170 HydrophobicContact CB-CG1 3.7Å; V4-V170 HydrophobicContact CG1-CG1 3.7Å; V4-V170 HydrophobicContact CG2-CG1 3.85Å; I6-V170 HydrophobicContact CD1-CG2 4.31Å; V164-V170 HydrophobicContact CG1-CG2 3.52Å; V164-V170 HydrophobicContact CG2-CG2 4.14Å; F167-V170 PolarHBondContact O-N 3.16Å; E168-V170 VanDerWaalsContact C-N 3.32Å; E168-V170 PolarHBondContact O-N 3.46Å; V170-E173 PolarHBondContact O-N 3.15Å; V170-A175 HydrophobicContact CG1-CB 3.78Å; V170-A175 WeakPolarHBondContact O-CB 3.5Å; V170-A175 PolarHBondContact O-N 3.09Å; V170-I178 HydrophobicContact CB-CD1 3.79Å; V170-I178 HydrophobicContact CB-CG1 4.36Å; V170-I178 HydrophobicContact CG1-CD1 3.79Å; V170-I178 HydrophobicContact CG1-CG1 3.79Å |
| 171 | A | 95.8 | Very high | 96.9 | Very high | 4 Ų | 4 | 45.9 Ų | 45.9 | 3% | 0.033 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F167 E168 E173 G174 L296 T298 T303 | F167-A171 WeakPolarHBondContact O-CB 3.24Å; F167-A171 PolarHBondContact O-N 3.11Å; E168-A171 PolarHBondContact O-N 3.39Å; A171-E173 PolarHBondContact O-N 2.82Å; A171-G174 WeakPolarHBondContact O-CA 3.3Å; A171-G174 PolarHBondContact O-N 2.71Å; A171-L296 HydrophobicContact CB-CD2 4.46Å; A171-T298 HydrophobicContact CB-CG2 3.96Å; A171-T303 HydrophobicContact CB-CG2 4.08Å; A171-T303 VanDerWaalsContact CB-OG1 3.27Å; A171-T303 WeakPolarHBondContact CB-OG1 3.39Å |
| 172 | R | 94.2 | Very high | 96.9 | Very high | 172 Ų | 172 | 40.4 Ų | 40.4 | 65% | 0.649 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -64.5 | -26.2 | 178.6 | -75 | 176.6 | -176.4 | 142.9 | -5.6 | 113.3 | E168 E169 G174 | E168-R172 HydrophobicContact CG-CG 4.4Å; E168-R172 VanDerWaalsContact CG-CZ 3.45Å; E168-R172 WeakPolarHBondContact O-CB 3.39Å; E168-R172 VanDerWaalsContact O-CG 3.28Å; E168-R172 WeakPolarHBondContact O-CG 3.38Å; E168-R172 PolarHBondContact O-N 2.86Å; E168-R172 IonicContact OE1-CZ 2.66Å; E168-R172 IonicContact OE1-NE 2.82Å; E168-R172 IonicContact OE1-NH1 3.21Å; E168-R172 IonicContact OE1-NH2 2.78Å; E168-R172 PolarHBondContact OE1-NH2 3.1Å; E168-R172 IonicContact OE2-CZ 3.65Å; E168-R172 IonicContact OE2-NH1 3.75Å; E168-R172 PolarHBondContact OE2-NH1 3.21Å; E168-R172 IonicContact OE2-NH2 2.75Å; E168-R172 PolarHBondContact OE2-NH2 3.5Å; E169-R172 PolarHBondContact O-N 2.8Å; R172-G174 PolarHBondContact O-N 3.02Å |
| 173 | E | 94 | Very high | 97 | Very high | 95 Ų | 95 | 38.6 Ų | 38.6 | 44% | 0.444 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -4.1 | 170.7 | -71.3 | 174.6 | -170 | 0 | 0 | 113.5 | Y35 R162 E169 V170 A171 | Y35-E173 PolarHBondContact OH-OE2 3.12Å; R162-E173 IonicContact CZ-OE1 3.21Å; R162-E173 IonicContact CZ-OE2 2.71Å; R162-E173 IonicContact NH1-OE1 3.54Å; R162-E173 PolarHBondContact NH1-OE1 3.35Å; R162-E173 IonicContact NH1-OE2 2.86Å; R162-E173 PolarHBondContact NH1-OE2 3.2Å; R162-E173 IonicContact NH2-OE1 3.99Å; R162-E173 PolarHBondContact NH2-OE1 2.8Å; R162-E173 IonicContact NH2-OE2 3.93Å; E169-E173 WeakPolarHBondContact O-CG 3.5Å; E169-E173 PolarHBondContact O-N 3.01Å; V170-E173 PolarHBondContact O-N 3.15Å; A171-E173 PolarHBondContact O-N 2.82Å |
| 174 | G | 94.1 | Very high | 97 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 16% | 0.155 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 22 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | R2 A171 R172 D176 | R2-G174 PolarHBondContact NE-O 2.88Å; R2-G174 PolarHBondContact NH1-O 3.19Å; R2-G174 PolarHBondContact NH2-O 3.42Å; A171-G174 WeakPolarHBondContact O-CA 3.3Å; A171-G174 PolarHBondContact O-N 2.71Å; R172-G174 PolarHBondContact O-N 3.02Å; G174-D176 PolarHBondContact O-N 2.92Å |
| 175 | A | 95.9 | Very high | 97 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 5% | 0.05 | 18% | 0.184 | C | C | . | . | trans | -59.6 | 123.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | V4 V170 I178 T303 | V4-A175 HydrophobicContact CB-CB 4.31Å; V4-A175 HydrophobicContact CG2-CB 3.81Å; V170-A175 HydrophobicContact CG1-CB 3.78Å; V170-A175 WeakPolarHBondContact O-CB 3.5Å; V170-A175 PolarHBondContact O-N 3.09Å; A175-I178 HydrophobicContact CB-CG1 3.92Å; A175-T303 WeakPolarHBondContact O-CG2 3.5Å | ||
| 176 | D | 95.2 | Very high | 97 | Very high | 47 Ų | 47 | 32.4 Ų | 32.4 | 25% | 0.251 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -82.4 | -28.3 | 174.4 | -59.6 | -50.4 | 0 | 0 | 0 | 111.1 | M1 R2 G174 E304 K337 | M1-D176 VanDerWaalsContact CA-OD2 3.25Å; M1-D176 WeakPolarHBondContact CA-OD2 3.46Å; M1-D176 HydrophobicContact CG-CB 4.2Å; M1-D176 HydrophobicContact SD-CB 3.19Å; M1-D176 WeakPolarHBondContact SD-CB 3.41Å; R2-D176 PolarHBondContact N-OD2 3.3Å; R2-D176 IonicContact NE-OD2 3.68Å; R2-D176 IonicContact NH2-OD1 3.2Å; R2-D176 PolarHBondContact O-N 3.02Å; G174-D176 PolarHBondContact O-N 2.92Å; D176-E304 PolarHBondContact O-N 3.18Å; D176-K337 PolarHBondContact O-NZ 3.29Å; D176-K337 VanDerWaalsContact O-NZ 3.11Å |
| 177 | V | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 132.8 | 175.2 | -174 | 0 | 0 | 0 | 0 | 109.2 | M1 R2 V3 V4 V179 E304 I306 F330 I333 | M1-V177 HydrophobicContact CG-CG2 4.22Å; M1-V177 HydrophobicContact SD-CG2 4.1Å; R2-V177 PolarHBondContact O-N 3.1Å; V3-V177 WeakPolarHBondContact CA-O 3.46Å; V3-V177 HydrophobicContact CG1-CB 4.47Å; V3-V177 HydrophobicContact CG2-CB 4.45Å; V4-V177 PolarHBondContact N-O 2.83Å; V177-V179 HydrophobicContact CG1-CG2 4.49Å; V177-E304 CarbonylContact C-O 3.5Å; V177-E304 VanDerWaalsContact CA-O 3.27Å; V177-E304 WeakPolarHBondContact CA-O 3.33Å; V177-E304 HydrophobicContact CG1-CB 4.38Å; V177-E304 HydrophobicContact CG2-CB 4.23Å; V177-I306 HydrophobicContact CG1-CD1 4.17Å; V177-I306 HydrophobicContact CG1-CG1 4.32Å; V177-F330 HydrophobicContact CB-CD2 4.47Å; V177-F330 HydrophobicContact CB-CE2 4.23Å; V177-F330 HydrophobicContact CG1-CD2 4.17Å; V177-F330 HydrophobicContact CG1-CE2 4.42Å; V177-F330 HydrophobicContact CG2-CD2 4.19Å; V177-F330 HydrophobicContact CG2-CE2 3.86Å; V177-I333 HydrophobicContact CG1-CD1 4.45Å; V177-I333 HydrophobicContact CG2-CG2 4.14Å |
| 178 | I | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 130 | 170.7 | -60 | 170.8 | 0 | 0 | 0 | 107.9 | V4 I6 F167 V170 A175 T303 E304 V305 I306 | V4-I178 CarbonylContact O-C 3.59Å; V4-I178 WeakPolarHBondContact O-CA 3.43Å; I6-I178 HydrophobicContact CD1-CG2 3.51Å; I6-I178 HydrophobicContact CG1-CG2 4.01Å; F167-I178 HydrophobicContact CB-CD1 4.15Å; F167-I178 HydrophobicContact CD1-CD1 4.37Å; F167-I178 HydrophobicContact CD1-CG2 4.03Å; F167-I178 HydrophobicContact CE1-CG2 4.31Å; F167-I178 WeakPolarHBondContact O-CD1 3.47Å; V170-I178 HydrophobicContact CB-CD1 3.79Å; V170-I178 HydrophobicContact CB-CG1 4.36Å; V170-I178 HydrophobicContact CG1-CD1 3.79Å; V170-I178 HydrophobicContact CG1-CG1 3.79Å; A175-I178 HydrophobicContact CB-CG1 3.92Å; I178-T303 HydrophobicContact CD1-CG2 3.8Å; I178-T303 HydrophobicContact CG1-CG2 3.92Å; I178-E304 PolarHBondContact N-O 2.87Å; I178-V305 HydrophobicContact CB-CG2 4.38Å; I178-V305 CarbonylContact O-C 3.51Å; I178-V305 VanDerWaalsContact O-CA 3.27Å; I178-V305 WeakPolarHBondContact O-CA 3.47Å; I178-I306 PolarHBondContact O-N 3.09Å |
| 179 | V | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 109 | 172 | -170.3 | 0 | 0 | 0 | 0 | 108 | V3 V4 V5 I6 T15 I19 V177 C181 I306 | V3-V179 HydrophobicContact CG1-CG2 3.91Å; V4-V179 PolarHBondContact O-N 3.1Å; V5-V179 WeakPolarHBondContact CA-O 3.13Å; V5-V179 HydrophobicContact CB-CB 4.38Å; V5-V179 HydrophobicContact CG1-CB 4.27Å; V5-V179 HydrophobicContact CG2-CB 4.04Å; V5-V179 HydrophobicContact CG2-CG2 4.15Å; I6-V179 PolarHBondContact N-O 3.15Å; T15-V179 HydrophobicContact CG2-CG1 3.76Å; I19-V179 HydrophobicContact CD1-CG2 3.98Å; V177-V179 HydrophobicContact CG1-CG2 4.49Å; V179-C181 PolarHBondContact O-N 2.9Å; V179-I306 CarbonylContact C-O 3.48Å; V179-I306 WeakPolarHBondContact CA-O 3.32Å; V179-I306 HydrophobicContact CG1-CB 4.47Å |
| 180 | N | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 99.5 | -176.7 | 174.9 | 18.2 | 0 | 0 | 0 | 111 | F167 T182 V305 I306 H307 N308 | F167-N180 HydrophobicContact CE1-CB 3.93Å; F167-N180 HydrophobicContact CZ-CB 4.05Å; F167-N180 WeakPolarHBondContact CZ-ND2 3.05Å; N180-T182 WeakPolarHBondContact OD1-CB 3.32Å; N180-T182 WeakPolarHBondContact OD1-CG2 2.99Å; N180-T182 PolarHBondContact OD1-N 3.21Å; N180-T182 PolarHBondContact OD1-OG1 2.88Å; N180-V305 HydrophobicContact CB-CG1 4.33Å; N180-I306 PolarHBondContact N-O 3.01Å; N180-H307 PolarHBondContact ND2-ND1 2.84Å; N180-N308 CarbonylContact O-C 3.53Å; N180-N308 PolarHBondContact O-N 2.79Å |
| 181 | C | 98.9 | Very high | 97.2 | Very high | 9 Ų | 9 | 44.4 Ų | 44.4 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | trans | -116.1 | 36.2 | 178.5 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | I6 I11 G12 V179 G183 N308 | I6-C181 CarbonylContact O-C 3.52Å; I6-C181 VanDerWaalsContact O-CA 3.23Å; I6-C181 WeakPolarHBondContact O-CA 3.37Å; I6-C181 WeakPolarHBondContact O-CB 3.29Å; I6-C181 PolarHBondContact O-N 3.49Å; I11-C181 HydrophobicContact CB-CB 4.47Å; I11-C181 HydrophobicContact CG2-CB 4.15Å; G12-C181 VanDerWaalsContact CA-CB 3.48Å; V179-C181 PolarHBondContact O-N 2.9Å; C181-G183 PolarHBondContact O-N 2.62Å; C181-G183 VanDerWaalsContact O-N 3.14Å; C181-N308 WeakPolarHBondContact CA-O 3.47Å | ||
| 182 | T | 98.8 | Very high | 97.4 | Very high | 25 Ų | 25 | 45 Ų | 45 | 15% | 0.153 | 23% | 0.229 | C | C | . | . | trans | -78.3 | 9.7 | -171.4 | 50.3 | 0 | 0 | 0 | 0 | 115.3 | I6 N180 V184 W185 A186 L189 | I6-T182 HydrophobicContact CB-CG2 4.07Å; I6-T182 HydrophobicContact CG2-CG2 3.48Å; I6-T182 VanDerWaalsContact CG2-CG2 3.48Å; I6-T182 PolarHBondContact O-N 3.48Å; N180-T182 WeakPolarHBondContact OD1-CB 3.32Å; N180-T182 WeakPolarHBondContact OD1-CG2 2.99Å; N180-T182 PolarHBondContact OD1-N 3.21Å; N180-T182 PolarHBondContact OD1-OG1 2.88Å; T182-V184 PolarHBondContact O-N 3.35Å; T182-W185 PolarHBondContact O-N 2.83Å; T182-A186 WeakPolarHBondContact OG1-CA 3.4Å; T182-A186 VanDerWaalsContact OG1-CB 3.23Å; T182-A186 WeakPolarHBondContact OG1-CB 3.39Å; T182-A186 PolarHBondContact OG1-N 2.87Å; T182-L189 HydrophobicContact CG2-CD1 3.84Å | ||
| 183 | G | 98.7 | Very high | 97.5 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 22% | 0.216 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | 57.6 | -125.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C181 W185 | C181-G183 PolarHBondContact O-N 2.62Å; C181-G183 VanDerWaalsContact O-N 3.14Å; G183-W185 VanDerWaalsContact C-N 3.26Å; G183-W185 PolarHBondContact O-N 3.46Å |
| 184 | V | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.03 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -76.1 | -17.4 | -173.6 | 73.3 | 0 | 0 | 0 | 0 | 112.2 | T182 L195 P197 W247 F282 P284 | T182-V184 PolarHBondContact O-N 3.35Å; V184-L195 WeakPolarHBondContact O-CD2 3.29Å; V184-P197 HydrophobicContact CG2-CB 4.03Å; V184-W247 HydrophobicContact CG1-CH2 4.31Å; V184-W247 HydrophobicContact CG1-CZ3 4.16Å; V184-W247 HydrophobicContact CG2-CH2 3.76Å; V184-W247 HydrophobicContact CG2-CZ2 4.5Å; V184-W247 HydrophobicContact CG2-CZ3 4.2Å; V184-F282 HydrophobicContact CB-CB 4.46Å; V184-F282 HydrophobicContact CG1-CB 3.92Å; V184-F282 HydrophobicContact CG2-CB 4.41Å; V184-P284 HydrophobicContact CB-CB 4.03Å |
| 185 | W | 98.6 | Very high | 97.9 | Very high | 117 Ų | 117 | 41.3 Ų | 41.3 | 44% | 0.443 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -94 | 7.9 | -177 | -60.1 | -79.4 | 0 | 0 | 0 | 113.6 | T182 G183 G187 A188 W247 F282 | T182-W185 PolarHBondContact O-N 2.83Å; G183-W185 VanDerWaalsContact C-N 3.26Å; G183-W185 PolarHBondContact O-N 3.46Å; W185-G187 PolarHBondContact O-N 3.45Å; W185-G187 VanDerWaalsContact O-N 3.09Å; W185-A188 VanDerWaalsContact O-CB 3.3Å; W185-A188 WeakPolarHBondContact O-CB 3.28Å; W185-A188 PolarHBondContact O-N 3.12Å; W185-W247 AromaticContact NE1-CZ3 3.86Å; W185-F282 HydrophobicContact CZ2-CD2 4.18Å |
| 186 | A | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -55.7 | -31.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T182 A188 L189 Q190 L195 Y309 | T182-A186 WeakPolarHBondContact OG1-CA 3.4Å; T182-A186 VanDerWaalsContact OG1-CB 3.23Å; T182-A186 WeakPolarHBondContact OG1-CB 3.39Å; T182-A186 PolarHBondContact OG1-N 2.87Å; A186-A188 PolarHBondContact O-N 3.13Å; A186-A188 VanDerWaalsContact O-N 3.09Å; A186-L189 PolarHBondContact O-N 2.98Å; A186-L189 VanDerWaalsContact O-N 3.07Å; A186-Q190 PolarHBondContact O-N 2.82Å; A186-L195 HydrophobicContact CB-CD2 3.84Å; A186-Y309 HydrophobicContact CB-CD1 3.76Å; A186-Y309 HydrophobicContact CB-CD2 3.63Å; A186-Y309 HydrophobicContact CB-CE1 3.71Å; A186-Y309 HydrophobicContact CB-CE2 3.61Å; A186-Y309 HydrophobicContact CB-CG 3.71Å |
| 187 | G | 97.3 | Very high | 98.2 | Very high | 35 Ų | 35 | 43.2 Ų | 43.2 | 36% | 0.361 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -55.5 | -22.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | W185 Q190 | W185-G187 PolarHBondContact O-N 3.45Å; W185-G187 VanDerWaalsContact O-N 3.09Å; G187-Q190 VanDerWaalsContact CA-O 3.29Å; G187-Q190 WeakPolarHBondContact CA-O 3.27Å; G187-Q190 CarbonylContact O-C 3.53Å |
| 188 | A | 97.4 | Very high | 98.2 | Very high | 84 Ų | 84 | 43.2 Ų | 43.2 | 69% | 0.694 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -75 | -30 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | W185 A186 | W185-A188 VanDerWaalsContact O-CB 3.3Å; W185-A188 WeakPolarHBondContact O-CB 3.28Å; W185-A188 PolarHBondContact O-N 3.12Å; A186-A188 PolarHBondContact O-N 3.13Å; A186-A188 VanDerWaalsContact O-N 3.09Å |
| 189 | L | 97.8 | Very high | 98.2 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 15% | 0.152 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -33.8 | 176.8 | -61.8 | -178.1 | 0 | 0 | 0 | 111.9 | I6 V164 F167 T182 A186 | I6-L189 HydrophobicContact CD1-CD1 4.1Å; I6-L189 HydrophobicContact CG2-CD1 4.44Å; V164-L189 HydrophobicContact CB-CD2 4.31Å; V164-L189 HydrophobicContact CG1-CD2 3.88Å; V164-L189 WeakPolarHBondContact O-CD2 3.19Å; F167-L189 HydrophobicContact CD1-CD1 4.16Å; F167-L189 HydrophobicContact CD2-CB 4.44Å; F167-L189 HydrophobicContact CE1-CB 3.94Å; F167-L189 HydrophobicContact CE1-CD1 3.49Å; F167-L189 VanDerWaalsContact CE1-CD1 3.49Å; F167-L189 HydrophobicContact CE1-CG 4.33Å; F167-L189 HydrophobicContact CE2-CB 3.86Å; F167-L189 HydrophobicContact CZ-CB 3.55Å; F167-L189 HydrophobicContact CZ-CD1 3.89Å; F167-L189 HydrophobicContact CZ-CG 4.38Å; T182-L189 HydrophobicContact CG2-CD1 3.84Å; A186-L189 PolarHBondContact O-N 2.98Å; A186-L189 VanDerWaalsContact O-N 3.07Å |
| 190 | Q | 96.9 | Very high | 98.2 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -155 | 124.7 | 175.4 | 177.1 | 174.4 | -31.5 | 0 | 0 | 109.3 | F167 A186 G187 D192 E294 | F167-Q190 HydrophobicContact CE2-CB 3.84Å; A186-Q190 PolarHBondContact O-N 2.82Å; G187-Q190 VanDerWaalsContact CA-O 3.29Å; G187-Q190 WeakPolarHBondContact CA-O 3.27Å; G187-Q190 CarbonylContact O-C 3.53Å; Q190-D192 PolarHBondContact O-N 3.45Å; Q190-E294 PolarHBondContact NE2-OE1 3.16Å; Q190-E294 PolarHBondContact NE2-OE2 2.91Å; Q190-E294 PolarHBondContact OE1-OE2 3.2Å |
| 191 | R | 97.1 | Very high | 98.2 | Very high | 221 Ų | 221 | 43.4 Ų | 43.4 | 83% | 0.834 | 24% | 0.235 | S | C | * | . | trans | -55.7 | 120.5 | -175.7 | -175.3 | -179.4 | -179.9 | -178.1 | 0.2 | 111.2 | ||||
