| 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 | 98.3 | Very high | 97.4 | Very high | 15 Ų | 15 | 6 Ų | 6 | 7% | 0.074 | 3% | 0.033 | C | C | . | . | 0 | 143.2 | 0 | 179.5 | -171 | -55.9 | 0 | 0 | 108.5 | K35 V37 L195 L198 W202 I204 E208 I209 A210 | M1-K35 CarbonylContact C-O 3.59Å; M1-K35 WeakPolarHBondContact CA-O 3.42Å; M1-K35 HydrophobicContact CG-CB 4.35Å; M1-V37 HydrophobicContact CG-CG2 3.84Å; M1-V37 HydrophobicContact SD-CG2 3.75Å; M1-L195 HydrophobicContact SD-CD2 4.2Å; M1-L198 HydrophobicContact CE-CB 4.31Å; M1-W202 HydrophobicContact CE-CE3 3.36Å; M1-W202 HydrophobicContact CE-CZ3 3.36Å; M1-W202 HydrophobicContact SD-CZ3 4.28Å; M1-I204 HydrophobicContact CB-CD1 4.1Å; M1-I204 HydrophobicContact CB-CG2 4.27Å; M1-I204 HydrophobicContact CE-CD1 4.04Å; M1-E208 PolarHBondContact N-O 3.32Å; M1-I209 HydrophobicContact CB-CG1 4.22Å; M1-I209 HydrophobicContact CB-CG2 4.39Å; M1-I209 WeakPolarHBondContact O-CA 3.46Å; M1-I209 HydrophobicContact SD-CD1 4.41Å; M1-I209 HydrophobicContact SD-CG2 4.29Å; M1-A210 PolarHBondContact O-N 2.86Å | |||
| 2 | I | 98.8 | Very high | 97.4 | Very high | 6 Ų | 6 | 8.7 Ų | 8.7 | 3% | 0.031 | 5% | 0.047 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 123.3 | 167.1 | -71.8 | 163.3 | 0 | 0 | 0 | 107.9 | V4 M29 I34 K35 F36 V37 A210 F212 M258 | I2-V4 HydrophobicContact CG2-CG1 3.99Å; I2-M29 HydrophobicContact CB-CE 3.89Å; I2-M29 HydrophobicContact CD1-CE 3.81Å; I2-M29 HydrophobicContact CD1-SD 4.05Å; I2-M29 HydrophobicContact CG1-CE 4.25Å; I2-I34 HydrophobicContact CD1-CG2 4.3Å; I2-I34 HydrophobicContact CG1-CG2 4.33Å; I2-K35 PolarHBondContact N-O 3.35Å; I2-F36 HydrophobicContact CB-CD2 4.38Å; I2-F36 HydrophobicContact CG2-CD2 4.03Å; I2-F36 HydrophobicContact CG2-CE2 4.14Å; I2-F36 CarbonylContact O-C 3.56Å; I2-F36 WeakPolarHBondContact O-CA 3.48Å; I2-V37 PolarHBondContact O-N 3.43Å; I2-A210 CarbonylContact C-O 3.44Å; I2-A210 WeakPolarHBondContact CA-O 3.24Å; I2-A210 HydrophobicContact CG1-CB 4.06Å; I2-F212 HydrophobicContact CG2-CD2 4.23Å; I2-F212 HydrophobicContact CG2-CE2 3.81Å; I2-M258 HydrophobicContact CD1-CE 4.25Å; I2-M258 HydrophobicContact CD1-CG 4.29Å; I2-M258 HydrophobicContact CG2-CE 4.09Å; I2-M258 HydrophobicContact CG2-CG 4.29Å; I2-M258 HydrophobicContact CG2-SD 4.4Å |
| 3 | A | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | V37 L195 A210 A211 F212 M221 | A3-V37 CarbonylContact C-O 3.56Å; A3-V37 VanDerWaalsContact CA-O 3.22Å; A3-V37 WeakPolarHBondContact CA-O 3.27Å; A3-V37 HydrophobicContact CB-CB 4.27Å; A3-L195 HydrophobicContact CB-CD1 3.59Å; A3-L195 HydrophobicContact CB-CD2 3.7Å; A3-L195 HydrophobicContact CB-CG 4.31Å; A3-A210 PolarHBondContact N-O 3.21Å; A3-A211 CarbonylContact O-C 3.5Å; A3-A211 VanDerWaalsContact O-CA 3.26Å; A3-A211 WeakPolarHBondContact O-CA 3.45Å; A3-F212 WeakPolarHBondContact O-CD2 3.49Å; A3-F212 PolarHBondContact O-N 2.98Å; A3-M221 HydrophobicContact CB-SD 4.33Å |
| 4 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 136 | -177.5 | -57 | 0 | 0 | 0 | 0 | 110.9 | I2 F10 F36 V37 V38 A39 F212 V254 | I2-V4 HydrophobicContact CG2-CG1 3.99Å; V4-F10 HydrophobicContact CB-CB 4.47Å; V4-F10 HydrophobicContact CB-CD2 4.34Å; V4-F10 HydrophobicContact CG1-CD2 4.34Å; V4-F10 HydrophobicContact CG2-CB 4.26Å; V4-F10 HydrophobicContact CG2-CD2 3.99Å; V4-F10 HydrophobicContact CG2-CG 4.23Å; V4-F36 HydrophobicContact CG1-CE2 3.97Å; V4-F36 HydrophobicContact CG1-CZ 4.34Å; V4-F36 HydrophobicContact CG2-CE1 4.3Å; V4-F36 HydrophobicContact CG2-CE2 3.95Å; V4-F36 HydrophobicContact CG2-CZ 3.5Å; V4-V37 PolarHBondContact N-O 3.18Å; V4-V38 HydrophobicContact CG2-CG2 4.46Å; V4-A39 PolarHBondContact O-N 3.42Å; V4-F212 HydrophobicContact CB-CB 4.44Å; V4-F212 HydrophobicContact CG1-CB 4.18Å; V4-F212 HydrophobicContact CG1-CD2 3.71Å; V4-F212 HydrophobicContact CG1-CE2 4.48Å; V4-F212 HydrophobicContact CG1-CG 4.17Å; V4-V254 HydrophobicContact CG1-CG1 3.8Å |
| 5 | D | 98.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 3% | 0.032 | 13% | 0.13 | C | C | . | . | trans | -70.5 | 161.7 | 155.2 | -176.2 | 62.8 | 0 | 0 | 0 | 111 | D7 T9 F10 A39 K191 F212 D218 M221 | D5-D7 PolarHBondContact OD2-N 3.48Å; D5-D7 VanDerWaalsContact OD2-O 3.12Å; D5-T9 HydrophobicContact CB-CG2 4.16Å; D5-T9 WeakPolarHBondContact O-CB 3.27Å; D5-T9 WeakPolarHBondContact O-CG2 3.49Å; D5-F10 WeakPolarHBondContact O-CB 3.49Å; D5-F10 PolarHBondContact O-N 3.47Å; D5-A39 WeakPolarHBondContact CA-O 3.06Å; D5-K191 VanDerWaalsContact CG-NZ 3.35Å; D5-K191 IonicContact OD1-NZ 2.87Å; D5-K191 PolarHBondContact OD1-NZ 2.87Å; D5-F212 PolarHBondContact N-O 3.41Å; D5-D218 WeakPolarHBondContact CB-OD1 3.21Å; D5-M221 HydrophobicContact CB-CE 4.47Å | ||
| 6 | M | 96.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | -63.6 | -178.9 | -64.7 | -60.7 | -71.8 | 0 | 0 | 112.8 | G8 T9 F10 L11 V38 L47 F50 F51 | M6-G8 PolarHBondContact O-N 3.36Å; M6-T9 PolarHBondContact O-N 3.13Å; M6-F10 HydrophobicContact CE-CD1 3.98Å; M6-F10 PolarHBondContact O-N 2.75Å; M6-F10 HydrophobicContact SD-CB 4.08Å; M6-F10 HydrophobicContact SD-CD1 4.04Å; M6-F10 HydrophobicContact SD-CG 4.3Å; M6-L11 HydrophobicContact CB-CD1 4.14Å; M6-L11 HydrophobicContact CB-CG 4.31Å; M6-L11 HydrophobicContact CE-CD1 3.97Å; M6-L11 HydrophobicContact CE-CD2 3.73Å; M6-L11 HydrophobicContact CE-CG 3.77Å; M6-L11 WeakPolarHBondContact O-CB 3.35Å; M6-L11 PolarHBondContact O-N 3.45Å; M6-V38 HydrophobicContact CG-CG1 3.5Å; M6-V38 VanDerWaalsContact CG-CG1 3.5Å; M6-V38 HydrophobicContact SD-CG1 3.62Å; M6-V38 HydrophobicContact SD-CG2 4.2Å; M6-L47 HydrophobicContact CB-CD2 4.45Å; M6-L47 HydrophobicContact CG-CD2 3.75Å; M6-F50 HydrophobicContact CE-CB 4.09Å; M6-F50 HydrophobicContact CE-CD2 4.03Å; M6-F50 HydrophobicContact CE-CG 4.14Å; M6-F51 HydrophobicContact CE-CE2 3.5Å; M6-F51 HydrophobicContact CE-CZ 3.66Å; M6-F51 HydrophobicContact SD-CE2 3.95Å; M6-F51 HydrophobicContact SD-CZ 4.01Å |
| 7 | D | 94.2 | Very high | 96.9 | Very high | 22 Ų | 22 | 29.6 Ų | 29.6 | 12% | 0.118 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -78.4 | 121.6 | -167.2 | -72.1 | -62.6 | 0 | 0 | 0 | 110.9 | D5 T9 K15 N42 | D5-D7 PolarHBondContact OD2-N 3.48Å; D5-D7 VanDerWaalsContact OD2-O 3.12Å; D7-T9 PolarHBondContact O-N 3.07Å; D7-K15 WeakPolarHBondContact OD1-CE 3.34Å; D7-K15 IonicContact OD1-NZ 3.85Å; D7-K15 PolarHBondContact OD1-NZ 3.39Å; D7-N42 PolarHBondContact OD2-ND2 2.88Å |
| 8 | G | 94.4 | Very high | 97 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 3.1 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M6 N233 N249 | M6-G8 PolarHBondContact O-N 3.36Å; G8-N233 PolarHBondContact O-ND2 3.49Å; G8-N249 WeakPolarHBondContact O-CB 3.24Å |
| 9 | T | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124 | -80.1 | 179.9 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | D5 M6 D7 F212 G213 D214 M231 N249 V254 | D5-T9 HydrophobicContact CB-CG2 4.16Å; D5-T9 WeakPolarHBondContact O-CB 3.27Å; D5-T9 WeakPolarHBondContact O-CG2 3.49Å; M6-T9 PolarHBondContact O-N 3.13Å; D7-T9 PolarHBondContact O-N 3.07Å; T9-F212 HydrophobicContact CG2-CB 3.81Å; T9-G213 WeakPolarHBondContact OG1-CA 3.39Å; T9-D214 PolarHBondContact OG1-N 3.09Å; T9-M231 HydrophobicContact CG2-CG 4.1Å; T9-M231 HydrophobicContact CG2-SD 4.04Å; T9-N249 WeakPolarHBondContact O-CB 3.33Å; T9-V254 HydrophobicContact CG2-CG2 3.87Å; T9-V254 WeakPolarHBondContact O-CG2 3.48Å |
| 10 | F | 98.1 | Very high | 97 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 5% | 0.048 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -30.7 | -179 | -170.5 | -94.9 | 0 | 0 | 0 | 112.7 | V4 D5 M6 Y17 F22 F36 F51 V254 L255 M258 | V4-F10 HydrophobicContact CB-CB 4.47Å; V4-F10 HydrophobicContact CB-CD2 4.34Å; V4-F10 HydrophobicContact CG1-CD2 4.34Å; V4-F10 HydrophobicContact CG2-CB 4.26Å; V4-F10 HydrophobicContact CG2-CD2 3.99Å; V4-F10 HydrophobicContact CG2-CG 4.23Å; D5-F10 WeakPolarHBondContact O-CB 3.49Å; D5-F10 PolarHBondContact O-N 3.47Å; M6-F10 HydrophobicContact CE-CD1 3.98Å; M6-F10 PolarHBondContact O-N 2.75Å; M6-F10 HydrophobicContact SD-CB 4.08Å; M6-F10 HydrophobicContact SD-CD1 4.04Å; M6-F10 HydrophobicContact SD-CG 4.3Å; F10-Y17 HydrophobicContact CD1-CD1 4.33Å; F10-Y17 HydrophobicContact CD1-CG 4.1Å; F10-Y17 AromaticContact CE1-CD1 3.86Å; F10-Y17 HydrophobicContact CE1-CD1 3.86Å; F10-Y17 AromaticContact CE1-CD2 3.47Å; F10-Y17 HydrophobicContact CE1-CD2 3.47Å; F10-Y17 VanDerWaalsContact CE1-CD2 3.47Å; F10-Y17 HydrophobicContact CE1-CE1 4.22Å; F10-Y17 AromaticContact CE1-CE2 3.87Å; F10-Y17 HydrophobicContact CE1-CE2 3.87Å; F10-Y17 AromaticContact CE1-CG 3.47Å; F10-Y17 HydrophobicContact CE1-CG 3.47Å; F10-Y17 VanDerWaalsContact CE1-CG 3.47Å; F10-Y17 AromaticContact CZ-CD2 3.86Å; F10-Y17 HydrophobicContact CZ-CD2 3.86Å; F10-Y17 HydrophobicContact CZ-CE2 4.21Å; F10-Y17 HydrophobicContact CZ-CG 4.27Å; F10-F22 AromaticContact CE2-CD2 3.96Å; F10-F22 HydrophobicContact CE2-CD2 3.96Å; F10-F22 HydrophobicContact CE2-CE2 4.19Å; F10-F22 HydrophobicContact CZ-CB 4.38Å; F10-F22 AromaticContact CZ-CD2 3.47Å; F10-F22 HydrophobicContact CZ-CD2 3.47Å; F10-F22 VanDerWaalsContact CZ-CD2 3.47Å; F10-F22 AromaticContact CZ-CE2 3.82Å; F10-F22 HydrophobicContact CZ-CE2 3.82Å; F10-F22 AromaticContact CZ-CG 3.9Å; F10-F22 HydrophobicContact CZ-CG 3.9Å; F10-F36 HydrophobicContact CD2-CZ 4.5Å; F10-F36 HydrophobicContact CE2-CZ 4.01Å; F10-F36 HydrophobicContact CZ-CZ 4.33Å; F10-F51 HydrophobicContact CD1-CZ 4.15Å; F10-F51 AromaticContact CE1-CE1 3.79Å; F10-F51 HydrophobicContact CE1-CE1 3.79Å; F10-F51 AromaticContact CE1-CZ 3.71Å; F10-F51 HydrophobicContact CE1-CZ 3.71Å; F10-F51 HydrophobicContact CZ-CE1 4.19Å; F10-F51 HydrophobicContact CZ-CZ 4.36Å; F10-V254 HydrophobicContact CD2-CB 4.35Å; F10-V254 HydrophobicContact CD2-CG1 3.85Å; F10-V254 HydrophobicContact CE2-CG1 4.43Å; F10-L255 HydrophobicContact CE2-CD2 3.61Å; F10-L255 HydrophobicContact CZ-CD2 3.91Å; F10-M258 HydrophobicContact CE2-SD 4.36Å |
| 11 | L | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | B | Isolated β-bridge | trans | -94.9 | 139.2 | 177.5 | -58.3 | 178.7 | 0 | 0 | 0 | 111.2 | M6 K15 E16 Y17 F50 N249 | M6-L11 HydrophobicContact CB-CD1 4.14Å; M6-L11 HydrophobicContact CB-CG 4.31Å; M6-L11 HydrophobicContact CE-CD1 3.97Å; M6-L11 HydrophobicContact CE-CD2 3.73Å; M6-L11 HydrophobicContact CE-CG 3.77Å; M6-L11 WeakPolarHBondContact O-CB 3.35Å; M6-L11 PolarHBondContact O-N 3.45Å; L11-K15 HydrophobicContact CD1-CD 4.45Å; L11-E16 WeakPolarHBondContact CA-O 3.43Å; L11-Y17 HydrophobicContact CD2-CD1 3.69Å; L11-Y17 HydrophobicContact CD2-CG 4.44Å; L11-F50 HydrophobicContact CD1-CD1 4.22Å; L11-F50 HydrophobicContact CD1-CD2 4.34Å; L11-F50 HydrophobicContact CD1-CE1 3.81Å; L11-F50 HydrophobicContact CD1-CE2 3.92Å; L11-F50 HydrophobicContact CD1-CG 4.48Å; L11-F50 HydrophobicContact CD1-CZ 3.64Å; L11-F50 HydrophobicContact CD2-CD1 4.17Å; L11-F50 HydrophobicContact CD2-CE1 4.42Å; L11-N249 WeakPolarHBondContact O-CB 3.5Å; L11-N249 PolarHBondContact O-ND2 3.07Å |
| 12 | D | 97.1 | Very high | 97.1 | Very high | 38 Ų | 38 | 39.5 Ų | 39.5 | 20% | 0.203 | 19% | 0.186 | C | C | . | . | trans | -68.8 | 177.4 | 168.2 | 68.8 | 22.5 | 0 | 0 | 0 | 112 | Q14 K15 E16 | D12-Q14 PolarHBondContact O-N 2.98Å; D12-Q14 VanDerWaalsContact O-N 3.16Å; D12-Q14 VanDerWaalsContact OD1-C 3.24Å; D12-Q14 WeakPolarHBondContact OD1-CA 3.46Å; D12-Q14 WeakPolarHBondContact OD1-CB 3.46Å; D12-Q14 PolarHBondContact OD1-N 2.78Å; D12-K15 PolarHBondContact O-N 3.11Å; D12-K15 PolarHBondContact OD1-N 2.88Å; D12-E16 VanDerWaalsContact CG-O 3.29Å; D12-E16 PolarHBondContact N-O 3.04Å; D12-E16 PolarHBondContact OD1-N 2.94Å | ||
| 13 | D | 94.9 | Very high | 97 | Very high | 101 Ų | 101 | 41.8 Ų | 41.8 | 54% | 0.54 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12.7 | -179.9 | -66.1 | -12.7 | 0 | 0 | 0 | 113.3 | K15 N249 N250 | D13-K15 VanDerWaalsContact C-N 3.32Å; D13-N249 PolarHBondContact OD1-ND2 3.45Å; D13-N249 VanDerWaalsContact OD1-ND2 3.1Å; D13-N250 VanDerWaalsContact CG-ND2 3.28Å; D13-N250 PolarHBondContact N-OD1 3.01Å; D13-N250 VanDerWaalsContact N-OD1 3.1Å; D13-N250 PolarHBondContact OD2-ND2 2.88Å |
| 14 | Q | 95.3 | Very high | 97 | Very high | 140 Ų | 140 | 47.9 Ų | 47.9 | 65% | 0.654 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 3.3 | 172.5 | -69.1 | 76.5 | 78.2 | 0 | 0 | 112.4 | D12 E16 | D12-Q14 PolarHBondContact O-N 2.98Å; D12-Q14 VanDerWaalsContact O-N 3.16Å; D12-Q14 VanDerWaalsContact OD1-C 3.24Å; D12-Q14 WeakPolarHBondContact OD1-CA 3.46Å; D12-Q14 WeakPolarHBondContact OD1-CB 3.46Å; D12-Q14 PolarHBondContact OD1-N 2.78Å; Q14-E16 VanDerWaalsContact C-N 3.26Å |
| 15 | K | 94.4 | Very high | 97 | Very high | 44 Ų | 44 | 48 Ų | 48 | 19% | 0.191 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 63.5 | 30.9 | -176.1 | -52.1 | -58.5 | -176.7 | -177.3 | 0 | 113.1 | D7 L11 D12 D13 F50 F124 | D7-K15 WeakPolarHBondContact OD1-CE 3.34Å; D7-K15 IonicContact OD1-NZ 3.85Å; D7-K15 PolarHBondContact OD1-NZ 3.39Å; L11-K15 HydrophobicContact CD1-CD 4.45Å; D12-K15 PolarHBondContact O-N 3.11Å; D12-K15 PolarHBondContact OD1-N 2.88Å; D13-K15 VanDerWaalsContact C-N 3.32Å; K15-F50 HydrophobicContact CB-CE1 4.4Å; K15-F50 WeakPolarHBondContact O-CE1 3.42Å; K15-F124 HydrophobicContact CB-CZ 4.16Å; K15-F124 HydrophobicContact CG-CE1 4.28Å; K15-F124 HydrophobicContact CG-CZ 4.09Å |
| 16 | E | 96.8 | Very high | 97 | Very high | 91 Ų | 91 | 47.9 Ų | 47.9 | 43% | 0.425 | 22% | 0.221 | S | C | . | . | trans | -116.1 | 168.2 | 175.9 | -66.7 | -65.3 | 162.6 | 0 | 0 | 111.2 | L11 D12 Q14 R19 | L11-E16 WeakPolarHBondContact CA-O 3.43Å; D12-E16 VanDerWaalsContact CG-O 3.29Å; D12-E16 PolarHBondContact N-O 3.04Å; D12-E16 PolarHBondContact OD1-N 2.94Å; Q14-E16 VanDerWaalsContact C-N 3.26Å; E16-R19 IonicContact OE2-NE 2.93Å; E16-R19 IonicContact OE2-NH2 2.85Å | ||
| 17 | Y | 97.8 | Very high | 97 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 9% | 0.094 | 24% | 0.236 | C | C | . | . | trans | -148.7 | 162.9 | 168.6 | 68.4 | -80.7 | 0 | 0 | 0 | 108.8 | F10 L11 R19 F22 F50 F51 | F10-Y17 HydrophobicContact CD1-CD1 4.33Å; F10-Y17 HydrophobicContact CD1-CG 4.1Å; F10-Y17 AromaticContact CE1-CD1 3.86Å; F10-Y17 HydrophobicContact CE1-CD1 3.86Å; F10-Y17 AromaticContact CE1-CD2 3.47Å; F10-Y17 HydrophobicContact CE1-CD2 3.47Å; F10-Y17 VanDerWaalsContact CE1-CD2 3.47Å; F10-Y17 HydrophobicContact CE1-CE1 4.22Å; F10-Y17 AromaticContact CE1-CE2 3.87Å; F10-Y17 HydrophobicContact CE1-CE2 3.87Å; F10-Y17 AromaticContact CE1-CG 3.47Å; F10-Y17 HydrophobicContact CE1-CG 3.47Å; F10-Y17 VanDerWaalsContact CE1-CG 3.47Å; F10-Y17 AromaticContact CZ-CD2 3.86Å; F10-Y17 HydrophobicContact CZ-CD2 3.86Å; F10-Y17 HydrophobicContact CZ-CE2 4.21Å; F10-Y17 HydrophobicContact CZ-CG 4.27Å; L11-Y17 HydrophobicContact CD2-CD1 3.69Å; L11-Y17 HydrophobicContact CD2-CG 4.44Å; Y17-R19 HydrophobicContact CD2-CG 4.43Å; Y17-R19 HydrophobicContact CE1-CG 4.3Å; Y17-R19 HydrophobicContact CE2-CB 4.38Å; Y17-R19 HydrophobicContact CE2-CG 3.93Å; Y17-R19 PolarHBondContact O-N 3.41Å; Y17-F22 HydrophobicContact CD2-CB 3.85Å; Y17-F22 HydrophobicContact CD2-CG 4.33Å; Y17-F22 HydrophobicContact CE2-CB 3.62Å; Y17-F22 AromaticContact CE2-CD1 3.74Å; Y17-F22 HydrophobicContact CE2-CD1 3.74Å; Y17-F22 AromaticContact CE2-CG 3.82Å; Y17-F22 HydrophobicContact CE2-CG 3.82Å; Y17-F50 HydrophobicContact CE1-CB 4.27Å; Y17-F50 WeakPolarHBondContact CE1-O 3.11Å; Y17-F50 PolarHBondContact OH-O 2.98Å; Y17-F51 HydrophobicContact CE1-CE1 4.18Å; Y17-F51 HydrophobicContact CE2-CE1 4.18Å; Y17-F51 AromaticContact CZ-CD1 3.89Å; Y17-F51 AromaticContact CZ-CE1 3.69Å; Y17-F51 WeakPolarHBondContact OH-CD1 3.39Å; Y17-F51 WeakPolarHBondContact OH-CE1 3.48Å | ||
| 18 | N | 97.8 | Very high | 97.2 | Very high | 57 Ų | 57 | 53.8 Ų | 53.8 | 31% | 0.305 | 25% | 0.248 | S | C | . | . | trans | -72.7 | 90.6 | 178.8 | -168.8 | -32.6 | 0 | 0 | 0 | 111.4 | E20 R21 F22 E252 L255 | N18-E20 PolarHBondContact O-N 3.23Å; N18-R21 HydrophobicContact CB-CB 3.9Å; N18-R21 VanDerWaalsContact CG-CB 3.41Å; N18-R21 PolarHBondContact O-N 3.06Å; N18-R21 VanDerWaalsContact OD1-CB 3.3Å; N18-R21 WeakPolarHBondContact OD1-CB 3.34Å; N18-R21 PolarHBondContact OD1-N 3.47Å; N18-F22 WeakPolarHBondContact O-CB 3.47Å; N18-F22 PolarHBondContact O-N 3.29Å; N18-E252 WeakPolarHBondContact CB-OE1 3.37Å; N18-E252 PolarHBondContact ND2-OE1 3.19Å; N18-E252 VanDerWaalsContact ND2-OE1 3.15Å; N18-L255 HydrophobicContact CB-CD1 3.94Å | ||
| 19 | R | 97.4 | Very high | 97.4 | Very high | 97 Ų | 97 | 53.6 Ų | 53.6 | 37% | 0.366 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -57.9 | -43.2 | -175.8 | -65.5 | 175.6 | -176.4 | -82.8 | -4.8 | 113.1 | E16 Y17 F22 D23 F50 | E16-R19 IonicContact OE2-NE 2.93Å; E16-R19 IonicContact OE2-NH2 2.85Å; Y17-R19 HydrophobicContact CD2-CG 4.43Å; Y17-R19 HydrophobicContact CE1-CG 4.3Å; Y17-R19 HydrophobicContact CE2-CB 4.38Å; Y17-R19 HydrophobicContact CE2-CG 3.93Å; Y17-R19 PolarHBondContact O-N 3.41Å; R19-F22 PolarHBondContact O-N 3Å; R19-D23 WeakPolarHBondContact O-CB 3.4Å; R19-D23 PolarHBondContact O-N 3.48Å; R19-F50 PolarHBondContact NH1-O 3.25Å |
| 20 | E | 97.3 | Very high | 97.3 | Very high | 147 Ų | 147 | 57.3 Ų | 57.3 | 69% | 0.687 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -66.4 | -39.6 | 178.9 | -66.4 | -176 | -179 | 0 | 0 | 112 | N18 R24 | N18-E20 PolarHBondContact O-N 3.23Å; E20-R24 WeakPolarHBondContact O-CG 3.3Å; E20-R24 PolarHBondContact O-N 3.28Å; E20-R24 PolarHBondContact O-NH1 3.14Å; E20-R24 VanDerWaalsContact O-NH1 3.11Å |
| 21 | R | 98 | Very high | 97.3 | Very high | 39 Ų | 39 | 64.5 Ų | 64.5 | 15% | 0.147 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.2 | -46.3 | 176.2 | -173.5 | 178.6 | -173.5 | -167.5 | -0.7 | 110.9 | N18 R24 I25 E252 L255 E259 | N18-R21 HydrophobicContact CB-CB 3.9Å; N18-R21 VanDerWaalsContact CG-CB 3.41Å; N18-R21 PolarHBondContact O-N 3.06Å; N18-R21 VanDerWaalsContact OD1-CB 3.3Å; N18-R21 WeakPolarHBondContact OD1-CB 3.34Å; N18-R21 PolarHBondContact OD1-N 3.47Å; R21-R24 PolarHBondContact O-N 2.86Å; R21-I25 HydrophobicContact CG-CD1 4Å; R21-I25 WeakPolarHBondContact O-CG1 3.5Å; R21-I25 PolarHBondContact O-N 3.49Å; R21-I25 VanDerWaalsContact O-N 3.12Å; R21-E252 WeakPolarHBondContact CD-OE2 3.35Å; R21-E252 IonicContact CZ-OE2 3.59Å; R21-E252 IonicContact NE-OE2 3.65Å; R21-E252 IonicContact NH1-OE2 2.67Å; R21-E252 PolarHBondContact NH1-OE2 3.22Å; R21-L255 HydrophobicContact CB-CD1 4.28Å; R21-L255 HydrophobicContact CG-CD1 4.23Å; R21-E259 IonicContact CZ-OE1 3.59Å; R21-E259 IonicContact CZ-OE2 2.68Å; R21-E259 IonicContact NE-OE1 2.71Å; R21-E259 PolarHBondContact NE-OE1 3.2Å; R21-E259 IonicContact NE-OE2 3.9Å; R21-E259 VanDerWaalsContact NH2-CD 3.33Å; R21-E259 IonicContact NH2-OE1 2.75Å; R21-E259 IonicContact NH2-OE2 2.61Å; R21-E259 PolarHBondContact NH2-OE2 3.2Å |
| 22 | F | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61 | -44.5 | 177.1 | 174.9 | -107.8 | 0 | 0 | 0 | 112.2 | F10 Y17 N18 R19 R24 I25 F26 F36 F51 M58 L255 M258 | F10-F22 AromaticContact CE2-CD2 3.96Å; F10-F22 HydrophobicContact CE2-CD2 3.96Å; F10-F22 HydrophobicContact CE2-CE2 4.19Å; F10-F22 HydrophobicContact CZ-CB 4.38Å; F10-F22 AromaticContact CZ-CD2 3.47Å; F10-F22 HydrophobicContact CZ-CD2 3.47Å; F10-F22 VanDerWaalsContact CZ-CD2 3.47Å; F10-F22 AromaticContact CZ-CE2 3.82Å; F10-F22 HydrophobicContact CZ-CE2 3.82Å; F10-F22 AromaticContact CZ-CG 3.9Å; F10-F22 HydrophobicContact CZ-CG 3.9Å; Y17-F22 HydrophobicContact CD2-CB 3.85Å; Y17-F22 HydrophobicContact CD2-CG 4.33Å; Y17-F22 HydrophobicContact CE2-CB 3.62Å; Y17-F22 AromaticContact CE2-CD1 3.74Å; Y17-F22 HydrophobicContact CE2-CD1 3.74Å; Y17-F22 AromaticContact CE2-CG 3.82Å; Y17-F22 HydrophobicContact CE2-CG 3.82Å; N18-F22 WeakPolarHBondContact O-CB 3.47Å; N18-F22 PolarHBondContact O-N 3.29Å; R19-F22 PolarHBondContact O-N 3Å; F22-R24 VanDerWaalsContact C-N 3.32Å; F22-R24 PolarHBondContact O-N 3.01Å; F22-I25 CarbonylContact O-C 2.95Å; F22-I25 WeakPolarHBondContact O-CA 3.49Å; F22-I25 WeakPolarHBondContact O-CB 3.43Å; F22-I25 PolarHBondContact O-N 3.01Å; F22-F26 HydrophobicContact CE1-CB 4.15Å; F22-F26 HydrophobicContact CE1-CG 4.32Å; F22-F26 HydrophobicContact CE2-CB 4.35Å; F22-F26 HydrophobicContact CZ-CB 4.05Å; F22-F26 AromaticContact CZ-CD2 3.97Å; F22-F26 HydrophobicContact CZ-CD2 3.97Å; F22-F26 HydrophobicContact CZ-CG 4.14Å; F22-F26 WeakPolarHBondContact O-CB 3.22Å; F22-F26 PolarHBondContact O-N 3.01Å; F22-F36 HydrophobicContact CE2-CD1 4.26Å; F22-F36 HydrophobicContact CE2-CD2 4.33Å; F22-F36 AromaticContact CE2-CE1 3.76Å; F22-F36 HydrophobicContact CE2-CE1 3.76Å; F22-F36 AromaticContact CE2-CE2 3.85Å; F22-F36 HydrophobicContact CE2-CE2 3.85Å; F22-F36 AromaticContact CE2-CZ 3.52Å; F22-F36 HydrophobicContact CE2-CZ 3.52Å; F22-F36 AromaticContact CZ-CD1 3.91Å; F22-F36 HydrophobicContact CZ-CD1 3.91Å; F22-F36 AromaticContact CZ-CE1 3.57Å; F22-F36 HydrophobicContact CZ-CE1 3.57Å; F22-F36 HydrophobicContact CZ-CE2 4.45Å; F22-F36 HydrophobicContact CZ-CG 4.47Å; F22-F36 AromaticContact CZ-CZ 3.86Å; F22-F36 HydrophobicContact CZ-CZ 3.86Å; F22-F51 HydrophobicContact CD1-CD1 4.26Å; F22-F51 HydrophobicContact CD1-CE1 4.13Å; F22-F51 AromaticContact CE1-CD1 3.64Å; F22-F51 HydrophobicContact CE1-CD1 3.64Å; F22-F51 AromaticContact CE1-CE1 3.63Å; F22-F51 HydrophobicContact CE1-CE1 3.63Å; F22-F51 HydrophobicContact CZ-CD1 4.19Å; F22-F51 AromaticContact CZ-CE1 3.85Å; F22-F51 HydrophobicContact CZ-CE1 3.85Å; F22-M58 HydrophobicContact CE1-CE 4.27Å; F22-M58 HydrophobicContact CZ-CE 4.26Å; F22-L255 HydrophobicContact CB-CD2 4.19Å; F22-L255 HydrophobicContact CD2-CD2 4.14Å; F22-M258 HydrophobicContact CE2-CE 4.39Å |
| 23 | D | 97.8 | Very high | 97.2 | Very high | 53 Ų | 53 | 76.1 Ų | 76.1 | 28% | 0.283 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 179.6 | -179.4 | 59.1 | 0 | 0 | 0 | 111.3 | R19 I25 F26 Q27 | R19-D23 WeakPolarHBondContact O-CB 3.4Å; R19-D23 PolarHBondContact O-N 3.48Å; D23-I25 VanDerWaalsContact C-N 3.31Å; D23-I25 PolarHBondContact O-N 2.96Å; D23-F26 PolarHBondContact O-N 2.87Å; D23-Q27 WeakPolarHBondContact O-CG 3.36Å; D23-Q27 PolarHBondContact O-N 3.34Å; D23-Q27 PolarHBondContact OD1-NE2 3.28Å |
| 24 | R | 97.9 | Very high | 97.4 | Very high | 129 Ų | 129 | 73.6 Ų | 73.6 | 49% | 0.487 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.4 | -38.8 | 174.3 | -67.6 | -170.4 | -55 | -88.3 | 4.7 | 113.3 | E20 R21 F22 Q28 | E20-R24 WeakPolarHBondContact O-CG 3.3Å; E20-R24 PolarHBondContact O-N 3.28Å; E20-R24 PolarHBondContact O-NH1 3.14Å; E20-R24 VanDerWaalsContact O-NH1 3.11Å; R21-R24 PolarHBondContact O-N 2.86Å; F22-R24 VanDerWaalsContact C-N 3.32Å; F22-R24 PolarHBondContact O-N 3.01Å; R24-Q28 WeakPolarHBondContact O-CG 3.33Å; R24-Q28 PolarHBondContact O-N 3.15Å; R24-Q28 PolarHBondContact O-NE2 3.11Å |
| 25 | I | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.7 | -45.4 | 176.2 | -69.6 | 165.9 | 0 | 0 | 0 | 109.5 | R21 F22 D23 Q27 Q28 M29 L255 M258 E259 L262 | R21-I25 HydrophobicContact CG-CD1 4Å; R21-I25 WeakPolarHBondContact O-CG1 3.5Å; R21-I25 PolarHBondContact O-N 3.49Å; R21-I25 VanDerWaalsContact O-N 3.12Å; F22-I25 CarbonylContact O-C 2.95Å; F22-I25 WeakPolarHBondContact O-CA 3.49Å; F22-I25 WeakPolarHBondContact O-CB 3.43Å; F22-I25 PolarHBondContact O-N 3.01Å; D23-I25 VanDerWaalsContact C-N 3.31Å; D23-I25 PolarHBondContact O-N 2.96Å; I25-Q27 PolarHBondContact O-N 3.04Å; I25-Q28 WeakPolarHBondContact O-CB 3.2Å; I25-Q28 PolarHBondContact O-N 3.16Å; I25-M29 HydrophobicContact CG2-CG 4.46Å; I25-M29 HydrophobicContact CG2-SD 4.27Å; I25-M29 WeakPolarHBondContact O-CG 3.41Å; I25-M29 PolarHBondContact O-N 3.1Å; I25-L255 HydrophobicContact CD1-CB 3.98Å; I25-L255 HydrophobicContact CD1-CD2 4.02Å; I25-M258 HydrophobicContact CG2-CB 3.97Å; I25-M258 HydrophobicContact CG2-CE 3.52Å; I25-M258 HydrophobicContact CG2-SD 4.36Å; I25-E259 HydrophobicContact CD1-CG 3.67Å; I25-E259 HydrophobicContact CG1-CG 3.74Å; I25-L262 HydrophobicContact CG2-CD1 3.75Å |
| 26 | F | 98.2 | Very high | 97.7 | Very high | 4 Ų | 4 | 68.1 Ų | 68.1 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.2 | -40.1 | -178.5 | -172.8 | -113.4 | 0 | 0 | 0 | 112 | F22 D23 Q28 M29 K30 F36 N54 E57 M58 | F22-F26 HydrophobicContact CE1-CB 4.15Å; F22-F26 HydrophobicContact CE1-CG 4.32Å; F22-F26 HydrophobicContact CE2-CB 4.35Å; F22-F26 HydrophobicContact CZ-CB 4.05Å; F22-F26 AromaticContact CZ-CD2 3.97Å; F22-F26 HydrophobicContact CZ-CD2 3.97Å; F22-F26 HydrophobicContact CZ-CG 4.14Å; F22-F26 WeakPolarHBondContact O-CB 3.22Å; F22-F26 PolarHBondContact O-N 3.01Å; D23-F26 PolarHBondContact O-N 2.87Å; F26-Q28 PolarHBondContact O-N 2.69Å; F26-M29 WeakPolarHBondContact O-CB 3.19Å; F26-M29 PolarHBondContact O-N 2.87Å; F26-K30 HydrophobicContact CD1-CD 4.05Å; F26-K30 HydrophobicContact CE1-CD 3.72Å; F26-K30 HydrophobicContact CE1-CG 4.36Å; F26-K30 HydrophobicContact CZ-CD 4.18Å; F26-K30 HydrophobicContact CZ-CG 4.41Å; F26-K30 WeakPolarHBondContact O-CG 3.4Å; F26-K30 PolarHBondContact O-N 3.13Å; F26-F36 HydrophobicContact CD2-CB 4.12Å; F26-F36 HydrophobicContact CD2-CG 4.45Å; F26-F36 HydrophobicContact CE2-CB 3.85Å; F26-F36 HydrophobicContact CE2-CG 4.48Å; F26-N54 HydrophobicContact CD1-CB 4.06Å; F26-N54 WeakPolarHBondContact CD1-ND2 3.4Å; F26-N54 HydrophobicContact CE1-CB 3.74Å; F26-N54 HydrophobicContact CZ-CB 4.35Å; F26-E57 HydrophobicContact CE1-CB 4.21Å; F26-E57 HydrophobicContact CZ-CB 3.99Å; F26-M58 HydrophobicContact CE2-CB 4.37Å; F26-M58 HydrophobicContact CE2-CE 4.48Å; F26-M58 HydrophobicContact CZ-CB 4.42Å; F26-M58 HydrophobicContact CZ-CE 4.46Å |
| 27 | Q | 97.8 | Very high | 97.8 | Very high | 68 Ų | 68 | 63.8 Ų | 63.8 | 32% | 0.318 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62 | -43 | 172.9 | -61.9 | -45 | -42.8 | 0 | 0 | 112 | D23 I25 M29 K30 E31 | D23-Q27 WeakPolarHBondContact O-CG 3.36Å; D23-Q27 PolarHBondContact O-N 3.34Å; D23-Q27 PolarHBondContact OD1-NE2 3.28Å; I25-Q27 PolarHBondContact O-N 3.04Å; Q27-M29 VanDerWaalsContact C-N 3.33Å; Q27-M29 PolarHBondContact O-N 3.14Å; Q27-K30 WeakPolarHBondContact O-CB 3.43Å; Q27-K30 PolarHBondContact O-N 3.49Å; Q27-E31 WeakPolarHBondContact O-CG 3.45Å; Q27-E31 PolarHBondContact O-N 3.36Å |
| 28 | Q | 98 | Very high | 97.9 | Very high | 79 Ų | 79 | 62.6 Ų | 62.6 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 175 | -74.6 | 171.4 | 75.5 | 0 | 0 | 112.5 | R24 I25 F26 K30 E31 K32 L262 | R24-Q28 WeakPolarHBondContact O-CG 3.33Å; R24-Q28 PolarHBondContact O-N 3.15Å; R24-Q28 PolarHBondContact O-NE2 3.11Å; I25-Q28 WeakPolarHBondContact O-CB 3.2Å; I25-Q28 PolarHBondContact O-N 3.16Å; F26-Q28 PolarHBondContact O-N 2.69Å; Q28-K30 VanDerWaalsContact C-N 3.33Å; Q28-E31 PolarHBondContact O-N 3.15Å; Q28-K32 PolarHBondContact O-N 2.9Å; Q28-K32 VanDerWaalsContact O-N 3.16Å; Q28-L262 HydrophobicContact CB-CD1 4.12Å |
| 29 | M | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60 | -44.7 | 173.7 | -72.3 | -179.6 | 66 | 0 | 0 | 111.1 | I2 I25 F26 Q27 K32 E33 I34 F36 M258 L262 | I2-M29 HydrophobicContact CB-CE 3.89Å; I2-M29 HydrophobicContact CD1-CE 3.81Å; I2-M29 HydrophobicContact CD1-SD 4.05Å; I2-M29 HydrophobicContact CG1-CE 4.25Å; I25-M29 HydrophobicContact CG2-CG 4.46Å; I25-M29 HydrophobicContact CG2-SD 4.27Å; I25-M29 WeakPolarHBondContact O-CG 3.41Å; I25-M29 PolarHBondContact O-N 3.1Å; F26-M29 WeakPolarHBondContact O-CB 3.19Å; F26-M29 PolarHBondContact O-N 2.87Å; Q27-M29 VanDerWaalsContact C-N 3.33Å; Q27-M29 PolarHBondContact O-N 3.14Å; M29-K32 CarbonylContact O-C 3.4Å; M29-K32 PolarHBondContact O-N 2.8Å; M29-E33 PolarHBondContact O-N 3.36Å; M29-E33 VanDerWaalsContact O-N 3.07Å; M29-I34 HydrophobicContact CB-CB 4.17Å; M29-I34 HydrophobicContact CE-CB 4.15Å; M29-I34 HydrophobicContact CE-CG2 3.59Å; M29-I34 HydrophobicContact CG-CB 4.45Å; M29-I34 PolarHBondContact O-N 2.83Å; M29-F36 HydrophobicContact CE-CB 3.55Å; M29-F36 HydrophobicContact CE-CD2 3.82Å; M29-F36 HydrophobicContact CE-CG 4.16Å; M29-F36 HydrophobicContact SD-CB 4.28Å; M29-F36 HydrophobicContact SD-CD2 3.96Å; M29-F36 HydrophobicContact SD-CG 4.48Å; M29-M258 HydrophobicContact SD-CE 3.41Å; M29-M258 WeakPolarHBondContact SD-CE 3.21Å; M29-L262 HydrophobicContact CG-CD1 4.02Å; M29-L262 HydrophobicContact CG-CD2 3.93Å |
| 30 | K | 96.8 | Very high | 97.9 | Very high | 79 Ų | 79 | 55.3 Ų | 55.3 | 34% | 0.343 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 177.8 | -71 | 173.5 | 69 | 179.4 | 0 | 112.1 | F26 Q27 Q28 K32 E33 E57 | F26-K30 HydrophobicContact CD1-CD 4.05Å; F26-K30 HydrophobicContact CE1-CD 3.72Å; F26-K30 HydrophobicContact CE1-CG 4.36Å; F26-K30 HydrophobicContact CZ-CD 4.18Å; F26-K30 HydrophobicContact CZ-CG 4.41Å; F26-K30 WeakPolarHBondContact O-CG 3.4Å; F26-K30 PolarHBondContact O-N 3.13Å; Q27-K30 WeakPolarHBondContact O-CB 3.43Å; Q27-K30 PolarHBondContact O-N 3.49Å; Q28-K30 VanDerWaalsContact C-N 3.33Å; K30-K32 PolarHBondContact O-N 3.19Å; K30-E33 PolarHBondContact O-N 3.3Å; K30-E57 WeakPolarHBondContact CE-OE2 3.4Å; K30-E57 IonicContact NZ-OE1 3.56Å; K30-E57 PolarHBondContact NZ-OE1 2.87Å; K30-E57 IonicContact NZ-OE2 3.65Å; K30-E57 PolarHBondContact NZ-OE2 3.02Å |
| 31 | E | 97 | Very high | 97.8 | Very high | 162 Ų | 162 | 48.5 Ų | 48.5 | 76% | 0.757 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -59.9 | -31.6 | 176.8 | -71.7 | 175.9 | 179.7 | 0 | 0 | 112.8 | Q27 Q28 | Q27-E31 WeakPolarHBondContact O-CG 3.45Å; Q27-E31 PolarHBondContact O-N 3.36Å; Q28-E31 PolarHBondContact O-N 3.15Å |
| 32 | K | 97.3 | Very high | 97.6 | Very high | 106 Ų | 106 | 47.5 Ų | 47.5 | 46% | 0.461 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 7.8 | 177.1 | -68.8 | 170.6 | 176.3 | -98.5 | 0 | 113.5 | Q28 M29 K30 I34 L262 | Q28-K32 PolarHBondContact O-N 2.9Å; Q28-K32 VanDerWaalsContact O-N 3.16Å; M29-K32 CarbonylContact O-C 3.4Å; M29-K32 PolarHBondContact O-N 2.8Å; K30-K32 PolarHBondContact O-N 3.19Å; K32-I34 HydrophobicContact CB-CD1 3.83Å; K32-I34 HydrophobicContact CB-CG1 3.93Å; K32-I34 HydrophobicContact CD-CD1 4.23Å; K32-I34 PolarHBondContact O-N 2.98Å; K32-L262 HydrophobicContact CD-CD2 3.88Å; K32-L262 VanDerWaalsContact CE-O 3.27Å; K32-L262 WeakPolarHBondContact CE-O 3.37Å; K32-L262 PolarHBondContact NZ-O 3.41Å |
| 33 | E | 96.5 | Very high | 97.4 | Very high | 176 Ų | 176 | 48 Ų | 48 | 82% | 0.822 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 27.4 | -177.6 | -55.7 | -175.6 | 103.5 | 0 | 0 | 114.2 | M29 K30 | M29-E33 PolarHBondContact O-N 3.36Å; M29-E33 VanDerWaalsContact O-N 3.07Å; K30-E33 PolarHBondContact O-N 3.3Å |
| 34 | I | 98.1 | Very high | 97.3 | Very high | 48 Ų | 48 | 47 Ų | 47 | 25% | 0.246 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -85.2 | 119 | 178.9 | -57.2 | 169.4 | 0 | 0 | 0 | 109.3 | I2 M29 K32 L262 | I2-I34 HydrophobicContact CD1-CG2 4.3Å; I2-I34 HydrophobicContact CG1-CG2 4.33Å; M29-I34 HydrophobicContact CB-CB 4.17Å; M29-I34 HydrophobicContact CE-CB 4.15Å; M29-I34 HydrophobicContact CE-CG2 3.59Å; M29-I34 HydrophobicContact CG-CB 4.45Å; M29-I34 PolarHBondContact O-N 2.83Å; K32-I34 HydrophobicContact CB-CD1 3.83Å; K32-I34 HydrophobicContact CB-CG1 3.93Å; K32-I34 HydrophobicContact CD-CD1 4.23Å; K32-I34 PolarHBondContact O-N 2.98Å; I34-L262 HydrophobicContact CD1-CD2 3.46Å; I34-L262 VanDerWaalsContact CD1-CD2 3.46Å |
| 35 | K | 98.2 | Very high | 97.2 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 28% | 0.283 | 20% | 0.199 | S | C | . | . | P | Polyproline II helix | trans | -70.1 | 127.8 | 173.2 | -58.6 | -60.2 | -173.3 | 178.9 | 0 | 111.3 | M1 I2 E71 W202 I204 | M1-K35 CarbonylContact C-O 3.59Å; M1-K35 WeakPolarHBondContact CA-O 3.42Å; M1-K35 HydrophobicContact CG-CB 4.35Å; I2-K35 PolarHBondContact N-O 3.35Å; K35-E71 IonicContact NZ-OE1 3.07Å; K35-E71 PolarHBondContact NZ-OE1 3.02Å; K35-W202 HydrophobicContact CB-CE3 4.03Å; K35-W202 HydrophobicContact CB-CH2 4.18Å; K35-W202 HydrophobicContact CB-CZ3 3.66Å; K35-W202 HydrophobicContact CG-CD2 4.07Å; K35-W202 HydrophobicContact CG-CE3 3.72Å; K35-W202 HydrophobicContact CG-CH2 4.25Å; K35-W202 HydrophobicContact CG-CZ3 3.81Å; K35-I204 HydrophobicContact CG-CD1 4.37Å |
| 36 | F | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.018 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 129.8 | 168.2 | -171.2 | -108.5 | 0 | 0 | 0 | 109.7 | I2 V4 F10 F22 F26 M29 V38 F51 M58 S59 M258 | I2-F36 HydrophobicContact CB-CD2 4.38Å; I2-F36 HydrophobicContact CG2-CD2 4.03Å; I2-F36 HydrophobicContact CG2-CE2 4.14Å; I2-F36 CarbonylContact O-C 3.56Å; I2-F36 WeakPolarHBondContact O-CA 3.48Å; V4-F36 HydrophobicContact CG1-CE2 3.97Å; V4-F36 HydrophobicContact CG1-CZ 4.34Å; V4-F36 HydrophobicContact CG2-CE1 4.3Å; V4-F36 HydrophobicContact CG2-CE2 3.95Å; V4-F36 HydrophobicContact CG2-CZ 3.5Å; F10-F36 HydrophobicContact CD2-CZ 4.5Å; F10-F36 HydrophobicContact CE2-CZ 4.01Å; F10-F36 HydrophobicContact CZ-CZ 4.33Å; F22-F36 HydrophobicContact CE2-CD1 4.26Å; F22-F36 HydrophobicContact CE2-CD2 4.33Å; F22-F36 AromaticContact CE2-CE1 3.76Å; F22-F36 HydrophobicContact CE2-CE1 3.76Å; F22-F36 AromaticContact CE2-CE2 3.85Å; F22-F36 HydrophobicContact CE2-CE2 3.85Å; F22-F36 AromaticContact CE2-CZ 3.52Å; F22-F36 HydrophobicContact CE2-CZ 3.52Å; F22-F36 AromaticContact CZ-CD1 3.91Å; F22-F36 HydrophobicContact CZ-CD1 3.91Å; F22-F36 AromaticContact CZ-CE1 3.57Å; F22-F36 HydrophobicContact CZ-CE1 3.57Å; F22-F36 HydrophobicContact CZ-CE2 4.45Å; F22-F36 HydrophobicContact CZ-CG 4.47Å; F22-F36 AromaticContact CZ-CZ 3.86Å; F22-F36 HydrophobicContact CZ-CZ 3.86Å; F26-F36 HydrophobicContact CD2-CB 4.12Å; F26-F36 HydrophobicContact CD2-CG 4.45Å; F26-F36 HydrophobicContact CE2-CB 3.85Å; F26-F36 HydrophobicContact CE2-CG 4.48Å; M29-F36 HydrophobicContact CE-CB 3.55Å; M29-F36 HydrophobicContact CE-CD2 3.82Å; M29-F36 HydrophobicContact CE-CG 4.16Å; M29-F36 HydrophobicContact SD-CB 4.28Å; M29-F36 HydrophobicContact SD-CD2 3.96Å; M29-F36 HydrophobicContact SD-CG 4.48Å; F36-V38 HydrophobicContact CD1-CG2 4.41Å; F36-V38 HydrophobicContact CE1-CG2 3.77Å; F36-F51 HydrophobicContact CE1-CE1 4.4Å; F36-F51 HydrophobicContact CE1-CZ 4.34Å; F36-M58 HydrophobicContact CD1-CB 4.28Å; F36-M58 HydrophobicContact CD1-CE 4.29Å; F36-M58 HydrophobicContact CD1-SD 4.25Å; F36-M58 HydrophobicContact CE1-SD 4.45Å; F36-S59 PolarHBondContact O-N 3.23Å; F36-M258 HydrophobicContact CD2-CE 3.76Å; F36-M258 HydrophobicContact CE2-CE 3.53Å; F36-M258 HydrophobicContact CE2-SD 4.16Å |
| 37 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 126.6 | -178.4 | -174 | 0 | 0 | 0 | 0 | 109.6 | M1 I2 A3 V4 S59 V61 L195 L198 W202 | M1-V37 HydrophobicContact CG-CG2 3.84Å; M1-V37 HydrophobicContact SD-CG2 3.75Å; I2-V37 PolarHBondContact O-N 3.43Å; A3-V37 CarbonylContact C-O 3.56Å; A3-V37 VanDerWaalsContact CA-O 3.22Å; A3-V37 WeakPolarHBondContact CA-O 3.27Å; A3-V37 HydrophobicContact CB-CB 4.27Å; V4-V37 PolarHBondContact N-O 3.18Å; V37-S59 CarbonylContact C-O 3.06Å; V37-S59 VanDerWaalsContact CA-O 3.29Å; V37-S59 WeakPolarHBondContact CA-O 3.16Å; V37-V61 HydrophobicContact CG1-CB 4.44Å; V37-V61 HydrophobicContact CG1-CG2 3.8Å; V37-L195 HydrophobicContact CB-CD2 4.24Å; V37-L195 HydrophobicContact CG1-CD2 3.73Å; V37-L198 HydrophobicContact CG1-CD1 3.89Å; V37-L198 HydrophobicContact CG2-CD1 4.18Å; V37-W202 HydrophobicContact CG2-CH2 4.13Å; V37-W202 HydrophobicContact CG2-CZ3 3.98Å |
| 38 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117.8 | 168.5 | 175.8 | 0 | 0 | 0 | 0 | 108.1 | V4 M6 F36 L47 F51 M58 S59 F60 V61 | V4-V38 HydrophobicContact CG2-CG2 4.46Å; M6-V38 HydrophobicContact CG-CG1 3.5Å; M6-V38 VanDerWaalsContact CG-CG1 3.5Å; M6-V38 HydrophobicContact SD-CG1 3.62Å; M6-V38 HydrophobicContact SD-CG2 4.2Å; F36-V38 HydrophobicContact CD1-CG2 4.41Å; F36-V38 HydrophobicContact CE1-CG2 3.77Å; V38-L47 HydrophobicContact CG1-CB 4.47Å; V38-L47 HydrophobicContact CG1-CD1 4.2Å; V38-L47 HydrophobicContact CG1-CD2 4.07Å; V38-L47 HydrophobicContact CG1-CG 4.49Å; V38-F51 HydrophobicContact CG2-CD2 4.47Å; V38-F51 HydrophobicContact CG2-CE2 3.72Å; V38-F51 HydrophobicContact CG2-CZ 4.08Å; V38-M58 HydrophobicContact CG2-SD 4.28Å; V38-S59 PolarHBondContact N-O 3.09Å; V38-F60 HydrophobicContact CB-CD1 3.65Å; V38-F60 HydrophobicContact CB-CE1 3.92Å; V38-F60 HydrophobicContact CG1-CD1 4.06Å; V38-F60 HydrophobicContact CG1-CE1 4.34Å; V38-F60 HydrophobicContact CG2-CD1 4.19Å; V38-F60 HydrophobicContact CG2-CE1 3.95Å; V38-F60 CarbonylContact O-C 3.56Å; V38-F60 WeakPolarHBondContact O-CA 3.11Å; V38-V61 PolarHBondContact O-N 3.28Å |
| 39 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 102.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V4 D5 V61 K191 L195 M221 | V4-A39 PolarHBondContact O-N 3.42Å; D5-A39 WeakPolarHBondContact CA-O 3.06Å; A39-V61 CarbonylContact C-O 3.36Å; A39-V61 WeakPolarHBondContact CA-O 3.36Å; A39-V61 HydrophobicContact CB-CB 4.15Å; A39-K191 HydrophobicContact CB-CB 4.48Å; A39-K191 HydrophobicContact CB-CD 4.3Å; A39-K191 HydrophobicContact CB-CG 4.47Å; A39-K191 WeakPolarHBondContact O-CD 3.06Å; A39-K191 WeakPolarHBondContact O-CE 3.48Å; A39-K191 PolarHBondContact O-NZ 2.88Å; A39-L195 HydrophobicContact CB-CD2 4.49Å; A39-M221 HydrophobicContact CB-SD 3.62Å |
| 40 | S | 97.2 | Very high | 96.7 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | trans | -140 | 156.1 | -170 | 178.3 | 0 | 0 | 0 | 0 | 112.2 | N42 V61 S62 E63 N64 | S40-N42 PolarHBondContact O-N 3.32Å; S40-N42 PolarHBondContact OG-N 2.92Å; S40-N42 VanDerWaalsContact OG-N 3.12Å; S40-V61 PolarHBondContact N-O 3.18Å; S40-S62 CarbonylContact O-C 3.56Å; S40-S62 WeakPolarHBondContact O-CA 3.41Å; S40-E63 PolarHBondContact O-N 3.1Å; S40-N64 PolarHBondContact O-N 3.34Å; S40-N64 VanDerWaalsContact O-N 3.07Å | ||
| 41 | G | 94.9 | Very high | 96.7 | Very high | 3 Ų | 3 | 39 Ų | 39 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -69.4 | -15.9 | 168.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E63 K147 | G41-E63 WeakPolarHBondContact O-CA 3.36Å; G41-K147 PolarHBondContact O-NZ 3.47Å |
| 42 | N | 94.5 | Very high | 96.6 | Very high | 19 Ų | 19 | 35.2 Ų | 35.2 | 10% | 0.102 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -85 | 167.1 | -171.2 | -59 | -20 | 0 | 0 | 0 | 114.1 | D7 S40 Q46 L47 S62 E63 | D7-N42 PolarHBondContact OD2-ND2 2.88Å; S40-N42 PolarHBondContact O-N 3.32Å; S40-N42 PolarHBondContact OG-N 2.92Å; S40-N42 VanDerWaalsContact OG-N 3.12Å; N42-Q46 VanDerWaalsContact CG-OE1 3.24Å; N42-Q46 PolarHBondContact ND2-OE1 3.07Å; N42-L47 HydrophobicContact CB-CD2 4.09Å; N42-L47 HydrophobicContact CB-CG 4.39Å; N42-S62 WeakPolarHBondContact O-CB 3.48Å; N42-E63 PolarHBondContact O-N 2.74Å |
| 43 | Q | 95 | Very high | 96.4 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | trans | -66.5 | 136.6 | 178.9 | -168.9 | 173.7 | 52.1 | 0 | 0 | 111.3 | D45 Q46 L47 E63 Y126 | Q43-D45 HydrophobicContact CG-CB 4.39Å; Q43-D45 PolarHBondContact O-N 3.16Å; Q43-D45 VanDerWaalsContact O-N 3.09Å; Q43-Q46 WeakPolarHBondContact O-CB 3.35Å; Q43-Q46 PolarHBondContact O-N 3.03Å; Q43-L47 PolarHBondContact O-N 2.98Å; Q43-L47 VanDerWaalsContact O-N 3.13Å; Q43-E63 VanDerWaalsContact CA-OE1 3.3Å; Q43-E63 WeakPolarHBondContact CA-OE1 3.46Å; Q43-E63 WeakPolarHBondContact CB-OE1 3.45Å; Q43-Y126 HydrophobicContact CB-CD1 4.07Å | ||
| 44 | Y | 95.6 | Very high | 96.3 | Very high | 32 Ų | 32 | 30 Ų | 30 | 13% | 0.125 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -49.9 | -39.2 | 177.7 | 169 | -121.4 | 0 | 0 | 0 | 113.4 | Q46 L47 K48 F60 I69 | Y44-Q46 VanDerWaalsContact C-N 3.27Å; Y44-Q46 PolarHBondContact O-N 3.2Å; Y44-L47 PolarHBondContact O-N 3.2Å; Y44-K48 HydrophobicContact CD1-CD 4.23Å; Y44-K48 HydrophobicContact CD2-CB 4.33Å; Y44-K48 HydrophobicContact CE1-CD 3.73Å; Y44-K48 HydrophobicContact CE2-CB 3.81Å; Y44-K48 HydrophobicContact CE2-CD 4.12Å; Y44-K48 WeakPolarHBondContact O-CG 3.41Å; Y44-K48 PolarHBondContact O-N 3.03Å; Y44-F60 HydrophobicContact CD2-CB 3.94Å; Y44-F60 HydrophobicContact CD2-CD1 4.19Å; Y44-F60 AromaticContact CD2-CD2 3.96Å; Y44-F60 HydrophobicContact CD2-CD2 3.96Å; Y44-F60 AromaticContact CD2-CG 3.76Å; Y44-F60 HydrophobicContact CD2-CG 3.76Å; Y44-F60 HydrophobicContact CE2-CB 4.3Å; Y44-F60 HydrophobicContact CE2-CD1 4.39Å; Y44-F60 AromaticContact CE2-CD2 3.49Å; Y44-F60 HydrophobicContact CE2-CD2 3.49Å; Y44-F60 VanDerWaalsContact CE2-CD2 3.49Å; Y44-F60 AromaticContact CE2-CE2 3.79Å; Y44-F60 HydrophobicContact CE2-CE2 3.79Å; Y44-F60 AromaticContact CE2-CG 3.81Å; Y44-F60 HydrophobicContact CE2-CG 3.81Å; Y44-F60 HydrophobicContact CE2-CZ 4.38Å; Y44-I69 HydrophobicContact CD1-CG1 3.94Å; Y44-I69 HydrophobicContact CD2-CB 4.46Å; Y44-I69 HydrophobicContact CD2-CG1 3.95Å; Y44-I69 HydrophobicContact CE1-CG1 3.96Å; Y44-I69 HydrophobicContact CE2-CB 4.17Å; Y44-I69 HydrophobicContact CE2-CG1 4Å; Y44-I69 HydrophobicContact CE2-CG2 4.26Å; Y44-I69 HydrophobicContact CG-CG1 3.93Å |
| 45 | D | 94.2 | Very high | 96.2 | Very high | 42 Ų | 42 | 30.5 Ų | 30.5 | 23% | 0.225 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.1 | -32.7 | 178.9 | -74.9 | -24.1 | 0 | 0 | 0 | 113.3 | Q43 K48 P127 S128 | Q43-D45 HydrophobicContact CG-CB 4.39Å; Q43-D45 PolarHBondContact O-N 3.16Å; Q43-D45 VanDerWaalsContact O-N 3.09Å; D45-K48 WeakPolarHBondContact OD1-CE 3.39Å; D45-K48 IonicContact OD1-NZ 2.62Å; D45-K48 PolarHBondContact OD1-NZ 3.2Å; D45-P127 HydrophobicContact CB-CB 4.35Å; D45-P127 HydrophobicContact CB-CG 4.32Å; D45-S128 WeakPolarHBondContact OD2-CB 3.19Å; D45-S128 PolarHBondContact OD2-OG 2.68Å |
| 46 | Q | 95.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.7 | -50.2 | 171.7 | -172.4 | -147.9 | 41.1 | 0 | 0 | 110.1 | N42 Q43 Y44 K48 S49 F50 F124 P127 | N42-Q46 VanDerWaalsContact CG-OE1 3.24Å; N42-Q46 PolarHBondContact ND2-OE1 3.07Å; Q43-Q46 WeakPolarHBondContact O-CB 3.35Å; Q43-Q46 PolarHBondContact O-N 3.03Å; Y44-Q46 VanDerWaalsContact C-N 3.27Å; Y44-Q46 PolarHBondContact O-N 3.2Å; Q46-K48 PolarHBondContact O-N 2.94Å; Q46-S49 VanDerWaalsContact O-CB 3.31Å; Q46-S49 WeakPolarHBondContact O-CB 3.22Å; Q46-S49 PolarHBondContact O-N 3.28Å; Q46-S49 PolarHBondContact O-OG 3.12Å; Q46-F50 HydrophobicContact CG-CE2 3.89Å; Q46-F50 WeakPolarHBondContact O-CD2 3.37Å; Q46-F124 WeakPolarHBondContact CG-O 3.46Å; Q46-P127 HydrophobicContact CB-CG 4.02Å |
| 47 | L | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.3 | -47.8 | -175.5 | -60.6 | 175.3 | 0 | 0 | 0 | 112.2 | M6 V38 N42 Q43 Y44 S49 F50 F51 F60 | M6-L47 HydrophobicContact CB-CD2 4.45Å; M6-L47 HydrophobicContact CG-CD2 3.75Å; V38-L47 HydrophobicContact CG1-CB 4.47Å; V38-L47 HydrophobicContact CG1-CD1 4.2Å; V38-L47 HydrophobicContact CG1-CD2 4.07Å; V38-L47 HydrophobicContact CG1-CG 4.49Å; N42-L47 HydrophobicContact CB-CD2 4.09Å; N42-L47 HydrophobicContact CB-CG 4.39Å; Q43-L47 PolarHBondContact O-N 2.98Å; Q43-L47 VanDerWaalsContact O-N 3.13Å; Y44-L47 PolarHBondContact O-N 3.2Å; L47-S49 PolarHBondContact O-N 2.84Å; L47-F50 PolarHBondContact O-N 3.42Å; L47-F51 WeakPolarHBondContact O-CD2 3.47Å; L47-F60 HydrophobicContact CB-CD1 3.69Å; L47-F60 HydrophobicContact CB-CE1 3.79Å; L47-F60 HydrophobicContact CD1-CD1 4.2Å |
| 48 | K | 96 | Very high | 96 | Very high | 65 Ų | 65 | 34.2 Ų | 34.2 | 28% | 0.283 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.4 | -25.8 | 179 | 79.3 | -169.8 | -170.6 | -166.7 | 0 | 112.8 | Y44 D45 Q46 F50 F51 H55 F60 | Y44-K48 HydrophobicContact CD1-CD 4.23Å; Y44-K48 HydrophobicContact CD2-CB 4.33Å; Y44-K48 HydrophobicContact CE1-CD 3.73Å; Y44-K48 HydrophobicContact CE2-CB 3.81Å; Y44-K48 HydrophobicContact CE2-CD 4.12Å; Y44-K48 WeakPolarHBondContact O-CG 3.41Å; Y44-K48 PolarHBondContact O-N 3.03Å; D45-K48 WeakPolarHBondContact OD1-CE 3.39Å; D45-K48 IonicContact OD1-NZ 2.62Å; D45-K48 PolarHBondContact OD1-NZ 3.2Å; Q46-K48 PolarHBondContact O-N 2.94Å; K48-F50 PolarHBondContact O-N 3.1Å; K48-F51 CarbonylContact O-C 3.44Å; K48-F51 PolarHBondContact O-N 3.43Å; K48-H55 HydrophobicContact CB-CB 3.97Å; K48-F60 HydrophobicContact CB-CZ 4.28Å |
| 49 | S | 95.5 | Very high | 96 | Very high | 70 Ų | 70 | 34.2 Ų | 34.2 | 49% | 0.49 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -67.5 | -23.6 | 179.1 | 80.9 | 0 | 0 | 0 | 0 | 112.7 | Q46 L47 F51 | Q46-S49 VanDerWaalsContact O-CB 3.31Å; Q46-S49 WeakPolarHBondContact O-CB 3.22Å; Q46-S49 PolarHBondContact O-N 3.28Å; Q46-S49 PolarHBondContact O-OG 3.12Å; L47-S49 PolarHBondContact O-N 2.84Å; S49-F51 VanDerWaalsContact C-N 3.28Å |
| 50 | F | 96.8 | Very high | 96 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 6% | 0.057 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -18.2 | 171.8 | -65.5 | -70.1 | 0 | 0 | 0 | 112.9 | M6 L11 K15 Y17 R19 Q46 L47 K48 P52 F124 | M6-F50 HydrophobicContact CE-CB 4.09Å; M6-F50 HydrophobicContact CE-CD2 4.03Å; M6-F50 HydrophobicContact CE-CG 4.14Å; L11-F50 HydrophobicContact CD1-CD1 4.22Å; L11-F50 HydrophobicContact CD1-CD2 4.34Å; L11-F50 HydrophobicContact CD1-CE1 3.81Å; L11-F50 HydrophobicContact CD1-CE2 3.92Å; L11-F50 HydrophobicContact CD1-CG 4.48Å; L11-F50 HydrophobicContact CD1-CZ 3.64Å; L11-F50 HydrophobicContact CD2-CD1 4.17Å; L11-F50 HydrophobicContact CD2-CE1 4.42Å; K15-F50 HydrophobicContact CB-CE1 4.4Å; K15-F50 WeakPolarHBondContact O-CE1 3.42Å; Y17-F50 HydrophobicContact CE1-CB 4.27Å; Y17-F50 WeakPolarHBondContact CE1-O 3.11Å; Y17-F50 PolarHBondContact OH-O 2.98Å; R19-F50 PolarHBondContact NH1-O 3.25Å; Q46-F50 HydrophobicContact CG-CE2 3.89Å; Q46-F50 WeakPolarHBondContact O-CD2 3.37Å; L47-F50 PolarHBondContact O-N 3.42Å; K48-F50 PolarHBondContact O-N 3.1Å; F50-P52 VanDerWaalsContact C-CD 3.42Å; F50-P52 WeakPolarHBondContact O-CD 3.27Å; F50-F124 HydrophobicContact CZ-CZ 4.01Å |
| 51 | F | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | trans | -125.3 | 57 | -175.3 | -56.5 | -80.5 | 0 | 0 | 0 | 112.5 | M6 F10 Y17 F22 F36 V38 L47 K48 S49 E53 N54 H55 M58 F60 | M6-F51 HydrophobicContact CE-CE2 3.5Å; M6-F51 HydrophobicContact CE-CZ 3.66Å; M6-F51 HydrophobicContact SD-CE2 3.95Å; M6-F51 HydrophobicContact SD-CZ 4.01Å; F10-F51 HydrophobicContact CD1-CZ 4.15Å; F10-F51 AromaticContact CE1-CE1 3.79Å; F10-F51 HydrophobicContact CE1-CE1 3.79Å; F10-F51 AromaticContact CE1-CZ 3.71Å; F10-F51 HydrophobicContact CE1-CZ 3.71Å; F10-F51 HydrophobicContact CZ-CE1 4.19Å; F10-F51 HydrophobicContact CZ-CZ 4.36Å; Y17-F51 HydrophobicContact CE1-CE1 4.18Å; Y17-F51 HydrophobicContact CE2-CE1 4.18Å; Y17-F51 AromaticContact CZ-CD1 3.89Å; Y17-F51 AromaticContact CZ-CE1 3.69Å; Y17-F51 WeakPolarHBondContact OH-CD1 3.39Å; Y17-F51 WeakPolarHBondContact OH-CE1 3.48Å; F22-F51 HydrophobicContact CD1-CD1 4.26Å; F22-F51 HydrophobicContact CD1-CE1 4.13Å; F22-F51 AromaticContact CE1-CD1 3.64Å; F22-F51 HydrophobicContact CE1-CD1 3.64Å; F22-F51 AromaticContact CE1-CE1 3.63Å; F22-F51 HydrophobicContact CE1-CE1 3.63Å; F22-F51 HydrophobicContact CZ-CD1 4.19Å; F22-F51 AromaticContact CZ-CE1 3.85Å; F22-F51 HydrophobicContact CZ-CE1 3.85Å; F36-F51 HydrophobicContact CE1-CE1 4.4Å; F36-F51 HydrophobicContact CE1-CZ 4.34Å; V38-F51 HydrophobicContact CG2-CD2 4.47Å; V38-F51 HydrophobicContact CG2-CE2 3.72Å; V38-F51 HydrophobicContact CG2-CZ 4.08Å; L47-F51 WeakPolarHBondContact O-CD2 3.47Å; K48-F51 CarbonylContact O-C 3.44Å; K48-F51 PolarHBondContact O-N 3.43Å; S49-F51 VanDerWaalsContact C-N 3.28Å; F51-E53 PolarHBondContact O-N 3.26Å; F51-E53 VanDerWaalsContact O-N 3.08Å; F51-N54 PolarHBondContact O-N 2.89Å; F51-H55 HydrophobicContact CB-CB 4.14Å; F51-H55 VanDerWaalsContact O-CB 3.26Å; F51-H55 WeakPolarHBondContact O-CB 3.42Å; F51-H55 PolarHBondContact O-CD2 3.19Å; F51-H55 PolarHBondContact O-N 3.49Å; F51-M58 HydrophobicContact CB-CE 3.75Å; F51-M58 HydrophobicContact CB-SD 3.99Å; F51-M58 HydrophobicContact CD1-CE 3.71Å; F51-M58 HydrophobicContact CD1-SD 4.23Å; F51-M58 HydrophobicContact CD2-CE 4.42Å; F51-M58 HydrophobicContact CD2-SD 3.9Å; F51-M58 HydrophobicContact CE1-CE 4.4Å; F51-M58 HydrophobicContact CE2-SD 4.44Å; F51-M58 HydrophobicContact CG-CE 3.71Å; F51-M58 HydrophobicContact CG-SD 3.78Å; F51-F60 HydrophobicContact CD2-CE1 4.23Å; F51-F60 HydrophobicContact CD2-CZ 4.35Å | ||