| 192 | D | 98.3 | Very high | 98.2 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | trans | -131.4 | 94.2 | 174 | -173.1 | -10 | 0 | 0 | 0 | 109.3 | Q190 L194 L195 R286 Y309 | Q190-D192 PolarHBondContact O-N 3.45Å; D192-L194 PolarHBondContact O-N 2.89Å; D192-L194 WeakPolarHBondContact OD1-CB 3.34Å; D192-L194 PolarHBondContact OD1-N 2.87Å; D192-L194 VanDerWaalsContact OD1-N 3.16Å; D192-L195 HydrophobicContact CB-CB 4.36Å; D192-L195 PolarHBondContact O-N 3.17Å; D192-R286 IonicContact OD1-NE 2.79Å; D192-R286 IonicContact OD1-NH2 3.74Å; D192-R286 IonicContact OD2-CZ 3.29Å; D192-R286 IonicContact OD2-NE 3.53Å; D192-R286 PolarHBondContact OD2-NE 2.97Å; D192-R286 IonicContact OD2-NH2 3.95Å; D192-R286 PolarHBondContact OD2-NH2 3.24Å; D192-Y309 VanDerWaalsContact OD2-CE2 3.27Å; D192-Y309 WeakPolarHBondContact OD2-CE2 3.15Å; D192-Y309 PolarHBondContact OD2-OH 3.42Å | ||
| 193 | P | 97.7 | Very high | 98.1 | Very high | 97 Ų | 97 | 42.1 Ų | 42.1 | 63% | 0.63 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -10.9 | -176.7 | 30.4 | -35.6 | 0 | 0 | 0 | 113.5 | L195 | P193-L195 VanDerWaalsContact C-N 3.28Š|
| 194 | L | 98.2 | Very high | 98.1 | Very high | 88 Ų | 88 | 43.2 Ų | 43.2 | 46% | 0.461 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -17 | 176.1 | -58 | 179.1 | 0 | 0 | 0 | 112 | D192 R286 P287 | D192-L194 PolarHBondContact O-N 2.89Å; D192-L194 WeakPolarHBondContact OD1-CB 3.34Å; D192-L194 PolarHBondContact OD1-N 2.87Å; D192-L194 VanDerWaalsContact OD1-N 3.16Å; L194-R286 HydrophobicContact CB-CG 3.97Å; L194-P287 WeakPolarHBondContact O-CD 3.38Å |
| 195 | L | 98.6 | Very high | 98.1 | Very high | 19 Ų | 19 | 43 Ų | 43 | 10% | 0.099 | 22% | 0.224 | C | C | . | . | trans | -89 | 127.8 | -179.6 | -176.1 | 67.8 | 0 | 0 | 0 | 110.9 | V184 A186 D192 P193 P284 V285 R286 Y309 | V184-L195 WeakPolarHBondContact O-CD2 3.29Å; A186-L195 HydrophobicContact CB-CD2 3.84Å; D192-L195 HydrophobicContact CB-CB 4.36Å; D192-L195 PolarHBondContact O-N 3.17Å; P193-L195 VanDerWaalsContact C-N 3.28Å; L195-P284 HydrophobicContact CD1-CB 4.02Å; L195-V285 CarbonylContact C-O 3.49Å; L195-V285 WeakPolarHBondContact CA-O 3.46Å; L195-R286 HydrophobicContact CD1-CB 4.3Å; L195-Y309 HydrophobicContact CD1-CD2 4.3Å; L195-Y309 HydrophobicContact CD2-CD2 3.99Å; L195-Y309 HydrophobicContact CD2-CE2 3.94Å | ||
| 196 | Q | 98.2 | Very high | 98.1 | Very high | 90 Ų | 90 | 40.1 Ų | 40.1 | 42% | 0.421 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 153.8 | -180 | -64.5 | -176.9 | 55.4 | 0 | 0 | 111 | G198 V285 | Q196-G198 PolarHBondContact O-N 2.83Å; Q196-V285 PolarHBondContact N-O 3.08Å; Q196-V285 WeakPolarHBondContact O-CB 3.32Å; Q196-V285 PolarHBondContact O-N 3.45Å |
| 197 | P | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128.8 | 170.9 | 34 | -37.1 | 0 | 0 | 0 | 109.9 | V184 L244 G245 W247 F282 | V184-P197 HydrophobicContact CG2-CB 4.03Å; P197-L244 CarbonylContact O-C 3.59Å; P197-L244 WeakPolarHBondContact O-CA 3.34Å; P197-G245 PolarHBondContact O-N 2.76Å; P197-W247 HydrophobicContact CB-CD2 4.09Å; P197-W247 HydrophobicContact CB-CE3 4.17Å; P197-W247 HydrophobicContact CB-CH2 4.37Å; P197-W247 HydrophobicContact CB-CZ2 4.28Å; P197-W247 HydrophobicContact CB-CZ3 4.3Å; P197-W247 HydrophobicContact CG-CD2 3.63Å; P197-W247 VanDerWaalsContact CG-CE2 3.42Å; P197-W247 HydrophobicContact CG-CE3 4.22Å; P197-W247 HydrophobicContact CG-CG 3.9Å; P197-W247 HydrophobicContact CG-CH2 4.45Å; P197-W247 HydrophobicContact CG-CZ2 3.89Å; P197-F282 HydrophobicContact CB-CB 4.23Å; P197-F282 HydrophobicContact CB-CD1 3.83Å; P197-F282 HydrophobicContact CB-CG 4.32Å |
| 198 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 86.7 | 159.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q196 G200 R283 | Q196-G198 PolarHBondContact O-N 2.83Å; G198-G200 PolarHBondContact O-N 3.09Å; G198-R283 PolarHBondContact N-O 3.5Å; G198-R283 WeakPolarHBondContact O-CB 3.33Å; G198-R283 WeakPolarHBondContact O-CG 3.34Å; G198-R283 PolarHBondContact O-N 3.17Å |
| 199 | R | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 127 | -178.8 | -177.4 | -177.6 | 172.8 | -76.3 | -8.4 | 110 | Q201 F242 Q243 N246 S248 L250 N252 D255 T280 G281 F282 | R199-Q201 VanDerWaalsContact NH2-OE1 3.08Å; R199-F242 CarbonylContact O-C 3.38Å; R199-F242 WeakPolarHBondContact O-CA 3.29Å; R199-Q243 HydrophobicContact CB-CB 4.29Å; R199-Q243 PolarHBondContact N-O 2.82Å; R199-Q243 PolarHBondContact O-N 3.09Å; R199-N246 HydrophobicContact CB-CB 4.07Å; R199-N246 WeakPolarHBondContact CB-O 3.49Å; R199-N246 VanDerWaalsContact CD-CG 3.42Å; R199-N246 WeakPolarHBondContact CD-ND2 3.42Å; R199-S248 WeakPolarHBondContact CD-O 3.18Å; R199-S248 PolarHBondContact NE-O 3Å; R199-L250 PolarHBondContact NH2-O 3.17Å; R199-N252 PolarHBondContact NH2-ND2 2.89Å; R199-N252 VanDerWaalsContact NH2-ND2 3.19Å; R199-D255 IonicContact CZ-OD2 3.6Å; R199-D255 IonicContact NH1-OD2 2.63Å; R199-D255 PolarHBondContact NH1-OD2 3.14Å; R199-D255 IonicContact NH2-OD2 3.72Å; R199-T280 HydrophobicContact CG-CG2 3.72Å; R199-T280 PolarHBondContact NH2-OG1 2.85Å; R199-G281 WeakPolarHBondContact CA-O 3.45Å; R199-F282 HydrophobicContact CB-CD1 4.04Å; R199-F282 HydrophobicContact CB-CE1 4.06Å; R199-F282 HydrophobicContact CG-CD1 4.28Å; R199-F282 HydrophobicContact CG-CE1 3.93Å |
| 200 | G | 98.5 | Very high | 98.2 | Very high | 4 Ų | 4 | 43.3 Ų | 43.3 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | G198 I241 T280 G281 | G198-G200 PolarHBondContact O-N 3.09Å; G200-I241 WeakPolarHBondContact CA-O 3.39Å; G200-T280 CarbonylContact O-C 3.54Å; G200-T280 VanDerWaalsContact O-CA 3.31Å; G200-T280 WeakPolarHBondContact O-CA 3.43Å; G200-G281 PolarHBondContact N-O 2.69Å; G200-G281 PolarHBondContact O-N 2.76Å |
| 201 | Q | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 139.7 | 166.2 | -171.5 | 168.4 | -41.4 | 0 | 0 | 108.4 | R199 N251 N252 D255 I259 E278 R279 | R199-Q201 VanDerWaalsContact NH2-OE1 3.08Å; Q201-N251 VanDerWaalsContact OE1-CA 3.31Å; Q201-N252 PolarHBondContact NE2-O 3.41Å; Q201-D255 HydrophobicContact CB-CB 4.26Å; Q201-I259 HydrophobicContact CB-CD1 4.13Å; Q201-I259 HydrophobicContact CG-CD1 4.27Å; Q201-I259 WeakPolarHBondContact O-CD1 3.44Å; Q201-E278 PolarHBondContact NE2-OE2 2.92Å; Q201-R279 WeakPolarHBondContact CA-O 3.31Å |
| 202 | I | 98.5 | Very high | 98.3 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 154.9 | 175.9 | 58.9 | 155 | 0 | 0 | 0 | 110.7 | V47 Y228 T237 L238 E278 R279 | V47-I202 HydrophobicContact CG1-CD1 3.91Å; V47-I202 HydrophobicContact CG1-CG1 3.91Å; V47-I202 WeakPolarHBondContact O-CD1 3.35Å; I202-Y228 WeakPolarHBondContact CG2-OH 3.32Å; I202-T237 HydrophobicContact CB-CG2 3.95Å; I202-T237 HydrophobicContact CD1-CG2 3.75Å; I202-T237 HydrophobicContact CG1-CG2 4.48Å; I202-T237 HydrophobicContact CG2-CG2 4.03Å; I202-L238 WeakPolarHBondContact CA-O 3.37Å; I202-L238 WeakPolarHBondContact CB-O 3.48Å; I202-E278 WeakPolarHBondContact O-CA 3.25Å; I202-R279 HydrophobicContact CG1-CB 4.28Å; I202-R279 PolarHBondContact N-O 3.39Å; I202-R279 PolarHBondContact O-N 3.41Å |
| 203 | M | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 136.1 | 168.9 | -46.1 | 178.5 | 67.1 | 0 | 0 | 109 | T237 L238 H256 I259 W260 I275 E278 | M203-T237 WeakPolarHBondContact O-CA 3.49Å; M203-L238 HydrophobicContact CB-CB 4.22Å; M203-L238 PolarHBondContact N-O 3.42Å; M203-L238 PolarHBondContact O-N 3.27Å; M203-H256 VanDerWaalsContact CE-CE1 3.4Å; M203-H256 WeakPolarHBondContact CE-CE1 3.16Å; M203-I259 HydrophobicContact CG-CB 4.47Å; M203-I259 HydrophobicContact CG-CG2 3.9Å; M203-I259 HydrophobicContact SD-CB 4.19Å; M203-I259 HydrophobicContact SD-CG2 3.84Å; M203-W260 HydrophobicContact CE-CB 4.49Å; M203-W260 HydrophobicContact CE-CD2 4.47Å; M203-W260 HydrophobicContact CE-CE3 3.78Å; M203-W260 HydrophobicContact CE-CZ3 4.46Å; M203-W260 HydrophobicContact SD-CB 4.01Å; M203-W260 HydrophobicContact SD-CE3 4.08Å; M203-I275 HydrophobicContact CE-CD1 3.45Å; M203-I275 VanDerWaalsContact CE-CD1 3.45Å; M203-I275 HydrophobicContact CE-CG1 3.88Å; M203-I275 HydrophobicContact CE-CG2 4.18Å; M203-E278 HydrophobicContact CB-CG 4.21Å; M203-E278 HydrophobicContact CE-CG 4.35Å; M203-E278 HydrophobicContact CG-CG 3.91Å |
| 204 | K | 98.4 | Very high | 98.4 | Very high | 44 Ų | 44 | 35.5 Ų | 35.5 | 19% | 0.191 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 128.9 | 168.4 | -67.6 | -66.7 | -165.4 | 168.1 | 0 | 108.2 | V236 T237 I276 G277 | K204-V236 WeakPolarHBondContact CA-O 3.42Å; K204-T237 HydrophobicContact CD-CG2 4.39Å; K204-T237 PolarHBondContact NZ-OG1 3.37Å; K204-I276 HydrophobicContact CB-CB 4.39Å; K204-I276 WeakPolarHBondContact O-CB 3.33Å; K204-I276 PolarHBondContact O-N 2.94Å; K204-G277 PolarHBondContact N-O 3.08Å; K204-G277 PolarHBondContact O-N 3.43Å |
| 205 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 154.2 | -179 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | A207 T235 V236 L238 W260 L270 A273 R274 I275 | V205-A207 HydrophobicContact CG2-CB 4.1Å; V205-A207 PolarHBondContact O-N 3.15Å; V205-T235 WeakPolarHBondContact O-CA 3.44Å; V205-V236 HydrophobicContact CG2-CB 3.86Å; V205-V236 HydrophobicContact CG2-CG1 4.44Å; V205-V236 PolarHBondContact N-O 2.85Å; V205-V236 PolarHBondContact O-N 3.35Å; V205-L238 HydrophobicContact CG1-CD1 3.65Å; V205-L238 HydrophobicContact CG1-CG 4.12Å; V205-L238 HydrophobicContact CG2-CD1 4.08Å; V205-L238 HydrophobicContact CG2-CD2 4.25Å; V205-L238 HydrophobicContact CG2-CG 4.04Å; V205-W260 HydrophobicContact CG1-CZ3 4.14Å; V205-L270 HydrophobicContact CG2-CD2 4.1Å; V205-A273 HydrophobicContact CB-CB 4.11Å; V205-A273 HydrophobicContact CG2-CB 4.2Å; V205-R274 CarbonylContact C-O 2.99Å; V205-R274 WeakPolarHBondContact CA-O 3.46Å; V205-I275 HydrophobicContact CG1-CG1 4.25Å |
| 206 | D | 98.6 | Very high | 98.4 | Very high | 56 Ų | 56 | 30.7 Ų | 30.7 | 30% | 0.299 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 94.4 | 173.2 | -168.7 | 3.2 | 0 | 0 | 0 | 108.9 | R274 I276 | D206-R274 HydrophobicContact CB-CB 4.21Å; D206-R274 PolarHBondContact N-O 2.94Å; D206-R274 IonicContact OD2-CZ 3.79Å; D206-R274 IonicContact OD2-NE 3.7Å; D206-R274 IonicContact OD2-NH2 2.96Å; D206-R274 PolarHBondContact OD2-NH2 3.19Å; D206-I276 HydrophobicContact CB-CD1 3.99Å; D206-I276 HydrophobicContact CB-CG1 4.05Å |
| 207 | A | 98.4 | Very high | 98.4 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.017 | 13% | 0.128 | C | C | . | . | trans | -140.3 | 64.4 | -179 | 0 | 0 | 0 | 0 | 0 | 110.3 | V205 W209 M210 V236 L270 A273 | V205-A207 HydrophobicContact CG2-CB 4.1Å; V205-A207 PolarHBondContact O-N 3.15Å; A207-W209 HydrophobicContact CB-CD2 4.38Å; A207-W209 HydrophobicContact CB-CH2 4.02Å; A207-W209 HydrophobicContact CB-CZ2 3.71Å; A207-W209 HydrophobicContact CB-CZ3 4.46Å; A207-W209 PolarHBondContact O-N 3.18Å; A207-M210 HydrophobicContact CB-CG 4.02Å; A207-M210 WeakPolarHBondContact O-CB 3.41Å; A207-M210 PolarHBondContact O-N 3.13Å; A207-V236 HydrophobicContact CB-CB 4.44Å; A207-V236 HydrophobicContact CB-CG2 3.94Å; A207-V236 WeakPolarHBondContact O-CG2 3.34Å; A207-L270 HydrophobicContact CB-CD2 3.9Å; A207-A273 HydrophobicContact CB-CB 3.94Å | ||
| 208 | P | 97.6 | Very high | 98.1 | Very high | 80 Ų | 80 | 28 Ų | 28 | 52% | 0.519 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -13.3 | -170.9 | 26.8 | -36.4 | 0 | 0 | 0 | 113.9 | M210 K211 | P208-M210 VanDerWaalsContact C-N 3.26Å; P208-M210 PolarHBondContact O-N 3.27Å; P208-K211 WeakPolarHBondContact O-CE 3.14Å; P208-K211 PolarHBondContact O-NZ 3.13Å |
| 209 | W | 98 | Very high | 97.6 | Very high | 117 Ų | 117 | 32.4 Ų | 32.4 | 44% | 0.443 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -17.1 | 173.6 | 58.3 | 87.7 | 0 | 0 | 0 | 113.3 | A207 K211 T269 A273 | A207-W209 HydrophobicContact CB-CD2 4.38Å; A207-W209 HydrophobicContact CB-CH2 4.02Å; A207-W209 HydrophobicContact CB-CZ2 3.71Å; A207-W209 HydrophobicContact CB-CZ3 4.46Å; A207-W209 PolarHBondContact O-N 3.18Å; W209-K211 PolarHBondContact O-N 2.7Å; W209-T269 PolarHBondContact NE1-OG1 2.87Å; W209-A273 HydrophobicContact CH2-CB 4.16Å; W209-A273 HydrophobicContact CZ2-CB 4.22Å |
| 210 | M | 98 | Very high | 97.2 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 8% | 0.079 | 21% | 0.205 | C | C | . | . | trans | -76.7 | 112.1 | 177 | -61.5 | -53.1 | -62.2 | 0 | 0 | 110.7 | A207 P208 I214 I229 P231 V236 E267 | A207-M210 HydrophobicContact CB-CG 4.02Å; A207-M210 WeakPolarHBondContact O-CB 3.41Å; A207-M210 PolarHBondContact O-N 3.13Å; P208-M210 VanDerWaalsContact C-N 3.26Å; P208-M210 PolarHBondContact O-N 3.27Å; M210-I214 HydrophobicContact CE-CD1 3.93Å; M210-I229 HydrophobicContact CE-CG2 4.27Å; M210-P231 HydrophobicContact CB-CG 4.05Å; M210-P231 WeakPolarHBondContact O-CB 3.3Å; M210-P231 WeakPolarHBondContact O-CG 3.36Å; M210-V236 HydrophobicContact CB-CG2 3.9Å; M210-V236 HydrophobicContact CG-CG2 4.31Å; M210-E267 HydrophobicContact CE-CB 4.49Å; M210-E267 HydrophobicContact CE-CG 3.65Å; M210-E267 HydrophobicContact SD-CG 3.68Å | ||
| 211 | K | 97.9 | Very high | 96.9 | Very high | 143 Ų | 143 | 49.4 Ų | 49.4 | 62% | 0.622 | 23% | 0.234 | S | C | * | . | trans | -114.8 | -5.4 | -177.3 | -57.4 | -52.4 | -173.3 | -168.3 | 0 | 114.6 | P208 W209 | P208-K211 WeakPolarHBondContact O-CE 3.14Å; P208-K211 PolarHBondContact O-NZ 3.13Å; W209-K211 PolarHBondContact O-N 2.7Å | ||
| 212 | H | 98.7 | Very high | 96.6 | Very high | 71 Ų | 71 | 50.9 Ų | 50.9 | 33% | 0.329 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.7 | 177.8 | -62.7 | 95.7 | 0 | 0 | 0 | 110.4 | S93 Y95 P231 | S93-H212 CarbonylContact O-C 3.56Å; S93-H212 WeakPolarHBondContact O-CA 3.42Å; S93-H212 WeakPolarHBondContact O-CB 3.43Å; S93-H212 PolarHBondContact O-CD2 3.22Å; Y95-H212 HydrophobicContact CD2-CB 4.11Å; Y95-H212 HydrophobicContact CE2-CB 3.67Å; Y95-H212 AromaticContact CE2-CG 3.77Å; H212-P231 WeakPolarHBondContact O-CD 3.45Å; H212-P231 WeakPolarHBondContact O-CG 3.5Å |
| 213 | F | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 147.6 | 163.3 | 69.9 | -99.7 | 0 | 0 | 0 | 109.4 | L51 I92 S93 G94 Y95 H134 L215 I229 I230 | L51-F213 HydrophobicContact CD1-CD1 3.84Å; L51-F213 HydrophobicContact CD1-CE1 4.24Å; L51-F213 HydrophobicContact CD1-CG 4.21Å; L51-F213 HydrophobicContact CD2-CB 4.48Å; L51-F213 HydrophobicContact CD2-CD1 4.49Å; L51-F213 HydrophobicContact CD2-CD2 4.15Å; L51-F213 HydrophobicContact CD2-CG 4.12Å; I92-F213 HydrophobicContact CD1-CB 4.4Å; I92-F213 HydrophobicContact CG1-CD1 4.2Å; I92-F213 HydrophobicContact CG2-CD1 3.86Å; I92-F213 HydrophobicContact CG2-CE1 4.39Å; S93-F213 VanDerWaalsContact C-CE1 3.4Å; S93-F213 WeakPolarHBondContact O-CD1 3.32Å; S93-F213 PolarHBondContact O-N 2.58Å; S93-F213 VanDerWaalsContact O-N 3.08Å; G94-F213 CarbonylContact C-O 3.56Å; G94-F213 VanDerWaalsContact CA-CE1 3.41Å; G94-F213 WeakPolarHBondContact CA-O 3.47Å; G94-F213 WeakPolarHBondContact O-CZ 3.14Å; Y95-F213 VanDerWaalsContact N-CE2 3.26Å; Y95-F213 PolarHBondContact N-O 2.96Å; H134-F213 AromaticContact CE1-CE1 3.8Å; H134-F213 AromaticContact CE1-CE2 3.95Å; H134-F213 AromaticContact CE1-CZ 3.14Å; H134-F213 WeakPolarHBondContact CE1-CZ 2.97Å; H134-F213 AromaticContact ND1-CE1 3.99Å; H134-F213 AromaticContact ND1-CZ 3.53Å; H134-F213 AromaticContact NE2-CZ 3.6Å; F213-L215 HydrophobicContact CB-CD1 4.12Å; F213-L215 HydrophobicContact CD2-CD1 3.45Å; F213-L215 VanDerWaalsContact CD2-CD1 3.45Å; F213-L215 HydrophobicContact CE2-CD1 4.28Å; F213-L215 HydrophobicContact CG-CD1 4.13Å; F213-I229 CarbonylContact C-O 3.57Å; F213-I229 VanDerWaalsContact CA-O 3.28Å; F213-I229 WeakPolarHBondContact CA-O 3.37Å; F213-I230 HydrophobicContact CB-CG1 4.42Å |
| 214 | I | 98.8 | Very high | 96.1 | Very high | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 111.9 | 175.1 | -50.2 | 166.5 | 0 | 0 | 0 | 106.7 | Y95 L97 F125 M210 Y228 I229 L266 | Y95-I214 HydrophobicContact CD2-CG1 4.19Å; L97-I214 HydrophobicContact CD1-CG2 3.61Å; F125-I214 HydrophobicContact CE1-CD1 4.03Å; F125-I214 HydrophobicContact CE1-CG1 4.39Å; F125-I214 HydrophobicContact CE1-CG2 3.99Å; F125-I214 HydrophobicContact CZ-CG2 4.44Å; M210-I214 HydrophobicContact CE-CD1 3.93Å; I214-Y228 CarbonylContact O-C 3.52Å; I214-Y228 WeakPolarHBondContact O-CA 3.48Å; I214-I229 HydrophobicContact CB-CB 4.37Å; I214-I229 HydrophobicContact CD1-CD1 4.33Å; I214-I229 PolarHBondContact N-O 3.29Å; I214-I229 PolarHBondContact O-N 2.81Å; I214-L266 HydrophobicContact CB-CD2 4.32Å; I214-L266 HydrophobicContact CG2-CD1 4.08Å; I214-L266 HydrophobicContact CG2-CD2 3.72Å; I214-L266 HydrophobicContact CG2-CG 4.08Å |
| 215 | L | 98.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 122.4 | 176.7 | -82.7 | 78.4 | 0 | 0 | 0 | 108.7 | L51 Y95 N96 L97 F213 Y224 I230 | L51-L215 HydrophobicContact CD2-CD1 3.53Å; L51-L215 HydrophobicContact CD2-CD2 4.08Å; L51-L215 HydrophobicContact CD2-CG 4.49Å; Y95-L215 PolarHBondContact O-N 3.46Å; N96-L215 CarbonylContact C-O 3.5Å; N96-L215 WeakPolarHBondContact CA-O 3.4Å; L97-L215 PolarHBondContact N-O 3.48Å; F213-L215 HydrophobicContact CB-CD1 4.12Å; F213-L215 HydrophobicContact CD2-CD1 3.45Å; F213-L215 VanDerWaalsContact CD2-CD1 3.45Å; F213-L215 HydrophobicContact CE2-CD1 4.28Å; F213-L215 HydrophobicContact CG-CD1 4.13Å; L215-Y224 HydrophobicContact CD2-CE1 4.19Å; L215-I230 HydrophobicContact CD1-CD1 4.26Å; L215-I230 HydrophobicContact CD1-CG1 4.05Å |
| 216 | T | 98.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.018 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 148.4 | 172.6 | 67.2 | 0 | 0 | 0 | 0 | 109.3 | L97 Y128 S226 P227 L266 | L97-T216 HydrophobicContact CB-CG2 4.17Å; L97-T216 HydrophobicContact CD1-CG2 4Å; Y128-T216 HydrophobicContact CE1-CG2 3.82Å; Y128-T216 HydrophobicContact CE2-CG2 3.73Å; Y128-T216 WeakPolarHBondContact OH-CB 3.32Å; Y128-T216 WeakPolarHBondContact OH-CG2 3.33Å; Y128-T216 PolarHBondContact OH-OG1 3.07Å; T216-S226 WeakPolarHBondContact O-CB 3.32Å; T216-S226 PolarHBondContact O-OG 3.16Å; T216-S226 PolarHBondContact OG1-OG 3.42Å; T216-P227 PolarHBondContact N-O 2.87Å; T216-P227 VanDerWaalsContact OG1-CD 3.27Å; T216-P227 WeakPolarHBondContact OG1-CD 3.42Å; T216-P227 PolarHBondContact OG1-O 3.05Å; T216-L266 HydrophobicContact CG2-CD1 3.68Å; T216-L266 HydrophobicContact CG2-CD2 3.56Å; T216-L266 HydrophobicContact CG2-CG 4.25Å |
| 217 | H | 97.8 | Very high | 96 | Very high | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.037 | 26% | 0.263 | C | S | . | . | trans | -129.4 | 136.2 | -174.9 | -58.5 | -82.6 | 0 | 0 | 0 | 110.3 | L56 N96 L97 F98 | L56-H217 HydrophobicContact CD1-CB 4.15Å; N96-H217 PolarHBondContact OD1-NE2 2.98Å; L97-H217 PolarHBondContact O-N 2.74Å; F98-H217 HydrophobicContact CD1-CB 3.63Å; F98-H217 HydrophobicContact CE1-CB 3.42Å; F98-H217 VanDerWaalsContact CE1-CB 3.42Å; F98-H217 AromaticContact CE1-CD2 3.29Å; F98-H217 WeakPolarHBondContact CE1-CD2 3.4Å; F98-H217 AromaticContact CE1-CG 3.45Å; F98-H217 VanDerWaalsContact CE1-CG 3.45Å; F98-H217 HydrophobicContact CZ-CB 4.37Å; F98-H217 AromaticContact CZ-CD2 3.34Å; F98-H217 WeakPolarHBondContact CZ-CD2 3.47Å; F98-H217 AromaticContact CZ-CG 3.97Å; F98-H217 AromaticContact CZ-NE2 3.92Å | ||
| 218 | D | 93.3 | Very high | 96.1 | Very high | 27 Ų | 27 | 53.4 Ų | 53.4 | 14% | 0.144 | 27% | 0.265 | C | S | . | . | trans | -129.7 | 95.7 | 173 | -178 | -19.6 | 0 | 0 | 0 | 107.1 | E220 R221 G222 | D218-E220 PolarHBondContact O-N 3.16Å; D218-E220 WeakPolarHBondContact OD1-CB 3.32Å; D218-E220 PolarHBondContact OD1-N 2.94Å; D218-E220 VanDerWaalsContact OD1-N 3.1Å; D218-R221 HydrophobicContact CB-CB 4.24Å; D218-R221 HydrophobicContact CB-CG 4.33Å; D218-R221 PolarHBondContact O-N 2.61Å; D218-R221 VanDerWaalsContact O-N 3.12Å; D218-R221 PolarHBondContact OD1-N 3.26Å; D218-R221 WeakPolarHBondContact OD2-CD 3.36Å; D218-R221 VanDerWaalsContact OD2-CG 3.29Å; D218-R221 WeakPolarHBondContact OD2-CG 3.37Å; D218-R221 IonicContact OD2-CZ 3.77Å; D218-R221 IonicContact OD2-NE 2.89Å; D218-R221 PolarHBondContact OD2-NE 3.47Å; D218-G222 PolarHBondContact O-N 3.17Å | ||
| 219 | P | 86.7 | Confident | 96.1 | Very high | 93 Ų | 93 | 49.6 Ų | 49.6 | 60% | 0.604 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -29.5 | -178.2 | -27.3 | 35.8 | 0 | 0 | 0 | 113.8 | G222 | P219-G222 PolarHBondContact O-N 2.84Š|
| 220 | E | 89.9 | Confident | 96.2 | Very high | 189 Ų | 189 | 44.4 Ų | 44.4 | 88% | 0.883 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -32 | 180 | -59.5 | -171.3 | 163.3 | 0 | 0 | 112.2 | D218 | D218-E220 PolarHBondContact O-N 3.16Å; D218-E220 WeakPolarHBondContact OD1-CB 3.32Å; D218-E220 PolarHBondContact OD1-N 2.94Å; D218-E220 VanDerWaalsContact OD1-N 3.1Å |
| 221 | R | 92.3 | Very high | 96.2 | Very high | 171 Ų | 171 | 44 Ų | 44 | 65% | 0.645 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -9.7 | 177.1 | -63.4 | -178.3 | -168.4 | -159.1 | -4.3 | 113.7 | D218 N225 | D218-R221 HydrophobicContact CB-CB 4.24Å; D218-R221 HydrophobicContact CB-CG 4.33Å; D218-R221 PolarHBondContact O-N 2.61Å; D218-R221 VanDerWaalsContact O-N 3.12Å; D218-R221 PolarHBondContact OD1-N 3.26Å; D218-R221 WeakPolarHBondContact OD2-CD 3.36Å; D218-R221 VanDerWaalsContact OD2-CG 3.29Å; D218-R221 WeakPolarHBondContact OD2-CG 3.37Å; D218-R221 IonicContact OD2-CZ 3.77Å; D218-R221 IonicContact OD2-NE 2.89Å; D218-R221 PolarHBondContact OD2-NE 3.47Å; R221-N225 HydrophobicContact CB-CB 3.92Å; R221-N225 WeakPolarHBondContact O-CB 3.43Å; R221-N225 PolarHBondContact O-ND2 2.71Å |
| 222 | G | 91.8 | Very high | 96.2 | Very high | 32 Ų | 32 | 38 Ų | 38 | 33% | 0.33 | 20% | 0.197 | S | C | . | . | trans | 79.4 | 176 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D218 P219 N225 | D218-G222 PolarHBondContact O-N 3.17Å; P219-G222 PolarHBondContact O-N 2.84Å; G222-N225 PolarHBondContact O-N 3.17Å | ||
| 223 | I | 92.3 | Very high | 95.9 | Very high | 45 Ų | 45 | 37.6 Ų | 37.6 | 23% | 0.231 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 136.1 | -168.6 | -166.7 | 157.4 | 0 | 0 | 0 | 113.3 | Y55 N225 F242 | Y55-I223 HydrophobicContact CD1-CD1 3.15Å; Y55-I223 HydrophobicContact CD1-CG1 4.37Å; Y55-I223 HydrophobicContact CD2-CD1 4.11Å; Y55-I223 HydrophobicContact CE1-CD1 3.68Å; Y55-I223 HydrophobicContact CG-CD1 3.37Å; I223-N225 PolarHBondContact O-N 2.95Å; I223-N225 VanDerWaalsContact O-N 3.07Å; I223-F242 HydrophobicContact CG2-CD2 4.36Å; I223-F242 HydrophobicContact CG2-CE2 4.23Å; I223-F242 VanDerWaalsContact O-CB 3.31Å; I223-F242 WeakPolarHBondContact O-CB 3.41Å |
| 224 | Y | 96 | Very high | 95.8 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 11% | 0.106 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | 17.8 | 178.3 | -49.4 | -40.2 | 0 | 0 | 0 | 115.5 | Y55 L215 G240 I241 F242 | Y55-Y224 HydrophobicContact CD1-CE2 4.23Å; Y55-Y224 AromaticContact CE1-CE2 3.72Å; Y55-Y224 HydrophobicContact CE1-CE2 3.72Å; L215-Y224 HydrophobicContact CD2-CE1 4.19Å; Y224-G240 CarbonylContact O-C 3.56Å; Y224-G240 WeakPolarHBondContact O-CA 3.15Å; Y224-I241 PolarHBondContact O-N 3.43Å; Y224-I241 VanDerWaalsContact O-N 3.07Å; Y224-F242 AromaticContact CD2-CD2 3.91Å; Y224-F242 HydrophobicContact CD2-CD2 3.91Å; Y224-F242 HydrophobicContact CD2-CE2 4.2Å |
| 225 | N | 97.5 | Very high | 95.7 | Very high | 45 Ų | 45 | 46.7 Ų | 46.7 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | trans | -92.2 | 23.8 | 166.2 | -74.9 | -46.9 | 0 | 0 | 0 | 112.3 | R221 G222 I223 G240 F242 | R221-N225 HydrophobicContact CB-CB 3.92Å; R221-N225 WeakPolarHBondContact O-CB 3.43Å; R221-N225 PolarHBondContact O-ND2 2.71Å; G222-N225 PolarHBondContact O-N 3.17Å; I223-N225 PolarHBondContact O-N 2.95Å; I223-N225 VanDerWaalsContact O-N 3.07Å; N225-G240 CarbonylContact C-O 3.33Å; N225-G240 WeakPolarHBondContact CA-O 3.39Å; N225-F242 PolarHBondContact ND2-O 3.09Å; N225-F242 VanDerWaalsContact ND2-O 3.08Å; N225-F242 WeakPolarHBondContact OD1-CA 3.41Å; N225-F242 PolarHBondContact OD1-N 3.14Å; N225-F242 PolarHBondContact OD1-O 3.07Å; N225-F242 VanDerWaalsContact OD1-O 3.06Å | ||
| 226 | S | 97.6 | Very high | 95.7 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 7% | 0.07 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -134.7 | 150.4 | 176.4 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | T216 G240 | T216-S226 WeakPolarHBondContact O-CB 3.32Å; T216-S226 PolarHBondContact O-OG 3.16Å; T216-S226 PolarHBondContact OG1-OG 3.42Å; S226-G240 VanDerWaalsContact O-CA 3.3Å; S226-G240 WeakPolarHBondContact O-CA 3.4Å |
| 227 | P | 98.5 | Very high | 95.7 | Very high | 26 Ų | 26 | 46.6 Ų | 46.6 | 17% | 0.169 | 25% | 0.245 | C | C | . | . | trans | -50.8 | 140.4 | -174 | -30.6 | 37 | 0 | 0 | 0 | 114.7 | T216 G239 L266 | T216-P227 PolarHBondContact N-O 2.87Å; T216-P227 VanDerWaalsContact OG1-CD 3.27Å; T216-P227 WeakPolarHBondContact OG1-CD 3.42Å; T216-P227 PolarHBondContact OG1-O 3.05Å; P227-G239 WeakPolarHBondContact CA-O 3.35Å; P227-L266 HydrophobicContact CB-CD2 4.18Å | ||
| 228 | Y | 98.7 | Very high | 95.8 | Very high | 10 Ų | 10 | 46.2 Ų | 46.2 | 4% | 0.039 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 145.7 | 167.2 | 60.8 | -98.4 | 0 | 0 | 0 | 111.8 | A49 I202 I214 I230 T237 L238 G239 | A49-Y228 HydrophobicContact CB-CE2 4.22Å; I202-Y228 WeakPolarHBondContact CG2-OH 3.32Å; I214-Y228 CarbonylContact O-C 3.52Å; I214-Y228 WeakPolarHBondContact O-CA 3.48Å; Y228-I230 HydrophobicContact CD2-CD1 3.79Å; Y228-I230 HydrophobicContact CD2-CG1 4.21Å; Y228-I230 HydrophobicContact CE2-CD1 4.29Å; Y228-T237 HydrophobicContact CE2-CG2 4.5Å; Y228-L238 WeakPolarHBondContact O-CA 3.15Å; Y228-G239 VanDerWaalsContact CE1-C 3.47Å; Y228-G239 VanDerWaalsContact CZ-CA 3.43Å; Y228-G239 PolarHBondContact N-O 3.11Å; Y228-G239 PolarHBondContact O-N 3.34Å |
| 229 | I | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 115.2 | -178.5 | -55.7 | 173.5 | 0 | 0 | 0 | 107.3 | M210 F213 I214 V236 T237 L238 C263 L266 E267 L270 | M210-I229 HydrophobicContact CE-CG2 4.27Å; F213-I229 CarbonylContact C-O 3.57Å; F213-I229 VanDerWaalsContact CA-O 3.28Å; F213-I229 WeakPolarHBondContact CA-O 3.37Å; I214-I229 HydrophobicContact CB-CB 4.37Å; I214-I229 HydrophobicContact CD1-CD1 4.33Å; I214-I229 PolarHBondContact N-O 3.29Å; I214-I229 PolarHBondContact O-N 2.81Å; I229-V236 HydrophobicContact CG2-CG1 3.5Å; I229-T237 WeakPolarHBondContact CA-O 3.46Å; I229-L238 HydrophobicContact CB-CD2 4.38Å; I229-L238 HydrophobicContact CG1-CD2 3.98Å; I229-L238 HydrophobicContact CG2-CD2 4.01Å; I229-C263 HydrophobicContact CD1-CB 4.45Å; I229-C263 HydrophobicContact CG1-CB 4.33Å; I229-L266 HydrophobicContact CD1-CB 4.49Å; I229-L266 HydrophobicContact CD1-CD2 3.9Å; I229-L266 HydrophobicContact CD1-CG 4.22Å; I229-L266 HydrophobicContact CG1-CD2 4.27Å; I229-E267 HydrophobicContact CD1-CB 3.51Å; I229-E267 HydrophobicContact CD1-CG 4.41Å; I229-L270 HydrophobicContact CD1-CD1 3.8Å; I229-L270 HydrophobicContact CG1-CD1 4.37Å |
| 230 | I | 98.8 | Very high | 96.6 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 104.2 | -176.2 | -63.2 | 168.3 | 0 | 0 | 0 | 108.9 | A49 L51 I138 F213 L215 Y228 G232 T237 | A49-I230 HydrophobicContact CB-CB 4.41Å; A49-I230 HydrophobicContact CB-CD1 3.53Å; A49-I230 WeakPolarHBondContact O-CG2 2.94Å; L51-I230 HydrophobicContact CB-CD1 3.92Å; L51-I230 HydrophobicContact CB-CG1 4.44Å; L51-I230 HydrophobicContact CB-CG2 4.05Å; L51-I230 HydrophobicContact CD2-CD1 4.28Å; I138-I230 HydrophobicContact CD1-CG2 3.64Å; F213-I230 HydrophobicContact CB-CG1 4.42Å; L215-I230 HydrophobicContact CD1-CD1 4.26Å; L215-I230 HydrophobicContact CD1-CG1 4.05Å; Y228-I230 HydrophobicContact CD2-CD1 3.79Å; Y228-I230 HydrophobicContact CD2-CG1 4.21Å; Y228-I230 HydrophobicContact CE2-CD1 4.29Å; I230-G232 PolarHBondContact O-N 3.03Å; I230-T237 PolarHBondContact N-O 3.41Å; I230-T237 PolarHBondContact O-N 3.35Å |
| 231 | P | 98.6 | Very high | 97 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 5% | 0.045 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 126.6 | 172.6 | -22.5 | 33.3 | 0 | 0 | 0 | 112.1 | I92 M210 H212 V236 | I92-P231 HydrophobicContact CD1-CB 3.91Å; I92-P231 HydrophobicContact CD1-CG 3.99Å; M210-P231 HydrophobicContact CB-CG 4.05Å; M210-P231 WeakPolarHBondContact O-CB 3.3Å; M210-P231 WeakPolarHBondContact O-CG 3.36Å; H212-P231 WeakPolarHBondContact O-CD 3.45Å; H212-P231 WeakPolarHBondContact O-CG 3.5Å; P231-V236 HydrophobicContact CB-CG2 4.42Å |
| 232 | G | 97.4 | Very high | 97.2 | Very high | 16 Ų | 16 | 24.7 Ų | 24.7 | 17% | 0.165 | 14% | 0.142 | C | C | . | . | trans | -97 | -167.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E140 I230 T235 | E140-G232 WeakPolarHBondContact OE1-CA 3.37Å; I230-G232 PolarHBondContact O-N 3.03Å; G232-T235 VanDerWaalsContact CA-O 3.3Å; G232-T235 WeakPolarHBondContact CA-O 3.23Å; G232-T235 PolarHBondContact N-O 3.09Å | ||
| 233 | T | 94 | Very high | 97.5 | Very high | 64 Ų | 64 | 25.7 Ų | 25.7 | 39% | 0.393 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -68.3 | -43.2 | 179.1 | 57.4 | 0 | 0 | 0 | 0 | 112 | F90 E140 | F90-T233 HydrophobicContact CD1-CG2 3.89Å; F90-T233 HydrophobicContact CE1-CG2 3.45Å; F90-T233 VanDerWaalsContact CE1-CG2 3.45Å; F90-T233 HydrophobicContact CZ-CG2 4.35Å; E140-T233 VanDerWaalsContact CD-OG1 3.24Å; E140-T233 PolarHBondContact OE1-N 3.31Å; E140-T233 PolarHBondContact OE1-OG1 2.96Å; E140-T233 WeakPolarHBondContact OE2-CB 3.16Å; E140-T233 WeakPolarHBondContact OE2-CG2 3.35Å; E140-T233 PolarHBondContact OE2-OG1 3.35Å |
| 234 | Q | 95 | Very high | 97.7 | Very high | 164 Ų | 164 | 28.6 Ų | 28.6 | 77% | 0.766 | 15% | 0.154 | S | C | * | . | S | Bend | trans | -115.3 | -25.9 | -174 | -63.9 | -180 | 29.6 | 0 | 0 | 114.1 | ||
| 235 | T | 97.6 | Very high | 97.8 | Very high | 32 Ų | 32 | 29 Ų | 29 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | trans | -139.6 | 156 | -175.1 | 56.8 | 0 | 0 | 0 | 0 | 110.3 | V205 G232 I276 | V205-T235 WeakPolarHBondContact O-CA 3.44Å; G232-T235 VanDerWaalsContact CA-O 3.3Å; G232-T235 WeakPolarHBondContact CA-O 3.23Å; G232-T235 PolarHBondContact N-O 3.09Å; T235-I276 HydrophobicContact CG2-CG1 4.22Å; T235-I276 HydrophobicContact CG2-CG2 4.42Å | ||
| 236 | V | 98.7 | Very high | 97.8 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 3% | 0.03 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 133.7 | 172.9 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | K204 V205 A207 M210 I229 P231 L238 | K204-V236 WeakPolarHBondContact CA-O 3.42Å; V205-V236 HydrophobicContact CG2-CB 3.86Å; V205-V236 HydrophobicContact CG2-CG1 4.44Å; V205-V236 PolarHBondContact N-O 2.85Å; V205-V236 PolarHBondContact O-N 3.35Å; A207-V236 HydrophobicContact CB-CB 4.44Å; A207-V236 HydrophobicContact CB-CG2 3.94Å; A207-V236 WeakPolarHBondContact O-CG2 3.34Å; M210-V236 HydrophobicContact CB-CG2 3.9Å; M210-V236 HydrophobicContact CG-CG2 4.31Å; I229-V236 HydrophobicContact CG2-CG1 3.5Å; P231-V236 HydrophobicContact CB-CG2 4.42Å; V236-L238 HydrophobicContact CG1-CD2 4.09Å |
| 237 | T | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 123.5 | 173.8 | -44.2 | 0 | 0 | 0 | 0 | 109.7 | A49 I202 M203 K204 Y228 I229 I230 | A49-T237 HydrophobicContact CB-CG2 3.95Å; I202-T237 HydrophobicContact CB-CG2 3.95Å; I202-T237 HydrophobicContact CD1-CG2 3.75Å; I202-T237 HydrophobicContact CG1-CG2 4.48Å; I202-T237 HydrophobicContact CG2-CG2 4.03Å; M203-T237 WeakPolarHBondContact O-CA 3.49Å; K204-T237 HydrophobicContact CD-CG2 4.39Å; K204-T237 PolarHBondContact NZ-OG1 3.37Å; Y228-T237 HydrophobicContact CE2-CG2 4.5Å; I229-T237 WeakPolarHBondContact CA-O 3.46Å; I230-T237 PolarHBondContact N-O 3.41Å; I230-T237 PolarHBondContact O-N 3.35Å |