| 52 | P | 94.7 | Very high | 96.2 | Very high | 83 Ų | 83 | 34 Ų | 34 | 54% | 0.539 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -28.4 | -171.8 | 24.9 | -34.8 | 0 | 0 | 0 | 113.9 | F50 | F50-P52 VanDerWaalsContact C-CD 3.42Å; F50-P52 WeakPolarHBondContact O-CD 3.27Å |
| 53 | E | 93.5 | Very high | 96.3 | Very high | 161 Ų | 161 | 33.3 Ų | 33.3 | 75% | 0.752 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | -26.1 | -177 | -61.4 | -177 | 171.9 | 0 | 0 | 113.2 | F51 | F51-E53 PolarHBondContact O-N 3.26Å; F51-E53 VanDerWaalsContact O-N 3.08Å |
| 54 | N | 94.8 | Very high | 96.4 | Very high | 13 Ų | 13 | 32.9 Ų | 32.9 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | -12.6 | -168.3 | -51.7 | 106.1 | 0 | 0 | 0 | 114 | F26 F51 A56 E57 M58 | F26-N54 HydrophobicContact CD1-CB 4.06Å; F26-N54 WeakPolarHBondContact CD1-ND2 3.4Å; F26-N54 HydrophobicContact CE1-CB 3.74Å; F26-N54 HydrophobicContact CZ-CB 4.35Å; F51-N54 PolarHBondContact O-N 2.89Å; N54-A56 PolarHBondContact O-N 3.45Å; N54-E57 PolarHBondContact O-N 3.36Å; N54-M58 HydrophobicContact CB-CE 3.52Å |
| 55 | H | 96.5 | Very high | 96.6 | Very high | 58 Ų | 58 | 31.4 Ų | 31.4 | 27% | 0.269 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -56.6 | -29.2 | -169.2 | 74.3 | 84.7 | 0 | 0 | 0 | 113.9 | K48 F51 E57 M58 F60 | K48-H55 HydrophobicContact CB-CB 3.97Å; F51-H55 HydrophobicContact CB-CB 4.14Å; F51-H55 VanDerWaalsContact O-CB 3.26Å; F51-H55 WeakPolarHBondContact O-CB 3.42Å; F51-H55 PolarHBondContact O-CD2 3.19Å; F51-H55 PolarHBondContact O-N 3.49Å; H55-E57 PolarHBondContact O-N 3.47Å; H55-M58 WeakPolarHBondContact O-CG 3.33Å; H55-F60 HydrophobicContact CB-CE2 4.05Å; H55-F60 HydrophobicContact CB-CZ 3.9Å; H55-F60 WeakPolarHBondContact O-CE2 3.35Å |
| 56 | A | 96.2 | Very high | 96.7 | Very high | 53 Ų | 53 | 29.5 Ų | 29.5 | 44% | 0.438 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -73.2 | -14.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N54 E71 | N54-A56 PolarHBondContact O-N 3.45Å; A56-E71 CarbonylContact O-C 3.48Å; A56-E71 WeakPolarHBondContact O-CA 3.37Å; A56-E71 WeakPolarHBondContact O-CB 3.22Å |
| 57 | E | 97.2 | Very high | 96.9 | Very high | 91 Ų | 91 | 29.9 Ų | 29.9 | 43% | 0.425 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -109.2 | 5 | -178.4 | -56.6 | -170.8 | -71.6 | 0 | 0 | 112.8 | F26 K30 N54 H55 | F26-E57 HydrophobicContact CE1-CB 4.21Å; F26-E57 HydrophobicContact CZ-CB 3.99Å; K30-E57 WeakPolarHBondContact CE-OE2 3.4Å; K30-E57 IonicContact NZ-OE1 3.56Å; K30-E57 PolarHBondContact NZ-OE1 2.87Å; K30-E57 IonicContact NZ-OE2 3.65Å; K30-E57 PolarHBondContact NZ-OE2 3.02Å; N54-E57 PolarHBondContact O-N 3.36Å; H55-E57 PolarHBondContact O-N 3.47Å |
| 58 | M | 97.8 | Very high | 97 | Very high | 2 Ų | 2 | 29.9 Ų | 29.9 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -121.3 | 171 | 176.8 | 64.2 | 179.7 | 67.3 | 0 | 0 | 110.8 | F22 F26 F36 V38 F51 N54 H55 F60 E71 | F22-M58 HydrophobicContact CE1-CE 4.27Å; F22-M58 HydrophobicContact CZ-CE 4.26Å; F26-M58 HydrophobicContact CE2-CB 4.37Å; F26-M58 HydrophobicContact CE2-CE 4.48Å; F26-M58 HydrophobicContact CZ-CB 4.42Å; F26-M58 HydrophobicContact CZ-CE 4.46Å; F36-M58 HydrophobicContact CD1-CB 4.28Å; F36-M58 HydrophobicContact CD1-CE 4.29Å; F36-M58 HydrophobicContact CD1-SD 4.25Å; F36-M58 HydrophobicContact CE1-SD 4.45Å; V38-M58 HydrophobicContact CG2-SD 4.28Å; F51-M58 HydrophobicContact CB-CE 3.75Å; F51-M58 HydrophobicContact CB-SD 3.99Å; F51-M58 HydrophobicContact CD1-CE 3.71Å; F51-M58 HydrophobicContact CD1-SD 4.23Å; F51-M58 HydrophobicContact CD2-CE 4.42Å; F51-M58 HydrophobicContact CD2-SD 3.9Å; F51-M58 HydrophobicContact CE1-CE 4.4Å; F51-M58 HydrophobicContact CE2-SD 4.44Å; F51-M58 HydrophobicContact CG-CE 3.71Å; F51-M58 HydrophobicContact CG-SD 3.78Å; N54-M58 HydrophobicContact CB-CE 3.52Å; H55-M58 WeakPolarHBondContact O-CG 3.33Å; M58-F60 HydrophobicContact CG-CD2 4.34Å; M58-F60 HydrophobicContact CG-CE2 3.47Å; M58-F60 VanDerWaalsContact CG-CE2 3.47Å; M58-F60 HydrophobicContact CG-CZ 3.64Å; M58-F60 HydrophobicContact SD-CE1 4.06Å; M58-F60 HydrophobicContact SD-CE2 3.9Å; M58-F60 HydrophobicContact SD-CZ 3.37Å; M58-F60 WeakPolarHBondContact SD-CZ 3.49Å; M58-E71 WeakPolarHBondContact O-CA 3.43Å; M58-E71 PolarHBondContact O-N 3.44Å |
| 59 | S | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 150.4 | 177.7 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | F36 V37 V38 I69 V70 W202 | F36-S59 PolarHBondContact O-N 3.23Å; V37-S59 CarbonylContact C-O 3.06Å; V37-S59 VanDerWaalsContact CA-O 3.29Å; V37-S59 WeakPolarHBondContact CA-O 3.16Å; V38-S59 PolarHBondContact N-O 3.09Å; S59-I69 CarbonylContact C-O 3.54Å; S59-I69 VanDerWaalsContact CA-O 3.23Å; S59-I69 WeakPolarHBondContact CA-O 3.41Å; S59-I69 WeakPolarHBondContact CB-O 3.33Å; S59-V70 WeakPolarHBondContact OG-CA 3.33Å; S59-W202 WeakPolarHBondContact OG-CH2 3.26Å |
| 60 | F | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 125.9 | -179.2 | -63.1 | -96.4 | 0 | 0 | 0 | 109.1 | V38 Y44 L47 K48 F51 H55 M58 I68 I69 | V38-F60 HydrophobicContact CB-CD1 3.65Å; V38-F60 HydrophobicContact CB-CE1 3.92Å; V38-F60 HydrophobicContact CG1-CD1 4.06Å; V38-F60 HydrophobicContact CG1-CE1 4.34Å; V38-F60 HydrophobicContact CG2-CD1 4.19Å; V38-F60 HydrophobicContact CG2-CE1 3.95Å; V38-F60 CarbonylContact O-C 3.56Å; V38-F60 WeakPolarHBondContact O-CA 3.11Å; Y44-F60 HydrophobicContact CD2-CB 3.94Å; Y44-F60 HydrophobicContact CD2-CD1 4.19Å; Y44-F60 AromaticContact CD2-CD2 3.96Å; Y44-F60 HydrophobicContact CD2-CD2 3.96Å; Y44-F60 AromaticContact CD2-CG 3.76Å; Y44-F60 HydrophobicContact CD2-CG 3.76Å; Y44-F60 HydrophobicContact CE2-CB 4.3Å; Y44-F60 HydrophobicContact CE2-CD1 4.39Å; Y44-F60 AromaticContact CE2-CD2 3.49Å; Y44-F60 HydrophobicContact CE2-CD2 3.49Å; Y44-F60 VanDerWaalsContact CE2-CD2 3.49Å; Y44-F60 AromaticContact CE2-CE2 3.79Å; Y44-F60 HydrophobicContact CE2-CE2 3.79Å; Y44-F60 AromaticContact CE2-CG 3.81Å; Y44-F60 HydrophobicContact CE2-CG 3.81Å; Y44-F60 HydrophobicContact CE2-CZ 4.38Å; L47-F60 HydrophobicContact CB-CD1 3.69Å; L47-F60 HydrophobicContact CB-CE1 3.79Å; L47-F60 HydrophobicContact CD1-CD1 4.2Å; K48-F60 HydrophobicContact CB-CZ 4.28Å; F51-F60 HydrophobicContact CD2-CE1 4.23Å; F51-F60 HydrophobicContact CD2-CZ 4.35Å; H55-F60 HydrophobicContact CB-CE2 4.05Å; H55-F60 HydrophobicContact CB-CZ 3.9Å; H55-F60 WeakPolarHBondContact O-CE2 3.35Å; M58-F60 HydrophobicContact CG-CD2 4.34Å; M58-F60 HydrophobicContact CG-CE2 3.47Å; M58-F60 VanDerWaalsContact CG-CE2 3.47Å; M58-F60 HydrophobicContact CG-CZ 3.64Å; M58-F60 HydrophobicContact SD-CE1 4.06Å; M58-F60 HydrophobicContact SD-CE2 3.9Å; M58-F60 HydrophobicContact SD-CZ 3.37Å; M58-F60 WeakPolarHBondContact SD-CZ 3.49Å; F60-I68 VanDerWaalsContact O-CA 3.25Å; F60-I68 WeakPolarHBondContact O-CA 3.5Å; F60-I69 HydrophobicContact CB-CB 4.48Å; F60-I69 PolarHBondContact N-O 3.37Å; F60-I69 PolarHBondContact O-N 2.87Å |
| 61 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 83.1 | 165.3 | 176.6 | 0 | 0 | 0 | 0 | 105.7 | V37 V38 A39 S40 G65 I68 L195 L198 | V37-V61 HydrophobicContact CG1-CB 4.44Å; V37-V61 HydrophobicContact CG1-CG2 3.8Å; V38-V61 PolarHBondContact O-N 3.28Å; A39-V61 CarbonylContact C-O 3.36Å; A39-V61 WeakPolarHBondContact CA-O 3.36Å; A39-V61 HydrophobicContact CB-CB 4.15Å; S40-V61 PolarHBondContact N-O 3.18Å; V61-G65 VanDerWaalsContact CG1-CA 3.43Å; V61-I68 HydrophobicContact CG2-CG1 4.44Å; V61-I68 HydrophobicContact CG2-CG2 4.37Å; V61-L195 HydrophobicContact CG2-CD2 4.15Å; V61-L198 HydrophobicContact CG2-CD1 3.59Å; V61-L198 HydrophobicContact CG2-CG 4.44Å |
| 62 | S | 97.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 165 | -176.6 | 52.9 | 0 | 0 | 0 | 0 | 111.1 | S40 N42 N64 G65 A66 N67 | S40-S62 CarbonylContact O-C 3.56Å; S40-S62 WeakPolarHBondContact O-CA 3.41Å; N42-S62 WeakPolarHBondContact O-CB 3.48Å; S62-N64 PolarHBondContact O-N 3.2Å; S62-G65 WeakPolarHBondContact O-CA 3.44Å; S62-G65 PolarHBondContact O-N 3.34Å; S62-A66 PolarHBondContact O-N 3.3Å; S62-N67 PolarHBondContact N-O 3.32Å; S62-N67 PolarHBondContact O-N 3.19Å; S62-N67 WeakPolarHBondContact OG-CB 2.99Å; S62-N67 PolarHBondContact OG-O 3.05Å; S62-N67 PolarHBondContact OG-OD1 3.34Å; S62-N67 VanDerWaalsContact OG-OD1 3.11Å |
| 63 | E | 96.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | 54.8 | 40.8 | 175.4 | -57 | -78.6 | -173.9 | 0 | 0 | 112.2 | S40 G41 N42 Q43 G65 A66 F146 K147 | S40-E63 PolarHBondContact O-N 3.1Å; G41-E63 WeakPolarHBondContact O-CA 3.36Å; N42-E63 PolarHBondContact O-N 2.74Å; Q43-E63 VanDerWaalsContact CA-OE1 3.3Å; Q43-E63 WeakPolarHBondContact CA-OE1 3.46Å; Q43-E63 WeakPolarHBondContact CB-OE1 3.45Å; E63-G65 VanDerWaalsContact C-N 3.25Å; E63-G65 PolarHBondContact O-N 2.94Å; E63-A66 HydrophobicContact CB-CB 4.06Å; E63-A66 VanDerWaalsContact O-CB 3.3Å; E63-A66 WeakPolarHBondContact O-CB 3.37Å; E63-A66 PolarHBondContact O-N 2.85Å; E63-F146 HydrophobicContact CB-CD2 4Å; E63-F146 HydrophobicContact CB-CE2 3.4Å; E63-F146 VanDerWaalsContact CB-CE2 3.4Å; E63-F146 HydrophobicContact CB-CZ 4Å; E63-F146 VanDerWaalsContact CD-CE2 3.49Å; E63-F146 HydrophobicContact CG-CD2 4.4Å; E63-F146 HydrophobicContact CG-CE2 3.35Å; E63-F146 HydrophobicContact CG-CZ 3.56Å; E63-K147 WeakPolarHBondContact OE2-CE 3.48Å; E63-K147 IonicContact OE2-NZ 2.69Å; E63-K147 PolarHBondContact OE2-NZ 3.15Å; E63-K147 VanDerWaalsContact OE2-NZ 3.07Å |
| 64 | N | 97.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | 54 | 39.1 | -172.9 | -57 | -66.2 | 0 | 0 | 0 | 113 | S40 S62 A66 D183 I185 I189 H190 K191 N217 | S40-N64 PolarHBondContact O-N 3.34Å; S40-N64 VanDerWaalsContact O-N 3.07Å; S62-N64 PolarHBondContact O-N 3.2Å; N64-A66 VanDerWaalsContact C-N 3.33Å; N64-A66 PolarHBondContact O-N 2.74Å; N64-D183 PolarHBondContact ND2-OD2 2.62Å; N64-I185 HydrophobicContact CB-CG2 3.8Å; N64-I189 CarbonylContact O-C 3.55Å; N64-H190 CarbonylContact O-C 3.55Å; N64-H190 WeakPolarHBondContact O-CA 3.37Å; N64-H190 PolarHBondContact O-N 3.39Å; N64-K191 PolarHBondContact O-N 2.86Å; N64-N217 PolarHBondContact OD1-ND2 2.99Å |
| 65 | G | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | 83.6 | 3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V61 S62 E63 N67 Y76 | V61-G65 VanDerWaalsContact CG1-CA 3.43Å; S62-G65 WeakPolarHBondContact O-CA 3.44Å; S62-G65 PolarHBondContact O-N 3.34Å; E63-G65 VanDerWaalsContact C-N 3.25Å; E63-G65 PolarHBondContact O-N 2.94Å; G65-N67 PolarHBondContact O-N 3.31Å; G65-Y76 WeakPolarHBondContact O-CE1 3.41Å |
| 66 | A | 98 | Very high | 97.5 | Very high | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -23.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113 | S62 E63 N64 N77 A78 F146 I189 | S62-A66 PolarHBondContact O-N 3.3Å; E63-A66 HydrophobicContact CB-CB 4.06Å; E63-A66 VanDerWaalsContact O-CB 3.3Å; E63-A66 WeakPolarHBondContact O-CB 3.37Å; E63-A66 PolarHBondContact O-N 2.85Å; N64-A66 VanDerWaalsContact C-N 3.33Å; N64-A66 PolarHBondContact O-N 2.74Å; A66-N77 CarbonylContact O-C 3.53Å; A66-N77 VanDerWaalsContact O-CA 3.28Å; A66-N77 WeakPolarHBondContact O-CA 3.37Å; A66-A78 HydrophobicContact CB-CB 4.08Å; A66-A78 PolarHBondContact O-N 2.85Å; A66-F146 HydrophobicContact CB-CB 3.77Å; A66-F146 HydrophobicContact CB-CD1 4.37Å; A66-F146 HydrophobicContact CB-CD2 3.52Å; A66-F146 HydrophobicContact CB-CE2 4.3Å; A66-F146 HydrophobicContact CB-CG 3.62Å; A66-I189 HydrophobicContact CB-CG2 4.07Å |
| 67 | N | 98.2 | Very high | 97.6 | Very high | 11 Ų | 11 | 31.8 Ų | 31.8 | 6% | 0.059 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 129.3 | 174.8 | -176.8 | -106.9 | 0 | 0 | 0 | 109.7 | S62 G65 N77 | S62-N67 PolarHBondContact N-O 3.32Å; S62-N67 PolarHBondContact O-N 3.19Å; S62-N67 WeakPolarHBondContact OG-CB 2.99Å; S62-N67 PolarHBondContact OG-O 3.05Å; S62-N67 PolarHBondContact OG-OD1 3.34Å; S62-N67 VanDerWaalsContact OG-OD1 3.11Å; G65-N67 PolarHBondContact O-N 3.31Å; N67-N77 PolarHBondContact ND2-OD1 3.1Å |
| 68 | I | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 124.6 | -178.8 | -51.8 | 176.9 | 0 | 0 | 0 | 110 | F60 V61 V70 Y75 Y76 K197 L198 | F60-I68 VanDerWaalsContact O-CA 3.25Å; F60-I68 WeakPolarHBondContact O-CA 3.5Å; V61-I68 HydrophobicContact CG2-CG1 4.44Å; V61-I68 HydrophobicContact CG2-CG2 4.37Å; I68-V70 HydrophobicContact CG2-CG2 4.37Å; I68-Y75 HydrophobicContact CB-CD1 4.27Å; I68-Y75 HydrophobicContact CG2-CD1 4Å; I68-Y75 PolarHBondContact O-N 3.2Å; I68-Y76 HydrophobicContact CD1-CD1 3.9Å; I68-Y76 HydrophobicContact CD1-CG 4.34Å; I68-Y76 HydrophobicContact CG1-CD1 4.08Å; I68-Y76 PolarHBondContact N-O 3.12Å; I68-Y76 PolarHBondContact O-N 2.9Å; I68-K197 HydrophobicContact CD1-CB 4.43Å; I68-K197 HydrophobicContact CD1-CD 3.84Å; I68-L198 HydrophobicContact CG2-CD1 4.18Å; I68-L198 HydrophobicContact CG2-CD2 3.74Å; I68-L198 HydrophobicContact CG2-CG 4.14Å |
| 69 | I | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 128.7 | 174.1 | -51.9 | -59.1 | 0 | 0 | 0 | 107.8 | Y44 S59 F60 T73 H74 | Y44-I69 HydrophobicContact CD1-CG1 3.94Å; Y44-I69 HydrophobicContact CD2-CB 4.46Å; Y44-I69 HydrophobicContact CD2-CG1 3.95Å; Y44-I69 HydrophobicContact CE1-CG1 3.96Å; Y44-I69 HydrophobicContact CE2-CB 4.17Å; Y44-I69 HydrophobicContact CE2-CG1 4Å; Y44-I69 HydrophobicContact CE2-CG2 4.26Å; Y44-I69 HydrophobicContact CG-CG1 3.93Å; S59-I69 CarbonylContact C-O 3.54Å; S59-I69 VanDerWaalsContact CA-O 3.23Å; S59-I69 WeakPolarHBondContact CA-O 3.41Å; S59-I69 WeakPolarHBondContact CB-O 3.33Å; F60-I69 HydrophobicContact CB-CB 4.48Å; F60-I69 PolarHBondContact N-O 3.37Å; F60-I69 PolarHBondContact O-N 2.87Å; I69-T73 CarbonylContact C-O 3.57Å; I69-T73 WeakPolarHBondContact CA-O 3.43Å; I69-H74 HydrophobicContact CD1-CB 4.32Å; I69-H74 WeakPolarHBondContact CD1-ND1 3.39Å |
| 70 | V | 98.2 | Very high | 97.5 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 13% | 0.133 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 112 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 108.2 | S59 I68 G72 T73 Y75 L198 W202 | S59-V70 WeakPolarHBondContact OG-CA 3.33Å; I68-V70 HydrophobicContact CG2-CG2 4.37Å; V70-G72 VanDerWaalsContact C-N 3.29Å; V70-G72 PolarHBondContact O-N 3.36Å; V70-T73 PolarHBondContact N-O 3.34Å; V70-T73 WeakPolarHBondContact O-CA 3.26Å; V70-T73 WeakPolarHBondContact O-CB 3.5Å; V70-T73 PolarHBondContact O-N 2.88Å; V70-Y75 HydrophobicContact CG2-CD2 4.23Å; V70-Y75 HydrophobicContact CG2-CG 3.93Å; V70-L198 HydrophobicContact CG2-CD2 3.35Å; V70-W202 HydrophobicContact CG1-CZ2 3.87Å; V70-W202 HydrophobicContact CG2-CZ2 4.2Å |
| 71 | E | 95.9 | Very high | 97.4 | Very high | 79 Ų | 79 | 39.6 Ų | 39.6 | 37% | 0.369 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 50.6 | 172.8 | -61.7 | 171.5 | -170.7 | 0 | 0 | 111.8 | K35 A56 M58 T73 | K35-E71 IonicContact NZ-OE1 3.07Å; K35-E71 PolarHBondContact NZ-OE1 3.02Å; A56-E71 CarbonylContact O-C 3.48Å; A56-E71 WeakPolarHBondContact O-CA 3.37Å; A56-E71 WeakPolarHBondContact O-CB 3.22Å; M58-E71 WeakPolarHBondContact O-CA 3.43Å; M58-E71 PolarHBondContact O-N 3.44Å; E71-T73 PolarHBondContact O-N 2.88Å |
| 72 | G | 94.6 | Very high | 97.3 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 43% | 0.433 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | -3.8 | -178 | 0 | 0 | 0 | 0 | 0 | 116.1 | V70 | V70-G72 VanDerWaalsContact C-N 3.29Å; V70-G72 PolarHBondContact O-N 3.36Å |
| 73 | T | 96.9 | Very high | 97.2 | Very high | 96 Ų | 96 | 47.6 Ų | 47.6 | 59% | 0.589 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 132 | -179.2 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | I69 V70 E71 Y75 | I69-T73 CarbonylContact C-O 3.57Å; I69-T73 WeakPolarHBondContact CA-O 3.43Å; V70-T73 PolarHBondContact N-O 3.34Å; V70-T73 WeakPolarHBondContact O-CA 3.26Å; V70-T73 WeakPolarHBondContact O-CB 3.5Å; V70-T73 PolarHBondContact O-N 2.88Å; E71-T73 PolarHBondContact O-N 2.88Å; T73-Y75 PolarHBondContact O-N 3.39Å |
| 74 | H | 96 | Very high | 97.2 | Very high | 129 Ų | 129 | 49.7 Ų | 49.7 | 60% | 0.597 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 121.3 | 172.3 | -72.3 | -83.1 | 0 | 0 | 0 | 110.7 | I69 | I69-H74 HydrophobicContact CD1-CB 4.32Å; I69-H74 WeakPolarHBondContact CD1-ND1 3.39Å |
| 75 | Y | 97.6 | Very high | 97.2 | Very high | 92 Ų | 92 | 49.7 Ų | 49.7 | 36% | 0.361 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | -46.2 | -177.8 | 179.3 | -99 | 0 | 0 | 0 | 112.2 | I68 V70 T73 K197 L198 E201 | I68-Y75 HydrophobicContact CB-CD1 4.27Å; I68-Y75 HydrophobicContact CG2-CD1 4Å; I68-Y75 PolarHBondContact O-N 3.2Å; V70-Y75 HydrophobicContact CG2-CD2 4.23Å; V70-Y75 HydrophobicContact CG2-CG 3.93Å; T73-Y75 PolarHBondContact O-N 3.39Å; Y75-K197 HydrophobicContact CE1-CB 4.15Å; Y75-L198 HydrophobicContact CD1-CD2 4.24Å; Y75-L198 HydrophobicContact CE1-CD2 4.36Å; Y75-E201 HydrophobicContact CE2-CG 4.12Å; Y75-E201 PolarHBondContact OH-OE2 2.93Å |
| 76 | Y | 98.1 | Very high | 97.1 | Very high | 67 Ų | 67 | 52.5 Ų | 52.5 | 26% | 0.263 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 147.5 | -177.3 | 174.3 | -101.3 | 0 | 0 | 0 | 111.7 | G65 I68 A78 I189 K197 | G65-Y76 WeakPolarHBondContact O-CE1 3.41Å; I68-Y76 HydrophobicContact CD1-CD1 3.9Å; I68-Y76 HydrophobicContact CD1-CG 4.34Å; I68-Y76 HydrophobicContact CG1-CD1 4.08Å; I68-Y76 PolarHBondContact N-O 3.12Å; I68-Y76 PolarHBondContact O-N 2.9Å; Y76-A78 HydrophobicContact CE1-CB 3.93Å; Y76-A78 WeakPolarHBondContact OH-CB 3.43Å; Y76-I189 WeakPolarHBondContact OH-CD1 3.32Å; Y76-K197 HydrophobicContact CD1-CD 4.2Å; Y76-K197 HydrophobicContact CD2-CD 4.37Å; Y76-K197 HydrophobicContact CG-CD 4.13Å |
| 77 | N | 97.8 | Very high | 96.9 | Very high | 28 Ų | 28 | 56.5 Ų | 56.5 | 15% | 0.15 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 125.3 | 169.7 | -162.3 | 86.1 | 0 | 0 | 0 | 109.3 | A66 N67 K105 | A66-N77 CarbonylContact O-C 3.53Å; A66-N77 VanDerWaalsContact O-CA 3.28Å; A66-N77 WeakPolarHBondContact O-CA 3.37Å; N67-N77 PolarHBondContact ND2-OD1 3.1Å; N77-K105 HydrophobicContact CB-CD 4.32Å; N77-K105 WeakPolarHBondContact OD1-CG 3.38Å |
| 78 | A | 97.5 | Very high | 96.8 | Very high | 5 Ų | 5 | 56 Ų | 56 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | trans | -80.7 | 161.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | A66 Y76 F146 I186 I189 | A66-A78 HydrophobicContact CB-CB 4.08Å; A66-A78 PolarHBondContact O-N 2.85Å; Y76-A78 HydrophobicContact CE1-CB 3.93Å; Y76-A78 WeakPolarHBondContact OH-CB 3.43Å; A78-F146 HydrophobicContact CB-CB 4.39Å; A78-I186 HydrophobicContact CB-CD1 3.78Å; A78-I189 HydrophobicContact CB-CG1 4.43Å; A78-I189 HydrophobicContact CB-CG2 4.19Å | ||
| 79 | R | 97.4 | Very high | 96.7 | Very high | 181 Ų | 181 | 56.3 Ų | 56.3 | 68% | 0.683 | 29% | 0.287 | S | S | * | . | trans | -151.1 | 140 | 173.8 | 60 | -179.7 | 162.3 | -172.8 | -6 | 110.8 | E144 I145 | R79-E144 HydrophobicContact CB-CB 4.26Å; R79-E144 IonicContact NH1-OE1 3.59Å; R79-I145 CarbonylContact C-O 3.55Å; R79-I145 WeakPolarHBondContact CA-O 3.38Å | ||
| 80 | L | 97 | Very high | 96.4 | Very high | 21 Ų | 21 | 63.3 Ų | 63.3 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | trans | -85.4 | 150.7 | 167.3 | -69.5 | 167.6 | 0 | 0 | 0 | 110 | I84 V85 I145 F148 M172 I186 | L80-I84 HydrophobicContact CD2-CG2 4.2Å; L80-V85 HydrophobicContact CB-CG2 3.65Å; L80-V85 HydrophobicContact CD1-CG2 4.14Å; L80-I145 PolarHBondContact N-O 3.31Å; L80-F148 HydrophobicContact CD1-CE2 4.06Å; L80-M172 HydrophobicContact CD1-CE 3.81Å; L80-M172 HydrophobicContact CD1-SD 3.66Å; L80-M172 HydrophobicContact CD2-SD 3.61Å; L80-M172 HydrophobicContact CG-SD 4.27Å; L80-I186 HydrophobicContact CD1-CG1 4.41Å; L80-I186 HydrophobicContact CD2-CB 4.4Å; L80-I186 HydrophobicContact CD2-CD1 3.85Å; L80-I186 HydrophobicContact CD2-CG1 3.72Å; L80-I186 HydrophobicContact CD2-CG2 4.17Å; L80-I186 HydrophobicContact CG-CD1 3.75Å; L80-I186 HydrophobicContact CG-CG1 3.88Å | ||
| 81 | A | 96.4 | Very high | 96.1 | Very high | 51 Ų | 51 | 65.8 Ų | 65.8 | 42% | 0.421 | 33% | 0.328 | S | S | . | . | trans | -69.3 | 141.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | D83 I84 V85 | A81-D83 VanDerWaalsContact C-N 3.25Å; A81-D83 WeakPolarHBondContact CB-OD1 3.39Å; A81-D83 PolarHBondContact O-N 3.08Å; A81-I84 HydrophobicContact CB-CD1 4.21Å; A81-I84 HydrophobicContact CB-CG1 4.36Å; A81-I84 WeakPolarHBondContact O-CB 3.18Å; A81-I84 PolarHBondContact O-N 2.99Å; A81-I84 VanDerWaalsContact O-N 3.1Å; A81-V85 PolarHBondContact O-N 3.18Å; A81-V85 VanDerWaalsContact O-N 3.09Å | ||
| 82 | M | 97.2 | Very high | 95.9 | Very high | 60 Ų | 60 | 62 Ų | 62 | 30% | 0.296 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67 | -27.4 | -170.9 | -173.3 | 56.9 | 65.3 | 0 | 0 | 113 | V85 L86 V138 A139 I145 | M82-V85 WeakPolarHBondContact O-CB 3.36Å; M82-V85 PolarHBondContact O-N 2.85Å; M82-V85 HydrophobicContact SD-CB 3.95Å; M82-V85 HydrophobicContact SD-CG1 3.96Å; M82-V85 HydrophobicContact SD-CG2 4.43Å; M82-L86 HydrophobicContact CG-CD1 4.39Å; M82-L86 HydrophobicContact CG-CG 4.46Å; M82-L86 VanDerWaalsContact O-CG 3.28Å; M82-L86 WeakPolarHBondContact O-CG 3.43Å; M82-L86 PolarHBondContact O-N 2.78Å; M82-L86 HydrophobicContact SD-CG 4.46Å; M82-V138 HydrophobicContact SD-CG1 4.35Å; M82-A139 HydrophobicContact CG-CB 3.89Å; M82-A139 HydrophobicContact SD-CB 3.79Å; M82-I145 HydrophobicContact CE-CG1 4.37Å |
| 83 | D | 96 | Very high | 95.5 | Very high | 108 Ų | 108 | 64.6 Ų | 64.6 | 58% | 0.578 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.1 | -46.4 | 170.2 | 53.9 | -15.7 | 0 | 0 | 0 | 111.8 | A81 V85 L86 E87 | A81-D83 VanDerWaalsContact C-N 3.25Å; A81-D83 WeakPolarHBondContact CB-OD1 3.39Å; A81-D83 PolarHBondContact O-N 3.08Å; D83-V85 VanDerWaalsContact C-N 3.31Å; D83-V85 PolarHBondContact O-N 3Å; D83-L86 PolarHBondContact O-N 2.92Å; D83-E87 WeakPolarHBondContact O-CB 3.45Å; D83-E87 PolarHBondContact O-N 3.41Å |
| 84 | I | 96 | Very high | 94.8 | Very high | 48 Ų | 48 | 63.7 Ų | 63.7 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.8 | -41.6 | 174.1 | -60.1 | 174.7 | 0 | 0 | 0 | 110.6 | L80 A81 L86 E87 T88 Q171 | L80-I84 HydrophobicContact CD2-CG2 4.2Å; A81-I84 HydrophobicContact CB-CD1 4.21Å; A81-I84 HydrophobicContact CB-CG1 4.36Å; A81-I84 WeakPolarHBondContact O-CB 3.18Å; A81-I84 PolarHBondContact O-N 2.99Å; A81-I84 VanDerWaalsContact O-N 3.1Å; I84-L86 PolarHBondContact O-N 2.9Å; I84-E87 PolarHBondContact O-N 3.11Å; I84-T88 WeakPolarHBondContact O-CB 3.41Å; I84-T88 PolarHBondContact O-N 3.27Å; I84-T88 PolarHBondContact O-OG1 2.81Å; I84-Q171 HydrophobicContact CG2-CB 4.44Å |
| 85 | V | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.7 | -47.6 | 176.5 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L80 A81 M82 D83 L89 V138 I145 F148 | L80-V85 HydrophobicContact CB-CG2 3.65Å; L80-V85 HydrophobicContact CD1-CG2 4.14Å; A81-V85 PolarHBondContact O-N 3.18Å; A81-V85 VanDerWaalsContact O-N 3.09Å; M82-V85 WeakPolarHBondContact O-CB 3.36Å; M82-V85 PolarHBondContact O-N 2.85Å; M82-V85 HydrophobicContact SD-CB 3.95Å; M82-V85 HydrophobicContact SD-CG1 3.96Å; M82-V85 HydrophobicContact SD-CG2 4.43Å; D83-V85 VanDerWaalsContact C-N 3.31Å; D83-V85 PolarHBondContact O-N 3Å; V85-L89 HydrophobicContact CG1-CD1 4.43Å; V85-L89 WeakPolarHBondContact O-CG 3.43Å; V85-L89 PolarHBondContact O-N 2.84Å; V85-V138 HydrophobicContact CG1-CG1 3.92Å; V85-I145 HydrophobicContact CG1-CG2 4.16Å; V85-I145 HydrophobicContact CG2-CB 3.95Å; V85-I145 HydrophobicContact CG2-CG2 3.83Å; V85-F148 HydrophobicContact CB-CZ 4.32Å; V85-F148 HydrophobicContact CG1-CE1 4.35Å; V85-F148 HydrophobicContact CG1-CZ 3.89Å |