| 238 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 139 | 168.3 | -48.8 | -176 | 0 | 0 | 0 | 108.8 | I202 M203 V205 Y228 I229 V236 I259 W260 C263 L270 | I202-L238 WeakPolarHBondContact CA-O 3.37Å; I202-L238 WeakPolarHBondContact CB-O 3.48Å; M203-L238 HydrophobicContact CB-CB 4.22Å; M203-L238 PolarHBondContact N-O 3.42Å; M203-L238 PolarHBondContact O-N 3.27Å; V205-L238 HydrophobicContact CG1-CD1 3.65Å; V205-L238 HydrophobicContact CG1-CG 4.12Å; V205-L238 HydrophobicContact CG2-CD1 4.08Å; V205-L238 HydrophobicContact CG2-CD2 4.25Å; V205-L238 HydrophobicContact CG2-CG 4.04Å; Y228-L238 WeakPolarHBondContact O-CA 3.15Å; I229-L238 HydrophobicContact CB-CD2 4.38Å; I229-L238 HydrophobicContact CG1-CD2 3.98Å; I229-L238 HydrophobicContact CG2-CD2 4.01Å; V236-L238 HydrophobicContact CG1-CD2 4.09Å; L238-I259 HydrophobicContact CB-CG2 3.75Å; L238-W260 HydrophobicContact CD1-CE3 4.18Å; L238-W260 HydrophobicContact CD1-CZ3 4.19Å; L238-C263 HydrophobicContact CB-CB 4.39Å; L238-C263 HydrophobicContact CD1-CB 4.16Å; L238-C263 HydrophobicContact CD2-CB 4.19Å; L238-C263 HydrophobicContact CG-CB 4.49Å; L238-L270 HydrophobicContact CD1-CD1 4.11Å; L238-L270 HydrophobicContact CD2-CD1 3.65Å; L238-L270 HydrophobicContact CD2-CD2 4.26Å |
| 239 | G | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | -168.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P227 Y228 | P227-G239 WeakPolarHBondContact CA-O 3.35Å; Y228-G239 VanDerWaalsContact CE1-C 3.47Å; Y228-G239 VanDerWaalsContact CZ-CA 3.43Å; Y228-G239 PolarHBondContact N-O 3.11Å; Y228-G239 PolarHBondContact O-N 3.34Å |
| 240 | G | 98.2 | Very high | 97.7 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | trans | 155.2 | 27.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y224 N225 S226 | Y224-G240 CarbonylContact O-C 3.56Å; Y224-G240 WeakPolarHBondContact O-CA 3.15Å; N225-G240 CarbonylContact C-O 3.33Å; N225-G240 WeakPolarHBondContact CA-O 3.39Å; S226-G240 VanDerWaalsContact O-CA 3.3Å; S226-G240 WeakPolarHBondContact O-CA 3.4Å | ||
| 241 | I | 98.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 5% | 0.046 | 28% | 0.275 | C | S | . | . | trans | -130.2 | 125.4 | -175.9 | -56.9 | -66.3 | 0 | 0 | 0 | 109.9 | G200 Y224 Q243 D255 T258 I259 R283 | G200-I241 WeakPolarHBondContact CA-O 3.39Å; Y224-I241 PolarHBondContact O-N 3.43Å; Y224-I241 VanDerWaalsContact O-N 3.07Å; I241-Q243 HydrophobicContact CG2-CG 3.95Å; I241-D255 HydrophobicContact CD1-CB 4.13Å; I241-D255 HydrophobicContact CG1-CB 4.02Å; I241-T258 HydrophobicContact CD1-CG2 3.94Å; I241-I259 HydrophobicContact CG1-CD1 3.77Å; I241-I259 HydrophobicContact CG1-CG1 3.72Å; I241-R283 PolarHBondContact O-NH1 2.86Å; I241-R283 VanDerWaalsContact O-NH1 3.16Å | ||
| 242 | F | 97.8 | Very high | 97.6 | Very high | 13 Ų | 13 | 53.9 Ų | 53.9 | 6% | 0.057 | 29% | 0.287 | C | S | . | . | trans | -145.5 | 93.5 | 173.3 | -162.9 | -60.3 | 0 | 0 | 0 | 109.9 | R199 I223 Y224 N225 L244 R283 V285 | R199-F242 CarbonylContact O-C 3.38Å; R199-F242 WeakPolarHBondContact O-CA 3.29Å; I223-F242 HydrophobicContact CG2-CD2 4.36Å; I223-F242 HydrophobicContact CG2-CE2 4.23Å; I223-F242 VanDerWaalsContact O-CB 3.31Å; I223-F242 WeakPolarHBondContact O-CB 3.41Å; Y224-F242 AromaticContact CD2-CD2 3.91Å; Y224-F242 HydrophobicContact CD2-CD2 3.91Å; Y224-F242 HydrophobicContact CD2-CE2 4.2Å; N225-F242 PolarHBondContact ND2-O 3.09Å; N225-F242 VanDerWaalsContact ND2-O 3.08Å; N225-F242 WeakPolarHBondContact OD1-CA 3.41Å; N225-F242 PolarHBondContact OD1-N 3.14Å; N225-F242 PolarHBondContact OD1-O 3.07Å; N225-F242 VanDerWaalsContact OD1-O 3.06Å; F242-L244 HydrophobicContact CD1-CD2 4.42Å; F242-L244 HydrophobicContact CD1-CG 4.39Å; F242-L244 HydrophobicContact CE1-CD2 3.67Å; F242-L244 HydrophobicContact CE1-CG 4.07Å; F242-R283 HydrophobicContact CE2-CG 4.46Å; F242-V285 HydrophobicContact CE1-CG2 3.74Å; F242-V285 HydrophobicContact CZ-CG2 3.46Å; F242-V285 VanDerWaalsContact CZ-CG2 3.46Å | ||
| 243 | Q | 97.7 | Very high | 97.6 | Very high | 53 Ų | 53 | 58.8 Ų | 58.8 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 106.8 | -176.3 | -65.8 | 164.9 | -11.9 | 0 | 0 | 110.4 | R199 I241 N246 D255 | R199-Q243 HydrophobicContact CB-CB 4.29Å; R199-Q243 PolarHBondContact N-O 2.82Å; R199-Q243 PolarHBondContact O-N 3.09Å; I241-Q243 HydrophobicContact CG2-CG 3.95Å; Q243-N246 HydrophobicContact CB-CB 3.99Å; Q243-N246 PolarHBondContact OE1-ND2 2.94Å; Q243-D255 PolarHBondContact NE2-OD1 2.85Å; Q243-D255 PolarHBondContact NE2-OD2 2.73Å |
| 244 | L | 97.3 | Very high | 97.8 | Very high | 106 Ų | 106 | 61.6 Ų | 61.6 | 56% | 0.555 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 138.4 | 176.6 | -72.4 | 173.8 | 0 | 0 | 0 | 111.8 | P197 F242 N246 V285 | P197-L244 CarbonylContact O-C 3.59Å; P197-L244 WeakPolarHBondContact O-CA 3.34Å; F242-L244 HydrophobicContact CD1-CD2 4.42Å; F242-L244 HydrophobicContact CD1-CG 4.39Å; F242-L244 HydrophobicContact CE1-CD2 3.67Å; F242-L244 HydrophobicContact CE1-CG 4.07Å; L244-N246 PolarHBondContact O-N 3.2Å; L244-N246 VanDerWaalsContact O-N 3.16Å; L244-V285 HydrophobicContact CD2-CB 3.88Å; L244-V285 HydrophobicContact CD2-CG1 3.76Å; L244-V285 HydrophobicContact CD2-CG2 3.85Å |
| 245 | G | 97.4 | Very high | 98 | Very high | 36 Ų | 36 | 54.2 Ų | 54.2 | 37% | 0.371 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | -9.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115 | P197 W247 | P197-G245 PolarHBondContact O-N 2.76Å; G245-W247 PolarHBondContact O-N 2.8Å |
| 246 | N | 98.1 | Very high | 98 | Very high | 53 Ų | 53 | 54.4 Ų | 54.4 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | trans | -78.8 | 116.7 | 178.4 | -171.4 | -9.9 | 0 | 0 | 0 | 110.9 | R199 Q243 L244 S248 F282 | R199-N246 HydrophobicContact CB-CB 4.07Å; R199-N246 WeakPolarHBondContact CB-O 3.49Å; R199-N246 VanDerWaalsContact CD-CG 3.42Å; R199-N246 WeakPolarHBondContact CD-ND2 3.42Å; Q243-N246 HydrophobicContact CB-CB 3.99Å; Q243-N246 PolarHBondContact OE1-ND2 2.94Å; L244-N246 PolarHBondContact O-N 3.2Å; L244-N246 VanDerWaalsContact O-N 3.16Å; N246-S248 WeakPolarHBondContact OD1-CB 3.12Å; N246-S248 PolarHBondContact OD1-N 2.77Å; N246-F282 WeakPolarHBondContact O-CE1 3.5Å | ||
| 247 | W | 98.1 | Very high | 98 | Very high | 128 Ų | 128 | 56.8 Ų | 56.8 | 49% | 0.485 | 29% | 0.294 | S | S | . | . | trans | -98.1 | 5.8 | 179.7 | -75.8 | 100.7 | 0 | 0 | 0 | 114.2 | V184 W185 P197 G245 E249 F282 | V184-W247 HydrophobicContact CG1-CH2 4.31Å; V184-W247 HydrophobicContact CG1-CZ3 4.16Å; V184-W247 HydrophobicContact CG2-CH2 3.76Å; V184-W247 HydrophobicContact CG2-CZ2 4.5Å; V184-W247 HydrophobicContact CG2-CZ3 4.2Å; W185-W247 AromaticContact NE1-CZ3 3.86Å; P197-W247 HydrophobicContact CB-CD2 4.09Å; P197-W247 HydrophobicContact CB-CE3 4.17Å; P197-W247 HydrophobicContact CB-CH2 4.37Å; P197-W247 HydrophobicContact CB-CZ2 4.28Å; P197-W247 HydrophobicContact CB-CZ3 4.3Å; P197-W247 HydrophobicContact CG-CD2 3.63Å; P197-W247 VanDerWaalsContact CG-CE2 3.42Å; P197-W247 HydrophobicContact CG-CE3 4.22Å; P197-W247 HydrophobicContact CG-CG 3.9Å; P197-W247 HydrophobicContact CG-CH2 4.45Å; P197-W247 HydrophobicContact CG-CZ2 3.89Å; G245-W247 PolarHBondContact O-N 2.8Å; W247-E249 PolarHBondContact O-N 3.26Å; W247-F282 WeakPolarHBondContact O-CZ 3.4Å | ||
| 248 | S | 97.8 | Very high | 98 | Very high | 54 Ų | 54 | 59.7 Ų | 59.7 | 38% | 0.378 | 31% | 0.312 | S | S | . | . | trans | -68.3 | 115.4 | -180 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | R199 N246 L250 | R199-S248 WeakPolarHBondContact CD-O 3.18Å; R199-S248 PolarHBondContact NE-O 3Å; N246-S248 WeakPolarHBondContact OD1-CB 3.12Å; N246-S248 PolarHBondContact OD1-N 2.77Å; S248-L250 VanDerWaalsContact C-N 3.29Å | ||
| 249 | E | 96.1 | Very high | 98 | Very high | 135 Ų | 135 | 59.8 Ų | 59.8 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | trans | -78.6 | -15.5 | 178.6 | -40.7 | -159.9 | 174.5 | 0 | 0 | 112.9 | W247 T280 F282 | W247-E249 PolarHBondContact O-N 3.26Å; E249-T280 WeakPolarHBondContact O-CB 3.34Å; E249-F282 HydrophobicContact CB-CE2 4.18Å; E249-F282 HydrophobicContact CB-CZ 4.1Å; E249-F282 HydrophobicContact CG-CE2 3.69Å; E249-F282 HydrophobicContact CG-CZ 3.75Å | ||
| 250 | L | 97.7 | Very high | 98 | Very high | 134 Ų | 134 | 62.7 Ų | 62.7 | 70% | 0.702 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -78 | 139.9 | -176.8 | -61 | 179.1 | 0 | 0 | 0 | 110.7 | R199 S248 | R199-L250 PolarHBondContact NH2-O 3.17Å; S248-L250 VanDerWaalsContact C-N 3.29Å |
| 251 | N | 98 | Very high | 98 | Very high | 69 Ų | 69 | 67.7 Ų | 67.7 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | trans | -62.8 | 144.7 | 164.1 | -60.9 | -20.9 | 0 | 0 | 0 | 108.8 | Q201 E278 T280 | Q201-N251 VanDerWaalsContact OE1-CA 3.31Å; N251-E278 WeakPolarHBondContact ND2-CB 3.32Å; N251-E278 PolarHBondContact ND2-O 3.33Å; N251-E278 VanDerWaalsContact ND2-O 3.09Å; N251-T280 PolarHBondContact OD1-N 3.43Å; N251-T280 PolarHBondContact OD1-OG1 2.83Å | ||
| 252 | N | 98.2 | Very high | 98 | Very high | 54 Ų | 54 | 67.8 Ų | 67.8 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | trans | -127.5 | 156.7 | 173.8 | 73.7 | 73.7 | 0 | 0 | 0 | 111.5 | R199 Q201 Q254 D255 H256 | R199-N252 PolarHBondContact NH2-ND2 2.89Å; R199-N252 VanDerWaalsContact NH2-ND2 3.19Å; Q201-N252 PolarHBondContact NE2-O 3.41Å; N252-Q254 PolarHBondContact OD1-N 2.64Å; N252-Q254 VanDerWaalsContact OD1-N 3.14Å; N252-D255 VanDerWaalsContact ND2-CG 3.33Å; N252-D255 PolarHBondContact ND2-OD2 3.17Å; N252-D255 WeakPolarHBondContact OD1-CB 3.34Å; N252-D255 PolarHBondContact OD1-N 3.31Å; N252-H256 PolarHBondContact O-N 2.76Å; N252-H256 VanDerWaalsContact O-N 3.13Å | ||
| 253 | I | 98.2 | Very high | 98 | Very high | 119 Ų | 119 | 67.2 Ų | 67.2 | 61% | 0.61 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -71.9 | -29.1 | -173.8 | -168.9 | 59.5 | 0 | 0 | 0 | 113 | H256 N257 | I253-H256 HydrophobicContact CD1-CB 4.35Å; I253-H256 WeakPolarHBondContact O-CB 3.28Å; I253-H256 PolarHBondContact O-N 3.16Å; I253-N257 WeakPolarHBondContact O-CB 3.46Å; I253-N257 PolarHBondContact O-N 3.27Å; I253-N257 PolarHBondContact O-ND2 3.41Å |
| 254 | Q | 98.3 | Very high | 98.1 | Very high | 124 Ų | 124 | 65.8 Ų | 65.8 | 58% | 0.579 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.7 | -46 | 179.8 | -176 | 61.6 | 27.7 | 0 | 0 | 111 | N252 N257 T258 | N252-Q254 PolarHBondContact OD1-N 2.64Å; N252-Q254 VanDerWaalsContact OD1-N 3.14Å; Q254-N257 PolarHBondContact O-N 3.34Å; Q254-T258 WeakPolarHBondContact O-CB 3.13Å; Q254-T258 PolarHBondContact O-N 3.09Å; Q254-T258 PolarHBondContact O-OG1 2.62Å |
| 255 | D | 98.4 | Very high | 98.1 | Very high | 8 Ų | 8 | 68.8 Ų | 68.8 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68.1 | -37.9 | 176.3 | -70.3 | -12.3 | 0 | 0 | 0 | 111.4 | R199 Q201 I241 Q243 N252 T258 I259 | R199-D255 IonicContact CZ-OD2 3.6Å; R199-D255 IonicContact NH1-OD2 2.63Å; R199-D255 PolarHBondContact NH1-OD2 3.14Å; R199-D255 IonicContact NH2-OD2 3.72Å; Q201-D255 HydrophobicContact CB-CB 4.26Å; I241-D255 HydrophobicContact CD1-CB 4.13Å; I241-D255 HydrophobicContact CG1-CB 4.02Å; Q243-D255 PolarHBondContact NE2-OD1 2.85Å; Q243-D255 PolarHBondContact NE2-OD2 2.73Å; N252-D255 VanDerWaalsContact ND2-CG 3.33Å; N252-D255 PolarHBondContact ND2-OD2 3.17Å; N252-D255 WeakPolarHBondContact OD1-CB 3.34Å; N252-D255 PolarHBondContact OD1-N 3.31Å; D255-T258 PolarHBondContact O-N 3.2Å; D255-I259 WeakPolarHBondContact O-CD1 3.45Å; D255-I259 VanDerWaalsContact O-CG1 3.23Å; D255-I259 WeakPolarHBondContact O-CG1 3.43Å; D255-I259 PolarHBondContact O-N 2.6Å |
| 256 | H | 98.4 | Very high | 98.1 | Very high | 36 Ų | 36 | 67.9 Ų | 67.9 | 17% | 0.167 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -53.9 | -55.6 | 171.4 | 172.6 | 106.9 | 0 | 0 | 0 | 111.1 | M203 N252 I253 T258 I259 W260 E278 | M203-H256 VanDerWaalsContact CE-CE1 3.4Å; M203-H256 WeakPolarHBondContact CE-CE1 3.16Å; N252-H256 PolarHBondContact O-N 2.76Å; N252-H256 VanDerWaalsContact O-N 3.13Å; I253-H256 HydrophobicContact CD1-CB 4.35Å; I253-H256 WeakPolarHBondContact O-CB 3.28Å; I253-H256 PolarHBondContact O-N 3.16Å; H256-T258 VanDerWaalsContact C-N 3.31Å; H256-T258 PolarHBondContact O-N 3.19Å; H256-I259 PolarHBondContact O-N 3.21Å; H256-W260 WeakPolarHBondContact O-CB 3.38Å; H256-W260 PolarHBondContact O-N 2.82Å; H256-E278 IonicContact CE1-OE1 3.1Å; H256-E278 PolarHBondContact CE1-OE1 3.17Å; H256-E278 IonicContact CG-OE1 3.96Å; H256-E278 IonicContact CG-OE2 3.89Å; H256-E278 IonicContact ND1-OE1 2.67Å; H256-E278 PolarHBondContact ND1-OE1 3.31Å; H256-E278 IonicContact ND1-OE2 3.16Å; H256-E278 PolarHBondContact ND1-OE2 3.31Å; H256-E278 VanDerWaalsContact ND1-OE2 3.16Å |
| 257 | N | 98.4 | Very high | 98.1 | Very high | 56 Ų | 56 | 67.2 Ų | 67.2 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | -178.4 | -67.9 | -15.1 | 0 | 0 | 0 | 110.7 | I253 Q254 I259 W260 E261 | I253-N257 WeakPolarHBondContact O-CB 3.46Å; I253-N257 PolarHBondContact O-N 3.27Å; I253-N257 PolarHBondContact O-ND2 3.41Å; Q254-N257 PolarHBondContact O-N 3.34Å; N257-I259 PolarHBondContact O-N 2.83Å; N257-W260 PolarHBondContact O-N 3.3Å; N257-E261 VanDerWaalsContact O-CB 3.24Å; N257-E261 WeakPolarHBondContact O-CB 3.12Å; N257-E261 VanDerWaalsContact O-CG 3.25Å; N257-E261 WeakPolarHBondContact O-CG 3.44Å; N257-E261 PolarHBondContact O-N 2.88Å |
| 258 | T | 98.3 | Very high | 98 | Very high | 60 Ų | 60 | 64.9 Ų | 64.9 | 37% | 0.368 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 178.3 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | I241 Q254 D255 H256 G262 | I241-T258 HydrophobicContact CD1-CG2 3.94Å; Q254-T258 WeakPolarHBondContact O-CB 3.13Å; Q254-T258 PolarHBondContact O-N 3.09Å; Q254-T258 PolarHBondContact O-OG1 2.62Å; D255-T258 PolarHBondContact O-N 3.2Å; H256-T258 VanDerWaalsContact C-N 3.31Å; H256-T258 PolarHBondContact O-N 3.19Å; T258-G262 PolarHBondContact O-N 2.71Å; T258-G262 VanDerWaalsContact O-N 3.12Å |
| 259 | I | 98.6 | Very high | 98 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.01 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -66.1 | -50.4 | 178.5 | -66.2 | 163.2 | 0 | 0 | 0 | 110.4 | Q201 M203 L238 I241 D255 H256 N257 C263 | Q201-I259 HydrophobicContact CB-CD1 4.13Å; Q201-I259 HydrophobicContact CG-CD1 4.27Å; Q201-I259 WeakPolarHBondContact O-CD1 3.44Å; M203-I259 HydrophobicContact CG-CB 4.47Å; M203-I259 HydrophobicContact CG-CG2 3.9Å; M203-I259 HydrophobicContact SD-CB 4.19Å; M203-I259 HydrophobicContact SD-CG2 3.84Å; L238-I259 HydrophobicContact CB-CG2 3.75Å; I241-I259 HydrophobicContact CG1-CD1 3.77Å; I241-I259 HydrophobicContact CG1-CG1 3.72Å; D255-I259 WeakPolarHBondContact O-CD1 3.45Å; D255-I259 VanDerWaalsContact O-CG1 3.23Å; D255-I259 WeakPolarHBondContact O-CG1 3.43Å; D255-I259 PolarHBondContact O-N 2.6Å; H256-I259 PolarHBondContact O-N 3.21Å; N257-I259 PolarHBondContact O-N 2.83Å; I259-C263 VanDerWaalsContact O-CB 3.25Å; I259-C263 WeakPolarHBondContact O-CB 3.07Å; I259-C263 PolarHBondContact O-N 3.23Å; I259-C263 PolarHBondContact O-SG 2.96Å |