| 86 | L | 96.3 | Very high | 93.6 | Very high | 60 Ų | 60 | 63.9 Ų | 63.9 | 31% | 0.314 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.5 | -32.1 | -178.3 | -68.1 | 176.9 | 0 | 0 | 0 | 113 | M82 D83 I84 L89 K90 A139 | M82-L86 HydrophobicContact CG-CD1 4.39Å; M82-L86 HydrophobicContact CG-CG 4.46Å; M82-L86 VanDerWaalsContact O-CG 3.28Å; M82-L86 WeakPolarHBondContact O-CG 3.43Å; M82-L86 PolarHBondContact O-N 2.78Å; M82-L86 HydrophobicContact SD-CG 4.46Å; D83-L86 PolarHBondContact O-N 2.92Å; I84-L86 PolarHBondContact O-N 2.9Å; L86-L89 HydrophobicContact CD2-CD1 4.44Å; L86-K90 WeakPolarHBondContact O-CG 3.49Å; L86-K90 PolarHBondContact O-N 3.29Å; L86-A139 HydrophobicContact CD1-CB 4.37Å; L86-A139 HydrophobicContact CD2-CB 4.39Å |
| 87 | E | 94.3 | Very high | 93.2 | Very high | 85 Ų | 85 | 61.9 Ų | 61.9 | 40% | 0.397 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.2 | -51 | 172.9 | -172.4 | 170.1 | 160 | 0 | 0 | 110.6 | D83 I84 L89 K90 E91 Q171 | D83-E87 WeakPolarHBondContact O-CB 3.45Å; D83-E87 PolarHBondContact O-N 3.41Å; I84-E87 PolarHBondContact O-N 3.11Å; E87-L89 VanDerWaalsContact C-N 3.29Å; E87-L89 PolarHBondContact O-N 2.94Å; E87-K90 WeakPolarHBondContact O-CB 3.49Å; E87-K90 PolarHBondContact O-N 3Å; E87-E91 PolarHBondContact O-N 2.9Å; E87-Q171 PolarHBondContact OE1-NE2 2.68Å |
| 88 | T | 96 | Very high | 92.9 | Very high | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.006 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.2 | -43.2 | 176.2 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | I84 K90 E91 I92 F148 L168 M172 L184 | I84-T88 WeakPolarHBondContact O-CB 3.41Å; I84-T88 PolarHBondContact O-N 3.27Å; I84-T88 PolarHBondContact O-OG1 2.81Å; T88-K90 VanDerWaalsContact C-N 3.29Å; T88-K90 PolarHBondContact O-N 2.79Å; T88-E91 PolarHBondContact O-N 2.62Å; T88-I92 HydrophobicContact CG2-CD1 3.5Å; T88-I92 VanDerWaalsContact CG2-CD1 3.5Å; T88-I92 HydrophobicContact CG2-CG1 4.19Å; T88-I92 WeakPolarHBondContact O-CD1 3.33Å; T88-I92 VanDerWaalsContact O-CG1 3.23Å; T88-I92 WeakPolarHBondContact O-CG1 3.35Å; T88-I92 PolarHBondContact O-N 2.85Å; T88-F148 HydrophobicContact CG2-CD2 3.66Å; T88-F148 HydrophobicContact CG2-CE1 4.43Å; T88-F148 HydrophobicContact CG2-CE2 3.37Å; T88-F148 HydrophobicContact CG2-CG 4.32Å; T88-F148 HydrophobicContact CG2-CZ 3.78Å; T88-L168 HydrophobicContact CG2-CD2 4.03Å; T88-M172 HydrophobicContact CG2-CG 4.2Å; T88-L184 HydrophobicContact CG2-CD1 4.1Å |
| 89 | L | 95.6 | Very high | 92.7 | Very high | 7 Ų | 7 | 65.9 Ų | 65.9 | 4% | 0.037 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.2 | -34.4 | 175.2 | -80.1 | 174.7 | 0 | 0 | 0 | 113.5 | V85 L86 E87 N93 L100 V102 L135 V138 F148 | V85-L89 HydrophobicContact CG1-CD1 4.43Å; V85-L89 WeakPolarHBondContact O-CG 3.43Å; V85-L89 PolarHBondContact O-N 2.84Å; L86-L89 HydrophobicContact CD2-CD1 4.44Å; E87-L89 VanDerWaalsContact C-N 3.29Å; E87-L89 PolarHBondContact O-N 2.94Å; L89-N93 WeakPolarHBondContact O-CB 3.22Å; L89-N93 VanDerWaalsContact O-CG 3.22Å; L89-N93 PolarHBondContact O-N 3.29Å; L89-N93 PolarHBondContact O-ND2 2.95Å; L89-L100 HydrophobicContact CD2-CD2 3.86Å; L89-V102 HydrophobicContact CD2-CG2 3.87Å; L89-L135 HydrophobicContact CD1-CB 4.36Å; L89-L135 HydrophobicContact CD2-CB 4.16Å; L89-L135 HydrophobicContact CD2-CD1 4.39Å; L89-V138 HydrophobicContact CD1-CG1 4.36Å; L89-F148 HydrophobicContact CD2-CD1 4.19Å; L89-F148 HydrophobicContact CD2-CE1 3.74Å; L89-F148 HydrophobicContact CG-CE1 3.79Å; L89-F148 HydrophobicContact CG-CZ 4.43Å |
| 90 | K | 92.5 | Very high | 92.7 | Very high | 147 Ų | 147 | 58.1 Ų | 58.1 | 64% | 0.639 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -68.8 | -45.6 | 177.7 | -69.1 | 167.8 | -170.7 | 169.4 | 0 | 110.6 | L86 E87 T88 N93 | L86-K90 WeakPolarHBondContact O-CG 3.49Å; L86-K90 PolarHBondContact O-N 3.29Å; E87-K90 WeakPolarHBondContact O-CB 3.49Å; E87-K90 PolarHBondContact O-N 3Å; T88-K90 VanDerWaalsContact C-N 3.29Å; T88-K90 PolarHBondContact O-N 2.79Å; K90-N93 PolarHBondContact O-N 3.28Å |
| 91 | E | 91.7 | Very high | 92.7 | Very high | 75 Ų | 75 | 57.2 Ų | 57.2 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.7 | -45.6 | -179.3 | -64 | -47.9 | 145.5 | 0 | 0 | 112.1 | E87 T88 N93 A94 V167 L168 | E87-E91 PolarHBondContact O-N 2.9Å; T88-E91 PolarHBondContact O-N 2.62Å; E91-N93 VanDerWaalsContact C-N 3.32Å; E91-N93 PolarHBondContact O-N 3.02Å; E91-A94 WeakPolarHBondContact O-CB 3.42Å; E91-A94 PolarHBondContact O-N 3.28Å; E91-A94 VanDerWaalsContact O-N 3.17Å; E91-V167 HydrophobicContact CB-CG1 3.58Å; E91-V167 HydrophobicContact CG-CG1 3.72Å; E91-V167 WeakPolarHBondContact OE2-CG1 3.49Å; E91-L168 HydrophobicContact CB-CD2 4.06Å |
| 92 | I | 92 | Very high | 92.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.6 | -40.8 | 178.3 | -64.6 | 159.9 | 0 | 0 | 0 | 111.7 | T88 A94 L95 P97 L100 F148 L150 L184 | T88-I92 HydrophobicContact CG2-CD1 3.5Å; T88-I92 VanDerWaalsContact CG2-CD1 3.5Å; T88-I92 HydrophobicContact CG2-CG1 4.19Å; T88-I92 WeakPolarHBondContact O-CD1 3.33Å; T88-I92 VanDerWaalsContact O-CG1 3.23Å; T88-I92 WeakPolarHBondContact O-CG1 3.35Å; T88-I92 PolarHBondContact O-N 2.85Å; I92-A94 PolarHBondContact O-N 2.85Å; I92-A94 VanDerWaalsContact O-N 3.16Å; I92-L95 WeakPolarHBondContact O-CB 3.5Å; I92-L95 PolarHBondContact O-N 3.44Å; I92-P97 HydrophobicContact CG2-CG 3.77Å; I92-P97 WeakPolarHBondContact O-CD 3.38Å; I92-L100 HydrophobicContact CD1-CD1 4.19Å; I92-L100 HydrophobicContact CG2-CD1 4.2Å; I92-L100 HydrophobicContact CG2-CD2 3.94Å; I92-F148 HydrophobicContact CD1-CB 4.24Å; I92-F148 HydrophobicContact CD1-CD1 4.11Å; I92-F148 HydrophobicContact CD1-CG 4.04Å; I92-L150 HydrophobicContact CD1-CD2 4.25Å; I92-L150 HydrophobicContact CG1-CD1 4.45Å; I92-L150 HydrophobicContact CG2-CD1 4.2Å; I92-L150 HydrophobicContact CG2-CD2 3.61Å; I92-L184 HydrophobicContact CD1-CD1 3.47Å; I92-L184 VanDerWaalsContact CD1-CD1 3.47Å; I92-L184 HydrophobicContact CG1-CD1 3.73Å |
| 93 | N | 85.9 | Confident | 92.8 | Very high | 96 Ų | 96 | 52 Ų | 52 | 51% | 0.513 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.9 | -26.5 | -178.4 | -81.5 | -39.8 | 0 | 0 | 0 | 112.3 | L89 K90 E91 L95 Q96 | L89-N93 WeakPolarHBondContact O-CB 3.22Å; L89-N93 VanDerWaalsContact O-CG 3.22Å; L89-N93 PolarHBondContact O-N 3.29Å; L89-N93 PolarHBondContact O-ND2 2.95Å; K90-N93 PolarHBondContact O-N 3.28Å; E91-N93 VanDerWaalsContact C-N 3.32Å; E91-N93 PolarHBondContact O-N 3.02Å; N93-L95 VanDerWaalsContact C-N 3.27Å; N93-L95 PolarHBondContact O-N 3.03Å; N93-Q96 PolarHBondContact O-N 3.1Å |
| 94 | A | 82.3 | Confident | 92.8 | Very high | 77 Ų | 77 | 46.9 Ų | 46.9 | 64% | 0.636 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -69 | -25.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E91 I92 | E91-A94 WeakPolarHBondContact O-CB 3.42Å; E91-A94 PolarHBondContact O-N 3.28Å; E91-A94 VanDerWaalsContact O-N 3.17Å; I92-A94 PolarHBondContact O-N 2.85Å; I92-A94 VanDerWaalsContact O-N 3.16Å |
| 95 | L | 84 | Confident | 92.8 | Very high | 59 Ų | 59 | 48.7 Ų | 48.7 | 31% | 0.309 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -87.8 | -7.3 | -179.8 | -61.1 | 175.5 | 0 | 0 | 0 | 114 | I92 N93 F152 A163 L164 | I92-L95 WeakPolarHBondContact O-CB 3.5Å; I92-L95 PolarHBondContact O-N 3.44Å; N93-L95 VanDerWaalsContact C-N 3.27Å; N93-L95 PolarHBondContact O-N 3.03Å; L95-F152 HydrophobicContact CB-CE1 4.38Å; L95-A163 HydrophobicContact CD2-CB 4.5Å; L95-L164 HydrophobicContact CD1-CD2 3.28Å; L95-L164 HydrophobicContact CD1-CG 3.71Å |
| 96 | Q | 84.6 | Confident | 92.7 | Very high | 166 Ų | 166 | 54.6 Ų | 54.6 | 78% | 0.776 | 28% | 0.276 | S | S | * | . | trans | 52.5 | 57.6 | 174.4 | -56.3 | -175.8 | -20.4 | 0 | 0 | 114.4 | N93 | N93-Q96 PolarHBondContact O-N 3.1Š| ||
| 97 | P | 90.3 | Very high | 92.7 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 16% | 0.162 | 26% | 0.261 | C | S | . | . | trans | -62.6 | 150.1 | 173.6 | 30.9 | -37.2 | 0 | 0 | 0 | 111.1 | I92 V99 L100 L150 F152 | I92-P97 HydrophobicContact CG2-CG 3.77Å; I92-P97 WeakPolarHBondContact O-CD 3.38Å; P97-V99 VanDerWaalsContact C-N 3.31Å; P97-V99 WeakPolarHBondContact CB-O 3.37Å; P97-L100 HydrophobicContact CG-CB 3.99Å; P97-L150 HydrophobicContact CB-CB 4.47Å; P97-L150 HydrophobicContact CG-CD2 4.42Å; P97-F152 HydrophobicContact CB-CD1 4.22Å; P97-F152 HydrophobicContact CB-CE1 3.81Å; P97-F152 HydrophobicContact CB-CZ 3.99Å | ||
| 98 | I | 90.9 | Very high | 92.8 | Very high | 108 Ų | 108 | 47.8 Ų | 47.8 | 55% | 0.554 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -67.3 | -40 | 175.3 | -60.9 | 174.6 | 0 | 0 | 0 | 109.5 | T151 | I98-T151 WeakPolarHBondContact CB-O 3.3Å; I98-T151 PolarHBondContact N-O 3.05Å |
| 99 | V | 93.9 | Very high | 92.9 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.1 | 175.1 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | P97 V101 I114 V118 V122 L150 T151 | P97-V99 VanDerWaalsContact C-N 3.31Å; P97-V99 WeakPolarHBondContact CB-O 3.37Å; V99-V101 HydrophobicContact CG1-CG2 3.81Å; V99-I114 HydrophobicContact CG1-CD1 4.4Å; V99-V118 HydrophobicContact CG2-CG1 3.37Å; V99-V122 HydrophobicContact CG1-CG2 3.57Å; V99-V122 HydrophobicContact CG2-CG2 4.31Å; V99-L150 WeakPolarHBondContact O-CA 3.49Å; V99-T151 PolarHBondContact N-O 3.23Å; V99-T151 PolarHBondContact O-N 3.43Å |
| 100 | L | 95.8 | Very high | 93 | Very high | 17 Ų | 17 | 47.5 Ų | 47.5 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 119.6 | 168 | 164.6 | 58.1 | 0 | 0 | 0 | 108.5 | L89 I92 P97 L135 F148 L150 | L89-L100 HydrophobicContact CD2-CD2 3.86Å; I92-L100 HydrophobicContact CD1-CD1 4.19Å; I92-L100 HydrophobicContact CG2-CD1 4.2Å; I92-L100 HydrophobicContact CG2-CD2 3.94Å; P97-L100 HydrophobicContact CG-CB 3.99Å; L100-L135 HydrophobicContact CB-CD1 4.24Å; L100-L135 HydrophobicContact CD2-CD1 3.43Å; L100-L135 VanDerWaalsContact CD2-CD1 3.43Å; L100-L135 HydrophobicContact CG-CD1 3.55Å; L100-F148 HydrophobicContact CD1-CB 4.26Å; L100-F148 HydrophobicContact CD1-CD1 4.08Å; L100-L150 HydrophobicContact CB-CD2 4.31Å; L100-L150 HydrophobicContact CD1-CD2 3.37Å; L100-L150 HydrophobicContact CG-CD2 4.36Å |
| 101 | V | 97 | Very high | 93.2 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 130.8 | 174.3 | -168.6 | 0 | 0 | 0 | 0 | 109 | V99 A108 Y109 V110 V122 Y126 F148 A149 | V99-V101 HydrophobicContact CG1-CG2 3.81Å; V101-A108 HydrophobicContact CG1-CB 3.75Å; V101-Y109 WeakPolarHBondContact CA-O 3.16Å; V101-V110 HydrophobicContact CB-CG1 4.31Å; V101-V110 HydrophobicContact CG1-CG1 4.22Å; V101-V110 HydrophobicContact CG2-CG1 3.88Å; V101-V122 HydrophobicContact CG2-CG1 3.62Å; V101-Y126 HydrophobicContact CB-CE2 4.39Å; V101-Y126 HydrophobicContact CG1-CD1 4.35Å; V101-Y126 HydrophobicContact CG1-CD2 4.18Å; V101-Y126 HydrophobicContact CG1-CE1 4.34Å; V101-Y126 HydrophobicContact CG1-CE2 4.18Å; V101-Y126 HydrophobicContact CG1-CG 4.28Å; V101-Y126 HydrophobicContact CG2-CD2 4.35Å; V101-Y126 HydrophobicContact CG2-CE2 4.06Å; V101-F148 CarbonylContact O-C 3.37Å; V101-F148 VanDerWaalsContact O-CA 3.26Å; V101-F148 WeakPolarHBondContact O-CA 3.11Å; V101-A149 HydrophobicContact CB-CB 4.23Å; V101-A149 PolarHBondContact N-O 3.03Å; V101-A149 PolarHBondContact O-N 3.1Å |
| 102 | V | 98 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 117.9 | 169 | -173.8 | 0 | 0 | 0 | 0 | 107.9 | L89 A108 Y109 L135 V138 I145 F148 | L89-V102 HydrophobicContact CD2-CG2 3.87Å; V102-A108 CarbonylContact O-C 3.54Å; V102-A108 WeakPolarHBondContact O-CA 3.47Å; V102-Y109 PolarHBondContact N-O 2.98Å; V102-Y109 PolarHBondContact O-N 2.9Å; V102-L135 HydrophobicContact CG2-CD2 3.92Å; V102-V138 HydrophobicContact CG1-CG2 4.13Å; V102-I145 HydrophobicContact CG1-CD1 4.16Å; V102-I145 HydrophobicContact CG1-CG1 4.31Å; V102-I145 HydrophobicContact CG1-CG2 3.49Å; V102-I145 VanDerWaalsContact CG1-CG2 3.49Å; V102-F148 HydrophobicContact CB-CD1 4.28Å; V102-F148 HydrophobicContact CB-CE1 4.29Å; V102-F148 HydrophobicContact CG1-CD1 4.2Å; V102-F148 HydrophobicContact CG1-CE1 3.85Å; V102-F148 HydrophobicContact CG2-CD1 3.83Å; V102-F148 HydrophobicContact CG2-CE1 3.79Å |
| 103 | C | 97.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 121.5 | -174.8 | -54.6 | 0 | 0 | 0 | 0 | 110.6 | Y126 F146 K147 | C103-Y126 WeakPolarHBondContact SG-CE1 3.37Å; C103-F146 HydrophobicContact CB-CD2 4.31Å; C103-F146 HydrophobicContact CB-CE2 3.61Å; C103-F146 HydrophobicContact CB-CZ 4.23Å; C103-F146 PolarHBondContact O-N 2.75Å; C103-K147 HydrophobicContact CB-CB 4.14Å; C103-K147 PolarHBondContact N-O 2.91Å; C103-K147 PolarHBondContact O-N 3.33Å |
| 104 | G | 97.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 169.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S107 E144 | G104-S107 CarbonylContact C-O 3.6Å; G104-S107 VanDerWaalsContact CA-O 3.27Å; G104-S107 WeakPolarHBondContact CA-O 3.21Å; G104-S107 PolarHBondContact N-O 3Å; G104-S107 VanDerWaalsContact O-O 3.06Å; G104-E144 WeakPolarHBondContact CA-O 3.46Å |
| 105 | K | 95.8 | Very high | 94.4 | Very high | 85 Ų | 85 | 44.4 Ų | 44.4 | 37% | 0.37 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -65.5 | -38.2 | -178.7 | -179 | -175.7 | -176.6 | 170.4 | 0 | 112.9 | N77 D143 E144 F146 | N77-K105 HydrophobicContact CB-CD 4.32Å; N77-K105 WeakPolarHBondContact OD1-CG 3.38Å; K105-D143 PolarHBondContact N-OD1 2.87Å; K105-D143 VanDerWaalsContact N-OD1 3.08Å; K105-E144 HydrophobicContact CB-CB 4.18Å; K105-E144 WeakPolarHBondContact CD-OE2 3.47Å; K105-E144 PolarHBondContact N-O 3.06Å; K105-E144 VanDerWaalsContact N-O 3.09Å; K105-E144 IonicContact NZ-OE2 3.96Å; K105-E144 PolarHBondContact NZ-OE2 2.91Å; K105-F146 HydrophobicContact CB-CE1 4.25Å; K105-F146 VanDerWaalsContact N-CE1 3.34Å |
| 106 | K | 94.9 | Very high | 94.8 | Very high | 125 Ų | 125 | 46.9 Ų | 46.9 | 54% | 0.543 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -86.8 | -30.9 | -179.5 | -62.2 | -179.4 | 179.4 | 177.6 | 0 | 111.8 | E142 D143 | K106-E142 VanDerWaalsContact CD-O 3.25Å; K106-E142 WeakPolarHBondContact CD-O 3.25Å; K106-E142 WeakPolarHBondContact CE-O 3.49Å; K106-E142 PolarHBondContact NZ-O 3.22Å; K106-D143 WeakPolarHBondContact CB-OD2 3.46Å; K106-D143 WeakPolarHBondContact CG-OD1 3.23Å; K106-D143 VanDerWaalsContact N-CG 3.33Å; K106-D143 PolarHBondContact N-OD1 3.03Å; K106-D143 PolarHBondContact N-OD2 2.77Å |
| 107 | S | 96.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | trans | -159.9 | 159.9 | -172.3 | -158.9 | 0 | 0 | 0 | 0 | 111.4 | G104 Y109 S128 K130 D143 | G104-S107 CarbonylContact C-O 3.6Å; G104-S107 VanDerWaalsContact CA-O 3.27Å; G104-S107 WeakPolarHBondContact CA-O 3.21Å; G104-S107 PolarHBondContact N-O 3Å; G104-S107 VanDerWaalsContact O-O 3.06Å; S107-Y109 WeakPolarHBondContact O-CE2 3.4Å; S107-S128 WeakPolarHBondContact CA-O 3.46Å; S107-S128 WeakPolarHBondContact CB-O 3.42Å; S107-S128 PolarHBondContact OG-O 2.94Å; S107-K130 WeakPolarHBondContact OG-CD 3.39Å; S107-K130 WeakPolarHBondContact OG-CG 3.39Å; S107-D143 PolarHBondContact N-OD2 3.08Å; S107-D143 VanDerWaalsContact N-OD2 3.09Å | ||
| 108 | A | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 151.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 109 | V101 V102 Y126 S128 I129 K130 | V101-A108 HydrophobicContact CG1-CB 3.75Å; V102-A108 CarbonylContact O-C 3.54Å; V102-A108 WeakPolarHBondContact O-CA 3.47Å; A108-Y126 HydrophobicContact CB-CD1 3.57Å; A108-Y126 HydrophobicContact CB-CE1 4.47Å; A108-Y126 HydrophobicContact CB-CG 3.79Å; A108-S128 PolarHBondContact N-O 2.82Å; A108-I129 HydrophobicContact CB-CB 4.29Å; A108-I129 HydrophobicContact CB-CG1 4.16Å; A108-I129 CarbonylContact O-C 3.48Å; A108-I129 VanDerWaalsContact O-CA 3.28Å; A108-I129 WeakPolarHBondContact O-CA 3.42Å; A108-K130 PolarHBondContact O-N 3.33Å |
| 109 | Y | 98.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 40.1 Ų | 40.1 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 134.4 | -175.5 | -54.5 | -87.8 | 0 | 0 | 0 | 111.3 | V101 V102 S107 K130 L132 V138 Q141 D143 I145 | V101-Y109 WeakPolarHBondContact CA-O 3.16Å; V102-Y109 PolarHBondContact N-O 2.98Å; V102-Y109 PolarHBondContact O-N 2.9Å; S107-Y109 WeakPolarHBondContact O-CE2 3.4Å; Y109-K130 WeakPolarHBondContact CA-O 3.4Å; Y109-K130 HydrophobicContact CD1-CB 4.05Å; Y109-K130 HydrophobicContact CE1-CB 4.3Å; Y109-K130 HydrophobicContact CE1-CD 4.19Å; Y109-L132 HydrophobicContact CD1-CD1 3.68Å; Y109-L132 HydrophobicContact CD1-CD2 4.02Å; Y109-L132 HydrophobicContact CD1-CG 3.83Å; Y109-L132 HydrophobicContact CE1-CD1 4.48Å; Y109-L132 HydrophobicContact CE1-CD2 4.46Å; Y109-L132 HydrophobicContact CG-CD1 4Å; Y109-L132 HydrophobicContact CG-CG 4.45Å; Y109-V138 HydrophobicContact CD2-CG2 3.79Å; Y109-V138 HydrophobicContact CE2-CG2 3.98Å; Y109-V138 HydrophobicContact CG-CG2 4.24Å; Y109-Q141 HydrophobicContact CD1-CG 4.43Å; Y109-Q141 HydrophobicContact CE1-CB 4.34Å; Y109-Q141 HydrophobicContact CE1-CG 3.68Å; Y109-D143 HydrophobicContact CE2-CB 4.35Å; Y109-D143 WeakPolarHBondContact CE2-OD2 3.34Å; Y109-D143 WeakPolarHBondContact OH-CB 3.47Å; Y109-D143 PolarHBondContact OH-OD2 3Å; Y109-D143 VanDerWaalsContact OH-OD2 3.13Å; Y109-I145 HydrophobicContact CD2-CD1 4.26Å; Y109-I145 HydrophobicContact CE2-CD1 3.94Å |
| 110 | V | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 159.5 | 174.6 | -69.7 | 0 | 0 | 0 | 0 | 110.2 | V101 I114 F119 V122 I129 K130 K131 L132 L135 | V101-V110 HydrophobicContact CB-CG1 4.31Å; V101-V110 HydrophobicContact CG1-CG1 4.22Å; V101-V110 HydrophobicContact CG2-CG1 3.88Å; V110-I114 HydrophobicContact CB-CD1 4.21Å; V110-I114 HydrophobicContact CB-CG2 4.49Å; V110-I114 HydrophobicContact CG1-CD1 4.17Å; V110-I114 HydrophobicContact CG2-CD1 4.46Å; V110-I114 HydrophobicContact CG2-CG2 4.03Å; V110-F119 HydrophobicContact CG2-CD2 3.99Å; V110-F119 HydrophobicContact CG2-CE2 3.87Å; V110-V122 HydrophobicContact CG1-CG1 4.28Å; V110-I129 HydrophobicContact CB-CD1 4.26Å; V110-I129 HydrophobicContact CG1-CD1 3.47Å; V110-I129 VanDerWaalsContact CG1-CD1 3.47Å; V110-I129 HydrophobicContact CG1-CG1 4.29Å; V110-I129 HydrophobicContact CG2-CD1 3.8Å; V110-I129 HydrophobicContact CG2-CG1 4.01Å; V110-K130 PolarHBondContact N-O 3.02Å; V110-K131 HydrophobicContact CG2-CG 4Å; V110-K131 CarbonylContact O-C 3.58Å; V110-K131 WeakPolarHBondContact O-CA 3.24Å; V110-L132 PolarHBondContact O-N 3.16Å; V110-L135 VanDerWaalsContact C-CD2 3.44Å |
| 111 | S | 95.5 | Very high | 95.4 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 25% | 0.245 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 142.3 | 169.4 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | D113 I114 | S111-D113 PolarHBondContact O-N 2.85Å; S111-D113 PolarHBondContact OG-N 3.48Å; S111-I114 WeakPolarHBondContact O-CB 3.42Å; S111-I114 WeakPolarHBondContact O-CG2 3.47Å; S111-I114 PolarHBondContact O-N 3.28Å |
| 112 | K | 95.6 | Very high | 95.2 | Very high | 85 Ų | 85 | 53.1 Ų | 53.1 | 37% | 0.37 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.4 | 172.3 | 63.4 | 162.1 | -175.2 | 179 | 0 | 113.3 | I114 K131 L132 E133 | K112-I114 PolarHBondContact O-N 3.29Å; K112-K131 HydrophobicContact CB-CB 4.36Å; K112-L132 WeakPolarHBondContact CB-O 3.35Å; K112-L132 PolarHBondContact N-O 3.01Å; K112-E133 WeakPolarHBondContact CD-OE1 3.42Å; K112-E133 WeakPolarHBondContact CD-OE2 3.29Å; K112-E133 WeakPolarHBondContact CE-OE2 3.23Å; K112-E133 IonicContact NZ-OE1 3.77Å; K112-E133 IonicContact NZ-OE2 2.64Å; K112-E133 PolarHBondContact NZ-OE2 3.39Å |
| 113 | D | 93.6 | Very high | 95 | Very high | 121 Ų | 121 | 58.4 Ų | 58.4 | 65% | 0.647 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 1.2 | -175.4 | -58.3 | -39.8 | 0 | 0 | 0 | 112.3 | S111 | S111-D113 PolarHBondContact O-N 2.85Å; S111-D113 PolarHBondContact OG-N 3.48Å |
| 114 | I | 94 | Very high | 94.7 | Very high | 19 Ų | 19 | 62.9 Ų | 62.9 | 10% | 0.097 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -57.2 | 129.4 | 173.4 | -168.5 | 171 | 0 | 0 | 0 | 110.4 | V99 V110 S111 K112 V118 F119 V122 K131 | V99-I114 HydrophobicContact CG1-CD1 4.4Å; V110-I114 HydrophobicContact CB-CD1 4.21Å; V110-I114 HydrophobicContact CB-CG2 4.49Å; V110-I114 HydrophobicContact CG1-CD1 4.17Å; V110-I114 HydrophobicContact CG2-CD1 4.46Å; V110-I114 HydrophobicContact CG2-CG2 4.03Å; S111-I114 WeakPolarHBondContact O-CB 3.42Å; S111-I114 WeakPolarHBondContact O-CG2 3.47Å; S111-I114 PolarHBondContact O-N 3.28Å; K112-I114 PolarHBondContact O-N 3.29Å; I114-V118 HydrophobicContact CD1-CG1 3.98Å; I114-V118 HydrophobicContact CG1-CB 4.21Å; I114-V118 HydrophobicContact CG1-CG1 3.98Å; I114-F119 HydrophobicContact CG2-CB 4.03Å; I114-F119 HydrophobicContact CG2-CD2 3.86Å; I114-F119 HydrophobicContact CG2-CG 4.27Å; I114-V122 HydrophobicContact CD1-CG2 4.17Å; I114-K131 HydrophobicContact CG2-CD 4.4Å |
| 115 | P | 93.7 | Very high | 94.4 | Very high | 69 Ų | 69 | 65.6 Ų | 65.6 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | trans | -56.5 | 144.3 | 175.6 | -26.6 | 35.6 | 0 | 0 | 0 | 112.2 | D117 V118 F119 | P115-D117 WeakPolarHBondContact CB-OD1 3.46Å; P115-D117 PolarHBondContact O-N 2.95Å; P115-V118 HydrophobicContact CB-CB 4.27Å; P115-V118 HydrophobicContact CB-CG2 4Å; P115-V118 HydrophobicContact CG-CG2 4.28Å; P115-V118 PolarHBondContact O-N 3.42Å; P115-F119 WeakPolarHBondContact O-CB 3.34Å; P115-F119 PolarHBondContact O-N 3.38Å | ||
| 116 | D | 93.6 | Very high | 94.3 | Very high | 112 Ų | 112 | 62.3 Ų | 62.3 | 60% | 0.599 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.6 | -30.8 | -171.9 | -76.8 | -26.5 | 0 | 0 | 0 | 114 | R120 K131 | D116-R120 WeakPolarHBondContact O-CG 3.47Å; D116-R120 PolarHBondContact O-N 3.24Å; D116-R120 VanDerWaalsContact O-N 3.11Å; D116-R120 PolarHBondContact O-NE 2.86Å; D116-K131 IonicContact OD1-NZ 2.85Å; D116-K131 PolarHBondContact OD1-NZ 2.61Å |
| 117 | D | 93.2 | Very high | 94.2 | Very high | 91 Ų | 91 | 58.9 Ų | 58.9 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66 | -46 | 171.9 | 60 | -31 | 0 | 0 | 0 | 111.6 | P115 R120 I121 | P115-D117 WeakPolarHBondContact CB-OD1 3.46Å; P115-D117 PolarHBondContact O-N 2.95Å; D117-R120 PolarHBondContact O-N 3.35Å; D117-I121 PolarHBondContact O-N 3.25Å |
| 118 | V | 93.1 | Very high | 94 | Very high | 29 Ų | 29 | 60.9 Ų | 60.9 | 18% | 0.176 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 173.7 | -179 | 0 | 0 | 0 | 0 | 110.6 | V99 I114 P115 R120 I121 V122 | V99-V118 HydrophobicContact CG2-CG1 3.37Å; I114-V118 HydrophobicContact CD1-CG1 3.98Å; I114-V118 HydrophobicContact CG1-CB 4.21Å; I114-V118 HydrophobicContact CG1-CG1 3.98Å; P115-V118 HydrophobicContact CB-CB 4.27Å; P115-V118 HydrophobicContact CB-CG2 4Å; P115-V118 HydrophobicContact CG-CG2 4.28Å; P115-V118 PolarHBondContact O-N 3.42Å; V118-R120 VanDerWaalsContact C-N 3.28Å; V118-R120 PolarHBondContact O-N 3.43Å; V118-I121 WeakPolarHBondContact O-CB 3.39Å; V118-I121 PolarHBondContact O-N 3.03Å; V118-I121 VanDerWaalsContact O-N 3.08Å; V118-V122 HydrophobicContact CG1-CG2 4.29Å; V118-V122 WeakPolarHBondContact O-CG2 3.4Å; V118-V122 PolarHBondContact O-N 3.47Å |
| 119 | F | 95.3 | Very high | 93.9 | Very high | 36 Ų | 36 | 61.8 Ų | 61.8 | 16% | 0.158 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -58.3 | -38.1 | 178.6 | -176.6 | -110.5 | 0 | 0 | 0 | 112.9 | V110 I114 P115 I121 V122 K123 I129 K131 | V110-F119 HydrophobicContact CG2-CD2 3.99Å; V110-F119 HydrophobicContact CG2-CE2 3.87Å; I114-F119 HydrophobicContact CG2-CB 4.03Å; I114-F119 HydrophobicContact CG2-CD2 3.86Å; I114-F119 HydrophobicContact CG2-CG 4.27Å; P115-F119 WeakPolarHBondContact O-CB 3.34Å; P115-F119 PolarHBondContact O-N 3.38Å; F119-I121 VanDerWaalsContact C-N 3.32Å; F119-I121 PolarHBondContact O-N 3.48Å; F119-V122 PolarHBondContact O-N 2.77Å; F119-K123 HydrophobicContact CE1-CD 4.23Å; F119-K123 VanDerWaalsContact O-CB 3.23Å; F119-K123 WeakPolarHBondContact O-CB 3.43Å; F119-K123 PolarHBondContact O-N 3.41Å; F119-I129 HydrophobicContact CE2-CD1 4.18Å; F119-I129 HydrophobicContact CE2-CG1 4.25Å; F119-I129 HydrophobicContact CE2-CG2 3.78Å; F119-I129 HydrophobicContact CZ-CG2 3.79Å; F119-K131 VanDerWaalsContact CD2-CE 3.49Å; F119-K131 HydrophobicContact CD2-CG 4.38Å; F119-K131 HydrophobicContact CE2-CD 4.36Å; F119-K131 HydrophobicContact CE2-CG 3.89Å; F119-K131 HydrophobicContact CZ-CG 4.28Å |