| 260 | W | 98.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 58.7 Ų | 58.7 | 23% | 0.231 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64 | -50.3 | -174.2 | -177.3 | -104.6 | 0 | 0 | 0 | 112.1 | M203 V205 L238 H256 N257 C264 I275 | M203-W260 HydrophobicContact CE-CB 4.49Å; M203-W260 HydrophobicContact CE-CD2 4.47Å; M203-W260 HydrophobicContact CE-CE3 3.78Å; M203-W260 HydrophobicContact CE-CZ3 4.46Å; M203-W260 HydrophobicContact SD-CB 4.01Å; M203-W260 HydrophobicContact SD-CE3 4.08Å; V205-W260 HydrophobicContact CG1-CZ3 4.14Å; L238-W260 HydrophobicContact CD1-CE3 4.18Å; L238-W260 HydrophobicContact CD1-CZ3 4.19Å; H256-W260 WeakPolarHBondContact O-CB 3.38Å; H256-W260 PolarHBondContact O-N 2.82Å; N257-W260 PolarHBondContact O-N 3.3Å; W260-C264 VanDerWaalsContact CE2-SG 3.58Å; W260-C264 VanDerWaalsContact O-CB 3.27Å; W260-C264 WeakPolarHBondContact O-CB 3.3Å; W260-C264 PolarHBondContact O-N 2.75Å; W260-C264 PolarHBondContact O-SG 2.83Å; W260-I275 HydrophobicContact CE3-CD1 4.18Å; W260-I275 HydrophobicContact CE3-CG1 4.34Å; W260-I275 HydrophobicContact CH2-CD1 4.4Å; W260-I275 HydrophobicContact CH2-CG1 4.23Å; W260-I275 HydrophobicContact CZ3-CD1 4.02Å; W260-I275 HydrophobicContact CZ3-CG1 3.79Å |
| 261 | E | 98.2 | Very high | 98 | Very high | 112 Ų | 112 | 59.5 Ų | 59.5 | 52% | 0.523 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 179.9 | -67.4 | 173.4 | -172 | 0 | 0 | 111.5 | N257 R265 | N257-E261 VanDerWaalsContact O-CB 3.24Å; N257-E261 WeakPolarHBondContact O-CB 3.12Å; N257-E261 VanDerWaalsContact O-CG 3.25Å; N257-E261 WeakPolarHBondContact O-CG 3.44Å; N257-E261 PolarHBondContact O-N 2.88Å; E261-R265 WeakPolarHBondContact O-CB 3.4Å; E261-R265 PolarHBondContact O-N 3.06Å |
| 262 | G | 98 | Very high | 97.8 | Very high | 11 Ų | 11 | 62.2 Ų | 62.2 | 11% | 0.113 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -47.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | T258 R265 L266 | T258-G262 PolarHBondContact O-N 2.71Å; T258-G262 VanDerWaalsContact O-N 3.12Å; G262-R265 PolarHBondContact O-N 2.84Å; G262-L266 PolarHBondContact O-N 2.9Å; G262-L266 VanDerWaalsContact O-N 3.09Å |
| 263 | C | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.8 | -38.6 | 179.1 | -66.8 | 0 | 0 | 0 | 0 | 112.4 | I229 L238 I259 R265 L266 E267 L270 | I229-C263 HydrophobicContact CD1-CB 4.45Å; I229-C263 HydrophobicContact CG1-CB 4.33Å; L238-C263 HydrophobicContact CB-CB 4.39Å; L238-C263 HydrophobicContact CD1-CB 4.16Å; L238-C263 HydrophobicContact CD2-CB 4.19Å; L238-C263 HydrophobicContact CG-CB 4.49Å; I259-C263 VanDerWaalsContact O-CB 3.25Å; I259-C263 WeakPolarHBondContact O-CB 3.07Å; I259-C263 PolarHBondContact O-N 3.23Å; I259-C263 PolarHBondContact O-SG 2.96Å; C263-R265 VanDerWaalsContact C-N 3.31Å; C263-R265 PolarHBondContact O-N 2.82Å; C263-L266 PolarHBondContact O-N 3.23Å; C263-E267 PolarHBondContact O-N 3.17Å; C263-L270 HydrophobicContact CB-CD1 3.88Å |
| 264 | C | 98.3 | Very high | 97.8 | Very high | 24 Ų | 24 | 62 Ų | 62 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.8 | -28.2 | 175.6 | -72.7 | 0 | 0 | 0 | 0 | 112.9 | W260 E267 P268 | W260-C264 VanDerWaalsContact CE2-SG 3.58Å; W260-C264 VanDerWaalsContact O-CB 3.27Å; W260-C264 WeakPolarHBondContact O-CB 3.3Å; W260-C264 PolarHBondContact O-N 2.75Å; W260-C264 PolarHBondContact O-SG 2.83Å; C264-E267 CarbonylContact O-C 3.14Å; C264-P268 VanDerWaalsContact O-CA 3.23Å; C264-P268 WeakPolarHBondContact O-CA 3.48Å |
| 265 | R | 97.7 | Very high | 97.8 | Very high | 169 Ų | 169 | 59.3 Ų | 59.3 | 64% | 0.638 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -69 | -43.4 | 171.4 | -171.9 | -177.1 | -54.1 | 157.6 | 7.3 | 111.1 | E261 G262 C263 | E261-R265 WeakPolarHBondContact O-CB 3.4Å; E261-R265 PolarHBondContact O-N 3.06Å; G262-R265 PolarHBondContact O-N 2.84Å; C263-R265 VanDerWaalsContact C-N 3.31Å; C263-R265 PolarHBondContact O-N 2.82Å |
| 266 | L | 97.7 | Very high | 97.8 | Very high | 17 Ų | 17 | 62.7 Ų | 62.7 | 9% | 0.089 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 178.4 | -179.1 | 61.8 | 0 | 0 | 0 | 112.5 | L97 F125 Y128 I214 T216 P227 I229 G262 C263 | L97-L266 HydrophobicContact CD1-CD1 4.05Å; F125-L266 HydrophobicContact CD1-CD1 4.17Å; Y128-L266 HydrophobicContact CE2-CD1 3.85Å; I214-L266 HydrophobicContact CB-CD2 4.32Å; I214-L266 HydrophobicContact CG2-CD1 4.08Å; I214-L266 HydrophobicContact CG2-CD2 3.72Å; I214-L266 HydrophobicContact CG2-CG 4.08Å; T216-L266 HydrophobicContact CG2-CD1 3.68Å; T216-L266 HydrophobicContact CG2-CD2 3.56Å; T216-L266 HydrophobicContact CG2-CG 4.25Å; P227-L266 HydrophobicContact CB-CD2 4.18Å; I229-L266 HydrophobicContact CD1-CB 4.49Å; I229-L266 HydrophobicContact CD1-CD2 3.9Å; I229-L266 HydrophobicContact CD1-CG 4.22Å; I229-L266 HydrophobicContact CG1-CD2 4.27Å; G262-L266 PolarHBondContact O-N 2.9Å; G262-L266 VanDerWaalsContact O-N 3.09Å; C263-L266 PolarHBondContact O-N 3.23Å |
| 267 | E | 97.8 | Very high | 97.7 | Very high | 38 Ų | 38 | 62 Ų | 62 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | trans | -132.6 | 89.4 | 179.7 | 177.5 | 50.2 | -105.2 | 0 | 0 | 110.2 | M210 I229 C263 C264 T269 L270 | M210-E267 HydrophobicContact CE-CB 4.49Å; M210-E267 HydrophobicContact CE-CG 3.65Å; M210-E267 HydrophobicContact SD-CG 3.68Å; I229-E267 HydrophobicContact CD1-CB 3.51Å; I229-E267 HydrophobicContact CD1-CG 4.41Å; C263-E267 PolarHBondContact O-N 3.17Å; C264-E267 CarbonylContact O-C 3.14Å; E267-T269 WeakPolarHBondContact CG-OG1 3.5Å; E267-T269 PolarHBondContact O-N 3.48Å; E267-T269 VanDerWaalsContact OE1-CB 3.24Å; E267-T269 WeakPolarHBondContact OE1-CB 3.29Å; E267-T269 WeakPolarHBondContact OE1-CG2 3.48Å; E267-T269 PolarHBondContact OE1-N 2.95Å; E267-T269 PolarHBondContact OE1-OG1 2.84Å; E267-L270 HydrophobicContact CB-CD1 4.02Å; E267-L270 HydrophobicContact CB-CG 4.14Å; E267-L270 HydrophobicContact CG-CD1 4.31Å; E267-L270 HydrophobicContact CG-CG 3.91Å; E267-L270 WeakPolarHBondContact O-CB 3.34Å; E267-L270 PolarHBondContact O-N 3.49Å | ||
| 268 | P | 97.5 | Very high | 97.7 | Very high | 79 Ų | 79 | 61 Ų | 61 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -60.6 | -18.4 | -175.8 | -27.2 | 36.3 | 0 | 0 | 0 | 115.2 | C264 L270 K271 | C264-P268 VanDerWaalsContact O-CA 3.23Å; C264-P268 WeakPolarHBondContact O-CA 3.48Å; P268-L270 PolarHBondContact O-N 2.67Å; P268-K271 WeakPolarHBondContact O-CD 3.4Å; P268-K271 VanDerWaalsContact O-CG 3.26Å; P268-K271 WeakPolarHBondContact O-CG 3.35Å; P268-K271 PolarHBondContact O-N 2.87Å |
| 269 | T | 97.6 | Very high | 97.6 | Very high | 59 Ų | 59 | 65.3 Ų | 65.3 | 36% | 0.362 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -68.8 | -20.9 | 175.8 | 66.7 | 0 | 0 | 0 | 0 | 112.7 | W209 E267 K271 N272 | W209-T269 PolarHBondContact NE1-OG1 2.87Å; E267-T269 WeakPolarHBondContact CG-OG1 3.5Å; E267-T269 PolarHBondContact O-N 3.48Å; E267-T269 VanDerWaalsContact OE1-CB 3.24Å; E267-T269 WeakPolarHBondContact OE1-CB 3.29Å; E267-T269 WeakPolarHBondContact OE1-CG2 3.48Å; E267-T269 PolarHBondContact OE1-N 2.95Å; E267-T269 PolarHBondContact OE1-OG1 2.84Å; T269-K271 PolarHBondContact O-N 2.83Å; T269-K271 VanDerWaalsContact O-N 3.14Å; T269-N272 PolarHBondContact O-N 2.92Å |
| 270 | L | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -62.1 | -18.9 | 177 | -73.8 | 176.2 | 0 | 0 | 0 | 113.9 | V205 A207 I229 L238 C263 E267 P268 N272 A273 | V205-L270 HydrophobicContact CG2-CD2 4.1Å; A207-L270 HydrophobicContact CB-CD2 3.9Å; I229-L270 HydrophobicContact CD1-CD1 3.8Å; I229-L270 HydrophobicContact CG1-CD1 4.37Å; L238-L270 HydrophobicContact CD1-CD1 4.11Å; L238-L270 HydrophobicContact CD2-CD1 3.65Å; L238-L270 HydrophobicContact CD2-CD2 4.26Å; C263-L270 HydrophobicContact CB-CD1 3.88Å; E267-L270 HydrophobicContact CB-CD1 4.02Å; E267-L270 HydrophobicContact CB-CG 4.14Å; E267-L270 HydrophobicContact CG-CD1 4.31Å; E267-L270 HydrophobicContact CG-CG 3.91Å; E267-L270 WeakPolarHBondContact O-CB 3.34Å; E267-L270 PolarHBondContact O-N 3.49Å; P268-L270 PolarHBondContact O-N 2.67Å; L270-N272 PolarHBondContact O-N 2.9Å; L270-A273 HydrophobicContact CD2-CB 4.12Å; L270-A273 VanDerWaalsContact O-CB 3.22Å; L270-A273 WeakPolarHBondContact O-CB 2.99Å; L270-A273 PolarHBondContact O-N 3.31Å |
| 271 | K | 95.6 | Very high | 97.6 | Very high | 151 Ų | 151 | 63.8 Ų | 63.8 | 66% | 0.657 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -55.5 | -23.9 | 176 | 73.5 | -172.3 | 177.7 | 179.8 | 0 | 113.8 | P268 T269 | P268-K271 WeakPolarHBondContact O-CD 3.4Å; P268-K271 VanDerWaalsContact O-CG 3.26Å; P268-K271 WeakPolarHBondContact O-CG 3.35Å; P268-K271 PolarHBondContact O-N 2.87Å; T269-K271 PolarHBondContact O-N 2.83Å; T269-K271 VanDerWaalsContact O-N 3.14Å |
| 272 | N | 94.2 | Very high | 97.6 | Very high | 126 Ų | 126 | 58.9 Ų | 58.9 | 67% | 0.674 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -99.2 | -3.2 | 178.3 | -61.4 | -34.8 | 0 | 0 | 0 | 112.9 | T269 L270 | T269-N272 PolarHBondContact O-N 2.92Å; L270-N272 PolarHBondContact O-N 2.9Å |
| 273 | A | 98 | Very high | 97.6 | Very high | 11 Ų | 11 | 60 Ų | 60 | 9% | 0.091 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -74.5 | 136 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V205 A207 W209 L270 | V205-A273 HydrophobicContact CB-CB 4.11Å; V205-A273 HydrophobicContact CG2-CB 4.2Å; A207-A273 HydrophobicContact CB-CB 3.94Å; W209-A273 HydrophobicContact CH2-CB 4.16Å; W209-A273 HydrophobicContact CZ2-CB 4.22Å; L270-A273 HydrophobicContact CD2-CB 4.12Å; L270-A273 VanDerWaalsContact O-CB 3.22Å; L270-A273 WeakPolarHBondContact O-CB 2.99Å; L270-A273 PolarHBondContact O-N 3.31Å |
| 274 | R | 98.1 | Very high | 97.6 | Very high | 157 Ų | 157 | 60.7 Ų | 60.7 | 59% | 0.592 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 126.8 | 175.7 | 178.6 | 176.4 | 59.7 | 123.1 | 0.4 | 109.5 | V205 D206 I276 | V205-R274 CarbonylContact C-O 2.99Å; V205-R274 WeakPolarHBondContact CA-O 3.46Å; D206-R274 HydrophobicContact CB-CB 4.21Å; D206-R274 PolarHBondContact N-O 2.94Å; D206-R274 IonicContact OD2-CZ 3.79Å; D206-R274 IonicContact OD2-NE 3.7Å; D206-R274 IonicContact OD2-NH2 2.96Å; D206-R274 PolarHBondContact OD2-NH2 3.19Å; R274-I276 PolarHBondContact O-N 3.45Å |
| 275 | I | 97.9 | Very high | 97.6 | Very high | 68 Ų | 68 | 60.9 Ų | 60.9 | 35% | 0.349 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 123.1 | 172.1 | -59.9 | 166.5 | 0 | 0 | 0 | 108.8 | M203 V205 W260 | M203-I275 HydrophobicContact CE-CD1 3.45Å; M203-I275 VanDerWaalsContact CE-CD1 3.45Å; M203-I275 HydrophobicContact CE-CG1 3.88Å; M203-I275 HydrophobicContact CE-CG2 4.18Å; V205-I275 HydrophobicContact CG1-CG1 4.25Å; W260-I275 HydrophobicContact CE3-CD1 4.18Å; W260-I275 HydrophobicContact CE3-CG1 4.34Å; W260-I275 HydrophobicContact CH2-CD1 4.4Å; W260-I275 HydrophobicContact CH2-CG1 4.23Å; W260-I275 HydrophobicContact CZ3-CD1 4.02Å; W260-I275 HydrophobicContact CZ3-CG1 3.79Å |
| 276 | I | 97.8 | Very high | 97.6 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 41% | 0.41 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -35 | 178.7 | -61.6 | -60.5 | 0 | 0 | 0 | 111 | K204 D206 T235 R274 | K204-I276 HydrophobicContact CB-CB 4.39Å; K204-I276 WeakPolarHBondContact O-CB 3.33Å; K204-I276 PolarHBondContact O-N 2.94Å; D206-I276 HydrophobicContact CB-CD1 3.99Å; D206-I276 HydrophobicContact CB-CG1 4.05Å; T235-I276 HydrophobicContact CG2-CG1 4.22Å; T235-I276 HydrophobicContact CG2-CG2 4.42Å; R274-I276 PolarHBondContact O-N 3.45Å |
| 277 | G | 97.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 21% | 0.206 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.1 | 170.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K204 | K204-G277 PolarHBondContact N-O 3.08Å; K204-G277 PolarHBondContact O-N 3.43Å |
| 278 | E | 97.9 | Very high | 97.6 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 17% | 0.168 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 143.5 | -178.8 | -68.6 | 179.2 | -131.2 | 0 | 0 | 110.9 | Q201 I202 M203 N251 H256 | Q201-E278 PolarHBondContact NE2-OE2 2.92Å; I202-E278 WeakPolarHBondContact O-CA 3.25Å; M203-E278 HydrophobicContact CB-CG 4.21Å; M203-E278 HydrophobicContact CE-CG 4.35Å; M203-E278 HydrophobicContact CG-CG 3.91Å; N251-E278 WeakPolarHBondContact ND2-CB 3.32Å; N251-E278 PolarHBondContact ND2-O 3.33Å; N251-E278 VanDerWaalsContact ND2-O 3.09Å; H256-E278 IonicContact CE1-OE1 3.1Å; H256-E278 PolarHBondContact CE1-OE1 3.17Å; H256-E278 IonicContact CG-OE1 3.96Å; H256-E278 IonicContact CG-OE2 3.89Å; H256-E278 IonicContact ND1-OE1 2.67Å; H256-E278 PolarHBondContact ND1-OE1 3.31Å; H256-E278 IonicContact ND1-OE2 3.16Å; H256-E278 PolarHBondContact ND1-OE2 3.31Å; H256-E278 VanDerWaalsContact ND1-OE2 3.16Å |
| 279 | R | 97.4 | Very high | 97.6 | Very high | 150 Ų | 150 | 55.8 Ų | 55.8 | 57% | 0.566 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 146.3 | -177.6 | -63.3 | -65.3 | -178.3 | -91.2 | 1.4 | 110.4 | V47 Q201 I202 | V47-R279 HydrophobicContact CG1-CB 3.85Å; V47-R279 HydrophobicContact CG2-CB 4.3Å; Q201-R279 WeakPolarHBondContact CA-O 3.31Å; I202-R279 HydrophobicContact CG1-CB 4.28Å; I202-R279 PolarHBondContact N-O 3.39Å; I202-R279 PolarHBondContact O-N 3.41Å |
| 280 | T | 98.4 | Very high | 97.6 | Very high | 22 Ų | 22 | 54 Ų | 54 | 14% | 0.135 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 141.6 | 170 | -67.9 | 0 | 0 | 0 | 0 | 109 | R199 G200 E249 N251 | R199-T280 HydrophobicContact CG-CG2 3.72Å; R199-T280 PolarHBondContact NH2-OG1 2.85Å; G200-T280 CarbonylContact O-C 3.54Å; G200-T280 VanDerWaalsContact O-CA 3.31Å; G200-T280 WeakPolarHBondContact O-CA 3.43Å; E249-T280 WeakPolarHBondContact O-CB 3.34Å; N251-T280 PolarHBondContact OD1-N 3.43Å; N251-T280 PolarHBondContact OD1-OG1 2.83Å |
| 281 | G | 97.6 | Very high | 97.7 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 164.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R199 G200 | R199-G281 WeakPolarHBondContact CA-O 3.45Å; G200-G281 PolarHBondContact N-O 2.69Å; G200-G281 PolarHBondContact O-N 2.76Å |
| 282 | F | 98.5 | Very high | 97.8 | Very high | 9 Ų | 9 | 52 Ų | 52 | 4% | 0.039 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 108.7 | -177.6 | -57.4 | -66.9 | 0 | 0 | 0 | 111.1 | T44 V184 W185 P197 R199 N246 W247 E249 | T44-F282 WeakPolarHBondContact CG2-O 3.44Å; T44-F282 PolarHBondContact OG1-O 3.5Å; V184-F282 HydrophobicContact CB-CB 4.46Å; V184-F282 HydrophobicContact CG1-CB 3.92Å; V184-F282 HydrophobicContact CG2-CB 4.41Å; W185-F282 HydrophobicContact CZ2-CD2 4.18Å; P197-F282 HydrophobicContact CB-CB 4.23Å; P197-F282 HydrophobicContact CB-CD1 3.83Å; P197-F282 HydrophobicContact CB-CG 4.32Å; R199-F282 HydrophobicContact CB-CD1 4.04Å; R199-F282 HydrophobicContact CB-CE1 4.06Å; R199-F282 HydrophobicContact CG-CD1 4.28Å; R199-F282 HydrophobicContact CG-CE1 3.93Å; N246-F282 WeakPolarHBondContact O-CE1 3.5Å; W247-F282 WeakPolarHBondContact O-CZ 3.4Å; E249-F282 HydrophobicContact CB-CE2 4.18Å; E249-F282 HydrophobicContact CB-CZ 4.1Å; E249-F282 HydrophobicContact CG-CE2 3.69Å; E249-F282 HydrophobicContact CG-CZ 3.75Å |
| 283 | R | 98.5 | Very high | 98 | Very high | 34 Ų | 34 | 49 Ų | 49 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 129.4 | 171.1 | -64.3 | 173.1 | -173.9 | 101.2 | -5.1 | 108.8 | G198 I241 F242 V285 G312 | G198-R283 PolarHBondContact N-O 3.5Å; G198-R283 WeakPolarHBondContact O-CB 3.33Å; G198-R283 WeakPolarHBondContact O-CG 3.34Å; G198-R283 PolarHBondContact O-N 3.17Å; I241-R283 PolarHBondContact O-NH1 2.86Å; I241-R283 VanDerWaalsContact O-NH1 3.16Å; F242-R283 HydrophobicContact CE2-CG 4.46Å; R283-V285 VanDerWaalsContact C-N 3.29Å; R283-V285 HydrophobicContact CB-CG2 4.06Å; R283-V285 PolarHBondContact O-N 2.87Å; R283-G312 WeakPolarHBondContact CB-O 3.49Å |