| 120 | R | 94.1 | Very high | 93.8 | Very high | 180 Ų | 180 | 66.6 Ų | 66.6 | 68% | 0.679 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.6 | -39.7 | 176.6 | -78.2 | -178.3 | -66.1 | 174.9 | 2.5 | 112.1 | D116 D117 V118 F124 | D116-R120 WeakPolarHBondContact O-CG 3.47Å; D116-R120 PolarHBondContact O-N 3.24Å; D116-R120 VanDerWaalsContact O-N 3.11Å; D116-R120 PolarHBondContact O-NE 2.86Å; D117-R120 PolarHBondContact O-N 3.35Å; V118-R120 VanDerWaalsContact C-N 3.28Å; V118-R120 PolarHBondContact O-N 3.43Å; R120-F124 PolarHBondContact O-N 3.35Å |
| 121 | I | 91.2 | Very high | 93.8 | Very high | 112 Ų | 112 | 70.3 Ų | 70.3 | 57% | 0.574 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -67.4 | -49.1 | 176.6 | -62.5 | 165.8 | 0 | 0 | 0 | 109.7 | D117 V118 F119 K123 F124 Y125 | D117-I121 PolarHBondContact O-N 3.25Å; V118-I121 WeakPolarHBondContact O-CB 3.39Å; V118-I121 PolarHBondContact O-N 3.03Å; V118-I121 VanDerWaalsContact O-N 3.08Å; F119-I121 VanDerWaalsContact C-N 3.32Å; F119-I121 PolarHBondContact O-N 3.48Å; I121-K123 VanDerWaalsContact C-N 3.29Å; I121-K123 PolarHBondContact O-N 3.34Å; I121-F124 VanDerWaalsContact O-CB 3.31Å; I121-F124 WeakPolarHBondContact O-CB 3.49Å; I121-F124 PolarHBondContact O-N 2.82Å; I121-F124 VanDerWaalsContact O-N 3.09Å; I121-Y125 HydrophobicContact CG2-CE2 4.35Å; I121-Y125 WeakPolarHBondContact O-CD2 3.32Å |
| 122 | V | 93.8 | Very high | 93.9 | Very high | 11 Ų | 11 | 69.3 Ų | 69.3 | 7% | 0.067 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.7 | -40 | 179.4 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | V99 V101 V110 I114 V118 F119 F124 Y125 Y126 I129 | V99-V122 HydrophobicContact CG1-CG2 3.57Å; V99-V122 HydrophobicContact CG2-CG2 4.31Å; V101-V122 HydrophobicContact CG2-CG1 3.62Å; V110-V122 HydrophobicContact CG1-CG1 4.28Å; I114-V122 HydrophobicContact CD1-CG2 4.17Å; V118-V122 HydrophobicContact CG1-CG2 4.29Å; V118-V122 WeakPolarHBondContact O-CG2 3.4Å; V118-V122 PolarHBondContact O-N 3.47Å; F119-V122 PolarHBondContact O-N 2.77Å; V122-F124 PolarHBondContact O-N 3.19Å; V122-Y125 PolarHBondContact O-N 3.27Å; V122-Y125 VanDerWaalsContact O-N 3.09Å; V122-Y126 HydrophobicContact CG1-CD2 3.66Å; V122-Y126 HydrophobicContact CG1-CE2 4.29Å; V122-Y126 WeakPolarHBondContact O-CD2 3.46Å; V122-Y126 PolarHBondContact O-N 3.01Å; V122-I129 HydrophobicContact CB-CD1 4.36Å; V122-I129 HydrophobicContact CG1-CD1 3.42Å; V122-I129 VanDerWaalsContact CG1-CD1 3.42Å |
| 123 | K | 94.8 | Very high | 94 | Very high | 111 Ų | 111 | 71 Ų | 71 | 48% | 0.483 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.5 | -24.7 | 178.4 | -174.4 | 174 | -178.1 | -176.9 | 0 | 113.5 | F119 I121 Y126 P127 I129 | F119-K123 HydrophobicContact CE1-CD 4.23Å; F119-K123 VanDerWaalsContact O-CB 3.23Å; F119-K123 WeakPolarHBondContact O-CB 3.43Å; F119-K123 PolarHBondContact O-N 3.41Å; I121-K123 VanDerWaalsContact C-N 3.29Å; I121-K123 PolarHBondContact O-N 3.34Å; K123-Y126 CarbonylContact O-C 3.5Å; K123-Y126 VanDerWaalsContact O-C 3.28Å; K123-P127 WeakPolarHBondContact O-CA 3.38Å; K123-I129 HydrophobicContact CB-CG2 4.09Å; K123-I129 HydrophobicContact CG-CG2 3.97Å |
| 124 | F | 90.8 | Very high | 94 | Very high | 93 Ų | 93 | 74.3 Ų | 74.3 | 41% | 0.408 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 172.7 | 174.4 | -98.9 | 0 | 0 | 0 | 111.2 | K15 Q46 F50 R120 I121 V122 | K15-F124 HydrophobicContact CB-CZ 4.16Å; K15-F124 HydrophobicContact CG-CE1 4.28Å; K15-F124 HydrophobicContact CG-CZ 4.09Å; Q46-F124 WeakPolarHBondContact CG-O 3.46Å; F50-F124 HydrophobicContact CZ-CZ 4.01Å; R120-F124 PolarHBondContact O-N 3.35Å; I121-F124 VanDerWaalsContact O-CB 3.31Å; I121-F124 WeakPolarHBondContact O-CB 3.49Å; I121-F124 PolarHBondContact O-N 2.82Å; I121-F124 VanDerWaalsContact O-N 3.09Å; V122-F124 PolarHBondContact O-N 3.19Å |
| 125 | Y | 90.9 | Very high | 94 | Very high | 59 Ų | 59 | 74.2 Ų | 74.2 | 23% | 0.231 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -78 | -27.4 | 178.3 | -63.4 | -81.2 | 0 | 0 | 0 | 113.4 | I121 V122 P127 | I121-Y125 HydrophobicContact CG2-CE2 4.35Å; I121-Y125 WeakPolarHBondContact O-CD2 3.32Å; V122-Y125 PolarHBondContact O-N 3.27Å; V122-Y125 VanDerWaalsContact O-N 3.09Å; Y125-P127 WeakPolarHBondContact O-CD 3.33Å |
| 126 | Y | 94.2 | Very high | 94.1 | Very high | 16 Ų | 16 | 72.5 Ų | 72.5 | 6% | 0.063 | 35% | 0.345 | C | S | . | . | trans | -124.7 | 77.5 | 179.9 | -56.9 | -81.3 | 0 | 0 | 0 | 111.1 | Q43 V101 C103 A108 V122 K123 S128 I129 A149 | Q43-Y126 HydrophobicContact CB-CD1 4.07Å; V101-Y126 HydrophobicContact CB-CE2 4.39Å; V101-Y126 HydrophobicContact CG1-CD1 4.35Å; V101-Y126 HydrophobicContact CG1-CD2 4.18Å; V101-Y126 HydrophobicContact CG1-CE1 4.34Å; V101-Y126 HydrophobicContact CG1-CE2 4.18Å; V101-Y126 HydrophobicContact CG1-CG 4.28Å; V101-Y126 HydrophobicContact CG2-CD2 4.35Å; V101-Y126 HydrophobicContact CG2-CE2 4.06Å; C103-Y126 WeakPolarHBondContact SG-CE1 3.37Å; A108-Y126 HydrophobicContact CB-CD1 3.57Å; A108-Y126 HydrophobicContact CB-CE1 4.47Å; A108-Y126 HydrophobicContact CB-CG 3.79Å; V122-Y126 HydrophobicContact CG1-CD2 3.66Å; V122-Y126 HydrophobicContact CG1-CE2 4.29Å; V122-Y126 WeakPolarHBondContact O-CD2 3.46Å; V122-Y126 PolarHBondContact O-N 3.01Å; K123-Y126 CarbonylContact O-C 3.5Å; K123-Y126 VanDerWaalsContact O-C 3.28Å; Y126-S128 PolarHBondContact O-N 3.21Å; Y126-S128 VanDerWaalsContact O-N 3.16Å; Y126-I129 WeakPolarHBondContact O-CB 3.36Å; Y126-I129 VanDerWaalsContact O-CG2 3.26Å; Y126-I129 WeakPolarHBondContact O-CG2 3.35Å; Y126-I129 PolarHBondContact O-N 3.3Å; Y126-I129 VanDerWaalsContact O-N 3.17Å; Y126-A149 WeakPolarHBondContact OH-CB 2.95Å | ||
| 127 | P | 92.9 | Very high | 94.3 | Very high | 54 Ų | 54 | 69.4 Ų | 69.4 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -32.7 | -177.4 | -28 | 36.2 | 0 | 0 | 0 | 113.8 | D45 Q46 K123 Y125 I129 | D45-P127 HydrophobicContact CB-CB 4.35Å; D45-P127 HydrophobicContact CB-CG 4.32Å; Q46-P127 HydrophobicContact CB-CG 4.02Å; K123-P127 WeakPolarHBondContact O-CA 3.38Å; Y125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-I129 VanDerWaalsContact C-N 3.31Å; P127-I129 PolarHBondContact O-N 3.06Å |
| 128 | S | 90.7 | Very high | 94.5 | Very high | 43 Ų | 43 | 65.1 Ų | 65.1 | 30% | 0.301 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 30.8 | -178.7 | -68.2 | 0 | 0 | 0 | 0 | 113 | D45 S107 A108 Y126 | D45-S128 WeakPolarHBondContact OD2-CB 3.19Å; D45-S128 PolarHBondContact OD2-OG 2.68Å; S107-S128 WeakPolarHBondContact CA-O 3.46Å; S107-S128 WeakPolarHBondContact CB-O 3.42Å; S107-S128 PolarHBondContact OG-O 2.94Å; A108-S128 PolarHBondContact N-O 2.82Å; Y126-S128 PolarHBondContact O-N 3.21Å; Y126-S128 VanDerWaalsContact O-N 3.16Å |
| 129 | I | 96 | Very high | 94.7 | Very high | 19 Ų | 19 | 65.7 Ų | 65.7 | 10% | 0.097 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 144.4 | -176.6 | -166.3 | 163.8 | 0 | 0 | 0 | 114.4 | A108 V110 F119 V122 K123 Y126 P127 | A108-I129 HydrophobicContact CB-CB 4.29Å; A108-I129 HydrophobicContact CB-CG1 4.16Å; A108-I129 CarbonylContact O-C 3.48Å; A108-I129 VanDerWaalsContact O-CA 3.28Å; A108-I129 WeakPolarHBondContact O-CA 3.42Å; V110-I129 HydrophobicContact CB-CD1 4.26Å; V110-I129 HydrophobicContact CG1-CD1 3.47Å; V110-I129 VanDerWaalsContact CG1-CD1 3.47Å; V110-I129 HydrophobicContact CG1-CG1 4.29Å; V110-I129 HydrophobicContact CG2-CD1 3.8Å; V110-I129 HydrophobicContact CG2-CG1 4.01Å; F119-I129 HydrophobicContact CE2-CD1 4.18Å; F119-I129 HydrophobicContact CE2-CG1 4.25Å; F119-I129 HydrophobicContact CE2-CG2 3.78Å; F119-I129 HydrophobicContact CZ-CG2 3.79Å; V122-I129 HydrophobicContact CB-CD1 4.36Å; V122-I129 HydrophobicContact CG1-CD1 3.42Å; V122-I129 VanDerWaalsContact CG1-CD1 3.42Å; K123-I129 HydrophobicContact CB-CG2 4.09Å; K123-I129 HydrophobicContact CG-CG2 3.97Å; Y126-I129 WeakPolarHBondContact O-CB 3.36Å; Y126-I129 VanDerWaalsContact O-CG2 3.26Å; Y126-I129 WeakPolarHBondContact O-CG2 3.35Å; Y126-I129 PolarHBondContact O-N 3.3Å; Y126-I129 VanDerWaalsContact O-N 3.17Å; P127-I129 VanDerWaalsContact C-N 3.31Å; P127-I129 PolarHBondContact O-N 3.06Å |
| 130 | K | 96.5 | Very high | 94.7 | Very high | 104 Ų | 104 | 69.9 Ų | 69.9 | 45% | 0.452 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 143.1 | 173.9 | -71 | 174.7 | -172.9 | 174 | 0 | 111.4 | S107 A108 Y109 V110 | S107-K130 WeakPolarHBondContact OG-CD 3.39Å; S107-K130 WeakPolarHBondContact OG-CG 3.39Å; A108-K130 PolarHBondContact O-N 3.33Å; Y109-K130 WeakPolarHBondContact CA-O 3.4Å; Y109-K130 HydrophobicContact CD1-CB 4.05Å; Y109-K130 HydrophobicContact CE1-CB 4.3Å; Y109-K130 HydrophobicContact CE1-CD 4.19Å; V110-K130 PolarHBondContact N-O 3.02Å |
| 131 | K | 97.5 | Very high | 94.8 | Very high | 77 Ų | 77 | 64.1 Ų | 64.1 | 34% | 0.335 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 132.4 | 169.3 | -71.3 | -174.7 | 178.4 | -164.6 | 0 | 109.2 | V110 K112 I114 D116 F119 | V110-K131 HydrophobicContact CG2-CG 4Å; V110-K131 CarbonylContact O-C 3.58Å; V110-K131 WeakPolarHBondContact O-CA 3.24Å; K112-K131 HydrophobicContact CB-CB 4.36Å; I114-K131 HydrophobicContact CG2-CD 4.4Å; D116-K131 IonicContact OD1-NZ 2.85Å; D116-K131 PolarHBondContact OD1-NZ 2.61Å; F119-K131 VanDerWaalsContact CD2-CE 3.49Å; F119-K131 HydrophobicContact CD2-CG 4.38Å; F119-K131 HydrophobicContact CE2-CD 4.36Å; F119-K131 HydrophobicContact CE2-CG 3.89Å; F119-K131 HydrophobicContact CZ-CG 4.28Å |
| 132 | L | 97.5 | Very high | 94.9 | Very high | 15 Ų | 15 | 66.8 Ų | 66.8 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 149.9 | 173.4 | -62.9 | -177.8 | 0 | 0 | 0 | 110.8 | Y109 V110 K112 R134 V138 | Y109-L132 HydrophobicContact CD1-CD1 3.68Å; Y109-L132 HydrophobicContact CD1-CD2 4.02Å; Y109-L132 HydrophobicContact CD1-CG 3.83Å; Y109-L132 HydrophobicContact CE1-CD1 4.48Å; Y109-L132 HydrophobicContact CE1-CD2 4.46Å; Y109-L132 HydrophobicContact CG-CD1 4Å; Y109-L132 HydrophobicContact CG-CG 4.45Å; V110-L132 PolarHBondContact O-N 3.16Å; K112-L132 WeakPolarHBondContact CB-O 3.35Å; K112-L132 PolarHBondContact N-O 3.01Å; L132-R134 VanDerWaalsContact C-N 3.29Å; L132-R134 WeakPolarHBondContact CB-O 3.49Å; L132-R134 PolarHBondContact O-N 2.71Å; L132-V138 HydrophobicContact CD1-CB 4.12Å |
| 133 | E | 96.5 | Very high | 95.1 | Very high | 121 Ų | 121 | 67.2 Ų | 67.2 | 57% | 0.565 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -57.3 | -44.1 | 174.8 | -71.3 | -67.4 | 135.4 | 0 | 0 | 111.6 | K112 | K112-E133 WeakPolarHBondContact CD-OE1 3.42Å; K112-E133 WeakPolarHBondContact CD-OE2 3.29Å; K112-E133 WeakPolarHBondContact CE-OE2 3.23Å; K112-E133 IonicContact NZ-OE1 3.77Å; K112-E133 IonicContact NZ-OE2 2.64Å; K112-E133 PolarHBondContact NZ-OE2 3.39Å |
| 134 | R | 93.8 | Very high | 95.2 | Very high | 189 Ų | 189 | 64.6 Ų | 64.6 | 71% | 0.713 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -135.1 | 143.8 | 167.4 | -59.7 | 174.5 | -179.8 | 169.2 | -0.4 | 108.7 | L132 G136 D137 | L132-R134 VanDerWaalsContact C-N 3.29Å; L132-R134 WeakPolarHBondContact CB-O 3.49Å; L132-R134 PolarHBondContact O-N 2.71Å; R134-G136 PolarHBondContact O-N 2.78Å; R134-D137 PolarHBondContact N-OD2 3.38Å; R134-D137 WeakPolarHBondContact O-CB 3.46Å; R134-D137 PolarHBondContact O-N 3.4Å |
| 135 | L | 94.9 | Very high | 95.6 | Very high | 18 Ų | 18 | 60.3 Ų | 60.3 | 9% | 0.094 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -60 | -30.9 | 176.6 | -79.9 | 176.5 | 0 | 0 | 0 | 113.1 | L89 L100 V102 V110 D137 V138 | L89-L135 HydrophobicContact CD1-CB 4.36Å; L89-L135 HydrophobicContact CD2-CB 4.16Å; L89-L135 HydrophobicContact CD2-CD1 4.39Å; L100-L135 HydrophobicContact CB-CD1 4.24Å; L100-L135 HydrophobicContact CD2-CD1 3.43Å; L100-L135 VanDerWaalsContact CD2-CD1 3.43Å; L100-L135 HydrophobicContact CG-CD1 3.55Å; V102-L135 HydrophobicContact CG2-CD2 3.92Å; V110-L135 VanDerWaalsContact C-CD2 3.44Å; L135-D137 PolarHBondContact O-N 3.4Å; L135-V138 VanDerWaalsContact O-CB 3.28Å; L135-V138 WeakPolarHBondContact O-CB 3.26Å; L135-V138 VanDerWaalsContact O-CG1 3.25Å; L135-V138 WeakPolarHBondContact O-CG1 3.4Å; L135-V138 PolarHBondContact O-N 2.81Å; L135-V138 VanDerWaalsContact O-N 3.08Å |
| 136 | G | 95.5 | Very high | 95.9 | Very high | 32 Ų | 32 | 57.7 Ų | 57.7 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -62.6 | -18.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | R134 V138 A139 | R134-G136 PolarHBondContact O-N 2.78Å; G136-V138 PolarHBondContact O-N 2.89Å; G136-V138 VanDerWaalsContact O-N 3.13Å; G136-A139 PolarHBondContact O-N 2.92Å |
| 137 | D | 97 | Very high | 96 | Very high | 48 Ų | 48 | 57 Ų | 57 | 26% | 0.257 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -70.9 | -2.9 | 174.4 | -57.6 | -32.6 | 0 | 0 | 0 | 112.3 | R134 L135 A139 N140 | R134-D137 PolarHBondContact N-OD2 3.38Å; R134-D137 WeakPolarHBondContact O-CB 3.46Å; R134-D137 PolarHBondContact O-N 3.4Å; L135-D137 PolarHBondContact O-N 3.4Å; D137-A139 PolarHBondContact O-N 2.93Å; D137-N140 WeakPolarHBondContact O-CB 3.48Å; D137-N140 PolarHBondContact O-N 3.01Å |
| 138 | V | 97.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -55.7 | -28.9 | 166.6 | 75.2 | 0 | 0 | 0 | 0 | 111.4 | M82 V85 L89 V102 Y109 L132 L135 G136 N140 Q141 I145 | M82-V138 HydrophobicContact SD-CG1 4.35Å; V85-V138 HydrophobicContact CG1-CG1 3.92Å; L89-V138 HydrophobicContact CD1-CG1 4.36Å; V102-V138 HydrophobicContact CG1-CG2 4.13Å; Y109-V138 HydrophobicContact CD2-CG2 3.79Å; Y109-V138 HydrophobicContact CE2-CG2 3.98Å; Y109-V138 HydrophobicContact CG-CG2 4.24Å; L132-V138 HydrophobicContact CD1-CB 4.12Å; L135-V138 VanDerWaalsContact O-CB 3.28Å; L135-V138 WeakPolarHBondContact O-CB 3.26Å; L135-V138 VanDerWaalsContact O-CG1 3.25Å; L135-V138 WeakPolarHBondContact O-CG1 3.4Å; L135-V138 PolarHBondContact O-N 2.81Å; L135-V138 VanDerWaalsContact O-N 3.08Å; G136-V138 PolarHBondContact O-N 2.89Å; G136-V138 VanDerWaalsContact O-N 3.13Å; V138-N140 PolarHBondContact O-N 3.43Å; V138-Q141 VanDerWaalsContact O-CB 3.29Å; V138-Q141 WeakPolarHBondContact O-CB 2.96Å; V138-Q141 PolarHBondContact O-N 3.19Å; V138-I145 HydrophobicContact CG2-CD1 3.51Å; V138-I145 HydrophobicContact CG2-CG1 3.79Å |
| 139 | A | 97 | Very high | 96.5 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 34% | 0.339 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -63.2 | -20.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | M82 L86 G136 D137 | M82-A139 HydrophobicContact CG-CB 3.89Å; M82-A139 HydrophobicContact SD-CB 3.79Å; L86-A139 HydrophobicContact CD1-CB 4.37Å; L86-A139 HydrophobicContact CD2-CB 4.39Å; G136-A139 PolarHBondContact O-N 2.92Å; D137-A139 PolarHBondContact O-N 2.93Å |
| 140 | N | 97 | Very high | 96.5 | Very high | 125 Ų | 125 | 52 Ų | 52 | 67% | 0.668 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -92.2 | -1.4 | 175.3 | -56.3 | -42.5 | 0 | 0 | 0 | 112.3 | D137 V138 | D137-N140 WeakPolarHBondContact O-CB 3.48Å; D137-N140 PolarHBondContact O-N 3.01Å; V138-N140 PolarHBondContact O-N 3.43Å |
| 141 | Q | 95.5 | Very high | 96.3 | Very high | 59 Ų | 59 | 49 Ų | 49 | 28% | 0.276 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -90.4 | 132.7 | 174.4 | -50.3 | -60.8 | -55.5 | 0 | 0 | 108 | Y109 V138 D143 | Y109-Q141 HydrophobicContact CD1-CG 4.43Å; Y109-Q141 HydrophobicContact CE1-CB 4.34Å; Y109-Q141 HydrophobicContact CE1-CG 3.68Å; V138-Q141 VanDerWaalsContact O-CB 3.29Å; V138-Q141 WeakPolarHBondContact O-CB 2.96Å; V138-Q141 PolarHBondContact O-N 3.19Å; Q141-D143 HydrophobicContact CB-CB 4.36Å; Q141-D143 PolarHBondContact O-N 2.67Å |
| 142 | E | 94.1 | Very high | 95.9 | Very high | 168 Ų | 168 | 45.8 Ų | 45.8 | 79% | 0.785 | 23% | 0.233 | S | C | * | . | trans | -74.6 | 66 | 169.1 | -65.1 | -179.9 | 178.9 | 0 | 0 | 109.7 | K106 | K106-E142 VanDerWaalsContact CD-O 3.25Å; K106-E142 WeakPolarHBondContact CD-O 3.25Å; K106-E142 WeakPolarHBondContact CE-O 3.49Å; K106-E142 PolarHBondContact NZ-O 3.22Å | ||
| 143 | D | 97.3 | Very high | 95.2 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | trans | -128.8 | 156.8 | -178.7 | -156.2 | -0.8 | 0 | 0 | 0 | 112.3 | K105 K106 S107 Y109 Q141 I145 | K105-D143 PolarHBondContact N-OD1 2.87Å; K105-D143 VanDerWaalsContact N-OD1 3.08Å; K106-D143 WeakPolarHBondContact CB-OD2 3.46Å; K106-D143 WeakPolarHBondContact CG-OD1 3.23Å; K106-D143 VanDerWaalsContact N-CG 3.33Å; K106-D143 PolarHBondContact N-OD1 3.03Å; K106-D143 PolarHBondContact N-OD2 2.77Å; S107-D143 PolarHBondContact N-OD2 3.08Å; S107-D143 VanDerWaalsContact N-OD2 3.09Å; Y109-D143 HydrophobicContact CE2-CB 4.35Å; Y109-D143 WeakPolarHBondContact CE2-OD2 3.34Å; Y109-D143 WeakPolarHBondContact OH-CB 3.47Å; Y109-D143 PolarHBondContact OH-OD2 3Å; Y109-D143 VanDerWaalsContact OH-OD2 3.13Å; Q141-D143 HydrophobicContact CB-CB 4.36Å; Q141-D143 PolarHBondContact O-N 2.67Å; D143-I145 HydrophobicContact CB-CD1 4.2Å | ||
| 144 | E | 97.3 | Very high | 94.2 | Very high | 57 Ų | 57 | 47.6 Ų | 47.6 | 27% | 0.266 | 25% | 0.251 | S | S | . | . | trans | -99.3 | 95.2 | 176.7 | -60.5 | -177.9 | 97.1 | 0 | 0 | 108.2 | R79 G104 K105 F146 | R79-E144 HydrophobicContact CB-CB 4.26Å; R79-E144 IonicContact NH1-OE1 3.59Å; G104-E144 WeakPolarHBondContact CA-O 3.46Å; K105-E144 HydrophobicContact CB-CB 4.18Å; K105-E144 WeakPolarHBondContact CD-OE2 3.47Å; K105-E144 PolarHBondContact N-O 3.06Å; K105-E144 VanDerWaalsContact N-O 3.09Å; K105-E144 IonicContact NZ-OE2 3.96Å; K105-E144 PolarHBondContact NZ-OE2 2.91Å; E144-F146 WeakPolarHBondContact O-CD1 3.38Å | ||
| 145 | I | 98.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.015 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 137.3 | 179.8 | -54 | -49.1 | 0 | 0 | 0 | 110.1 | R79 L80 M82 V85 V102 Y109 V138 D143 | R79-I145 CarbonylContact C-O 3.55Å; R79-I145 WeakPolarHBondContact CA-O 3.38Å; L80-I145 PolarHBondContact N-O 3.31Å; M82-I145 HydrophobicContact CE-CG1 4.37Å; V85-I145 HydrophobicContact CG1-CG2 4.16Å; V85-I145 HydrophobicContact CG2-CB 3.95Å; V85-I145 HydrophobicContact CG2-CG2 3.83Å; V102-I145 HydrophobicContact CG1-CD1 4.16Å; V102-I145 HydrophobicContact CG1-CG1 4.31Å; V102-I145 HydrophobicContact CG1-CG2 3.49Å; V102-I145 VanDerWaalsContact CG1-CG2 3.49Å; Y109-I145 HydrophobicContact CD2-CD1 4.26Å; Y109-I145 HydrophobicContact CE2-CD1 3.94Å; V138-I145 HydrophobicContact CG2-CD1 3.51Å; V138-I145 HydrophobicContact CG2-CG1 3.79Å; D143-I145 HydrophobicContact CB-CD1 4.2Å |
| 146 | F | 97.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.018 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | -13.2 | -175.7 | 52.1 | -115.2 | 0 | 0 | 0 | 115.6 | E63 A66 A78 C103 K105 E144 I186 | E63-F146 HydrophobicContact CB-CD2 4Å; E63-F146 HydrophobicContact CB-CE2 3.4Å; E63-F146 VanDerWaalsContact CB-CE2 3.4Å; E63-F146 HydrophobicContact CB-CZ 4Å; E63-F146 VanDerWaalsContact CD-CE2 3.49Å; E63-F146 HydrophobicContact CG-CD2 4.4Å; E63-F146 HydrophobicContact CG-CE2 3.35Å; E63-F146 HydrophobicContact CG-CZ 3.56Å; A66-F146 HydrophobicContact CB-CB 3.77Å; A66-F146 HydrophobicContact CB-CD1 4.37Å; A66-F146 HydrophobicContact CB-CD2 3.52Å; A66-F146 HydrophobicContact CB-CE2 4.3Å; A66-F146 HydrophobicContact CB-CG 3.62Å; A78-F146 HydrophobicContact CB-CB 4.39Å; C103-F146 HydrophobicContact CB-CD2 4.31Å; C103-F146 HydrophobicContact CB-CE2 3.61Å; C103-F146 HydrophobicContact CB-CZ 4.23Å; C103-F146 PolarHBondContact O-N 2.75Å; K105-F146 HydrophobicContact CB-CE1 4.25Å; K105-F146 VanDerWaalsContact N-CE1 3.34Å; E144-F146 WeakPolarHBondContact O-CD1 3.38Å; F146-I186 HydrophobicContact CB-CD1 4.09Å; F146-I186 WeakPolarHBondContact O-CG1 3.37Å |
| 147 | K | 97.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 159.4 | -177.4 | -166.8 | -169 | 78.2 | 164.7 | 0 | 110.7 | G41 E63 C103 D183 L184 I185 | G41-K147 PolarHBondContact O-NZ 3.47Å; E63-K147 WeakPolarHBondContact OE2-CE 3.48Å; E63-K147 IonicContact OE2-NZ 2.69Å; E63-K147 PolarHBondContact OE2-NZ 3.15Å; E63-K147 VanDerWaalsContact OE2-NZ 3.07Å; C103-K147 HydrophobicContact CB-CB 4.14Å; C103-K147 PolarHBondContact N-O 2.91Å; C103-K147 PolarHBondContact O-N 3.33Å; K147-D183 HydrophobicContact CD-CB 3.96Å; K147-D183 VanDerWaalsContact CE-OD1 3.24Å; K147-D183 WeakPolarHBondContact CE-OD1 3.34Å; K147-D183 HydrophobicContact CG-CB 4.41Å; K147-D183 IonicContact NZ-OD1 3.22Å; K147-D183 PolarHBondContact NZ-OD1 2.64Å; K147-D183 IonicContact NZ-OD2 2.79Å; K147-D183 PolarHBondContact NZ-OD2 3Å; K147-L184 WeakPolarHBondContact CA-O 3.12Å; K147-L184 WeakPolarHBondContact CG-O 3.49Å; K147-I185 HydrophobicContact CD-CG2 4.18Å; K147-I185 HydrophobicContact CG-CG2 4.13Å |
| 148 | F | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 139.3 | 163.3 | -54.4 | -97.1 | 0 | 0 | 0 | 109.3 | L80 V85 T88 L89 I92 L100 V101 V102 M172 D183 L184 | L80-F148 HydrophobicContact CD1-CE2 4.06Å; V85-F148 HydrophobicContact CB-CZ 4.32Å; V85-F148 HydrophobicContact CG1-CE1 4.35Å; V85-F148 HydrophobicContact CG1-CZ 3.89Å; T88-F148 HydrophobicContact CG2-CD2 3.66Å; T88-F148 HydrophobicContact CG2-CE1 4.43Å; T88-F148 HydrophobicContact CG2-CE2 3.37Å; T88-F148 HydrophobicContact CG2-CG 4.32Å; T88-F148 HydrophobicContact CG2-CZ 3.78Å; L89-F148 HydrophobicContact CD2-CD1 4.19Å; L89-F148 HydrophobicContact CD2-CE1 3.74Å; L89-F148 HydrophobicContact CG-CE1 3.79Å; L89-F148 HydrophobicContact CG-CZ 4.43Å; I92-F148 HydrophobicContact CD1-CB 4.24Å; I92-F148 HydrophobicContact CD1-CD1 4.11Å; I92-F148 HydrophobicContact CD1-CG 4.04Å; L100-F148 HydrophobicContact CD1-CB 4.26Å; L100-F148 HydrophobicContact CD1-CD1 4.08Å; V101-F148 CarbonylContact O-C 3.37Å; V101-F148 VanDerWaalsContact O-CA 3.26Å; V101-F148 WeakPolarHBondContact O-CA 3.11Å; V102-F148 HydrophobicContact CB-CD1 4.28Å; V102-F148 HydrophobicContact CB-CE1 4.29Å; V102-F148 HydrophobicContact CG1-CD1 4.2Å; V102-F148 HydrophobicContact CG1-CE1 3.85Å; V102-F148 HydrophobicContact CG2-CD1 3.83Å; V102-F148 HydrophobicContact CG2-CE1 3.79Å; F148-M172 HydrophobicContact CD2-CE 3.93Å; F148-M172 HydrophobicContact CE2-CE 4.15Å; F148-D183 CarbonylContact O-C 3.58Å; F148-D183 WeakPolarHBondContact O-CA 3.24Å; F148-L184 HydrophobicContact CB-CB 4.14Å; F148-L184 HydrophobicContact CB-CD1 4.17Å; F148-L184 HydrophobicContact CB-CG 4.35Å; F148-L184 HydrophobicContact CD2-CB 4.28Å; F148-L184 HydrophobicContact CD2-CD1 4.46Å; F148-L184 PolarHBondContact N-O 3.17Å; F148-L184 VanDerWaalsContact N-O 3.17Å; F148-L184 PolarHBondContact O-N 3.34Å |
| 149 | A | 96 | Very high | 91.4 | Very high | 10 Ų | 10 | 56.4 Ų | 56.4 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V101 Y126 D183 | V101-A149 HydrophobicContact CB-CB 4.23Å; V101-A149 PolarHBondContact N-O 3.03Å; V101-A149 PolarHBondContact O-N 3.1Å; Y126-A149 WeakPolarHBondContact OH-CB 2.95Å; A149-D183 VanDerWaalsContact CB-OD1 3.32Å; A149-D183 WeakPolarHBondContact CB-OD1 3.04Å |
| 150 | L | 95.1 | Very high | 91 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 128.4 | -176 | -49.2 | -178.5 | 0 | 0 | 0 | 109.2 | I92 P97 V99 L100 F152 L164 D181 I182 L184 | I92-L150 HydrophobicContact CD1-CD2 4.25Å; I92-L150 HydrophobicContact CG1-CD1 4.45Å; I92-L150 HydrophobicContact CG2-CD1 4.2Å; I92-L150 HydrophobicContact CG2-CD2 3.61Å; P97-L150 HydrophobicContact CB-CB 4.47Å; P97-L150 HydrophobicContact CG-CD2 4.42Å; V99-L150 WeakPolarHBondContact O-CA 3.49Å; L100-L150 HydrophobicContact CB-CD2 4.31Å; L100-L150 HydrophobicContact CD1-CD2 3.37Å; L100-L150 HydrophobicContact CG-CD2 4.36Å; L150-F152 HydrophobicContact CB-CD2 4.15Å; L150-F152 HydrophobicContact CB-CE2 3.57Å; L150-F152 HydrophobicContact CB-CZ 4.26Å; L150-F152 HydrophobicContact CD1-CE2 3.81Å; L150-F152 HydrophobicContact CD1-CZ 4Å; L150-F152 HydrophobicContact CG-CE2 4.34Å; L150-L164 HydrophobicContact CD1-CD1 3.92Å; L150-L164 HydrophobicContact CD1-CD2 3.99Å; L150-D181 WeakPolarHBondContact O-CA 3.28Å; L150-I182 HydrophobicContact CB-CB 4.49Å; L150-I182 WeakPolarHBondContact CB-O 3.37Å; L150-I182 PolarHBondContact N-O 2.95Å; L150-I182 PolarHBondContact O-N 3.17Å; L150-L184 HydrophobicContact CD1-CD1 3.93Å; L150-L184 HydrophobicContact CD1-CD2 4.24Å; L150-L184 HydrophobicContact CD1-CG 3.98Å; L150-L184 HydrophobicContact CG-CG 4.41Å |
| 151 | T | 92.8 | Very high | 90.7 | Very high | 41 Ų | 41 | 51.5 Ų | 51.5 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126.9 | 166.9 | -53.6 | 0 | 0 | 0 | 0 | 108.6 | I98 V99 D181 | I98-T151 WeakPolarHBondContact CB-O 3.3Å; I98-T151 PolarHBondContact N-O 3.05Å; V99-T151 PolarHBondContact N-O 3.23Å; V99-T151 PolarHBondContact O-N 3.43Å; T151-D181 WeakPolarHBondContact CA-OD1 3.45Å; T151-D181 VanDerWaalsContact CB-OD1 3.27Å; T151-D181 WeakPolarHBondContact CB-OD1 3.37Å; T151-D181 WeakPolarHBondContact CG2-OD1 3.42Å; T151-D181 PolarHBondContact OG1-OD1 2.8Å |
| 152 | F | 88.4 | Confident | 90.4 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 4% | 0.044 | 27% | 0.273 | C | S | . | . | trans | -115.1 | 172.7 | 169.8 | -63.1 | -89 | 0 | 0 | 0 | 110.8 | L95 P97 L150 I157 K160 L164 G180 I182 | L95-F152 HydrophobicContact CB-CE1 4.38Å; P97-F152 HydrophobicContact CB-CD1 4.22Å; P97-F152 HydrophobicContact CB-CE1 3.81Å; P97-F152 HydrophobicContact CB-CZ 3.99Å; L150-F152 HydrophobicContact CB-CD2 4.15Å; L150-F152 HydrophobicContact CB-CE2 3.57Å; L150-F152 HydrophobicContact CB-CZ 4.26Å; L150-F152 HydrophobicContact CD1-CE2 3.81Å; L150-F152 HydrophobicContact CD1-CZ 4Å; L150-F152 HydrophobicContact CG-CE2 4.34Å; F152-I157 HydrophobicContact CB-CD1 4.25Å; F152-K160 HydrophobicContact CB-CD 3.6Å; F152-K160 HydrophobicContact CD1-CD 3.77Å; F152-K160 HydrophobicContact CD1-CG 4.42Å; F152-K160 HydrophobicContact CD2-CD 4.06Å; F152-K160 HydrophobicContact CE1-CD 4.41Å; F152-K160 HydrophobicContact CG-CD 3.56Å; F152-L164 HydrophobicContact CE2-CD1 4.16Å; F152-L164 HydrophobicContact CZ-CD1 4.38Å; F152-G180 PolarHBondContact N-O 3.4Å; F152-G180 VanDerWaalsContact N-O 3.17Å; F152-I182 HydrophobicContact CD2-CD1 3.93Å; F152-I182 HydrophobicContact CD2-CG1 4.45Å; F152-I182 HydrophobicContact CE2-CD1 3.94Å | ||
| 153 | S | 83.1 | Confident | 90.3 | Very high | 58 Ų | 58 | 44.6 Ų | 44.6 | 41% | 0.406 | 25% | 0.247 | S | C | . | . | trans | -60.1 | 145.4 | 163 | 57.7 | 0 | 0 | 0 | 0 | 110.3 | I155 I157 K160 | S153-I155 PolarHBondContact O-N 3.41Å; S153-I157 WeakPolarHBondContact O-CD1 3.38Å; S153-K160 PolarHBondContact O-NZ 3.3Å; S153-K160 PolarHBondContact OG-NZ 2.94Å; S153-K160 VanDerWaalsContact OG-NZ 3.07Å | ||
| 154 | N | 75.9 | Confident | 90.1 | Very high | 115 Ų | 115 | 43.7 Ų | 43.7 | 62% | 0.615 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -66.4 | 4.1 | 179.5 | -65.1 | 9.6 | 0 | 0 | 0 | 114.1 | H179 G180 | N154-H179 PolarHBondContact OD1-O 3.13Å; N154-G180 WeakPolarHBondContact OD1-CA 3.33Å |
| 155 | I | 77.4 | Confident | 89.8 | Confident | 142 Ų | 142 | 46 Ų | 46 | 73% | 0.728 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -95.2 | 125.7 | 176.4 | -62.4 | 162.6 | 0 | 0 | 0 | 108.4 | S153 K160 | S153-I155 PolarHBondContact O-N 3.41Å; I155-K160 PolarHBondContact O-NZ 2.99Å |
| 156 | G | 81.7 | Confident | 89.5 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 25% | 0.247 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 71.2 | 42.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E159 K160 | G156-E159 WeakPolarHBondContact CA-OE2 3.26Å; G156-K160 WeakPolarHBondContact O-CD 3.24Å; G156-K160 VanDerWaalsContact O-CG 3.3Å; G156-K160 WeakPolarHBondContact O-CG 3.45Å; G156-K160 PolarHBondContact O-N 2.83Å; G156-K160 VanDerWaalsContact O-N 3.13Å |
| 157 | I | 84.3 | Confident | 89.2 | Confident | 28 Ų | 28 | 56.5 Ų | 56.5 | 14% | 0.144 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.7 | -37.5 | 179.7 | -66.8 | -63.5 | 0 | 0 | 0 | 111.4 | F152 S153 K160 L161 I182 | F152-I157 HydrophobicContact CB-CD1 4.25Å; S153-I157 WeakPolarHBondContact O-CD1 3.38Å; I157-K160 HydrophobicContact CD1-CD 4.25Å; I157-K160 PolarHBondContact O-N 2.81Å; I157-L161 HydrophobicContact CG2-CD1 4.22Å; I157-L161 HydrophobicContact CG2-CG 4.42Å; I157-L161 WeakPolarHBondContact O-CG 3.41Å; I157-L161 PolarHBondContact O-N 3.34Å; I157-I182 HydrophobicContact CG2-CD1 4.35Å; I157-I182 HydrophobicContact CG2-CG1 4.47Å |
| 158 | E | 86.6 | Confident | 88.9 | Confident | 147 Ų | 147 | 56.8 Ų | 56.8 | 69% | 0.687 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.1 | -41.2 | 177.7 | -65.5 | -175.3 | 169.7 | 0 | 0 | 111.6 | K160 L161 A162 | E158-K160 VanDerWaalsContact C-N 3.31Å; E158-K160 PolarHBondContact O-N 3Å; E158-L161 PolarHBondContact O-N 2.83Å; E158-A162 WeakPolarHBondContact O-CB 3.27Å; E158-A162 PolarHBondContact O-N 3.22Å |
| 159 | E | 88.8 | Confident | 88.4 | Confident | 131 Ų | 131 | 59.6 Ų | 59.6 | 61% | 0.612 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -65.6 | -35.6 | 175.5 | -61.9 | 90.8 | 150.9 | 0 | 0 | 111.8 | G156 A163 | G156-E159 WeakPolarHBondContact CA-OE2 3.26Å; E159-A163 WeakPolarHBondContact O-CB 3.5Å; E159-A163 PolarHBondContact O-N 2.87Å |
| 160 | K | 88.9 | Confident | 87.9 | Confident | 43 Ų | 43 | 66 Ų | 66 | 19% | 0.187 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.2 | -40.8 | 174.8 | -72.9 | 160.7 | 175.6 | 151.5 | 0 | 112.3 | F152 S153 I155 G156 I157 E158 A163 L164 I182 | F152-K160 HydrophobicContact CB-CD 3.6Å; F152-K160 HydrophobicContact CD1-CD 3.77Å; F152-K160 HydrophobicContact CD1-CG 4.42Å; F152-K160 HydrophobicContact CD2-CD 4.06Å; F152-K160 HydrophobicContact CE1-CD 4.41Å; F152-K160 HydrophobicContact CG-CD 3.56Å; S153-K160 PolarHBondContact O-NZ 3.3Å; S153-K160 PolarHBondContact OG-NZ 2.94Å; S153-K160 VanDerWaalsContact OG-NZ 3.07Å; I155-K160 PolarHBondContact O-NZ 2.99Å; G156-K160 WeakPolarHBondContact O-CD 3.24Å; G156-K160 VanDerWaalsContact O-CG 3.3Å; G156-K160 WeakPolarHBondContact O-CG 3.45Å; G156-K160 PolarHBondContact O-N 2.83Å; G156-K160 VanDerWaalsContact O-N 3.13Å; I157-K160 HydrophobicContact CD1-CD 4.25Å; I157-K160 PolarHBondContact O-N 2.81Å; E158-K160 VanDerWaalsContact C-N 3.31Å; E158-K160 PolarHBondContact O-N 3Å; K160-A163 PolarHBondContact O-N 2.96Å; K160-L164 WeakPolarHBondContact O-CB 3.48Å; K160-L164 WeakPolarHBondContact O-CD1 3.48Å; K160-L164 VanDerWaalsContact O-CG 3.28Å; K160-L164 WeakPolarHBondContact O-CG 3.43Å; K160-L164 PolarHBondContact O-N 3.07Å; K160-I182 HydrophobicContact CB-CD1 4.01Å |
| 161 | L | 90.4 | Very high | 87.8 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 11% | 0.105 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.1 | -51.3 | 172.5 | -74.9 | 169.7 | 0 | 0 | 0 | 109.8 | I157 E158 A163 L164 E165 P174 I182 | I157-L161 HydrophobicContact CG2-CD1 4.22Å; I157-L161 HydrophobicContact CG2-CG 4.42Å; I157-L161 WeakPolarHBondContact O-CG 3.41Å; I157-L161 PolarHBondContact O-N 3.34Å; E158-L161 PolarHBondContact O-N 2.83Å; L161-A163 VanDerWaalsContact C-N 3.34Å; L161-A163 PolarHBondContact O-N 2.93Å; L161-L164 WeakPolarHBondContact O-CB 3.41Å; L161-L164 PolarHBondContact O-N 3.03Å; L161-L164 VanDerWaalsContact O-N 3.12Å; L161-E165 WeakPolarHBondContact O-CG 3.45Å; L161-E165 PolarHBondContact O-N 3.45Å; L161-P174 HydrophobicContact CD2-CB 3.89Å; L161-P174 HydrophobicContact CD2-CG 4.5Å; L161-I182 HydrophobicContact CD2-CB 4.46Å; L161-I182 HydrophobicContact CD2-CD1 3.81Å; L161-I182 HydrophobicContact CD2-CG1 3.91Å; L161-I182 HydrophobicContact CD2-CG2 3.73Å; L161-I182 HydrophobicContact CG-CD1 3.93Å; L161-I182 HydrophobicContact CG-CG1 4.38Å |
| 162 | A | 90.9 | Very high | 87.9 | Confident | 51 Ų | 51 | 67.2 Ų | 67.2 | 42% | 0.421 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.1 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E158 E165 E166 | E158-A162 WeakPolarHBondContact O-CB 3.27Å; E158-A162 PolarHBondContact O-N 3.22Å; A162-E165 PolarHBondContact O-N 3.45Å; A162-E166 WeakPolarHBondContact O-CB 3.33Å; A162-E166 PolarHBondContact O-N 2.82Å |
| 163 | A | 90.5 | Very high | 88.3 | Confident | 31 Ų | 31 | 69.6 Ų | 69.6 | 26% | 0.256 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L95 E159 K160 L161 E166 V167 | L95-A163 HydrophobicContact CD2-CB 4.5Å; E159-A163 WeakPolarHBondContact O-CB 3.5Å; E159-A163 PolarHBondContact O-N 2.87Å; K160-A163 PolarHBondContact O-N 2.96Å; L161-A163 VanDerWaalsContact C-N 3.34Å; L161-A163 PolarHBondContact O-N 2.93Å; A163-E166 PolarHBondContact O-N 3.24Å; A163-V167 WeakPolarHBondContact O-CB 3.21Å; A163-V167 VanDerWaalsContact O-CG2 3.24Å; A163-V167 WeakPolarHBondContact O-CG2 3.49Å; A163-V167 PolarHBondContact O-N 3.13Å |
| 164 | L | 92.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.6 | -42.4 | 175 | -76.2 | 162.5 | 0 | 0 | 0 | 111.5 | L95 L150 F152 K160 L161 E166 V167 L168 P174 I182 L184 | L95-L164 HydrophobicContact CD1-CD2 3.28Å; L95-L164 HydrophobicContact CD1-CG 3.71Å; L150-L164 HydrophobicContact CD1-CD1 3.92Å; L150-L164 HydrophobicContact CD1-CD2 3.99Å; F152-L164 HydrophobicContact CE2-CD1 4.16Å; F152-L164 HydrophobicContact CZ-CD1 4.38Å; K160-L164 WeakPolarHBondContact O-CB 3.48Å; K160-L164 WeakPolarHBondContact O-CD1 3.48Å; K160-L164 VanDerWaalsContact O-CG 3.28Å; K160-L164 WeakPolarHBondContact O-CG 3.43Å; K160-L164 PolarHBondContact O-N 3.07Å; L161-L164 WeakPolarHBondContact O-CB 3.41Å; L161-L164 PolarHBondContact O-N 3.03Å; L161-L164 VanDerWaalsContact O-N 3.12Å; L164-E166 VanDerWaalsContact C-N 3.34Å; L164-E166 PolarHBondContact O-N 3.27Å; L164-V167 PolarHBondContact O-N 3.35Å; L164-L168 HydrophobicContact CB-CD1 4.29Å; L164-L168 HydrophobicContact CD2-CD1 3.91Å; L164-L168 WeakPolarHBondContact O-CB 3.31Å; L164-L168 WeakPolarHBondContact O-CG 3.31Å; L164-L168 PolarHBondContact O-N 3.09Å; L164-P174 HydrophobicContact CB-CB 3.87Å; L164-P174 HydrophobicContact CB-CG 3.91Å; L164-P174 HydrophobicContact CD1-CB 4.26Å; L164-I182 HydrophobicContact CD1-CD1 3.97Å; L164-I182 HydrophobicContact CD1-CG2 3.84Å; L164-L184 HydrophobicContact CD1-CD2 4.15Å; L164-L184 HydrophobicContact CD2-CD1 4.43Å; L164-L184 HydrophobicContact CD2-CD2 4.15Å |
| 165 | E | 92.8 | Very high | 89.7 | Confident | 106 Ų | 106 | 62.4 Ų | 62.4 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 174.8 | -71 | 175.6 | -174.2 | 0 | 0 | 111.3 | L161 A162 A169 P174 | L161-E165 WeakPolarHBondContact O-CG 3.45Å; L161-E165 PolarHBondContact O-N 3.45Å; A162-E165 PolarHBondContact O-N 3.45Å; E165-A169 VanDerWaalsContact O-CA 3.31Å; E165-A169 WeakPolarHBondContact O-CA 3.38Å; E165-A169 PolarHBondContact O-N 2.89Å; E165-P174 HydrophobicContact CB-CG 4.32Å; E165-P174 HydrophobicContact CG-CG 3.32Å |
| 166 | E | 91.4 | Very high | 90.4 | Very high | 165 Ų | 165 | 56.1 Ų | 56.1 | 77% | 0.771 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.6 | -45.1 | 179.5 | -175.4 | 178.2 | 179.6 | 0 | 0 | 112.1 | A162 A163 L164 | A162-E166 WeakPolarHBondContact O-CB 3.33Å; A162-E166 PolarHBondContact O-N 2.82Å; A163-E166 PolarHBondContact O-N 3.24Å; L164-E166 VanDerWaalsContact C-N 3.34Å; L164-E166 PolarHBondContact O-N 3.27Å |
| 167 | V | 90.4 | Very high | 90.5 | Very high | 62 Ų | 62 | 56.5 Ų | 56.5 | 38% | 0.376 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -79 | -38.1 | -173.6 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | E91 A163 L164 | E91-V167 HydrophobicContact CB-CG1 3.58Å; E91-V167 HydrophobicContact CG-CG1 3.72Å; E91-V167 WeakPolarHBondContact OE2-CG1 3.49Å; A163-V167 WeakPolarHBondContact O-CB 3.21Å; A163-V167 VanDerWaalsContact O-CG2 3.24Å; A163-V167 WeakPolarHBondContact O-CG2 3.49Å; A163-V167 PolarHBondContact O-N 3.13Å; L164-V167 PolarHBondContact O-N 3.35Å |
| 168 | L | 91.7 | Very high | 90.3 | Very high | 6 Ų | 6 | 55.6 Ų | 55.6 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -86.8 | -15.2 | -178.7 | -60.2 | 168.8 | 0 | 0 | 0 | 112.6 | T88 E91 L164 D170 Q171 M172 L184 | T88-L168 HydrophobicContact CG2-CD2 4.03Å; E91-L168 HydrophobicContact CB-CD2 4.06Å; L164-L168 HydrophobicContact CB-CD1 4.29Å; L164-L168 HydrophobicContact CD2-CD1 3.91Å; L164-L168 WeakPolarHBondContact O-CB 3.31Å; L164-L168 WeakPolarHBondContact O-CG 3.31Å; L164-L168 PolarHBondContact O-N 3.09Å; L168-D170 PolarHBondContact O-N 2.9Å; L168-Q171 WeakPolarHBondContact O-CB 3.32Å; L168-Q171 PolarHBondContact O-N 2.78Å; L168-M172 HydrophobicContact CB-CB 4.29Å; L168-M172 HydrophobicContact CD1-CB 4.11Å; L168-L184 HydrophobicContact CD1-CD1 3.57Å; L168-L184 HydrophobicContact CD1-CD2 3.71Å; L168-L184 HydrophobicContact CD1-CG 4.21Å |
| 169 | A | 85.8 | Confident | 89.7 | Confident | 59 Ų | 59 | 55.1 Ų | 55.1 | 49% | 0.488 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | -127.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111 | E165 | E165-A169 VanDerWaalsContact O-CA 3.31Å; E165-A169 WeakPolarHBondContact O-CA 3.38Å; E165-A169 PolarHBondContact O-N 2.89Å |
| 170 | D | 87.3 | Confident | 89.2 | Confident | 145 Ų | 145 | 49.1 Ų | 49.1 | 78% | 0.775 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 6 | 179.6 | -61.2 | -40.5 | 0 | 0 | 0 | 113.4 | L168 P187 | L168-D170 PolarHBondContact O-N 2.9Å; D170-P187 WeakPolarHBondContact O-CG 3.49Å |
| 171 | Q | 92 | Very high | 89.3 | Confident | 68 Ų | 68 | 49.3 Ų | 49.3 | 32% | 0.318 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -75.4 | -38.1 | -178.8 | -62.5 | -168.2 | 29.8 | 0 | 0 | 112 | I84 E87 L168 P187 | I84-Q171 HydrophobicContact CG2-CB 4.44Å; E87-Q171 PolarHBondContact OE1-NE2 2.68Å; L168-Q171 WeakPolarHBondContact O-CB 3.32Å; L168-Q171 PolarHBondContact O-N 2.78Å; Q171-P187 VanDerWaalsContact O-CD 3.26Å; Q171-P187 WeakPolarHBondContact O-CD 3.15Å |
| 172 | M | 95.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -145.9 | 137.1 | -177.2 | -66.9 | -61.4 | -67.7 | 0 | 0 | 109.1 | L80 T88 F148 L168 L184 | L80-M172 HydrophobicContact CD1-CE 3.81Å; L80-M172 HydrophobicContact CD1-SD 3.66Å; L80-M172 HydrophobicContact CD2-SD 3.61Å; L80-M172 HydrophobicContact CG-SD 4.27Å; T88-M172 HydrophobicContact CG2-CG 4.2Å; F148-M172 HydrophobicContact CD2-CE 3.93Å; F148-M172 HydrophobicContact CE2-CE 4.15Å; L168-M172 HydrophobicContact CB-CB 4.29Å; L168-M172 HydrophobicContact CD1-CB 4.11Å; M172-L184 HydrophobicContact CB-CB 4.42Å; M172-L184 VanDerWaalsContact CE-C 3.47Å; M172-L184 HydrophobicContact CE-CB 3.91Å; M172-L184 WeakPolarHBondContact CE-O 3.47Å |
| 173 | I | 95.7 | Very high | 89.8 | Confident | 60 Ų | 60 | 46.1 Ų | 46.1 | 31% | 0.308 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.7 | -178.8 | -53.6 | -57.2 | 0 | 0 | 0 | 109.1 | V175 L184 I185 P187 | I173-V175 HydrophobicContact CG2-CG1 4.28Å; I173-L184 WeakPolarHBondContact O-CA 3.3Å; I173-I185 HydrophobicContact CB-CG1 3.96Å; I173-I185 PolarHBondContact N-O 3.12Å; I173-I185 VanDerWaalsContact O-CG1 3.32Å; I173-I185 WeakPolarHBondContact O-CG1 3.46Å; I173-I185 PolarHBondContact O-N 3.27Å; I173-P187 HydrophobicContact CD1-CG 4.37Å; I173-P187 HydrophobicContact CG1-CB 4.18Å; I173-P187 HydrophobicContact CG1-CG 4.1Å |
| 174 | P | 95 | Very high | 90.1 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 5% | 0.052 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 131.3 | 173 | 32.3 | -33.2 | 0 | 0 | 0 | 111 | L161 L164 E165 I182 D183 L184 | L161-P174 HydrophobicContact CD2-CB 3.89Å; L161-P174 HydrophobicContact CD2-CG 4.5Å; L164-P174 HydrophobicContact CB-CB 3.87Å; L164-P174 HydrophobicContact CB-CG 3.91Å; L164-P174 HydrophobicContact CD1-CB 4.26Å; E165-P174 HydrophobicContact CB-CG 4.32Å; E165-P174 HydrophobicContact CG-CG 3.32Å; P174-I182 HydrophobicContact CB-CG2 3.89Å; P174-D183 CarbonylContact C-O 3.28Å; P174-D183 WeakPolarHBondContact CA-O 3.44Å; P174-L184 HydrophobicContact CB-CD2 3.61Å |
| 175 | V | 93.9 | Very high | 90.3 | Very high | 14 Ų | 14 | 45 Ų | 45 | 9% | 0.085 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.7 | 174.4 | -63.5 | 0 | 0 | 0 | 0 | 109.9 | I173 I182 D183 I185 N217 | I173-V175 HydrophobicContact CG2-CG1 4.28Å; V175-I182 CarbonylContact O-C 3.52Å; V175-I182 WeakPolarHBondContact O-CA 3.39Å; V175-D183 HydrophobicContact CG2-CB 3.9Å; V175-D183 PolarHBondContact N-O 2.91Å; V175-D183 PolarHBondContact O-N 3.35Å; V175-I185 HydrophobicContact CG1-CD1 3.75Å; V175-I185 HydrophobicContact CG1-CG1 4.28Å; V175-I185 HydrophobicContact CG2-CD1 4.11Å; V175-I185 HydrophobicContact CG2-CG1 4.36Å; V175-I185 HydrophobicContact CG2-CG2 3.99Å; V175-N217 HydrophobicContact CB-CB 4.29Å; V175-N217 HydrophobicContact CG2-CB 4Å |
| 176 | S | 91.5 | Very high | 90.5 | Very high | 10 Ų | 10 | 41.1 Ų | 41.1 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 128.2 | 174.7 | -176.4 | 0 | 0 | 0 | 0 | 110.6 | G178 G216 N217 | S176-G178 PolarHBondContact OG-N 3.18Å; S176-G216 WeakPolarHBondContact O-CA 3.49Å; S176-G216 PolarHBondContact O-N 3.43Å; S176-N217 PolarHBondContact O-N 3.01Å |
| 177 | S | 84.6 | Confident | 90.7 | Very high | 31 Ų | 31 | 35.9 Ų | 35.9 | 22% | 0.217 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 18 | 174.7 | 48.6 | 0 | 0 | 0 | 0 | 112.7 | D181 | S177-D181 PolarHBondContact N-O 2.75Å; S177-D181 VanDerWaalsContact N-O 3.09Å; S177-D181 VanDerWaalsContact OG-CB 3.24Å; S177-D181 WeakPolarHBondContact OG-CB 3.49Å; S177-D181 PolarHBondContact OG-O 2.88Å |
| 178 | G | 79.5 | Confident | 91 | Very high | 9 Ų | 9 | 35 Ų | 35 | 9% | 0.093 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 87.2 | 166.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.8 | S176 G180 D181 | S176-G178 PolarHBondContact OG-N 3.18Å; G178-G180 PolarHBondContact O-N 3.24Å; G178-D181 WeakPolarHBondContact O-CB 3.39Å; G178-D181 PolarHBondContact O-N 3.18Å |
| 179 | H | 73.9 | Confident | 91.3 | Very high | 137 Ų | 137 | 35.7 Ų | 35.7 | 63% | 0.634 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 21.5 | 169.9 | -56.3 | 92.8 | 0 | 0 | 0 | 118.3 | N154 | N154-H179 PolarHBondContact OD1-O 3.13Š|
| 180 | G | 79.4 | Confident | 91.9 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 6% | 0.062 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95 | 1.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F152 N154 G178 | F152-G180 PolarHBondContact N-O 3.4Å; F152-G180 VanDerWaalsContact N-O 3.17Å; N154-G180 WeakPolarHBondContact OD1-CA 3.33Å; G178-G180 PolarHBondContact O-N 3.24Å |
| 181 | D | 90.6 | Very high | 92.4 | Very high | 47 Ų | 47 | 28 Ų | 28 | 25% | 0.251 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 139.2 | 177 | -62.5 | -47.7 | 0 | 0 | 0 | 111.3 | L150 T151 S177 G178 | L150-D181 WeakPolarHBondContact O-CA 3.28Å; T151-D181 WeakPolarHBondContact CA-OD1 3.45Å; T151-D181 VanDerWaalsContact CB-OD1 3.27Å; T151-D181 WeakPolarHBondContact CB-OD1 3.37Å; T151-D181 WeakPolarHBondContact CG2-OD1 3.42Å; T151-D181 PolarHBondContact OG1-OD1 2.8Å; S177-D181 PolarHBondContact N-O 2.75Å; S177-D181 VanDerWaalsContact N-O 3.09Å; S177-D181 VanDerWaalsContact OG-CB 3.24Å; S177-D181 WeakPolarHBondContact OG-CB 3.49Å; S177-D181 PolarHBondContact OG-O 2.88Å; G178-D181 WeakPolarHBondContact O-CB 3.39Å; G178-D181 PolarHBondContact O-N 3.18Å |
| 182 | I | 94.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 123.9 | 176.3 | -61.3 | 173.7 | 0 | 0 | 0 | 107.8 | L150 F152 I157 K160 L161 L164 P174 V175 L184 | L150-I182 HydrophobicContact CB-CB 4.49Å; L150-I182 WeakPolarHBondContact CB-O 3.37Å; L150-I182 PolarHBondContact N-O 2.95Å; L150-I182 PolarHBondContact O-N 3.17Å; F152-I182 HydrophobicContact CD2-CD1 3.93Å; F152-I182 HydrophobicContact CD2-CG1 4.45Å; F152-I182 HydrophobicContact CE2-CD1 3.94Å; I157-I182 HydrophobicContact CG2-CD1 4.35Å; I157-I182 HydrophobicContact CG2-CG1 4.47Å; K160-I182 HydrophobicContact CB-CD1 4.01Å; L161-I182 HydrophobicContact CD2-CB 4.46Å; L161-I182 HydrophobicContact CD2-CD1 3.81Å; L161-I182 HydrophobicContact CD2-CG1 3.91Å; L161-I182 HydrophobicContact CD2-CG2 3.73Å; L161-I182 HydrophobicContact CG-CD1 3.93Å; L161-I182 HydrophobicContact CG-CG1 4.38Å; L164-I182 HydrophobicContact CD1-CD1 3.97Å; L164-I182 HydrophobicContact CD1-CG2 3.84Å; P174-I182 HydrophobicContact CB-CG2 3.89Å; V175-I182 CarbonylContact O-C 3.52Å; V175-I182 WeakPolarHBondContact O-CA 3.39Å; I182-L184 HydrophobicContact CG2-CD2 4.27Å |
| 183 | D | 96.2 | Very high | 92.8 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 134.9 | 169.9 | -82.9 | -24.4 | 0 | 0 | 0 | 109.8 | N64 K147 F148 A149 P174 V175 I185 | N64-D183 PolarHBondContact ND2-OD2 2.62Å; K147-D183 HydrophobicContact CD-CB 3.96Å; K147-D183 VanDerWaalsContact CE-OD1 3.24Å; K147-D183 WeakPolarHBondContact CE-OD1 3.34Å; K147-D183 HydrophobicContact CG-CB 4.41Å; K147-D183 IonicContact NZ-OD1 3.22Å; K147-D183 PolarHBondContact NZ-OD1 2.64Å; K147-D183 IonicContact NZ-OD2 2.79Å; K147-D183 PolarHBondContact NZ-OD2 3Å; F148-D183 CarbonylContact O-C 3.58Å; F148-D183 WeakPolarHBondContact O-CA 3.24Å; A149-D183 VanDerWaalsContact CB-OD1 3.32Å; A149-D183 WeakPolarHBondContact CB-OD1 3.04Å; P174-D183 CarbonylContact C-O 3.28Å; P174-D183 WeakPolarHBondContact CA-O 3.44Å; V175-D183 HydrophobicContact CG2-CB 3.9Å; V175-D183 PolarHBondContact N-O 2.91Å; V175-D183 PolarHBondContact O-N 3.35Å; D183-I185 HydrophobicContact CB-CG2 4.17Å |
| 184 | L | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 107.2 | 167.3 | -54.6 | -176.9 | 0 | 0 | 0 | 108.4 | T88 I92 K147 F148 L150 L164 L168 M172 I173 P174 I182 | T88-L184 HydrophobicContact CG2-CD1 4.1Å; I92-L184 HydrophobicContact CD1-CD1 3.47Å; I92-L184 VanDerWaalsContact CD1-CD1 3.47Å; I92-L184 HydrophobicContact CG1-CD1 3.73Å; K147-L184 WeakPolarHBondContact CA-O 3.12Å; K147-L184 WeakPolarHBondContact CG-O 3.49Å; F148-L184 HydrophobicContact CB-CB 4.14Å; F148-L184 HydrophobicContact CB-CD1 4.17Å; F148-L184 HydrophobicContact CB-CG 4.35Å; F148-L184 HydrophobicContact CD2-CB 4.28Å; F148-L184 HydrophobicContact CD2-CD1 4.46Å; F148-L184 PolarHBondContact N-O 3.17Å; F148-L184 VanDerWaalsContact N-O 3.17Å; F148-L184 PolarHBondContact O-N 3.34Å; L150-L184 HydrophobicContact CD1-CD1 3.93Å; L150-L184 HydrophobicContact CD1-CD2 4.24Å; L150-L184 HydrophobicContact CD1-CG 3.98Å; L150-L184 HydrophobicContact CG-CG 4.41Å; L164-L184 HydrophobicContact CD1-CD2 4.15Å; L164-L184 HydrophobicContact CD2-CD1 4.43Å; L164-L184 HydrophobicContact CD2-CD2 4.15Å; L168-L184 HydrophobicContact CD1-CD1 3.57Å; L168-L184 HydrophobicContact CD1-CD2 3.71Å; L168-L184 HydrophobicContact CD1-CG 4.21Å; M172-L184 HydrophobicContact CB-CB 4.42Å; M172-L184 VanDerWaalsContact CE-C 3.47Å; M172-L184 HydrophobicContact CE-CB 3.91Å; M172-L184 WeakPolarHBondContact CE-O 3.47Å; I173-L184 WeakPolarHBondContact O-CA 3.3Å; P174-L184 HydrophobicContact CB-CD2 3.61Å; I182-L184 HydrophobicContact CG2-CD2 4.27Å |
| 185 | I | 97.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 24 Ų | 24 | 4% | 0.036 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 156.1 | -175.8 | 63.8 | 173.6 | 0 | 0 | 0 | 111.3 | N64 K147 I173 V175 D183 I189 H190 | N64-I185 HydrophobicContact CB-CG2 3.8Å; K147-I185 HydrophobicContact CD-CG2 4.18Å; K147-I185 HydrophobicContact CG-CG2 4.13Å; I173-I185 HydrophobicContact CB-CG1 3.96Å; I173-I185 PolarHBondContact N-O 3.12Å; I173-I185 VanDerWaalsContact O-CG1 3.32Å; I173-I185 WeakPolarHBondContact O-CG1 3.46Å; I173-I185 PolarHBondContact O-N 3.27Å; V175-I185 HydrophobicContact CG1-CD1 3.75Å; V175-I185 HydrophobicContact CG1-CG1 4.28Å; V175-I185 HydrophobicContact CG2-CD1 4.11Å; V175-I185 HydrophobicContact CG2-CG1 4.36Å; V175-I185 HydrophobicContact CG2-CG2 3.99Å; D183-I185 HydrophobicContact CB-CG2 4.17Å; I185-I189 WeakPolarHBondContact CD1-O 3.33Å; I185-H190 HydrophobicContact CD1-CB 3.92Å |