| 284 | P | 98.5 | Very high | 98 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 10% | 0.104 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 77.7 | 177 | 30.6 | -36.6 | 0 | 0 | 0 | 110.9 | V184 L195 G310 H311 G312 | V184-P284 HydrophobicContact CB-CB 4.03Å; L195-P284 HydrophobicContact CD1-CB 4.02Å; P284-G310 CarbonylContact O-C 3.54Å; P284-G310 WeakPolarHBondContact O-CA 3.48Å; P284-H311 PolarHBondContact O-N 3.1Å; P284-G312 WeakPolarHBondContact CD-O 3.33Å; P284-G312 WeakPolarHBondContact O-CA 3.34Å; P284-G312 PolarHBondContact O-N 3.12Å |
| 285 | V | 98.4 | Very high | 97.8 | Very high | 27 Ų | 27 | 48.6 Ų | 48.6 | 16% | 0.164 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 128 | -173.4 | -175.2 | 0 | 0 | 0 | 0 | 110.5 | L195 Q196 F242 L244 R283 | L195-V285 CarbonylContact C-O 3.49Å; L195-V285 WeakPolarHBondContact CA-O 3.46Å; Q196-V285 PolarHBondContact N-O 3.08Å; Q196-V285 WeakPolarHBondContact O-CB 3.32Å; Q196-V285 PolarHBondContact O-N 3.45Å; F242-V285 HydrophobicContact CE1-CG2 3.74Å; F242-V285 HydrophobicContact CZ-CG2 3.46Å; F242-V285 VanDerWaalsContact CZ-CG2 3.46Å; L244-V285 HydrophobicContact CD2-CB 3.88Å; L244-V285 HydrophobicContact CD2-CG1 3.76Å; L244-V285 HydrophobicContact CD2-CG2 3.85Å; R283-V285 VanDerWaalsContact C-N 3.29Å; R283-V285 HydrophobicContact CB-CG2 4.06Å; R283-V285 PolarHBondContact O-N 2.87Å |
| 286 | R | 98.1 | Very high | 97.5 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 13% | 0.132 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 151.2 | 174.8 | -162.1 | 171.4 | -179.1 | -83.5 | 1.2 | 107.8 | D192 L194 L195 Q288 | D192-R286 IonicContact OD1-NE 2.79Å; D192-R286 IonicContact OD1-NH2 3.74Å; D192-R286 IonicContact OD2-CZ 3.29Å; D192-R286 IonicContact OD2-NE 3.53Å; D192-R286 PolarHBondContact OD2-NE 2.97Å; D192-R286 IonicContact OD2-NH2 3.95Å; D192-R286 PolarHBondContact OD2-NH2 3.24Å; L194-R286 HydrophobicContact CB-CG 3.97Å; L195-R286 HydrophobicContact CD1-CB 4.3Å; R286-Q288 WeakPolarHBondContact CD-O 3.43Å; R286-Q288 VanDerWaalsContact CG-O 3.29Å; R286-Q288 WeakPolarHBondContact CG-O 3.42Å; R286-Q288 PolarHBondContact NH1-O 2.88Å; R286-Q288 PolarHBondContact O-N 2.87Å; R286-Q288 VanDerWaalsContact O-N 3.16Å |
| 287 | P | 96.6 | Very high | 96.9 | Very high | 72 Ų | 72 | 52.9 Ų | 52.9 | 47% | 0.468 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -58 | -27.8 | 178.8 | -28 | 36 | 0 | 0 | 0 | 114.3 | N60 L194 | N60-P287 PolarHBondContact ND2-O 2.81Å; L194-P287 WeakPolarHBondContact O-CD 3.38Å |
| 288 | Q | 97 | Very high | 95.8 | Very high | 86 Ų | 86 | 52.5 Ų | 52.5 | 40% | 0.402 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 155.9 | 169.4 | 65.8 | -174.5 | 51.1 | 0 | 0 | 108.7 | N61 E64 R286 R290 | N61-Q288 HydrophobicContact CB-CB 4.25Å; E64-Q288 WeakPolarHBondContact OE1-CA 3.43Å; R286-Q288 WeakPolarHBondContact CD-O 3.43Å; R286-Q288 VanDerWaalsContact CG-O 3.29Å; R286-Q288 WeakPolarHBondContact CG-O 3.42Å; R286-Q288 PolarHBondContact NH1-O 2.88Å; R286-Q288 PolarHBondContact O-N 2.87Å; R286-Q288 VanDerWaalsContact O-N 3.16Å; Q288-R290 PolarHBondContact O-N 2.84Å |
| 289 | I | 98.5 | Very high | 94.6 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.5 | 137.4 | 175.5 | -68.7 | 166.5 | 0 | 0 | 0 | 109.6 | E64 W67 L291 H311 Y314 I318 | E64-I289 HydrophobicContact CG-CD1 4.04Å; E64-I289 PolarHBondContact OE1-N 3.22Å; W67-I289 HydrophobicContact CE3-CD1 4.31Å; W67-I289 HydrophobicContact CZ3-CB 4.25Å; W67-I289 HydrophobicContact CZ3-CD1 4.27Å; W67-I289 HydrophobicContact CZ3-CG2 4.28Å; I289-L291 HydrophobicContact CG2-CB 4Å; I289-L291 PolarHBondContact O-N 3.01Å; I289-H311 HydrophobicContact CD1-CB 4.44Å; I289-H311 VanDerWaalsContact CD1-CD2 3.46Å; I289-H311 WeakPolarHBondContact CD1-CD2 3.48Å; I289-H311 HydrophobicContact CG1-CB 4.48Å; I289-Y314 HydrophobicContact CD1-CE2 3.83Å; I289-Y314 HydrophobicContact CG1-CE2 4.46Å; I289-I318 HydrophobicContact CD1-CD1 3.65Å; I289-I318 HydrophobicContact CD1-CG2 4.15Å |
| 290 | R | 98.6 | Very high | 93.4 | Very high | 20 Ų | 20 | 53.5 Ų | 53.5 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 94.9 | 167.9 | -164 | -177.4 | -174.4 | -157.6 | -12.5 | 108.3 | Q288 E292 E294 H307 N308 Y309 | Q288-R290 PolarHBondContact O-N 2.84Å; R290-E292 HydrophobicContact CG-CG 4.08Å; R290-E292 IonicContact CZ-OE1 2.87Å; R290-E292 IonicContact NE-OE1 3.55Å; R290-E292 PolarHBondContact NE-OE1 3.34Å; R290-E292 IonicContact NH2-OE1 3.42Å; R290-E292 PolarHBondContact NH2-OE1 2.98Å; R290-E294 IonicContact CZ-OE2 2.7Å; R290-E294 IonicContact NH2-OE2 3.58Å; R290-E294 PolarHBondContact NH2-OE2 2.85Å; R290-H307 HydrophobicContact CG-CB 4.03Å; R290-H307 CarbonylContact O-C 3.06Å; R290-H307 VanDerWaalsContact O-C 3.3Å; R290-N308 WeakPolarHBondContact O-CA 3.32Å; R290-N308 PolarHBondContact O-N 3.45Å; R290-Y309 HydrophobicContact CB-CD2 4.47Å; R290-Y309 HydrophobicContact CB-CE1 4.19Å; R290-Y309 HydrophobicContact CB-CE2 4.1Å; R290-Y309 WeakPolarHBondContact CD-OH 3.45Å; R290-Y309 HydrophobicContact CG-CE1 4.37Å; R290-Y309 PolarHBondContact N-O 2.96Å; R290-Y309 PolarHBondContact NH1-OH 2.91Å; R290-Y309 PolarHBondContact O-N 3.07Å |
| 291 | L | 98.7 | Very high | 92.3 | Very high | 24 Ų | 24 | 55.4 Ų | 55.4 | 13% | 0.126 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 88.4 | 174.5 | -172.6 | 54.9 | 0 | 0 | 0 | 110.1 | W67 I289 H307 N308 C322 E325 A326 | W67-L291 HydrophobicContact CH2-CB 4Å; W67-L291 HydrophobicContact CH2-CD2 3.71Å; W67-L291 HydrophobicContact CH2-CG 4.39Å; W67-L291 HydrophobicContact CZ2-CD2 3.72Å; W67-L291 HydrophobicContact CZ3-CB 4.45Å; W67-L291 HydrophobicContact CZ3-CD2 4.11Å; I289-L291 HydrophobicContact CG2-CB 4Å; I289-L291 PolarHBondContact O-N 3.01Å; L291-H307 VanDerWaalsContact CA-O 3.27Å; L291-H307 WeakPolarHBondContact CA-O 3.31Å; L291-H307 WeakPolarHBondContact CD1-O 3.42Å; L291-N308 HydrophobicContact CD1-CB 3.69Å; L291-C322 HydrophobicContact CD2-CB 4.13Å; L291-E325 HydrophobicContact CD2-CB 3.73Å; L291-E325 HydrophobicContact CD2-CG 3.85Å; L291-E325 HydrophobicContact CG-CG 4.38Å; L291-A326 HydrophobicContact CD1-CB 4.1Å |
| 292 | E | 98.5 | Very high | 91.8 | Very high | 86 Ų | 86 | 58.9 Ų | 58.9 | 40% | 0.402 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 165 | -172.6 | 69.3 | -174.6 | -171.6 | 0 | 0 | 111.8 | R290 I306 H307 | R290-E292 HydrophobicContact CG-CG 4.08Å; R290-E292 IonicContact CZ-OE1 2.87Å; R290-E292 IonicContact NE-OE1 3.55Å; R290-E292 PolarHBondContact NE-OE1 3.34Å; R290-E292 IonicContact NH2-OE1 3.42Å; R290-E292 PolarHBondContact NH2-OE1 2.98Å; E292-I306 CarbonylContact O-C 3Å; E292-I306 WeakPolarHBondContact O-CA 3.32Å; E292-H307 HydrophobicContact CG-CB 4.43Å; E292-H307 PolarHBondContact N-O 3.47Å; E292-H307 PolarHBondContact O-N 3.03Å |
| 293 | R | 98.1 | Very high | 91.6 | Very high | 64 Ų | 64 | 58.6 Ų | 58.6 | 24% | 0.242 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 136.9 | 174.4 | 175.9 | -176.1 | 171.5 | -170.1 | -0.2 | 110.1 | E304 V305 I333 E336 | R293-E304 IonicContact CZ-OE1 2.72Å; R293-E304 IonicContact CZ-OE2 3.91Å; R293-E304 IonicContact NE-OE1 2.71Å; R293-E304 IonicContact NE-OE2 2.76Å; R293-E304 PolarHBondContact NE-OE2 2.87Å; R293-E304 IonicContact NH2-OE1 3.59Å; R293-E304 PolarHBondContact NH2-OE1 2.91Å; R293-E304 IonicContact NH2-OE2 2.81Å; R293-E304 PolarHBondContact NH2-OE2 3.03Å; R293-V305 CarbonylContact C-O 3.56Å; R293-V305 VanDerWaalsContact CA-O 3.29Å; R293-V305 WeakPolarHBondContact CA-O 3.47Å; R293-I333 HydrophobicContact CG-CD1 4.31Å; R293-I333 VanDerWaalsContact CZ-CG1 3.42Å; R293-E336 IonicContact CZ-OE1 2.9Å; R293-E336 IonicContact CZ-OE2 2.71Å; R293-E336 IonicContact NH1-OE1 3.29Å; R293-E336 PolarHBondContact NH1-OE1 3.29Å; R293-E336 IonicContact NH1-OE2 3.22Å; R293-E336 PolarHBondContact NH1-OE2 2.87Å; R293-E336 IonicContact NH2-OE2 3.32Å; R293-E336 PolarHBondContact NH2-OE2 3.36Å |
| 294 | E | 97.2 | Very high | 91.6 | Very high | 57 Ų | 57 | 57.4 Ų | 57.4 | 27% | 0.266 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 144 | 173.6 | -173.6 | 174.3 | 158.1 | 0 | 0 | 109.8 | Q190 R290 V305 H307 | Q190-E294 PolarHBondContact NE2-OE1 3.16Å; Q190-E294 PolarHBondContact NE2-OE2 2.91Å; Q190-E294 PolarHBondContact OE1-OE2 3.2Å; R290-E294 IonicContact CZ-OE2 2.7Å; R290-E294 IonicContact NH2-OE2 3.58Å; R290-E294 PolarHBondContact NH2-OE2 2.85Å; E294-V305 HydrophobicContact CB-CB 4.41Å; E294-V305 PolarHBondContact N-O 2.81Å; E294-V305 PolarHBondContact O-N 3.05Å; E294-H307 IonicContact OE2-CD2 3.78Å; E294-H307 IonicContact OE2-NE2 3.47Å; E294-H307 PolarHBondContact OE2-NE2 2.87Å |
| 295 | Q | 94.7 | Very high | 91.6 | Very high | 101 Ų | 101 | 56.7 Ų | 56.7 | 47% | 0.472 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 119.4 | 175.5 | -76.2 | -175.9 | -24.7 | 0 | 0 | 110.5 | E304 | Q295-E304 WeakPolarHBondContact CG-OE2 3.4Å; Q295-E304 PolarHBondContact NE2-OE1 2.79Å |
| 296 | L | 90.4 | Very high | 91.6 | Very high | 38 Ų | 38 | 55.4 Ų | 55.4 | 20% | 0.199 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 120.1 | 175.2 | -169.4 | 76.8 | 0 | 0 | 0 | 110.1 | F167 A171 T298 T303 V305 | F167-L296 HydrophobicContact CB-CD2 3.56Å; A171-L296 HydrophobicContact CB-CD2 4.46Å; L296-T298 HydrophobicContact CD2-CG2 3.49Å; L296-T298 VanDerWaalsContact CD2-CG2 3.49Å; L296-T298 HydrophobicContact CG-CG2 3.75Å; L296-T303 PolarHBondContact N-O 2.91Å; L296-T303 PolarHBondContact O-N 2.88Å; L296-V305 HydrophobicContact CB-CG2 4.12Å |
| 297 | R | 85.7 | Confident | 91.6 | Very high | 200 Ų | 200 | 53.8 Ų | 53.8 | 76% | 0.755 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 104.8 | 173.5 | -64.6 | -173.9 | -176.9 | -176.6 | 1 | 109.6 | ||
| 298 | T | 74 | Confident | 91.7 | Very high | 13 Ų | 13 | 50.3 Ų | 50.3 | 8% | 0.08 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 95.6 | 176.1 | 54.5 | 0 | 0 | 0 | 0 | 108.8 | E168 A171 L296 S301 | E168-T298 HydrophobicContact CB-CG2 4.15Å; E168-T298 HydrophobicContact CG-CG2 3.78Å; A171-T298 HydrophobicContact CB-CG2 3.96Å; L296-T298 HydrophobicContact CD2-CG2 3.49Å; L296-T298 VanDerWaalsContact CD2-CG2 3.49Å; L296-T298 HydrophobicContact CG-CG2 3.75Å; T298-S301 PolarHBondContact N-O 2.9Å; T298-S301 PolarHBondContact O-OG 2.79Å |
| 299 | G | 74.2 | Confident | 91.8 | Very high | 65 Ų | 65 | 46.3 Ų | 46.3 | 67% | 0.67 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | -136 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S301 | G299-S301 VanDerWaalsContact C-N 3.32Å; G299-S301 PolarHBondContact O-N 2.99Å |
| 300 | P | 72.2 | Confident | 91.8 | Very high | 141 Ų | 141 | 46.1 Ų | 46.1 | 92% | 0.916 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -10.4 | -175.5 | 32.7 | -35.4 | 0 | 0 | 0 | 114.2 | ||
| 301 | S | 74.3 | Confident | 91.8 | Very high | 62 Ų | 62 | 45.2 Ų | 45.2 | 43% | 0.434 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.2 | -176.5 | 52.8 | 0 | 0 | 0 | 0 | 112 | T298 G299 | T298-S301 PolarHBondContact N-O 2.9Å; T298-S301 PolarHBondContact O-OG 2.79Å; G299-S301 VanDerWaalsContact C-N 3.32Å; G299-S301 PolarHBondContact O-N 2.99Å |
| 302 | N | 87.7 | Confident | 91.8 | Very high | 82 Ų | 82 | 44.4 Ų | 44.4 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 123.4 | 169.5 | -70.6 | -4.2 | 0 | 0 | 0 | 109.7 | ||
| 303 | T | 94.5 | Very high | 91.7 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.018 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133.3 | 170.5 | -57.8 | 0 | 0 | 0 | 0 | 108.6 | A171 A175 I178 L296 | A171-T303 HydrophobicContact CB-CG2 4.08Å; A171-T303 VanDerWaalsContact CB-OG1 3.27Å; A171-T303 WeakPolarHBondContact CB-OG1 3.39Å; A175-T303 WeakPolarHBondContact O-CG2 3.5Å; I178-T303 HydrophobicContact CD1-CG2 3.8Å; I178-T303 HydrophobicContact CG1-CG2 3.92Å; L296-T303 PolarHBondContact N-O 2.91Å; L296-T303 PolarHBondContact O-N 2.88Å |
| 304 | E | 97.2 | Very high | 91.7 | Very high | 9 Ų | 9 | 39.5 Ų | 39.5 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 136.9 | 176 | -63.9 | -68.3 | 171.3 | 0 | 0 | 109.5 | D176 V177 I178 R293 Q295 I333 | D176-E304 PolarHBondContact O-N 3.18Å; V177-E304 CarbonylContact C-O 3.5Å; V177-E304 VanDerWaalsContact CA-O 3.27Å; V177-E304 WeakPolarHBondContact CA-O 3.33Å; V177-E304 HydrophobicContact CG1-CB 4.38Å; V177-E304 HydrophobicContact CG2-CB 4.23Å; I178-E304 PolarHBondContact N-O 2.87Å; R293-E304 IonicContact CZ-OE1 2.72Å; R293-E304 IonicContact CZ-OE2 3.91Å; R293-E304 IonicContact NE-OE1 2.71Å; R293-E304 IonicContact NE-OE2 2.76Å; R293-E304 PolarHBondContact NE-OE2 2.87Å; R293-E304 IonicContact NH2-OE1 3.59Å; R293-E304 PolarHBondContact NH2-OE1 2.91Å; R293-E304 IonicContact NH2-OE2 2.81Å; R293-E304 PolarHBondContact NH2-OE2 3.03Å; Q295-E304 WeakPolarHBondContact CG-OE2 3.4Å; Q295-E304 PolarHBondContact NE2-OE1 2.79Å; E304-I333 HydrophobicContact CB-CD1 3.83Å; E304-I333 HydrophobicContact CB-CG1 4.38Å; E304-I333 HydrophobicContact CB-CG2 4.43Å; E304-I333 HydrophobicContact CG-CD1 4.19Å; E304-I333 HydrophobicContact CG-CG1 4.17Å; E304-I333 HydrophobicContact CG-CG2 3.9Å |
| 305 | V | 98.3 | Very high | 91.8 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 130.2 | 174.2 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | F167 I178 N180 R293 E294 L296 | F167-V305 HydrophobicContact CE1-CG1 4.5Å; I178-V305 HydrophobicContact CB-CG2 4.38Å; I178-V305 CarbonylContact O-C 3.51Å; I178-V305 VanDerWaalsContact O-CA 3.27Å; I178-V305 WeakPolarHBondContact O-CA 3.47Å; N180-V305 HydrophobicContact CB-CG1 4.33Å; R293-V305 CarbonylContact C-O 3.56Å; R293-V305 VanDerWaalsContact CA-O 3.29Å; R293-V305 WeakPolarHBondContact CA-O 3.47Å; E294-V305 HydrophobicContact CB-CB 4.41Å; E294-V305 PolarHBondContact N-O 2.81Å; E294-V305 PolarHBondContact O-N 3.05Å; L296-V305 HydrophobicContact CB-CG2 4.12Å |
| 306 | I | 98.8 | Very high | 92 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 111.3 | 168.8 | -57.2 | 174.1 | 0 | 0 | 0 | 106.9 | V177 I178 V179 N180 E292 A326 L329 F330 I333 | V177-I306 HydrophobicContact CG1-CD1 4.17Å; V177-I306 HydrophobicContact CG1-CG1 4.32Å; I178-I306 PolarHBondContact O-N 3.09Å; V179-I306 CarbonylContact C-O 3.48Å; V179-I306 WeakPolarHBondContact CA-O 3.32Å; V179-I306 HydrophobicContact CG1-CB 4.47Å; N180-I306 PolarHBondContact N-O 3.01Å; E292-I306 CarbonylContact O-C 3Å; E292-I306 WeakPolarHBondContact O-CA 3.32Å; I306-A326 HydrophobicContact CG2-CB 4.22Å; I306-L329 HydrophobicContact CD1-CB 4.21Å; I306-L329 HydrophobicContact CG2-CD1 4.08Å; I306-F330 HydrophobicContact CD1-CB 3.96Å; I306-I333 HydrophobicContact CD1-CD1 3.89Å; I306-I333 HydrophobicContact CG1-CD1 3.98Å |
| 307 | H | 98.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 136.6 | 172.7 | -62.3 | -73.2 | 0 | 0 | 0 | 109.6 | N180 R290 L291 E292 E294 Y309 | N180-H307 PolarHBondContact ND2-ND1 2.84Å; R290-H307 HydrophobicContact CG-CB 4.03Å; R290-H307 CarbonylContact O-C 3.06Å; R290-H307 VanDerWaalsContact O-C 3.3Å; L291-H307 VanDerWaalsContact CA-O 3.27Å; L291-H307 WeakPolarHBondContact CA-O 3.31Å; L291-H307 WeakPolarHBondContact CD1-O 3.42Å; E292-H307 HydrophobicContact CG-CB 4.43Å; E292-H307 PolarHBondContact N-O 3.47Å; E292-H307 PolarHBondContact O-N 3.03Å; E294-H307 IonicContact OE2-CD2 3.78Å; E294-H307 IonicContact OE2-NE2 3.47Å; E294-H307 PolarHBondContact OE2-NE2 2.87Å; H307-Y309 HydrophobicContact CB-CD1 4.17Å; H307-Y309 HydrophobicContact CB-CE1 3.91Å; H307-Y309 AromaticContact ND1-CE1 3.65Å |
| 308 | N | 98.9 | Very high | 93 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 81.2 | 170.1 | -171.1 | 1.8 | 0 | 0 | 0 | 108.3 | I11 T15 N180 C181 R290 L291 H311 | I11-N308 HydrophobicContact CG2-CB 4.06Å; I11-N308 WeakPolarHBondContact CG2-ND2 3.08Å; I11-N308 VanDerWaalsContact CG2-O 3.31Å; I11-N308 WeakPolarHBondContact CG2-O 3.41Å; T15-N308 PolarHBondContact OG1-ND2 3.31Å; N180-N308 CarbonylContact O-C 3.53Å; N180-N308 PolarHBondContact O-N 2.79Å; C181-N308 WeakPolarHBondContact CA-O 3.47Å; R290-N308 WeakPolarHBondContact O-CA 3.32Å; R290-N308 PolarHBondContact O-N 3.45Å; L291-N308 HydrophobicContact CD1-CB 3.69Å; N308-H311 PolarHBondContact O-CE1 3Å; N308-H311 PolarHBondContact OD1-CE1 3.01Å; N308-H311 PolarHBondContact OD1-NE2 3.22Å |
| 309 | Y | 98.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 172.9 | 179.3 | 68.1 | -96.1 | 0 | 0 | 0 | 111.5 | A186 D192 L195 R290 H307 H311 | A186-Y309 HydrophobicContact CB-CD1 3.76Å; A186-Y309 HydrophobicContact CB-CD2 3.63Å; A186-Y309 HydrophobicContact CB-CE1 3.71Å; A186-Y309 HydrophobicContact CB-CE2 3.61Å; A186-Y309 HydrophobicContact CB-CG 3.71Å; D192-Y309 VanDerWaalsContact OD2-CE2 3.27Å; D192-Y309 WeakPolarHBondContact OD2-CE2 3.15Å; D192-Y309 PolarHBondContact OD2-OH 3.42Å; L195-Y309 HydrophobicContact CD1-CD2 4.3Å; L195-Y309 HydrophobicContact CD2-CD2 3.99Å; L195-Y309 HydrophobicContact CD2-CE2 3.94Å; R290-Y309 HydrophobicContact CB-CD2 4.47Å; R290-Y309 HydrophobicContact CB-CE1 4.19Å; R290-Y309 HydrophobicContact CB-CE2 4.1Å; R290-Y309 WeakPolarHBondContact CD-OH 3.45Å; R290-Y309 HydrophobicContact CG-CE1 4.37Å; R290-Y309 PolarHBondContact N-O 2.96Å; R290-Y309 PolarHBondContact NH1-OH 2.91Å; R290-Y309 PolarHBondContact O-N 3.07Å; H307-Y309 HydrophobicContact CB-CD1 4.17Å; H307-Y309 HydrophobicContact CB-CE1 3.91Å; H307-Y309 AromaticContact ND1-CE1 3.65Å; Y309-H311 WeakPolarHBondContact CA-CE1 3.37Å; Y309-H311 PolarHBondContact N-CE1 3.45Å |
| 310 | G | 98.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 93.5 | 25 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | P284 G312 | P284-G310 CarbonylContact O-C 3.54Å; P284-G310 WeakPolarHBondContact O-CA 3.48Å; G310-G312 VanDerWaalsContact C-N 3.25Å; G310-G312 PolarHBondContact O-N 3.18Å |
| 311 | H | 98.6 | Very high | 96.6 | Very high | 2 Ų | 2 | 12.7 Ų | 12.7 | 1% | 0.009 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 9.9 | -174.4 | -46.6 | 79.1 | 0 | 0 | 0 | 115.8 | P284 I289 N308 Y309 G313 Y314 G315 I318 | P284-H311 PolarHBondContact O-N 3.1Å; I289-H311 HydrophobicContact CD1-CB 4.44Å; I289-H311 VanDerWaalsContact CD1-CD2 3.46Å; I289-H311 WeakPolarHBondContact CD1-CD2 3.48Å; I289-H311 HydrophobicContact CG1-CB 4.48Å; N308-H311 PolarHBondContact O-CE1 3Å; N308-H311 PolarHBondContact OD1-CE1 3.01Å; N308-H311 PolarHBondContact OD1-NE2 3.22Å; Y309-H311 WeakPolarHBondContact CA-CE1 3.37Å; Y309-H311 PolarHBondContact N-CE1 3.45Å; H311-G313 PolarHBondContact O-N 3.41Å; H311-Y314 WeakPolarHBondContact O-CD1 3.27Å; H311-Y314 VanDerWaalsContact O-CE1 3.28Å; H311-Y314 WeakPolarHBondContact O-CE1 3.42Å; H311-Y314 PolarHBondContact O-N 2.92Å; H311-Y314 VanDerWaalsContact O-N 3.09Å; H311-G315 PolarHBondContact O-N 3.25Å; H311-I318 HydrophobicContact CB-CG2 4.34Å |
| 312 | G | 97.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 9.7 Ų | 9.7 | 7% | 0.072 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | -131.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | R283 P284 G310 | R283-G312 WeakPolarHBondContact CB-O 3.49Å; P284-G312 WeakPolarHBondContact CD-O 3.33Å; P284-G312 WeakPolarHBondContact O-CA 3.34Å; P284-G312 PolarHBondContact O-N 3.12Å; G310-G312 VanDerWaalsContact C-N 3.25Å; G310-G312 PolarHBondContact O-N 3.18Å |
| 313 | G | 97.4 | Very high | 98.3 | Very high | 27 Ų | 27 | 5.8 Ų | 5.8 | 28% | 0.278 | 4% | 0.039 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 6.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y55 H311 | Y55-G313 PolarHBondContact OH-N 3.39Å; H311-G313 PolarHBondContact O-N 3.41Å |
| 314 | Y | 97.6 | Very high | 98.5 | Very high | 19 Ų | 19 | 8.4 Ų | 8.4 | 8% | 0.075 | 5% | 0.053 | C | C | . | . | trans | -124.3 | 22.7 | -171.8 | 57.2 | -81.4 | 0 | 0 | 0 | 112.4 | Y55 E64 I289 H311 L316 T317 I318 | Y55-Y314 AromaticContact CD1-CD1 3.93Å; Y55-Y314 HydrophobicContact CD1-CD1 3.93Å; Y55-Y314 HydrophobicContact CD2-CD1 4.11Å; Y55-Y314 HydrophobicContact CD2-CE1 4.01Å; Y55-Y314 AromaticContact CE1-CD1 3.53Å; Y55-Y314 HydrophobicContact CE1-CD1 3.53Å; Y55-Y314 HydrophobicContact CE1-CE1 4.26Å; Y55-Y314 HydrophobicContact CE1-CG 4.45Å; Y55-Y314 AromaticContact CE2-CD1 3.72Å; Y55-Y314 HydrophobicContact CE2-CD1 3.72Å; Y55-Y314 AromaticContact CE2-CE1 3.56Å; Y55-Y314 HydrophobicContact CE2-CE1 3.56Å; Y55-Y314 HydrophobicContact CG-CD1 4.24Å; Y55-Y314 AromaticContact CZ-CD1 3.44Å; Y55-Y314 VanDerWaalsContact CZ-CD1 3.44Å; Y55-Y314 AromaticContact CZ-CE1 3.73Å; E64-Y314 WeakPolarHBondContact OE2-CE2 3.3Å; E64-Y314 PolarHBondContact OE2-OH 3.12Å; I289-Y314 HydrophobicContact CD1-CE2 3.83Å; I289-Y314 HydrophobicContact CG1-CE2 4.46Å; H311-Y314 WeakPolarHBondContact O-CD1 3.27Å; H311-Y314 VanDerWaalsContact O-CE1 3.28Å; H311-Y314 WeakPolarHBondContact O-CE1 3.42Å; H311-Y314 PolarHBondContact O-N 2.92Å; H311-Y314 VanDerWaalsContact O-N 3.09Å; Y314-L316 PolarHBondContact O-N 3.16Å; Y314-T317 WeakPolarHBondContact O-CA 3.38Å; Y314-T317 VanDerWaalsContact O-CB 3.25Å; Y314-T317 WeakPolarHBondContact O-CB 3.21Å; Y314-T317 PolarHBondContact O-N 2.94Å; Y314-I318 HydrophobicContact CD2-CB 4.09Å; Y314-I318 HydrophobicContact CD2-CD1 4.02Å; Y314-I318 HydrophobicContact CD2-CG2 3.9Å; Y314-I318 HydrophobicContact CE2-CD1 3.79Å; Y314-I318 HydrophobicContact CE2-CG2 4.28Å; Y314-I318 VanDerWaalsContact O-CG2 3.31Å; Y314-I318 WeakPolarHBondContact O-CG2 3.4Å; Y314-I318 PolarHBondContact O-N 3.08Å; Y314-I318 VanDerWaalsContact O-N 3.1Å | ||
| 315 | G | 98.5 | Very high | 98.6 | Very high | 14 Ų | 14 | 9.5 Ų | 9.5 | 14% | 0.144 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -55.5 | -43.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | H311 H319 | H311-G315 PolarHBondContact O-N 3.25Å; G315-H319 VanDerWaalsContact O-CB 3.3Å; G315-H319 WeakPolarHBondContact O-CB 3.25Å; G315-H319 PolarHBondContact O-N 3.41Å; G315-H319 VanDerWaalsContact O-N 3.1Å |
| 316 | L | 98.7 | Very high | 98.6 | Very high | 14 Ų | 14 | 9.4 Ų | 9.4 | 7% | 0.073 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.1 | -39.2 | 174 | -71.8 | 171.7 | 0 | 0 | 0 | 111.9 | V10 T45 A48 L139 Y314 I318 H319 | V10-L316 HydrophobicContact CB-CD2 4.19Å; V10-L316 HydrophobicContact CG1-CD2 4.25Å; V10-L316 HydrophobicContact CG2-CD2 4.04Å; T45-L316 HydrophobicContact CG2-CD2 4.08Å; A48-L316 HydrophobicContact CB-CD1 3.56Å; A48-L316 HydrophobicContact CB-CG 4.38Å; L139-L316 HydrophobicContact CD2-CD2 3.99Å; L139-L316 HydrophobicContact CG-CD2 4.33Å; L139-L316 WeakPolarHBondContact O-CD1 3.4Å; Y314-L316 PolarHBondContact O-N 3.16Å; L316-I318 PolarHBondContact O-N 2.82Å; L316-H319 PolarHBondContact O-ND1 3.41Å |
| 317 | T | 98.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 9.4 Ų | 9.4 | 2% | 0.018 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61.5 | -29.6 | -180 | -49.4 | 0 | 0 | 0 | 0 | 113 | W52 Q53 P54 T71 Y314 | W52-T317 HydrophobicContact CD2-CG2 3.79Å; W52-T317 VanDerWaalsContact CE2-CG2 3.46Å; W52-T317 HydrophobicContact CE3-CG2 4.43Å; W52-T317 HydrophobicContact CG-CG2 4.06Å; W52-T317 HydrophobicContact CH2-CG2 4.42Å; W52-T317 HydrophobicContact CZ2-CG2 3.8Å; W52-T317 PolarHBondContact NE1-O 2.72Å; Q53-T317 VanDerWaalsContact C-CG2 3.48Å; Q53-T317 PolarHBondContact N-OG1 3.07Å; Q53-T317 PolarHBondContact O-OG1 3.06Å; Q53-T317 VanDerWaalsContact O-OG1 3.11Å; P54-T317 HydrophobicContact CB-CG2 4.41Å; P54-T317 HydrophobicContact CG-CG2 3.77Å; T71-T317 WeakPolarHBondContact CB-O 3.32Å; T71-T317 WeakPolarHBondContact CG2-O 3.32Å; Y314-T317 WeakPolarHBondContact O-CA 3.38Å; Y314-T317 VanDerWaalsContact O-CB 3.25Å; Y314-T317 WeakPolarHBondContact O-CB 3.21Å; Y314-T317 PolarHBondContact O-N 2.94Å |
| 318 | I | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -121.1 | -5.5 | -167.7 | -156.4 | 165.3 | 0 | 0 | 0 | 114.8 | E64 W67 T71 I289 H311 Y314 L316 W320 G321 C322 | E64-I318 HydrophobicContact CB-CD1 3.77Å; E64-I318 HydrophobicContact CG-CD1 4.25Å; E64-I318 VanDerWaalsContact O-CD1 3.3Å; E64-I318 WeakPolarHBondContact O-CD1 3.39Å; W67-I318 HydrophobicContact CB-CD1 4.01Å; W67-I318 HydrophobicContact CB-CG1 3.55Å; W67-I318 HydrophobicContact CE3-CD1 4.14Å; T71-I318 PolarHBondContact OG1-O 2.93Å; I289-I318 HydrophobicContact CD1-CD1 3.65Å; I289-I318 HydrophobicContact CD1-CG2 4.15Å; H311-I318 HydrophobicContact CB-CG2 4.34Å; Y314-I318 HydrophobicContact CD2-CB 4.09Å; Y314-I318 HydrophobicContact CD2-CD1 4.02Å; Y314-I318 HydrophobicContact CD2-CG2 3.9Å; Y314-I318 HydrophobicContact CE2-CD1 3.79Å; Y314-I318 HydrophobicContact CE2-CG2 4.28Å; Y314-I318 VanDerWaalsContact O-CG2 3.31Å; Y314-I318 WeakPolarHBondContact O-CG2 3.4Å; Y314-I318 PolarHBondContact O-N 3.08Å; Y314-I318 VanDerWaalsContact O-N 3.1Å; L316-I318 PolarHBondContact O-N 2.82Å; I318-W320 VanDerWaalsContact C-N 3.31Å; I318-W320 PolarHBondContact O-N 2.87Å; I318-W320 VanDerWaalsContact O-N 3.15Å; I318-G321 PolarHBondContact O-N 3.21Å; I318-C322 PolarHBondContact O-N 2.84Å |
| 319 | H | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -55 | -40.6 | -166.1 | 71.6 | -79.7 | 0 | 0 | 0 | 114.4 | V10 I11 Y144 G315 L316 C322 A323 | V10-H319 HydrophobicContact CG1-CB 4.32Å; V10-H319 HydrophobicContact CG2-CB 3.73Å; I11-H319 HydrophobicContact CD1-CB 3.84Å; Y144-H319 AromaticContact CE1-CD2 3.93Å; Y144-H319 AromaticContact CE1-CE1 3.72Å; Y144-H319 AromaticContact CE1-NE2 3.36Å; Y144-H319 WeakPolarHBondContact CE1-NE2 3.44Å; Y144-H319 AromaticContact CZ-NE2 3.5Å; Y144-H319 PolarHBondContact OH-NE2 3.07Å; G315-H319 VanDerWaalsContact O-CB 3.3Å; G315-H319 WeakPolarHBondContact O-CB 3.25Å; G315-H319 PolarHBondContact O-N 3.41Å; G315-H319 VanDerWaalsContact O-N 3.1Å; L316-H319 PolarHBondContact O-ND1 3.41Å; H319-C322 PolarHBondContact O-N 3.01Å; H319-A323 WeakPolarHBondContact O-CB 3.15Å; H319-A323 PolarHBondContact O-N 2.63Å |
| 320 | W | 98.8 | Very high | 98.6 | Very high | 21 Ų | 21 | 14.4 Ų | 14.4 | 8% | 0.08 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -76.7 | -40.3 | -170.9 | -167.8 | -107.7 | 0 | 0 | 0 | 111.7 | C18 T71 Y74 I318 C322 A323 L324 | C18-W320 HydrophobicContact CB-CH2 4.23Å; C18-W320 HydrophobicContact CB-CZ3 4.36Å; T71-W320 HydrophobicContact CG2-CB 4.06Å; T71-W320 PolarHBondContact OG1-N 3.43Å; Y74-W320 HydrophobicContact CD1-CB 3.98Å; Y74-W320 AromaticContact CD1-CD1 3.9Å; Y74-W320 AromaticContact CD1-CD2 3.84Å; Y74-W320 HydrophobicContact CD1-CD2 3.84Å; Y74-W320 HydrophobicContact CD1-CE3 4.39Å; Y74-W320 AromaticContact CD1-CG 3.62Å; Y74-W320 HydrophobicContact CD1-CG 3.62Å; Y74-W320 AromaticContact CD2-CD1 3.66Å; Y74-W320 AromaticContact CD2-CD2 3.92Å; Y74-W320 HydrophobicContact CD2-CD2 3.92Å; Y74-W320 AromaticContact CD2-CE2 3.43Å; Y74-W320 VanDerWaalsContact CD2-CE2 3.43Å; Y74-W320 HydrophobicContact CD2-CG 4.05Å; Y74-W320 AromaticContact CD2-CZ2 3.92Å; Y74-W320 HydrophobicContact CD2-CZ2 3.92Å; Y74-W320 AromaticContact CD2-NE1 3.24Å; Y74-W320 AromaticContact CE1-CD2 3.85Å; Y74-W320 HydrophobicContact CE1-CD2 3.85Å; Y74-W320 AromaticContact CE1-CE3 3.97Å; Y74-W320 HydrophobicContact CE1-CE3 3.97Å; Y74-W320 HydrophobicContact CE1-CG 4.13Å; Y74-W320 HydrophobicContact CE1-CZ3 4.49Å; Y74-W320 AromaticContact CE2-CD2 3.91Å; Y74-W320 HydrophobicContact CE2-CD2 3.91Å; Y74-W320 AromaticContact CE2-CE2 3.44Å; Y74-W320 VanDerWaalsContact CE2-CE2 3.44Å; Y74-W320 HydrophobicContact CE2-CE3 4.34Å; Y74-W320 HydrophobicContact CE2-CG 4.48Å; Y74-W320 AromaticContact CE2-CH2 3.99Å; Y74-W320 HydrophobicContact CE2-CH2 3.99Å; Y74-W320 AromaticContact CE2-CZ2 3.5Å; Y74-W320 HydrophobicContact CE2-CZ2 3.5Å; Y74-W320 VanDerWaalsContact CE2-CZ2 3.5Å; Y74-W320 HydrophobicContact CE2-CZ3 4.39Å; Y74-W320 AromaticContact CE2-NE1 3.79Å; Y74-W320 HydrophobicContact CG-CB 4.29Å; Y74-W320 AromaticContact CG-CD1 3.35Å; Y74-W320 AromaticContact CG-CD2 3.87Å; Y74-W320 HydrophobicContact CG-CD2 3.87Å; Y74-W320 AromaticContact CG-CE2 3.84Å; Y74-W320 AromaticContact CG-CG 3.58Å; Y74-W320 HydrophobicContact CG-CG 3.58Å; Y74-W320 AromaticContact CG-NE1 3.49Å; Y74-W320 AromaticContact CZ-CD2 3.88Å; Y74-W320 AromaticContact CZ-CE2 3.9Å; Y74-W320 AromaticContact CZ-CE3 3.94Å; Y74-W320 AromaticContact CZ-CZ2 3.99Å; I318-W320 VanDerWaalsContact C-N 3.31Å; I318-W320 PolarHBondContact O-N 2.87Å; I318-W320 VanDerWaalsContact O-N 3.15Å; W320-C322 VanDerWaalsContact C-N 3.32Å; W320-C322 PolarHBondContact O-N 2.76Å; W320-A323 HydrophobicContact CE3-CB 4.48Å; W320-A323 WeakPolarHBondContact O-CB 3.23Å; W320-A323 PolarHBondContact O-N 3.32Å; W320-A323 VanDerWaalsContact O-N 3.15Å; W320-L324 WeakPolarHBondContact O-CG 3.18Å; W320-L324 PolarHBondContact O-N 2.93Å |
| 321 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -59.5 | -43.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W67 T71 I318 A323 L324 E325 | W67-G321 WeakPolarHBondContact O-CA 3.4Å; T71-G321 PolarHBondContact OG1-N 2.78Å; I318-G321 PolarHBondContact O-N 3.21Å; G321-A323 PolarHBondContact O-N 2.75Å; G321-L324 PolarHBondContact O-N 2.78Å; G321-E325 PolarHBondContact O-N 2.82Å |
| 322 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.6 | -39.2 | 173.2 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | L291 I318 H319 W320 E325 A326 | L291-C322 HydrophobicContact CD2-CB 4.13Å; I318-C322 PolarHBondContact O-N 2.84Å; H319-C322 PolarHBondContact O-N 3.01Å; W320-C322 VanDerWaalsContact C-N 3.32Å; W320-C322 PolarHBondContact O-N 2.76Å; C322-E325 PolarHBondContact O-N 3.22Å; C322-A326 WeakPolarHBondContact O-CB 3.49Å; C322-A326 PolarHBondContact O-N 3.3Å |
| 323 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | C18 H319 W320 G321 A326 A327 | C18-A323 HydrophobicContact CB-CB 3.88Å; H319-A323 WeakPolarHBondContact O-CB 3.15Å; H319-A323 PolarHBondContact O-N 2.63Å; W320-A323 HydrophobicContact CE3-CB 4.48Å; W320-A323 WeakPolarHBondContact O-CB 3.23Å; W320-A323 PolarHBondContact O-N 3.32Å; W320-A323 VanDerWaalsContact O-N 3.15Å; G321-A323 PolarHBondContact O-N 2.75Å; A323-A326 PolarHBondContact O-N 3.41Å; A323-A327 WeakPolarHBondContact O-CB 3.24Å; A323-A327 PolarHBondContact O-N 2.73Å |
| 324 | L | 98.8 | Very high | 98.3 | Very high | 58 Ų | 58 | 19.1 Ų | 19.1 | 30% | 0.304 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -62.5 | -45.4 | 174.9 | -72.9 | 168.3 | 0 | 0 | 0 | 111.8 | Q70 W320 G321 A327 K328 | Q70-L324 HydrophobicContact CB-CD1 4.37Å; W320-L324 WeakPolarHBondContact O-CG 3.18Å; W320-L324 PolarHBondContact O-N 2.93Å; G321-L324 PolarHBondContact O-N 2.78Å; L324-A327 PolarHBondContact O-N 2.96Å; L324-K328 PolarHBondContact O-N 3.34Å |
| 325 | E | 98.8 | Very high | 98.1 | Very high | 31 Ų | 31 | 24.3 Ų | 24.3 | 15% | 0.145 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.7 | -38 | 178.1 | -175.4 | 66.6 | -148.4 | 0 | 0 | 111.6 | W67 L291 G321 C322 A327 K328 L329 | W67-E325 HydrophobicContact CZ2-CB 4.37Å; W67-E325 HydrophobicContact CZ2-CG 4.04Å; L291-E325 HydrophobicContact CD2-CB 3.73Å; L291-E325 HydrophobicContact CD2-CG 3.85Å; L291-E325 HydrophobicContact CG-CG 4.38Å; G321-E325 PolarHBondContact O-N 2.82Å; C322-E325 PolarHBondContact O-N 3.22Å; E325-A327 VanDerWaalsContact C-N 3.34Å; E325-A327 PolarHBondContact O-N 3.47Å; E325-K328 WeakPolarHBondContact O-CB 3.4Å; E325-K328 PolarHBondContact O-N 3.19Å; E325-K328 VanDerWaalsContact O-N 3.15Å; E325-K328 IonicContact OE1-NZ 2.71Å; E325-K328 PolarHBondContact OE1-NZ 2.9Å; E325-K328 WeakPolarHBondContact OE2-CD 3.22Å; E325-K328 IonicContact OE2-NZ 3.18Å; E325-K328 PolarHBondContact OE2-NZ 3.06Å; E325-L329 WeakPolarHBondContact O-CG 3.46Å; E325-L329 PolarHBondContact O-N 3.05Å |