| 186 | I | 97.6 | Very high | 93.4 | Very high | 25 Ų | 25 | 24.2 Ų | 24.2 | 13% | 0.128 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 134.9 | 173.5 | -46.8 | -172.4 | 0 | 0 | 0 | 108.6 | A78 L80 F146 G188 I189 | A78-I186 HydrophobicContact CB-CD1 3.78Å; L80-I186 HydrophobicContact CD1-CG1 4.41Å; L80-I186 HydrophobicContact CD2-CB 4.4Å; L80-I186 HydrophobicContact CD2-CD1 3.85Å; L80-I186 HydrophobicContact CD2-CG1 3.72Å; L80-I186 HydrophobicContact CD2-CG2 4.17Å; L80-I186 HydrophobicContact CG-CD1 3.75Å; L80-I186 HydrophobicContact CG-CG1 3.88Å; F146-I186 HydrophobicContact CB-CD1 4.09Å; F146-I186 WeakPolarHBondContact O-CG1 3.37Å; I186-G188 PolarHBondContact O-N 3.35Å; I186-I189 HydrophobicContact CB-CB 3.98Å; I186-I189 HydrophobicContact CB-CG1 3.8Å; I186-I189 HydrophobicContact CG2-CG1 4.01Å; I186-I189 WeakPolarHBondContact O-CB 3.43Å; I186-I189 PolarHBondContact O-N 2.9Å |
| 187 | P | 96.1 | Very high | 93.7 | Very high | 56 Ų | 56 | 26.7 Ų | 26.7 | 36% | 0.364 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 128.6 | 175.6 | -26 | 30.9 | 0 | 0 | 0 | 112.7 | D170 Q171 I173 I189 | D170-P187 WeakPolarHBondContact O-CG 3.49Å; Q171-P187 VanDerWaalsContact O-CD 3.26Å; Q171-P187 WeakPolarHBondContact O-CD 3.15Å; I173-P187 HydrophobicContact CD1-CG 4.37Å; I173-P187 HydrophobicContact CG1-CB 4.18Å; I173-P187 HydrophobicContact CG1-CG 4.1Å; P187-I189 PolarHBondContact O-N 2.97Å |
| 188 | G | 96.1 | Very high | 94.4 | Very high | 44 Ų | 44 | 25.2 Ų | 25.2 | 45% | 0.454 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 0 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | I186 N193 | I186-G188 PolarHBondContact O-N 3.35Å; G188-N193 VanDerWaalsContact O-CB 3.26Å; G188-N193 WeakPolarHBondContact O-CB 3.4Å; G188-N193 PolarHBondContact O-ND2 2.86Å |
| 189 | I | 97.8 | Very high | 95.3 | Very high | 19 Ų | 19 | 24.8 Ų | 24.8 | 10% | 0.097 | 14% | 0.141 | C | C | . | . | trans | -109.6 | 91.8 | 175.8 | -50.7 | -58.7 | 0 | 0 | 0 | 108.9 | N64 A66 Y76 A78 I185 I186 P187 | N64-I189 CarbonylContact O-C 3.55Å; A66-I189 HydrophobicContact CB-CG2 4.07Å; Y76-I189 WeakPolarHBondContact OH-CD1 3.32Å; A78-I189 HydrophobicContact CB-CG1 4.43Å; A78-I189 HydrophobicContact CB-CG2 4.19Å; I185-I189 WeakPolarHBondContact CD1-O 3.33Å; I186-I189 HydrophobicContact CB-CB 3.98Å; I186-I189 HydrophobicContact CB-CG1 3.8Å; I186-I189 HydrophobicContact CG2-CG1 4.01Å; I186-I189 WeakPolarHBondContact O-CB 3.43Å; I186-I189 PolarHBondContact O-N 2.9Å; P187-I189 PolarHBondContact O-N 2.97Å | ||
| 190 | H | 98.1 | Very high | 96.4 | Very high | 43 Ų | 43 | 24.2 Ų | 24.2 | 20% | 0.199 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -135.2 | 175.2 | 178 | 53.3 | 96.9 | 0 | 0 | 0 | 109.8 | N64 I185 A192 N193 G194 E220 | N64-H190 CarbonylContact O-C 3.55Å; N64-H190 WeakPolarHBondContact O-CA 3.37Å; N64-H190 PolarHBondContact O-N 3.39Å; I185-H190 HydrophobicContact CD1-CB 3.92Å; H190-A192 VanDerWaalsContact C-N 3.3Å; H190-A192 WeakPolarHBondContact ND1-CB 3.3Å; H190-A192 PolarHBondContact ND1-N 3.45Å; H190-A192 PolarHBondContact O-N 3.48Å; H190-N193 WeakPolarHBondContact O-CB 3.36Å; H190-N193 PolarHBondContact O-N 3.25Å; H190-G194 PolarHBondContact O-N 3.31Å; H190-G194 VanDerWaalsContact O-N 3.1Å; H190-E220 WeakPolarHBondContact ND1-CB 3.49Å |
| 191 | K | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -52.3 | -46.1 | -177.6 | -67.3 | -176.1 | -174 | 175.9 | 0 | 112.5 | D5 A39 N64 N193 G194 L195 N217 D218 M221 | D5-K191 VanDerWaalsContact CG-NZ 3.35Å; D5-K191 IonicContact OD1-NZ 2.87Å; D5-K191 PolarHBondContact OD1-NZ 2.87Å; A39-K191 HydrophobicContact CB-CB 4.48Å; A39-K191 HydrophobicContact CB-CD 4.3Å; A39-K191 HydrophobicContact CB-CG 4.47Å; A39-K191 WeakPolarHBondContact O-CD 3.06Å; A39-K191 WeakPolarHBondContact O-CE 3.48Å; A39-K191 PolarHBondContact O-NZ 2.88Å; N64-K191 PolarHBondContact O-N 2.86Å; K191-N193 PolarHBondContact O-N 3.38Å; K191-G194 PolarHBondContact O-N 2.91Å; K191-G194 VanDerWaalsContact O-N 3.15Å; K191-L195 PolarHBondContact O-N 2.89Å; K191-N217 WeakPolarHBondContact CD-O 3.41Å; K191-N217 WeakPolarHBondContact CE-ND2 3.5Å; K191-N217 PolarHBondContact NZ-ND2 3.28Å; K191-N217 PolarHBondContact NZ-OD1 2.9Å; K191-D218 WeakPolarHBondContact CD-OD1 3.28Å; K191-D218 IonicContact NZ-OD1 2.66Å; K191-D218 PolarHBondContact NZ-OD1 3.44Å; K191-M221 HydrophobicContact CB-CB 4.04Å; K191-M221 HydrophobicContact CB-SD 4.29Å; K191-M221 HydrophobicContact CD-CE 4.33Å; K191-M221 HydrophobicContact CD-SD 4.42Å |
| 192 | A | 98.5 | Very high | 97.6 | Very high | 5 Ų | 5 | 30.3 Ų | 30.3 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.4 | -38.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | H190 G194 L195 A196 E220 M221 Y224 | H190-A192 VanDerWaalsContact C-N 3.3Å; H190-A192 WeakPolarHBondContact ND1-CB 3.3Å; H190-A192 PolarHBondContact ND1-N 3.45Å; H190-A192 PolarHBondContact O-N 3.48Å; A192-G194 VanDerWaalsContact C-N 3.32Å; A192-G194 PolarHBondContact O-N 2.97Å; A192-L195 PolarHBondContact O-N 3.19Å; A192-A196 WeakPolarHBondContact O-CB 3.38Å; A192-A196 PolarHBondContact O-N 2.93Å; A192-E220 HydrophobicContact CB-CB 3.76Å; A192-E220 WeakPolarHBondContact CB-O 3.45Å; A192-M221 HydrophobicContact CB-CB 4.42Å; A192-Y224 HydrophobicContact CB-CG 4.42Å |
| 193 | N | 98.4 | Very high | 97.8 | Very high | 45 Ų | 45 | 33.5 Ų | 33.5 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.1 | -43.7 | 173.7 | -176.2 | -90.9 | 0 | 0 | 0 | 111.2 | G188 H190 K191 A196 K197 | G188-N193 VanDerWaalsContact O-CB 3.26Å; G188-N193 WeakPolarHBondContact O-CB 3.4Å; G188-N193 PolarHBondContact O-ND2 2.86Å; H190-N193 WeakPolarHBondContact O-CB 3.36Å; H190-N193 PolarHBondContact O-N 3.25Å; K191-N193 PolarHBondContact O-N 3.38Å; N193-A196 PolarHBondContact O-N 3.37Å; N193-K197 WeakPolarHBondContact O-CG 3.46Å; N193-K197 PolarHBondContact O-N 3.19Å; N193-K197 WeakPolarHBondContact OD1-CE 3.39Å |
| 194 | G | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H190 K191 A192 A196 K197 L198 | H190-G194 PolarHBondContact O-N 3.31Å; H190-G194 VanDerWaalsContact O-N 3.1Å; K191-G194 PolarHBondContact O-N 2.91Å; K191-G194 VanDerWaalsContact O-N 3.15Å; A192-G194 VanDerWaalsContact C-N 3.32Å; A192-G194 PolarHBondContact O-N 2.97Å; G194-A196 VanDerWaalsContact C-N 3.33Å; G194-A196 PolarHBondContact O-N 3.4Å; G194-K197 WeakPolarHBondContact O-CB 3.46Å; G194-K197 PolarHBondContact O-N 3.12Å; G194-L198 PolarHBondContact O-N 2.87Å |
| 195 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62 | -40.2 | 173.3 | -68.3 | -169.7 | 0 | 0 | 0 | 112.4 | M1 A3 V37 A39 V61 K191 A192 K197 L198 S199 M221 Y224 | M1-L195 HydrophobicContact SD-CD2 4.2Å; A3-L195 HydrophobicContact CB-CD1 3.59Å; A3-L195 HydrophobicContact CB-CD2 3.7Å; A3-L195 HydrophobicContact CB-CG 4.31Å; V37-L195 HydrophobicContact CB-CD2 4.24Å; V37-L195 HydrophobicContact CG1-CD2 3.73Å; A39-L195 HydrophobicContact CB-CD2 4.49Å; V61-L195 HydrophobicContact CG2-CD2 4.15Å; K191-L195 PolarHBondContact O-N 2.89Å; A192-L195 PolarHBondContact O-N 3.19Å; L195-K197 VanDerWaalsContact C-N 3.3Å; L195-K197 PolarHBondContact O-N 3.25Å; L195-L198 PolarHBondContact O-N 2.91Å; L195-S199 WeakPolarHBondContact O-CB 3.49Å; L195-S199 PolarHBondContact O-N 2.8Å; L195-S199 PolarHBondContact O-OG 2.77Å; L195-M221 HydrophobicContact CD1-CB 4.49Å; L195-M221 HydrophobicContact CD1-CG 3.55Å; L195-M221 HydrophobicContact CD1-SD 3.74Å; L195-Y224 HydrophobicContact CB-CD1 4.34Å; L195-Y224 HydrophobicContact CB-CE1 4.23Å |
| 196 | A | 98.7 | Very high | 98 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 17% | 0.165 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.3 | -36.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | A192 N193 G194 S199 N200 Y224 | A192-A196 WeakPolarHBondContact O-CB 3.38Å; A192-A196 PolarHBondContact O-N 2.93Å; N193-A196 PolarHBondContact O-N 3.37Å; G194-A196 VanDerWaalsContact C-N 3.33Å; G194-A196 PolarHBondContact O-N 3.4Å; A196-S199 WeakPolarHBondContact CA-OG 3.35Å; A196-S199 PolarHBondContact O-OG 2.85Å; A196-N200 VanDerWaalsContact O-CB 3.23Å; A196-N200 WeakPolarHBondContact O-CB 3.31Å; A196-N200 PolarHBondContact O-N 3.21Å; A196-N200 PolarHBondContact O-ND2 3.11Å; A196-Y224 WeakPolarHBondContact CA-OH 3.39Å; A196-Y224 HydrophobicContact CB-CE1 4.25Å; A196-Y224 HydrophobicContact CB-CE2 4.16Å |
| 197 | K | 98.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 27% | 0.265 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60 | -49.4 | 172.3 | -68.5 | 179.2 | -171.9 | -53.2 | 0 | 111.3 | I68 Y75 Y76 N193 G194 L195 E201 | I68-K197 HydrophobicContact CD1-CB 4.43Å; I68-K197 HydrophobicContact CD1-CD 3.84Å; Y75-K197 HydrophobicContact CE1-CB 4.15Å; Y76-K197 HydrophobicContact CD1-CD 4.2Å; Y76-K197 HydrophobicContact CD2-CD 4.37Å; Y76-K197 HydrophobicContact CG-CD 4.13Å; N193-K197 WeakPolarHBondContact O-CG 3.46Å; N193-K197 PolarHBondContact O-N 3.19Å; N193-K197 WeakPolarHBondContact OD1-CE 3.39Å; G194-K197 WeakPolarHBondContact O-CB 3.46Å; G194-K197 PolarHBondContact O-N 3.12Å; L195-K197 VanDerWaalsContact C-N 3.3Å; L195-K197 PolarHBondContact O-N 3.25Å; K197-E201 PolarHBondContact O-N 2.91Å |
| 198 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.3 | -43.6 | -179.5 | -65.6 | -176.5 | 0 | 0 | 0 | 112.6 | M1 V37 V61 I68 V70 Y75 G194 L195 N200 E201 W202 | M1-L198 HydrophobicContact CE-CB 4.31Å; V37-L198 HydrophobicContact CG1-CD1 3.89Å; V37-L198 HydrophobicContact CG2-CD1 4.18Å; V61-L198 HydrophobicContact CG2-CD1 3.59Å; V61-L198 HydrophobicContact CG2-CG 4.44Å; I68-L198 HydrophobicContact CG2-CD1 4.18Å; I68-L198 HydrophobicContact CG2-CD2 3.74Å; I68-L198 HydrophobicContact CG2-CG 4.14Å; V70-L198 HydrophobicContact CG2-CD2 3.35Å; Y75-L198 HydrophobicContact CD1-CD2 4.24Å; Y75-L198 HydrophobicContact CE1-CD2 4.36Å; G194-L198 PolarHBondContact O-N 2.87Å; L195-L198 PolarHBondContact O-N 2.91Å; L198-N200 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 3.17Å; L198-E201 WeakPolarHBondContact O-CB 3.1Å; L198-E201 PolarHBondContact O-N 2.86Å; L198-W202 HydrophobicContact CB-CE3 4.07Å; L198-W202 HydrophobicContact CB-CH2 3.91Å; L198-W202 HydrophobicContact CB-CZ2 4.41Å; L198-W202 HydrophobicContact CB-CZ3 3.72Å; L198-W202 HydrophobicContact CD1-CH2 3.88Å; L198-W202 HydrophobicContact CD1-CZ3 4.25Å; L198-W202 HydrophobicContact CD2-CH2 4.08Å; L198-W202 HydrophobicContact CD2-CZ2 4.05Å; L198-W202 HydrophobicContact CG-CH2 4.18Å; L198-W202 HydrophobicContact CG-CZ3 4.45Å; L198-W202 VanDerWaalsContact O-CD2 3.29Å; L198-W202 PolarHBondContact O-N 2.82Å |
| 199 | S | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -38.4 | -179.5 | 73.4 | 0 | 0 | 0 | 0 | 111.4 | L195 A196 W202 G203 I204 Y224 | L195-S199 WeakPolarHBondContact O-CB 3.49Å; L195-S199 PolarHBondContact O-N 2.8Å; L195-S199 PolarHBondContact O-OG 2.77Å; A196-S199 WeakPolarHBondContact CA-OG 3.35Å; A196-S199 PolarHBondContact O-OG 2.85Å; S199-W202 PolarHBondContact O-N 2.69Å; S199-G203 PolarHBondContact O-N 3.09Å; S199-I204 WeakPolarHBondContact CB-O 3.47Å; S199-I204 PolarHBondContact O-N 2.91Å; S199-Y224 PolarHBondContact OG-OH 2.91Å |
| 200 | N | 98 | Very high | 98.3 | Very high | 125 Ų | 125 | 42.6 Ų | 42.6 | 67% | 0.668 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -65.6 | -42.2 | 174.2 | -72 | -25.5 | 0 | 0 | 0 | 112.2 | A196 L198 W202 G203 | A196-N200 VanDerWaalsContact O-CB 3.23Å; A196-N200 WeakPolarHBondContact O-CB 3.31Å; A196-N200 PolarHBondContact O-N 3.21Å; A196-N200 PolarHBondContact O-ND2 3.11Å; L198-N200 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 3.17Å; N200-W202 VanDerWaalsContact C-N 3.3Å; N200-W202 PolarHBondContact O-N 3.07Å; N200-G203 PolarHBondContact O-N 3.33Å |
| 201 | E | 97.2 | Very high | 98.4 | Very high | 118 Ų | 118 | 40.6 Ų | 40.6 | 55% | 0.551 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -58.9 | -42.1 | 175.7 | -174.9 | 68.1 | -149.5 | 0 | 0 | 111.7 | Y75 K197 L198 | Y75-E201 HydrophobicContact CE2-CG 4.12Å; Y75-E201 PolarHBondContact OH-OE2 2.93Å; K197-E201 PolarHBondContact O-N 2.91Å; L198-E201 WeakPolarHBondContact O-CB 3.1Å; L198-E201 PolarHBondContact O-N 2.86Å |
| 202 | W | 97.9 | Very high | 98.4 | Very high | 64 Ų | 64 | 40.5 Ų | 40.5 | 24% | 0.242 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -91.6 | 0.1 | -176.9 | -57.3 | -32.5 | 0 | 0 | 0 | 114.2 | M1 K35 V37 S59 V70 L198 S199 N200 I204 | M1-W202 HydrophobicContact CE-CE3 3.36Å; M1-W202 HydrophobicContact CE-CZ3 3.36Å; M1-W202 HydrophobicContact SD-CZ3 4.28Å; K35-W202 HydrophobicContact CB-CE3 4.03Å; K35-W202 HydrophobicContact CB-CH2 4.18Å; K35-W202 HydrophobicContact CB-CZ3 3.66Å; K35-W202 HydrophobicContact CG-CD2 4.07Å; K35-W202 HydrophobicContact CG-CE3 3.72Å; K35-W202 HydrophobicContact CG-CH2 4.25Å; K35-W202 HydrophobicContact CG-CZ3 3.81Å; V37-W202 HydrophobicContact CG2-CH2 4.13Å; V37-W202 HydrophobicContact CG2-CZ3 3.98Å; S59-W202 WeakPolarHBondContact OG-CH2 3.26Å; V70-W202 HydrophobicContact CG1-CZ2 3.87Å; V70-W202 HydrophobicContact CG2-CZ2 4.2Å; L198-W202 HydrophobicContact CB-CE3 4.07Å; L198-W202 HydrophobicContact CB-CH2 3.91Å; L198-W202 HydrophobicContact CB-CZ2 4.41Å; L198-W202 HydrophobicContact CB-CZ3 3.72Å; L198-W202 HydrophobicContact CD1-CH2 3.88Å; L198-W202 HydrophobicContact CD1-CZ3 4.25Å; L198-W202 HydrophobicContact CD2-CH2 4.08Å; L198-W202 HydrophobicContact CD2-CZ2 4.05Å; L198-W202 HydrophobicContact CG-CH2 4.18Å; L198-W202 HydrophobicContact CG-CZ3 4.45Å; L198-W202 VanDerWaalsContact O-CD2 3.29Å; L198-W202 PolarHBondContact O-N 2.82Å; S199-W202 PolarHBondContact O-N 2.69Å; N200-W202 VanDerWaalsContact C-N 3.3Å; N200-W202 PolarHBondContact O-N 3.07Å; W202-I204 VanDerWaalsContact C-N 3.27Å; W202-I204 HydrophobicContact CB-CD1 3.9Å; W202-I204 HydrophobicContact CB-CG1 3.92Å; W202-I204 HydrophobicContact CE3-CD1 4.04Å; W202-I204 PolarHBondContact O-N 2.66Å |
| 203 | G | 98.1 | Very high | 98.4 | Very high | 66 Ų | 66 | 40.3 Ų | 40.3 | 68% | 0.68 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 29.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S199 N200 | S199-G203 PolarHBondContact O-N 3.09Å; N200-G203 PolarHBondContact O-N 3.33Å |
| 204 | I | 98.5 | Very high | 98.3 | Very high | 30 Ų | 30 | 38.7 Ų | 38.7 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | trans | -92.7 | 122.6 | 179.7 | -61.4 | 177.7 | 0 | 0 | 0 | 108.6 | M1 K35 S199 W202 E208 I209 | M1-I204 HydrophobicContact CB-CD1 4.1Å; M1-I204 HydrophobicContact CB-CG2 4.27Å; M1-I204 HydrophobicContact CE-CD1 4.04Å; K35-I204 HydrophobicContact CG-CD1 4.37Å; S199-I204 WeakPolarHBondContact CB-O 3.47Å; S199-I204 PolarHBondContact O-N 2.91Å; W202-I204 VanDerWaalsContact C-N 3.27Å; W202-I204 HydrophobicContact CB-CD1 3.9Å; W202-I204 HydrophobicContact CB-CG1 3.92Å; W202-I204 HydrophobicContact CE3-CD1 4.04Å; W202-I204 PolarHBondContact O-N 2.66Å; I204-E208 HydrophobicContact CG2-CB 3.86Å; I204-I209 HydrophobicContact CG2-CG1 3.95Å | ||
| 205 | A | 98.4 | Very high | 98.1 | Very high | 36 Ų | 36 | 39.1 Ų | 39.1 | 30% | 0.298 | 23% | 0.225 | S | C | . | . | trans | -72 | 151.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | T207 E208 | A205-T207 PolarHBondContact O-N 2.96Å; A205-T207 VanDerWaalsContact O-N 3.1Å; A205-E208 HydrophobicContact CB-CG 4.36Å; A205-E208 WeakPolarHBondContact CB-OE2 3.32Å; A205-E208 PolarHBondContact N-OE2 3.07Å; A205-E208 WeakPolarHBondContact O-CA 3.14Å; A205-E208 WeakPolarHBondContact O-CB 3.28Å; A205-E208 PolarHBondContact O-N 2.9Å | ||
| 206 | P | 98.5 | Very high | 97.8 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 34% | 0.344 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -54.1 | -33.4 | 175.6 | -25.7 | 33.6 | 0 | 0 | 0 | 113.3 | E208 I209 Y224 G226 | P206-E208 PolarHBondContact O-N 3.09Å; P206-E208 VanDerWaalsContact O-N 3.14Å; P206-I209 WeakPolarHBondContact O-CB 3.22Å; P206-I209 PolarHBondContact O-N 3.28Å; P206-I209 VanDerWaalsContact O-N 3.08Å; P206-Y224 HydrophobicContact CB-CE2 4.32Å; P206-Y224 WeakPolarHBondContact CB-O 3.1Å; P206-Y224 HydrophobicContact CG-CE2 3.9Å; P206-G226 WeakPolarHBondContact O-CA 3.07Å; P206-G226 PolarHBondContact O-N 2.88Å |
| 207 | T | 98.2 | Very high | 97.7 | Very high | 108 Ų | 108 | 39.1 Ų | 39.1 | 66% | 0.663 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -61.9 | -16.7 | 175 | 50 | 0 | 0 | 0 | 0 | 114.7 | A205 | A205-T207 PolarHBondContact O-N 2.96Å; A205-T207 VanDerWaalsContact O-N 3.1Å |
| 208 | E | 98.1 | Very high | 97.6 | Very high | 116 Ų | 116 | 36.2 Ų | 36.2 | 54% | 0.542 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -105 | 12.9 | 179.9 | -57.8 | 174.4 | 112.4 | 0 | 0 | 111.9 | M1 I204 A205 P206 | M1-E208 PolarHBondContact N-O 3.32Å; I204-E208 HydrophobicContact CG2-CB 3.86Å; A205-E208 HydrophobicContact CB-CG 4.36Å; A205-E208 WeakPolarHBondContact CB-OE2 3.32Å; A205-E208 PolarHBondContact N-OE2 3.07Å; A205-E208 WeakPolarHBondContact O-CA 3.14Å; A205-E208 WeakPolarHBondContact O-CB 3.28Å; A205-E208 PolarHBondContact O-N 2.9Å; P206-E208 PolarHBondContact O-N 3.09Å; P206-E208 VanDerWaalsContact O-N 3.14Å |
| 209 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -107.4 | 127.5 | 177 | -52 | -179.6 | 0 | 0 | 0 | 108.5 | M1 I204 P206 Y224 A225 G226 L227 | M1-I209 HydrophobicContact CB-CG1 4.22Å; M1-I209 HydrophobicContact CB-CG2 4.39Å; M1-I209 WeakPolarHBondContact O-CA 3.46Å; M1-I209 HydrophobicContact SD-CD1 4.41Å; M1-I209 HydrophobicContact SD-CG2 4.29Å; I204-I209 HydrophobicContact CG2-CG1 3.95Å; P206-I209 WeakPolarHBondContact O-CB 3.22Å; P206-I209 PolarHBondContact O-N 3.28Å; P206-I209 VanDerWaalsContact O-N 3.08Å; I209-Y224 HydrophobicContact CD1-CD1 4.36Å; I209-Y224 HydrophobicContact CD1-CE1 3.7Å; I209-A225 HydrophobicContact CB-CB 4.15Å; I209-A225 HydrophobicContact CG2-CB 3.93Å; I209-G226 PolarHBondContact O-N 3.17Å; I209-L227 PolarHBondContact O-N 3.4Å | ||
| 210 | A | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.033 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 126.4 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | M1 I2 A3 F212 L227 Y229 L261 | M1-A210 PolarHBondContact O-N 2.86Å; I2-A210 CarbonylContact C-O 3.44Å; I2-A210 WeakPolarHBondContact CA-O 3.24Å; I2-A210 HydrophobicContact CG1-CB 4.06Å; A3-A210 PolarHBondContact N-O 3.21Å; A210-F212 HydrophobicContact CB-CE2 4.1Å; A210-L227 CarbonylContact C-O 3.48Å; A210-L227 WeakPolarHBondContact CA-O 3.23Å; A210-L227 HydrophobicContact CB-CB 4.14Å; A210-Y229 HydrophobicContact CB-CE2 4.2Å; A210-L261 HydrophobicContact CB-CD1 3.68Å |
| 211 | A | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A3 M221 L222 A225 L227 S228 Y229 | A3-A211 CarbonylContact O-C 3.5Å; A3-A211 VanDerWaalsContact O-CA 3.26Å; A3-A211 WeakPolarHBondContact O-CA 3.45Å; A211-M221 HydrophobicContact CB-CG 3.79Å; A211-M221 HydrophobicContact CB-SD 4.44Å; A211-L222 HydrophobicContact CB-CD2 4.28Å; A211-A225 HydrophobicContact CB-CB 3.43Å; A211-A225 VanDerWaalsContact CB-CB 3.43Å; A211-L227 PolarHBondContact N-O 3.16Å; A211-S228 WeakPolarHBondContact O-CA 3.27Å; A211-Y229 PolarHBondContact O-N 3.24Å |
| 212 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 134.9 | -178.8 | -58.6 | -98.3 | 0 | 0 | 0 | 109.9 | I2 A3 V4 D5 T9 A210 M221 Y229 I246 V254 M257 M258 L261 | I2-F212 HydrophobicContact CG2-CD2 4.23Å; I2-F212 HydrophobicContact CG2-CE2 3.81Å; A3-F212 WeakPolarHBondContact O-CD2 3.49Å; A3-F212 PolarHBondContact O-N 2.98Å; V4-F212 HydrophobicContact CB-CB 4.44Å; V4-F212 HydrophobicContact CG1-CB 4.18Å; V4-F212 HydrophobicContact CG1-CD2 3.71Å; V4-F212 HydrophobicContact CG1-CE2 4.48Å; V4-F212 HydrophobicContact CG1-CG 4.17Å; D5-F212 PolarHBondContact N-O 3.41Å; T9-F212 HydrophobicContact CG2-CB 3.81Å; A210-F212 HydrophobicContact CB-CE2 4.1Å; F212-M221 VanDerWaalsContact O-CE 3.24Å; F212-M221 WeakPolarHBondContact O-CE 3.43Å; F212-Y229 WeakPolarHBondContact CA-O 3.37Å; F212-Y229 AromaticContact CD1-CD2 3.91Å; F212-Y229 HydrophobicContact CD1-CD2 3.91Å; F212-Y229 HydrophobicContact CD1-CG 4.12Å; F212-Y229 AromaticContact CE1-CD2 3.4Å; F212-Y229 HydrophobicContact CE1-CD2 3.4Å; F212-Y229 VanDerWaalsContact CE1-CD2 3.4Å; F212-Y229 HydrophobicContact CE1-CE2 4.18Å; F212-Y229 AromaticContact CE1-CG 3.78Å; F212-Y229 HydrophobicContact CE1-CG 3.78Å; F212-Y229 HydrophobicContact CE2-CD2 4.12Å; F212-Y229 HydrophobicContact CG-CD2 4.46Å; F212-Y229 AromaticContact CZ-CD2 3.53Å; F212-Y229 HydrophobicContact CZ-CD2 3.53Å; F212-Y229 AromaticContact CZ-CE2 3.93Å; F212-Y229 HydrophobicContact CZ-CE2 3.93Å; F212-Y229 HydrophobicContact CZ-CG 4.35Å; F212-I246 HydrophobicContact CD1-CD1 3.74Å; F212-I246 HydrophobicContact CE1-CD1 3.85Å; F212-V254 HydrophobicContact CB-CG1 4.42Å; F212-V254 HydrophobicContact CB-CG2 4.19Å; F212-V254 HydrophobicContact CD1-CB 4.29Å; F212-V254 HydrophobicContact CD1-CG1 3.92Å; F212-V254 HydrophobicContact CD1-CG2 3.99Å; F212-V254 HydrophobicContact CD2-CG1 4.3Å; F212-V254 HydrophobicContact CE1-CG1 4.23Å; F212-V254 HydrophobicContact CG-CG1 3.96Å; F212-V254 HydrophobicContact CG-CG2 4.3Å; F212-M257 HydrophobicContact CE1-CB 3.75Å; F212-M257 HydrophobicContact CE1-CG 3.6Å; F212-M257 HydrophobicContact CZ-CB 4.18Å; F212-M257 HydrophobicContact CZ-CG 3.81Å; F212-M258 HydrophobicContact CZ-CG 4.35Å; F212-L261 HydrophobicContact CZ-CD1 4.07Å |
| 213 | G | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167.3 | 168.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | T9 D218 Y229 A230 M231 | T9-G213 WeakPolarHBondContact OG1-CA 3.39Å; G213-D218 WeakPolarHBondContact CA-OD2 3.26Å; G213-Y229 PolarHBondContact N-O 3.39Å; G213-A230 WeakPolarHBondContact O-CA 3.44Å; G213-M231 PolarHBondContact O-N 2.81Å; G213-M231 VanDerWaalsContact O-N 3.1Å |
| 214 | D | 96.8 | Very high | 97.7 | Very high | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.064 | 17% | 0.172 | C | C | . | . | trans | -136.7 | -14.2 | -178.6 | 86.9 | -44.6 | 0 | 0 | 0 | 114.2 | T9 D218 M231 N233 A234 | T9-D214 PolarHBondContact OG1-N 3.09Å; D214-D218 PolarHBondContact N-OD2 3.28Å; D214-M231 HydrophobicContact CB-CB 4.04Å; D214-M231 HydrophobicContact CB-CG 4Å; D214-N233 PolarHBondContact OD2-ND2 2.91Å; D214-A234 HydrophobicContact CB-CB 4.02Å; D214-A234 WeakPolarHBondContact O-CA 3.39Å; D214-A234 WeakPolarHBondContact O-CB 3.41Å | ||
| 215 | S | 94.5 | Very high | 97.7 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 6% | 0.063 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -119 | 168.7 | -163.9 | -73.2 | 0 | 0 | 0 | 0 | 112.9 | N217 D218 V238 | S215-N217 VanDerWaalsContact C-N 3.28Å; S215-N217 WeakPolarHBondContact CB-OD1 3.47Å; S215-N217 PolarHBondContact O-N 3.33Å; S215-D218 PolarHBondContact N-OD2 3.08Å; S215-D218 WeakPolarHBondContact O-CB 3.38Å; S215-D218 PolarHBondContact O-N 3.44Å; S215-V238 WeakPolarHBondContact O-CG2 3.36Å |
| 216 | G | 92.6 | Very high | 97.7 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 11% | 0.113 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -60.2 | -36.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | S176 D218 I219 | S176-G216 WeakPolarHBondContact O-CA 3.49Å; S176-G216 PolarHBondContact O-N 3.43Å; G216-D218 PolarHBondContact O-N 3.35Å; G216-I219 WeakPolarHBondContact O-CG1 3.26Å; G216-I219 PolarHBondContact O-N 3.06Å |