| 326 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.6 | -43.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T15 L291 I306 C322 A323 K328 L329 F330 | T15-A326 HydrophobicContact CG2-CB 3.6Å; L291-A326 HydrophobicContact CD1-CB 4.1Å; I306-A326 HydrophobicContact CG2-CB 4.22Å; C322-A326 WeakPolarHBondContact O-CB 3.49Å; C322-A326 PolarHBondContact O-N 3.3Å; A323-A326 PolarHBondContact O-N 3.41Å; A326-K328 VanDerWaalsContact C-N 3.3Å; A326-K328 PolarHBondContact O-N 2.8Å; A326-L329 PolarHBondContact O-N 3.16Å; A326-F330 PolarHBondContact O-N 3.1Å |
| 327 | A | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65 | -33.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I19 Y23 A323 L324 E325 F330 G331 | I19-A327 HydrophobicContact CG1-CB 4.11Å; Y23-A327 HydrophobicContact CE2-CB 4.22Å; Y23-A327 WeakPolarHBondContact CE2-O 3.33Å; Y23-A327 VanDerWaalsContact CZ-O 3.29Å; Y23-A327 PolarHBondContact OH-O 3.02Å; A323-A327 WeakPolarHBondContact O-CB 3.24Å; A323-A327 PolarHBondContact O-N 2.73Å; L324-A327 PolarHBondContact O-N 2.96Å; E325-A327 VanDerWaalsContact C-N 3.34Å; E325-A327 PolarHBondContact O-N 3.47Å; A327-F330 WeakPolarHBondContact O-CB 3.38Å; A327-F330 PolarHBondContact O-N 2.67Å; A327-G331 PolarHBondContact O-N 3.14Å |
| 328 | K | 98.5 | Very high | 96.6 | Very high | 89 Ų | 89 | 35.2 Ų | 35.2 | 39% | 0.387 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -68.5 | -42 | 173.2 | 178 | -179.6 | 160.2 | -153.7 | 0 | 112.2 | L324 E325 A326 F330 G331 R332 | L324-K328 PolarHBondContact O-N 3.34Å; E325-K328 WeakPolarHBondContact O-CB 3.4Å; E325-K328 PolarHBondContact O-N 3.19Å; E325-K328 VanDerWaalsContact O-N 3.15Å; E325-K328 IonicContact OE1-NZ 2.71Å; E325-K328 PolarHBondContact OE1-NZ 2.9Å; E325-K328 WeakPolarHBondContact OE2-CD 3.22Å; E325-K328 IonicContact OE2-NZ 3.18Å; E325-K328 PolarHBondContact OE2-NZ 3.06Å; A326-K328 VanDerWaalsContact C-N 3.3Å; A326-K328 PolarHBondContact O-N 2.8Å; K328-F330 VanDerWaalsContact C-N 3.3Å; K328-F330 PolarHBondContact O-N 3.03Å; K328-G331 PolarHBondContact O-N 3.38Å; K328-G331 VanDerWaalsContact O-N 3.15Å; K328-R332 PolarHBondContact O-N 2.58Å; K328-R332 VanDerWaalsContact O-N 3.08Å |
| 329 | L | 98.6 | Very high | 95.6 | Very high | 17 Ų | 17 | 40.9 Ų | 40.9 | 9% | 0.089 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.2 | -40.9 | 171.6 | -67.2 | 177.9 | 0 | 0 | 0 | 111.5 | I306 E325 A326 G331 R332 I333 | I306-L329 HydrophobicContact CD1-CB 4.21Å; I306-L329 HydrophobicContact CG2-CD1 4.08Å; E325-L329 WeakPolarHBondContact O-CG 3.46Å; E325-L329 PolarHBondContact O-N 3.05Å; A326-L329 PolarHBondContact O-N 3.16Å; L329-G331 VanDerWaalsContact C-N 3.34Å; L329-G331 PolarHBondContact O-N 2.85Å; L329-R332 PolarHBondContact O-N 2.89Å; L329-I333 PolarHBondContact O-N 3.2Å; L329-I333 VanDerWaalsContact O-N 3.12Å |
| 330 | F | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -42.7 | 172.6 | -176.5 | -97.2 | 0 | 0 | 0 | 112.2 | M1 V3 I19 Y23 L27 L30 V177 I306 A326 A327 K328 R332 I333 L334 | M1-F330 HydrophobicContact CB-CZ 4.48Å; M1-F330 HydrophobicContact CG-CE2 4.04Å; M1-F330 HydrophobicContact CG-CZ 3.91Å; V3-F330 HydrophobicContact CG2-CE2 3.5Å; V3-F330 HydrophobicContact CG2-CZ 3.78Å; I19-F330 HydrophobicContact CG2-CD1 3.99Å; I19-F330 HydrophobicContact CG2-CE1 3.92Å; I19-F330 HydrophobicContact CG2-CE2 4.49Å; I19-F330 HydrophobicContact CG2-CG 4.25Å; I19-F330 HydrophobicContact CG2-CZ 4.2Å; Y23-F330 AromaticContact CD2-CD1 3.42Å; Y23-F330 HydrophobicContact CD2-CD1 3.42Å; Y23-F330 VanDerWaalsContact CD2-CD1 3.42Å; Y23-F330 AromaticContact CD2-CE1 3.76Å; Y23-F330 HydrophobicContact CD2-CE1 3.76Å; Y23-F330 HydrophobicContact CE2-CB 4.44Å; Y23-F330 AromaticContact CE2-CD1 3.57Å; Y23-F330 HydrophobicContact CE2-CD1 3.57Å; Y23-F330 HydrophobicContact CE2-CE1 4.35Å; Y23-F330 HydrophobicContact CE2-CG 4.46Å; Y23-F330 AromaticContact CG-CD1 3.94Å; Y23-F330 HydrophobicContact CG-CD1 3.94Å; Y23-F330 AromaticContact CG-CE1 3.91Å; Y23-F330 HydrophobicContact CG-CE1 3.91Å; L27-F330 HydrophobicContact CD2-CE1 4.31Å; L27-F330 HydrophobicContact CD2-CZ 4.27Å; L30-F330 HydrophobicContact CD1-CZ 4.1Å; V177-F330 HydrophobicContact CB-CD2 4.47Å; V177-F330 HydrophobicContact CB-CE2 4.23Å; V177-F330 HydrophobicContact CG1-CD2 4.17Å; V177-F330 HydrophobicContact CG1-CE2 4.42Å; V177-F330 HydrophobicContact CG2-CD2 4.19Å; V177-F330 HydrophobicContact CG2-CE2 3.86Å; I306-F330 HydrophobicContact CD1-CB 3.96Å; A326-F330 PolarHBondContact O-N 3.1Å; A327-F330 WeakPolarHBondContact O-CB 3.38Å; A327-F330 PolarHBondContact O-N 2.67Å; K328-F330 VanDerWaalsContact C-N 3.3Å; K328-F330 PolarHBondContact O-N 3.03Å; F330-R332 PolarHBondContact O-N 3.49Å; F330-I333 WeakPolarHBondContact O-CB 3.09Å; F330-I333 PolarHBondContact O-N 2.77Å; F330-L334 HydrophobicContact CD1-CD1 4.01Å; F330-L334 HydrophobicContact CD1-CG 4.14Å; F330-L334 HydrophobicContact CE1-CD1 3.66Å; F330-L334 HydrophobicContact CE1-CD2 3.99Å; F330-L334 HydrophobicContact CE1-CG 3.9Å; F330-L334 HydrophobicContact CZ-CD1 4.48Å; F330-L334 HydrophobicContact CZ-CD2 4.01Å; F330-L334 HydrophobicContact CZ-CG 4.38Å; F330-L334 WeakPolarHBondContact O-CG 3.29Å; F330-L334 PolarHBondContact O-N 3.01Å |
| 331 | G | 97.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 54.2 Ų | 54.2 | 5% | 0.052 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.9 | -45.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y23 A327 K328 L329 I333 L334 E335 | Y23-G331 WeakPolarHBondContact OH-CA 3.43Å; Y23-G331 PolarHBondContact OH-N 3.3Å; A327-G331 PolarHBondContact O-N 3.14Å; K328-G331 PolarHBondContact O-N 3.38Å; K328-G331 VanDerWaalsContact O-N 3.15Å; L329-G331 VanDerWaalsContact C-N 3.34Å; L329-G331 PolarHBondContact O-N 2.85Å; G331-I333 VanDerWaalsContact C-N 3.34Å; G331-I333 PolarHBondContact O-N 3.36Å; G331-L334 WeakPolarHBondContact O-CB 3.23Å; G331-L334 PolarHBondContact O-N 2.82Å; G331-L334 VanDerWaalsContact O-N 3.07Å; G331-E335 WeakPolarHBondContact O-CG 3.27Å; G331-E335 PolarHBondContact O-N 3.09Å |
| 332 | R | 97.4 | Very high | 91.8 | Very high | 118 Ų | 118 | 60.4 Ų | 60.4 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60 | -41.8 | 175.4 | -67.1 | 177.4 | 179.6 | 168.4 | -1.9 | 112.2 | K328 L329 F330 L334 E335 E336 | K328-R332 PolarHBondContact O-N 2.58Å; K328-R332 VanDerWaalsContact O-N 3.08Å; L329-R332 PolarHBondContact O-N 2.89Å; F330-R332 PolarHBondContact O-N 3.49Å; R332-L334 VanDerWaalsContact C-N 3.29Å; R332-L334 PolarHBondContact O-N 3Å; R332-E335 PolarHBondContact O-N 2.96Å; R332-E336 WeakPolarHBondContact O-CG 3.25Å; R332-E336 PolarHBondContact O-N 2.89Å |
| 333 | I | 96.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 173.9 | -70.5 | 159.3 | 0 | 0 | 0 | 111 | V177 R293 E304 I306 L329 F330 G331 K337 | V177-I333 HydrophobicContact CG1-CD1 4.45Å; V177-I333 HydrophobicContact CG2-CG2 4.14Å; R293-I333 HydrophobicContact CG-CD1 4.31Å; R293-I333 VanDerWaalsContact CZ-CG1 3.42Å; E304-I333 HydrophobicContact CB-CD1 3.83Å; E304-I333 HydrophobicContact CB-CG1 4.38Å; E304-I333 HydrophobicContact CB-CG2 4.43Å; E304-I333 HydrophobicContact CG-CD1 4.19Å; E304-I333 HydrophobicContact CG-CG1 4.17Å; E304-I333 HydrophobicContact CG-CG2 3.9Å; I306-I333 HydrophobicContact CD1-CD1 3.89Å; I306-I333 HydrophobicContact CG1-CD1 3.98Å; L329-I333 PolarHBondContact O-N 3.2Å; L329-I333 VanDerWaalsContact O-N 3.12Å; F330-I333 WeakPolarHBondContact O-CB 3.09Å; F330-I333 PolarHBondContact O-N 2.77Å; G331-I333 VanDerWaalsContact C-N 3.34Å; G331-I333 PolarHBondContact O-N 3.36Å; I333-K337 HydrophobicContact CG2-CD 4.1Å; I333-K337 WeakPolarHBondContact O-CB 3.24Å; I333-K337 WeakPolarHBondContact O-CG 3.36Å; I333-K337 PolarHBondContact O-N 2.9Å |
| 334 | L | 94.9 | Very high | 88 | Confident | 13 Ų | 13 | 70.4 Ų | 70.4 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 177.6 | -62.5 | -177.6 | 0 | 0 | 0 | 112.1 | M1 Y23 L27 F330 G331 R332 K337 K338 | M1-L334 HydrophobicContact CE-CD2 3.53Å; M1-L334 HydrophobicContact CG-CD2 4.34Å; Y23-L334 HydrophobicContact CD1-CD1 3.63Å; Y23-L334 HydrophobicContact CE1-CD1 4.03Å; Y23-L334 HydrophobicContact CG-CD1 4.11Å; L27-L334 HydrophobicContact CD1-CD2 4.27Å; L27-L334 HydrophobicContact CD2-CD1 3.82Å; L27-L334 HydrophobicContact CD2-CD2 3.5Å; L27-L334 HydrophobicContact CD2-CG 4.32Å; F330-L334 HydrophobicContact CD1-CD1 4.01Å; F330-L334 HydrophobicContact CD1-CG 4.14Å; F330-L334 HydrophobicContact CE1-CD1 3.66Å; F330-L334 HydrophobicContact CE1-CD2 3.99Å; F330-L334 HydrophobicContact CE1-CG 3.9Å; F330-L334 HydrophobicContact CZ-CD1 4.48Å; F330-L334 HydrophobicContact CZ-CD2 4.01Å; F330-L334 HydrophobicContact CZ-CG 4.38Å; F330-L334 WeakPolarHBondContact O-CG 3.29Å; F330-L334 PolarHBondContact O-N 3.01Å; G331-L334 WeakPolarHBondContact O-CB 3.23Å; G331-L334 PolarHBondContact O-N 2.82Å; G331-L334 VanDerWaalsContact O-N 3.07Å; R332-L334 VanDerWaalsContact C-N 3.29Å; R332-L334 PolarHBondContact O-N 3Å; L334-K337 PolarHBondContact O-N 3.43Å; L334-K338 WeakPolarHBondContact O-CG 3.47Å; L334-K338 PolarHBondContact O-N 2.94Å |
| 335 | E | 94.2 | Very high | 86.2 | Confident | 128 Ų | 128 | 72.9 Ų | 72.9 | 60% | 0.598 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.6 | -47.7 | 178.5 | -71.5 | 170.4 | -176.9 | 0 | 0 | 111.2 | G331 R332 K337 K338 L339 | G331-E335 WeakPolarHBondContact O-CG 3.27Å; G331-E335 PolarHBondContact O-N 3.09Å; R332-E335 PolarHBondContact O-N 2.96Å; E335-K337 PolarHBondContact O-N 3.39Å; E335-K338 WeakPolarHBondContact O-CB 3.37Å; E335-K338 PolarHBondContact O-N 2.99Å; E335-K338 VanDerWaalsContact O-N 3.14Å; E335-L339 WeakPolarHBondContact O-CG 3.4Å; E335-L339 PolarHBondContact O-N 2.98Å |
| 336 | E | 92.8 | Very high | 84.2 | Confident | 88 Ų | 88 | 79.9 Ų | 79.9 | 41% | 0.411 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 177.1 | -70.3 | 170.7 | -154.1 | 0 | 0 | 112.8 | R293 R332 K338 L339 S340 | R293-E336 IonicContact CZ-OE1 2.9Å; R293-E336 IonicContact CZ-OE2 2.71Å; R293-E336 IonicContact NH1-OE1 3.29Å; R293-E336 PolarHBondContact NH1-OE1 3.29Å; R293-E336 IonicContact NH1-OE2 3.22Å; R293-E336 PolarHBondContact NH1-OE2 2.87Å; R293-E336 IonicContact NH2-OE2 3.32Å; R293-E336 PolarHBondContact NH2-OE2 3.36Å; R332-E336 WeakPolarHBondContact O-CG 3.25Å; R332-E336 PolarHBondContact O-N 2.89Å; E336-K338 VanDerWaalsContact C-N 3.3Å; E336-K338 PolarHBondContact O-N 2.89Å; E336-L339 PolarHBondContact O-N 3.44Å; E336-S340 PolarHBondContact O-N 3.13Å; E336-S340 PolarHBondContact O-OG 3.12Å |
| 337 | K | 87.4 | Confident | 81.5 | Confident | 43 Ų | 43 | 91.1 Ų | 91.1 | 19% | 0.187 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -69.2 | -25.6 | 174.6 | -76.3 | -175.3 | 178.1 | -178.6 | 0 | 112.7 | M1 D176 I333 L334 E335 S340 R341 | M1-K337 HydrophobicContact CE-CD 3.52Å; M1-K337 HydrophobicContact SD-CD 4.33Å; D176-K337 PolarHBondContact O-NZ 3.29Å; D176-K337 VanDerWaalsContact O-NZ 3.11Å; I333-K337 HydrophobicContact CG2-CD 4.1Å; I333-K337 WeakPolarHBondContact O-CB 3.24Å; I333-K337 WeakPolarHBondContact O-CG 3.36Å; I333-K337 PolarHBondContact O-N 2.9Å; L334-K337 PolarHBondContact O-N 3.43Å; E335-K337 PolarHBondContact O-N 3.39Å; K337-S340 WeakPolarHBondContact CA-OG 3.26Å; K337-S340 PolarHBondContact O-OG 3.14Å; K337-R341 WeakPolarHBondContact O-CD 3.45Å; K337-R341 VanDerWaalsContact O-CG 3.29Å; K337-R341 WeakPolarHBondContact O-CG 3.49Å |
| 338 | K | 84.9 | Confident | 80.6 | Confident | 128 Ų | 128 | 95.7 Ų | 95.7 | 56% | 0.557 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -73.8 | -46.2 | 171.3 | -77.3 | 177.3 | -179.7 | -178 | 0 | 110.9 | L334 E335 E336 S340 R341 M342 | L334-K338 WeakPolarHBondContact O-CG 3.47Å; L334-K338 PolarHBondContact O-N 2.94Å; E335-K338 WeakPolarHBondContact O-CB 3.37Å; E335-K338 PolarHBondContact O-N 2.99Å; E335-K338 VanDerWaalsContact O-N 3.14Å; E336-K338 VanDerWaalsContact C-N 3.3Å; E336-K338 PolarHBondContact O-N 2.89Å; K338-S340 PolarHBondContact O-N 2.88Å; K338-R341 PolarHBondContact O-N 3.4Å; K338-R341 VanDerWaalsContact O-N 3.15Å; K338-M342 PolarHBondContact O-N 3.37Å |
| 339 | L | 76.3 | Confident | 79.7 | Confident | 119 Ų | 119 | 96 Ų | 96 | 62% | 0.623 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.4 | -40.6 | 179.1 | -70.5 | 169.3 | 0 | 0 | 0 | 112.2 | E335 E336 R341 M342 | E335-L339 WeakPolarHBondContact O-CG 3.4Å; E335-L339 PolarHBondContact O-N 2.98Å; E336-L339 PolarHBondContact O-N 3.44Å; L339-R341 PolarHBondContact O-N 2.96Å; L339-M342 HydrophobicContact CD2-SD 4.34Å; L339-M342 PolarHBondContact O-N 3.45Å; L339-M342 VanDerWaalsContact O-N 3.16Å |
| 340 | S | 78 | Confident | 78.7 | Confident | 97 Ų | 97 | 100.4 Ų | 100.4 | 68% | 0.678 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13.2 | 177.2 | 56.1 | 0 | 0 | 0 | 0 | 114.4 | E336 K337 K338 | E336-S340 PolarHBondContact O-N 3.13Å; E336-S340 PolarHBondContact O-OG 3.12Å; K337-S340 WeakPolarHBondContact CA-OG 3.26Å; K337-S340 PolarHBondContact O-OG 3.14Å; K338-S340 PolarHBondContact O-N 2.88Å |
| 341 | R | 74.2 | Confident | 77.5 | Confident | 205 Ų | 205 | 106.3 Ų | 106.3 | 77% | 0.774 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -11.6 | 173.8 | -70.3 | 175.2 | -178.3 | -169 | -0.8 | 113.3 | K337 K338 L339 | K337-R341 WeakPolarHBondContact O-CD 3.45Å; K337-R341 VanDerWaalsContact O-CG 3.29Å; K337-R341 WeakPolarHBondContact O-CG 3.49Å; K338-R341 PolarHBondContact O-N 3.4Å; K338-R341 VanDerWaalsContact O-N 3.15Å; L339-R341 PolarHBondContact O-N 2.96Å |
| 342 | M | 65.2 | Low | 76.2 | Confident | 130 Ų | 130 | 112.6 Ų | 112.6 | 64% | 0.64 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -72.5 | 131.8 | 174 | -67.2 | -175.4 | 75.5 | 0 | 0 | 108.7 | K338 L339 | K338-M342 PolarHBondContact O-N 3.37Å; L339-M342 HydrophobicContact CD2-SD 4.34Å; L339-M342 PolarHBondContact O-N 3.45Å; L339-M342 VanDerWaalsContact O-N 3.16Å |
| 343 | P | 58.6 | Low | 74.8 | Confident | 111 Ų | 111 | 112.3 Ų | 112.3 | 72% | 0.721 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 146.4 | 171.6 | -17.4 | 27.9 | 0 | 0 | 0 | 109.4 | S345 | P343-S345 PolarHBondContact O-N 3.46Å; P343-S345 VanDerWaalsContact O-N 3.11Å |
| 344 | P | 58.9 | Low | 73.3 | Confident | 99 Ų | 99 | 120.3 Ų | 120.3 | 64% | 0.643 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 124.3 | 168.9 | -19.1 | 29.3 | 0 | 0 | 0 | 108.4 | H346 | P344-H346 PolarHBondContact O-N 3.01Š|
| 345 | S | 61.9 | Low | 71.6 | Confident | 110 Ų | 110 | 128.5 Ų | 128.5 | 77% | 0.769 | 67% | 0.666 | S | S | * | * | trans | -64.8 | 100.1 | 172.2 | 56.2 | 0 | 0 | 0 | 0 | 107.6 | P343 L347 | P343-S345 PolarHBondContact O-N 3.46Å; P343-S345 VanDerWaalsContact O-N 3.11Å; S345-L347 VanDerWaalsContact C-N 3.3Å; S345-L347 PolarHBondContact O-N 3.4Å | ||
| 346 | H | 55.9 | Low | 69.7 | Low | 178 Ų | 178 | 128.6 Ų | 128.6 | 82% | 0.824 | 67% | 0.671 | S | S | * | * | trans | -72.9 | 91.3 | 166.3 | -67.1 | -67 | 0 | 0 | 0 | 107.5 | P344 | P344-H346 PolarHBondContact O-N 3.01Š| ||
| 347 | L | 42.7 | Very low | 67.6 | Low | 235 Ų | 235 | 132.3 Ų | 132.3 | 100% | 1.23 | 70% | 0.695 | S | S | * | * | trans | -98.1 | 0 | 155.3 | -90.4 | 166.3 | 0 | 0 | 0 | 108.5 | S345 | S345-L347 VanDerWaalsContact C-N 3.3Å; S345-L347 PolarHBondContact O-N 3.4Å |
Retrieved 347 of 347 residues in 260.2 ms
(Link to these results)