| 217 | N | 95.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 31.3 Ų | 31.3 | 4% | 0.043 | 17% | 0.168 | C | C | . | . | G | 310 helix | trans | -73.6 | -1.3 | 176.2 | 66.7 | -16.4 | 0 | 0 | 0 | 114.6 | N64 V175 S176 K191 S215 | N64-N217 PolarHBondContact OD1-ND2 2.99Å; V175-N217 HydrophobicContact CB-CB 4.29Å; V175-N217 HydrophobicContact CG2-CB 4Å; S176-N217 PolarHBondContact O-N 3.01Å; K191-N217 WeakPolarHBondContact CD-O 3.41Å; K191-N217 WeakPolarHBondContact CE-ND2 3.5Å; K191-N217 PolarHBondContact NZ-ND2 3.28Å; K191-N217 PolarHBondContact NZ-OD1 2.9Å; S215-N217 VanDerWaalsContact C-N 3.28Å; S215-N217 WeakPolarHBondContact CB-OD1 3.47Å; S215-N217 PolarHBondContact O-N 3.33Å |
| 218 | D | 97.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -93.7 | -15.4 | 173.4 | -62.6 | -46.5 | 0 | 0 | 0 | 113.2 | D5 K191 G213 D214 S215 G216 E220 M221 L222 | D5-D218 WeakPolarHBondContact CB-OD1 3.21Å; K191-D218 WeakPolarHBondContact CD-OD1 3.28Å; K191-D218 IonicContact NZ-OD1 2.66Å; K191-D218 PolarHBondContact NZ-OD1 3.44Å; G213-D218 WeakPolarHBondContact CA-OD2 3.26Å; D214-D218 PolarHBondContact N-OD2 3.28Å; S215-D218 PolarHBondContact N-OD2 3.08Å; S215-D218 WeakPolarHBondContact O-CB 3.38Å; S215-D218 PolarHBondContact O-N 3.44Å; G216-D218 PolarHBondContact O-N 3.35Å; D218-E220 PolarHBondContact O-N 2.77Å; D218-M221 HydrophobicContact CB-CE 4.23Å; D218-M221 WeakPolarHBondContact O-CA 3.23Å; D218-M221 WeakPolarHBondContact O-CB 3.22Å; D218-M221 PolarHBondContact O-N 2.93Å; D218-M221 WeakPolarHBondContact OD1-CE 3.39Å; D218-L222 HydrophobicContact CB-CD1 4.02Å; D218-L222 HydrophobicContact CB-CG 4.29Å; D218-L222 WeakPolarHBondContact O-CG 3.45Å; D218-L222 PolarHBondContact O-N 2.85Å |
| 219 | I | 97.3 | Very high | 97.7 | Very high | 36 Ų | 36 | 21.3 Ų | 21.3 | 19% | 0.185 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -54.6 | -52.9 | -170.8 | -70.7 | 173.4 | 0 | 0 | 0 | 111 | G216 M221 L222 E223 K237 V238 A241 | G216-I219 WeakPolarHBondContact O-CG1 3.26Å; G216-I219 PolarHBondContact O-N 3.06Å; I219-M221 PolarHBondContact O-N 3.49Å; I219-L222 PolarHBondContact O-N 3.49Å; I219-E223 HydrophobicContact CG2-CG 4.44Å; I219-E223 WeakPolarHBondContact O-CG 3.4Å; I219-E223 PolarHBondContact O-N 3.5Å; I219-K237 HydrophobicContact CD1-CD 4.16Å; I219-K237 HydrophobicContact CD1-CG 4.17Å; I219-V238 HydrophobicContact CD1-CG2 4.33Å; I219-V238 HydrophobicContact CG1-CG2 4.1Å; I219-A241 HydrophobicContact CB-CB 4.45Å; I219-A241 HydrophobicContact CG1-CB 4.42Å; I219-A241 HydrophobicContact CG2-CB 3.96Å |
| 220 | E | 97.9 | Very high | 97.7 | Very high | 64 Ų | 64 | 21.3 Ų | 21.3 | 30% | 0.299 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -65.4 | -31.7 | -178.5 | -59.9 | 90.9 | 155.9 | 0 | 0 | 111.8 | H190 A192 D218 Y224 | H190-E220 WeakPolarHBondContact ND1-CB 3.49Å; A192-E220 HydrophobicContact CB-CB 3.76Å; A192-E220 WeakPolarHBondContact CB-O 3.45Å; D218-E220 PolarHBondContact O-N 2.77Å; E220-Y224 WeakPolarHBondContact O-CB 3.06Å; E220-Y224 PolarHBondContact O-N 3.01Å |
| 221 | M | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.7 | -42.6 | 176.6 | 167.2 | 173.7 | 79.9 | 0 | 0 | 111.1 | A3 D5 A39 K191 A192 L195 A211 F212 D218 I219 Y224 A225 | A3-M221 HydrophobicContact CB-SD 4.33Å; D5-M221 HydrophobicContact CB-CE 4.47Å; A39-M221 HydrophobicContact CB-SD 3.62Å; K191-M221 HydrophobicContact CB-CB 4.04Å; K191-M221 HydrophobicContact CB-SD 4.29Å; K191-M221 HydrophobicContact CD-CE 4.33Å; K191-M221 HydrophobicContact CD-SD 4.42Å; A192-M221 HydrophobicContact CB-CB 4.42Å; L195-M221 HydrophobicContact CD1-CB 4.49Å; L195-M221 HydrophobicContact CD1-CG 3.55Å; L195-M221 HydrophobicContact CD1-SD 3.74Å; A211-M221 HydrophobicContact CB-CG 3.79Å; A211-M221 HydrophobicContact CB-SD 4.44Å; F212-M221 VanDerWaalsContact O-CE 3.24Å; F212-M221 WeakPolarHBondContact O-CE 3.43Å; D218-M221 HydrophobicContact CB-CE 4.23Å; D218-M221 WeakPolarHBondContact O-CA 3.23Å; D218-M221 WeakPolarHBondContact O-CB 3.22Å; D218-M221 PolarHBondContact O-N 2.93Å; D218-M221 WeakPolarHBondContact OD1-CE 3.39Å; I219-M221 PolarHBondContact O-N 3.49Å; M221-Y224 PolarHBondContact O-N 2.88Å; M221-A225 PolarHBondContact O-N 3.17Å; M221-A225 VanDerWaalsContact O-N 3.11Å |
| 222 | L | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -68.5 | -36.4 | 177.6 | -67 | 170.3 | 0 | 0 | 0 | 111.9 | A211 D218 I219 S228 V238 A241 | A211-L222 HydrophobicContact CB-CD2 4.28Å; D218-L222 HydrophobicContact CB-CD1 4.02Å; D218-L222 HydrophobicContact CB-CG 4.29Å; D218-L222 WeakPolarHBondContact O-CG 3.45Å; D218-L222 PolarHBondContact O-N 2.85Å; I219-L222 PolarHBondContact O-N 3.49Å; L222-S228 WeakPolarHBondContact O-CB 3.2Å; L222-S228 PolarHBondContact O-OG 2.64Å; L222-V238 HydrophobicContact CD1-CG1 3.5Å; L222-V238 VanDerWaalsContact CD1-CG1 3.5Å; L222-A241 HydrophobicContact CB-CB 4.42Å |
| 223 | E | 98.5 | Very high | 97.5 | Very high | 124 Ų | 124 | 29.2 Ų | 29.2 | 58% | 0.579 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -70.9 | -34.8 | 174.5 | -71.1 | -179.4 | 155.4 | 0 | 0 | 112.4 | I219 A241 | I219-E223 HydrophobicContact CG2-CG 4.44Å; I219-E223 WeakPolarHBondContact O-CG 3.4Å; I219-E223 PolarHBondContact O-N 3.5Å; E223-A241 HydrophobicContact CG-CB 4.05Å |
| 224 | Y | 98.5 | Very high | 97.3 | Very high | 61 Ų | 61 | 29.5 Ų | 29.5 | 24% | 0.239 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.5 | -41.4 | 179.8 | 178.4 | -110 | 0 | 0 | 0 | 112.6 | A192 L195 A196 S199 P206 I209 E220 M221 | A192-Y224 HydrophobicContact CB-CG 4.42Å; L195-Y224 HydrophobicContact CB-CD1 4.34Å; L195-Y224 HydrophobicContact CB-CE1 4.23Å; A196-Y224 WeakPolarHBondContact CA-OH 3.39Å; A196-Y224 HydrophobicContact CB-CE1 4.25Å; A196-Y224 HydrophobicContact CB-CE2 4.16Å; S199-Y224 PolarHBondContact OG-OH 2.91Å; P206-Y224 HydrophobicContact CB-CE2 4.32Å; P206-Y224 WeakPolarHBondContact CB-O 3.1Å; P206-Y224 HydrophobicContact CG-CE2 3.9Å; I209-Y224 HydrophobicContact CD1-CD1 4.36Å; I209-Y224 HydrophobicContact CD1-CE1 3.7Å; E220-Y224 WeakPolarHBondContact O-CB 3.06Å; E220-Y224 PolarHBondContact O-N 3.01Å; M221-Y224 PolarHBondContact O-N 2.88Å |
| 225 | A | 98.7 | Very high | 97.1 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -72.8 | 139.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I209 A211 M221 L227 | I209-A225 HydrophobicContact CB-CB 4.15Å; I209-A225 HydrophobicContact CG2-CB 3.93Å; A211-A225 HydrophobicContact CB-CB 3.43Å; A211-A225 VanDerWaalsContact CB-CB 3.43Å; M221-A225 PolarHBondContact O-N 3.17Å; M221-A225 VanDerWaalsContact O-N 3.11Å; A225-L227 VanDerWaalsContact C-N 3.31Å; A225-L227 WeakPolarHBondContact CB-O 3.34Å; A225-L227 PolarHBondContact O-N 3.47Å |
| 226 | G | 98.2 | Very high | 97 | Very high | 29 Ų | 29 | 39 Ų | 39 | 30% | 0.299 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -70.1 | -30 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | P206 I209 | P206-G226 WeakPolarHBondContact O-CA 3.07Å; P206-G226 PolarHBondContact O-N 2.88Å; I209-G226 PolarHBondContact O-N 3.17Å |
| 227 | L | 98.6 | Very high | 97.1 | Very high | 73 Ų | 73 | 42.5 Ų | 42.5 | 38% | 0.382 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 120 | 168.4 | -54 | 175 | 0 | 0 | 0 | 106.8 | I209 A210 A211 A225 Y229 L261 | I209-L227 PolarHBondContact O-N 3.4Å; A210-L227 CarbonylContact C-O 3.48Å; A210-L227 WeakPolarHBondContact CA-O 3.23Å; A210-L227 HydrophobicContact CB-CB 4.14Å; A211-L227 PolarHBondContact N-O 3.16Å; A225-L227 VanDerWaalsContact C-N 3.31Å; A225-L227 WeakPolarHBondContact CB-O 3.34Å; A225-L227 PolarHBondContact O-N 3.47Å; L227-Y229 HydrophobicContact CB-CE2 3.97Å; L227-L261 HydrophobicContact CD1-CD2 3.91Å |
| 228 | S | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 135.6 | -179.6 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | A211 L222 S242 K243 E244 | A211-S228 WeakPolarHBondContact O-CA 3.27Å; L222-S228 WeakPolarHBondContact O-CB 3.2Å; L222-S228 PolarHBondContact O-OG 2.64Å; S228-S242 WeakPolarHBondContact OG-CA 3.47Å; S228-K243 PolarHBondContact O-N 3.35Å; S228-K243 PolarHBondContact OG-N 3.48Å; S228-K243 VanDerWaalsContact OG-N 3.13Å; S228-E244 PolarHBondContact O-N 3.42Å; S228-E244 VanDerWaalsContact O-N 3.11Å |
| 229 | Y | 98.7 | Very high | 97.2 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 6% | 0.059 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 115.9 | -170.3 | -53.3 | -80.1 | 0 | 0 | 0 | 109.2 | A210 A211 F212 G213 L227 E244 I246 M257 L261 | A210-Y229 HydrophobicContact CB-CE2 4.2Å; A211-Y229 PolarHBondContact O-N 3.24Å; F212-Y229 WeakPolarHBondContact CA-O 3.37Å; F212-Y229 AromaticContact CD1-CD2 3.91Å; F212-Y229 HydrophobicContact CD1-CD2 3.91Å; F212-Y229 HydrophobicContact CD1-CG 4.12Å; F212-Y229 AromaticContact CE1-CD2 3.4Å; F212-Y229 HydrophobicContact CE1-CD2 3.4Å; F212-Y229 VanDerWaalsContact CE1-CD2 3.4Å; F212-Y229 HydrophobicContact CE1-CE2 4.18Å; F212-Y229 AromaticContact CE1-CG 3.78Å; F212-Y229 HydrophobicContact CE1-CG 3.78Å; F212-Y229 HydrophobicContact CE2-CD2 4.12Å; F212-Y229 HydrophobicContact CG-CD2 4.46Å; F212-Y229 AromaticContact CZ-CD2 3.53Å; F212-Y229 HydrophobicContact CZ-CD2 3.53Å; F212-Y229 AromaticContact CZ-CE2 3.93Å; F212-Y229 HydrophobicContact CZ-CE2 3.93Å; F212-Y229 HydrophobicContact CZ-CG 4.35Å; G213-Y229 PolarHBondContact N-O 3.39Å; L227-Y229 HydrophobicContact CB-CE2 3.97Å; Y229-E244 WeakPolarHBondContact CA-O 3.42Å; Y229-E244 HydrophobicContact CD1-CB 3.87Å; Y229-E244 HydrophobicContact CD1-CG 4.36Å; Y229-E244 HydrophobicContact CE1-CB 4.11Å; Y229-I246 HydrophobicContact CD1-CG2 3.64Å; Y229-I246 HydrophobicContact CG-CG2 4.18Å; Y229-M257 HydrophobicContact CD1-CE 3.99Å; Y229-M257 HydrophobicContact CD1-CG 4.08Å; Y229-M257 HydrophobicContact CD1-SD 4.36Å; Y229-M257 HydrophobicContact CD2-CG 4.17Å; Y229-M257 HydrophobicContact CE1-CE 3.71Å; Y229-M257 HydrophobicContact CE1-CG 3.95Å; Y229-M257 HydrophobicContact CE1-SD 3.76Å; Y229-M257 HydrophobicContact CE2-CG 4.03Å; Y229-M257 HydrophobicContact CG-CG 4.19Å; Y229-L261 HydrophobicContact CE2-CD1 4.14Å |
| 230 | A | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 141.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | G213 A234 V238 K239 S242 E244 V245 I246 | G213-A230 WeakPolarHBondContact O-CA 3.44Å; A230-A234 HydrophobicContact CB-CB 4.28Å; A230-V238 HydrophobicContact CB-CG1 4.44Å; A230-K239 HydrophobicContact CB-CB 4.38Å; A230-K239 HydrophobicContact CB-CG 4.02Å; A230-S242 WeakPolarHBondContact CB-OG 3.12Å; A230-S242 VanDerWaalsContact N-CB 3.33Å; A230-S242 PolarHBondContact N-OG 3.16Å; A230-E244 PolarHBondContact N-O 3.27Å; A230-V245 WeakPolarHBondContact O-CA 3.36Å; A230-I246 PolarHBondContact O-N 2.79Å |
| 231 | M | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 151.2 | 174.5 | -53.3 | -53.2 | -68.2 | 0 | 0 | 111.3 | T9 G213 D214 N233 A234 I246 G247 S248 N249 V254 | T9-M231 HydrophobicContact CG2-CG 4.1Å; T9-M231 HydrophobicContact CG2-SD 4.04Å; G213-M231 PolarHBondContact O-N 2.81Å; G213-M231 VanDerWaalsContact O-N 3.1Å; D214-M231 HydrophobicContact CB-CB 4.04Å; D214-M231 HydrophobicContact CB-CG 4Å; M231-N233 VanDerWaalsContact CB-OD1 3.27Å; M231-N233 WeakPolarHBondContact CB-OD1 3.44Å; M231-N233 PolarHBondContact O-N 3.11Å; M231-A234 WeakPolarHBondContact O-CB 3.43Å; M231-A234 PolarHBondContact O-N 3.39Å; M231-I246 HydrophobicContact CE-CD1 4.43Å; M231-I246 HydrophobicContact CE-CG1 4.49Å; M231-I246 HydrophobicContact SD-CD1 3.89Å; M231-I246 HydrophobicContact SD-CG1 3.98Å; M231-G247 WeakPolarHBondContact CE-O 3.28Å; M231-S248 VanDerWaalsContact CE-C 3.49Å; M231-N249 HydrophobicContact CE-CB 4.34Å; M231-V254 HydrophobicContact CE-CG2 3.74Å; M231-V254 HydrophobicContact SD-CG2 3.62Å |
| 232 | E | 97.6 | Very high | 97.2 | Very high | 102 Ų | 102 | 48 Ų | 48 | 48% | 0.477 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -36.4 | 175.4 | -175.2 | -173 | -179.9 | 0 | 0 | 112.4 | A234 K239 I246 | E232-A234 PolarHBondContact O-N 2.86Å; E232-K239 WeakPolarHBondContact O-CE 3.43Å; E232-K239 PolarHBondContact O-NZ 3.27Å; E232-I246 WeakPolarHBondContact CB-O 3.46Å; E232-I246 PolarHBondContact N-O 2.86Å |
| 233 | N | 95.2 | Very high | 97.1 | Very high | 67 Ų | 67 | 55.2 Ų | 55.2 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -5.5 | 177.6 | 55.1 | -78.9 | 0 | 0 | 0 | 114.3 | G8 D214 M231 N249 | G8-N233 PolarHBondContact O-ND2 3.49Å; D214-N233 PolarHBondContact OD2-ND2 2.91Å; M231-N233 VanDerWaalsContact CB-OD1 3.27Å; M231-N233 WeakPolarHBondContact CB-OD1 3.44Å; M231-N233 PolarHBondContact O-N 3.11Å; N233-N249 PolarHBondContact OD1-N 2.79Å; N233-N249 PolarHBondContact OD1-OD1 3.46Å |
| 234 | A | 95 | Very high | 97.1 | Very high | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -67.7 | 154 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | D214 A230 M231 E232 V238 K239 | D214-A234 HydrophobicContact CB-CB 4.02Å; D214-A234 WeakPolarHBondContact O-CA 3.39Å; D214-A234 WeakPolarHBondContact O-CB 3.41Å; A230-A234 HydrophobicContact CB-CB 4.28Å; M231-A234 WeakPolarHBondContact O-CB 3.43Å; M231-A234 PolarHBondContact O-N 3.39Å; E232-A234 PolarHBondContact O-N 2.86Å; A234-V238 HydrophobicContact CB-CB 4.14Å; A234-V238 HydrophobicContact CB-CG1 4.22Å; A234-K239 HydrophobicContact CB-CG 4.11Å; A234-K239 WeakPolarHBondContact O-CE 3.34Å; A234-K239 PolarHBondContact O-NZ 3.03Å |
| 235 | Q | 91.2 | Very high | 97.1 | Very high | 101 Ų | 101 | 54.4 Ų | 54.4 | 47% | 0.472 | 27% | 0.271 | S | S | . | . | trans | -66.1 | 153.7 | 170.5 | -64.8 | -176.5 | -7 | 0 | 0 | 111.2 | K237 V238 K239 | Q235-K237 VanDerWaalsContact C-N 3.28Å; Q235-K237 HydrophobicContact CB-CG 4.37Å; Q235-K237 PolarHBondContact O-N 2.81Å; Q235-K237 VanDerWaalsContact OE1-CE 3.23Å; Q235-V238 HydrophobicContact CB-CG2 4.38Å; Q235-V238 WeakPolarHBondContact O-CB 3.45Å; Q235-V238 PolarHBondContact O-N 2.79Å; Q235-K239 PolarHBondContact O-N 3.19Å; Q235-K239 VanDerWaalsContact O-N 3.12Å | ||
| 236 | E | 94.3 | Very high | 97.1 | Very high | 119 Ų | 119 | 55.1 Ų | 55.1 | 56% | 0.556 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -56.7 | -39.9 | -175.4 | -170.3 | 59.1 | -156 | 0 | 0 | 113.1 | V238 K239 Q240 | E236-V238 VanDerWaalsContact C-N 3.26Å; E236-V238 PolarHBondContact O-N 3.28Å; E236-K239 PolarHBondContact O-N 2.96Å; E236-Q240 WeakPolarHBondContact O-CG 3.4Å; E236-Q240 PolarHBondContact O-N 3.32Å |
| 237 | K | 94.1 | Very high | 97 | Very high | 85 Ų | 85 | 54.9 Ų | 54.9 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.9 | -33.3 | 176.5 | 66.5 | 178.8 | -177.8 | -176.1 | 0 | 113.3 | I219 Q235 A241 | I219-K237 HydrophobicContact CD1-CD 4.16Å; I219-K237 HydrophobicContact CD1-CG 4.17Å; Q235-K237 VanDerWaalsContact C-N 3.28Å; Q235-K237 HydrophobicContact CB-CG 4.37Å; Q235-K237 PolarHBondContact O-N 2.81Å; Q235-K237 VanDerWaalsContact OE1-CE 3.23Å; K237-A241 PolarHBondContact O-N 3.08Å |
| 238 | V | 95.9 | Very high | 97 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.9 | -39.9 | 178.9 | -175.9 | 0 | 0 | 0 | 0 | 109.9 | S215 I219 L222 A230 A234 Q235 E236 Q240 A241 S242 | S215-V238 WeakPolarHBondContact O-CG2 3.36Å; I219-V238 HydrophobicContact CD1-CG2 4.33Å; I219-V238 HydrophobicContact CG1-CG2 4.1Å; L222-V238 HydrophobicContact CD1-CG1 3.5Å; L222-V238 VanDerWaalsContact CD1-CG1 3.5Å; A230-V238 HydrophobicContact CB-CG1 4.44Å; A234-V238 HydrophobicContact CB-CB 4.14Å; A234-V238 HydrophobicContact CB-CG1 4.22Å; Q235-V238 HydrophobicContact CB-CG2 4.38Å; Q235-V238 WeakPolarHBondContact O-CB 3.45Å; Q235-V238 PolarHBondContact O-N 2.79Å; E236-V238 VanDerWaalsContact C-N 3.26Å; E236-V238 PolarHBondContact O-N 3.28Å; V238-Q240 VanDerWaalsContact C-N 3.26Å; V238-Q240 PolarHBondContact O-N 3.09Å; V238-A241 WeakPolarHBondContact O-CB 3.41Å; V238-A241 PolarHBondContact O-N 2.84Å; V238-A241 VanDerWaalsContact O-N 3.1Å; V238-S242 PolarHBondContact O-N 2.93Å |
| 239 | K | 98.2 | Very high | 96.9 | Very high | 54 Ų | 54 | 52.4 Ų | 52.4 | 24% | 0.235 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.6 | -35.1 | 172.7 | -65.7 | 175.8 | 174.8 | 163.5 | 0 | 112.8 | A230 E232 A234 Q235 E236 A241 S242 V245 | A230-K239 HydrophobicContact CB-CB 4.38Å; A230-K239 HydrophobicContact CB-CG 4.02Å; E232-K239 WeakPolarHBondContact O-CE 3.43Å; E232-K239 PolarHBondContact O-NZ 3.27Å; A234-K239 HydrophobicContact CB-CG 4.11Å; A234-K239 WeakPolarHBondContact O-CE 3.34Å; A234-K239 PolarHBondContact O-NZ 3.03Å; Q235-K239 PolarHBondContact O-N 3.19Å; Q235-K239 VanDerWaalsContact O-N 3.12Å; E236-K239 PolarHBondContact O-N 2.96Å; K239-A241 VanDerWaalsContact C-N 3.3Å; K239-S242 PolarHBondContact O-N 3.47Å; K239-S242 PolarHBondContact O-OG 3.17Å; K239-S242 VanDerWaalsContact O-OG 3.09Å; K239-V245 HydrophobicContact CB-CG2 3.89Å; K239-V245 HydrophobicContact CD-CG1 4.46Å; K239-V245 HydrophobicContact CD-CG2 4.23Å; K239-V245 HydrophobicContact CG-CG2 3.9Å |
| 240 | Q | 97.9 | Very high | 96.8 | Very high | 143 Ų | 143 | 55.4 Ų | 55.4 | 67% | 0.668 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -71.7 | -25 | 176.3 | -71.6 | 173.5 | 1.9 | 0 | 0 | 113.3 | E236 V238 | E236-Q240 WeakPolarHBondContact O-CG 3.4Å; E236-Q240 PolarHBondContact O-N 3.32Å; V238-Q240 VanDerWaalsContact C-N 3.26Å; V238-Q240 PolarHBondContact O-N 3.09Å |
| 241 | A | 97.5 | Very high | 96.8 | Very high | 11 Ų | 11 | 61 Ų | 61 | 9% | 0.091 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -78.6 | -21.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I219 L222 E223 K237 V238 K239 | I219-A241 HydrophobicContact CB-CB 4.45Å; I219-A241 HydrophobicContact CG1-CB 4.42Å; I219-A241 HydrophobicContact CG2-CB 3.96Å; L222-A241 HydrophobicContact CB-CB 4.42Å; E223-A241 HydrophobicContact CG-CB 4.05Å; K237-A241 PolarHBondContact O-N 3.08Å; V238-A241 WeakPolarHBondContact O-CB 3.41Å; V238-A241 PolarHBondContact O-N 2.84Å; V238-A241 VanDerWaalsContact O-N 3.1Å; K239-A241 VanDerWaalsContact C-N 3.3Å |
| 242 | S | 97.9 | Very high | 96.7 | Very high | 15 Ų | 15 | 64.1 Ų | 64.1 | 11% | 0.105 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -89.9 | 161 | 179.8 | 74.4 | 0 | 0 | 0 | 0 | 113.3 | S228 A230 V238 K239 E244 | S228-S242 WeakPolarHBondContact OG-CA 3.47Å; A230-S242 WeakPolarHBondContact CB-OG 3.12Å; A230-S242 VanDerWaalsContact N-CB 3.33Å; A230-S242 PolarHBondContact N-OG 3.16Å; V238-S242 PolarHBondContact O-N 2.93Å; K239-S242 PolarHBondContact O-N 3.47Å; K239-S242 PolarHBondContact O-OG 3.17Å; K239-S242 VanDerWaalsContact O-OG 3.09Å; S242-E244 WeakPolarHBondContact CB-O 3.01Å; S242-E244 PolarHBondContact OG-O 2.8Å |
| 243 | K | 98 | Very high | 96.8 | Very high | 152 Ų | 152 | 59.4 Ų | 59.4 | 66% | 0.661 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -79 | -31.8 | 172.8 | -58.3 | -53 | 174.4 | -162.6 | 0 | 112.4 | S228 | S228-K243 PolarHBondContact O-N 3.35Å; S228-K243 PolarHBondContact OG-N 3.48Å; S228-K243 VanDerWaalsContact OG-N 3.13Å |
| 244 | E | 98.2 | Very high | 96.9 | Very high | 98 Ų | 98 | 56.3 Ų | 56.3 | 46% | 0.458 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 154.1 | -177.7 | -175.3 | 170.6 | 163.5 | 0 | 0 | 110.1 | S228 Y229 A230 S242 I246 | S228-E244 PolarHBondContact O-N 3.42Å; S228-E244 VanDerWaalsContact O-N 3.11Å; Y229-E244 WeakPolarHBondContact CA-O 3.42Å; Y229-E244 HydrophobicContact CD1-CB 3.87Å; Y229-E244 HydrophobicContact CD1-CG 4.36Å; Y229-E244 HydrophobicContact CE1-CB 4.11Å; A230-E244 PolarHBondContact N-O 3.27Å; S242-E244 WeakPolarHBondContact CB-O 3.01Å; S242-E244 PolarHBondContact OG-O 2.8Å; E244-I246 HydrophobicContact CG-CG2 4.37Å |
| 245 | V | 98.6 | Very high | 97.1 | Very high | 69 Ų | 69 | 56.2 Ų | 56.2 | 42% | 0.418 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126.2 | 170.1 | -179.4 | 0 | 0 | 0 | 0 | 107.2 | A230 K239 | A230-V245 WeakPolarHBondContact O-CA 3.36Å; K239-V245 HydrophobicContact CB-CG2 3.89Å; K239-V245 HydrophobicContact CD-CG1 4.46Å; K239-V245 HydrophobicContact CD-CG2 4.23Å; K239-V245 HydrophobicContact CG-CG2 3.9Å |
| 246 | I | 98.4 | Very high | 97.4 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 9% | 0.092 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 178.4 | -179.4 | 63.9 | 172.2 | 0 | 0 | 0 | 110.6 | F212 Y229 A230 M231 E232 E244 M257 | F212-I246 HydrophobicContact CD1-CD1 3.74Å; F212-I246 HydrophobicContact CE1-CD1 3.85Å; Y229-I246 HydrophobicContact CD1-CG2 3.64Å; Y229-I246 HydrophobicContact CG-CG2 4.18Å; A230-I246 PolarHBondContact O-N 2.79Å; M231-I246 HydrophobicContact CE-CD1 4.43Å; M231-I246 HydrophobicContact CE-CG1 4.49Å; M231-I246 HydrophobicContact SD-CD1 3.89Å; M231-I246 HydrophobicContact SD-CG1 3.98Å; E232-I246 WeakPolarHBondContact CB-O 3.46Å; E232-I246 PolarHBondContact N-O 2.86Å; E244-I246 HydrophobicContact CG-CG2 4.37Å; I246-M257 HydrophobicContact CD1-CB 4.14Å; I246-M257 HydrophobicContact CG2-CE 3.56Å |
| 247 | G | 97.2 | Very high | 97.6 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 24% | 0.237 | 25% | 0.253 | C | S | . | . | trans | -56.5 | 162.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | M231 | M231-G247 WeakPolarHBondContact CE-O 3.28Š| ||
| 248 | S | 97.4 | Very high | 97.9 | Very high | 14 Ų | 14 | 46.7 Ų | 46.7 | 10% | 0.098 | 24% | 0.235 | C | C | . | . | trans | -67.7 | 165.1 | -179.9 | 58.8 | 0 | 0 | 0 | 0 | 113.5 | M231 N250 Q251 G253 | M231-S248 VanDerWaalsContact CE-C 3.49Å; S248-N250 VanDerWaalsContact C-N 3.25Å; S248-N250 PolarHBondContact O-N 3.13Å; S248-Q251 PolarHBondContact O-N 3.09Å; S248-Q251 WeakPolarHBondContact OG-CG 3.4Å; S248-G253 PolarHBondContact O-N 3.43Å | ||
| 249 | N | 96.6 | Very high | 98 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -55.3 | -40.1 | 172.7 | 65.4 | -42.1 | 0 | 0 | 0 | 112.6 | G8 T9 L11 D13 M231 N233 Q251 E252 | G8-N249 WeakPolarHBondContact O-CB 3.24Å; T9-N249 WeakPolarHBondContact O-CB 3.33Å; L11-N249 WeakPolarHBondContact O-CB 3.5Å; L11-N249 PolarHBondContact O-ND2 3.07Å; D13-N249 PolarHBondContact OD1-ND2 3.45Å; D13-N249 VanDerWaalsContact OD1-ND2 3.1Å; M231-N249 HydrophobicContact CE-CB 4.34Å; N233-N249 PolarHBondContact OD1-N 2.79Å; N233-N249 PolarHBondContact OD1-OD1 3.46Å; N249-Q251 PolarHBondContact O-N 2.88Å; N249-Q251 VanDerWaalsContact O-N 3.16Å; N249-E252 PolarHBondContact O-N 2.79Å; N249-E252 VanDerWaalsContact O-N 3.15Å |
| 250 | N | 97.7 | Very high | 98 | Very high | 78 Ų | 78 | 50.5 Ų | 50.5 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -68.6 | -9.2 | 177.6 | -69.5 | -50.2 | 0 | 0 | 0 | 114.3 | D13 S248 | D13-N250 VanDerWaalsContact CG-ND2 3.28Å; D13-N250 PolarHBondContact N-OD1 3.01Å; D13-N250 VanDerWaalsContact N-OD1 3.1Å; D13-N250 PolarHBondContact OD2-ND2 2.88Å; S248-N250 VanDerWaalsContact C-N 3.25Å; S248-N250 PolarHBondContact O-N 3.13Å |
| 251 | Q | 97 | Very high | 97.9 | Very high | 117 Ų | 117 | 45.6 Ų | 45.6 | 55% | 0.547 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -106.9 | 11 | 176.8 | -67.6 | 171.1 | -8 | 0 | 0 | 112.4 | S248 N249 G253 | S248-Q251 PolarHBondContact O-N 3.09Å; S248-Q251 WeakPolarHBondContact OG-CG 3.4Å; N249-Q251 PolarHBondContact O-N 2.88Å; N249-Q251 VanDerWaalsContact O-N 3.16Å; Q251-G253 PolarHBondContact O-N 3.36Å |
| 252 | E | 97.6 | Very high | 97.9 | Very high | 66 Ų | 66 | 45.4 Ų | 45.4 | 31% | 0.308 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 31.6 | -174.5 | -51.8 | -177.6 | -174 | 0 | 0 | 112.7 | N18 R21 N249 V254 L255 E256 | N18-E252 WeakPolarHBondContact CB-OE1 3.37Å; N18-E252 PolarHBondContact ND2-OE1 3.19Å; N18-E252 VanDerWaalsContact ND2-OE1 3.15Å; R21-E252 WeakPolarHBondContact CD-OE2 3.35Å; R21-E252 IonicContact CZ-OE2 3.59Å; R21-E252 IonicContact NE-OE2 3.65Å; R21-E252 IonicContact NH1-OE2 2.67Å; R21-E252 PolarHBondContact NH1-OE2 3.22Å; N249-E252 PolarHBondContact O-N 2.79Å; N249-E252 VanDerWaalsContact O-N 3.15Å; E252-V254 PolarHBondContact O-N 2.59Å; E252-V254 VanDerWaalsContact O-N 3.14Å; E252-L255 HydrophobicContact CB-CB 4.31Å; E252-L255 HydrophobicContact CB-CD1 4.31Å; E252-L255 PolarHBondContact O-N 3.22Å; E252-E256 PolarHBondContact O-N 3.41Å |
| 253 | G | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54.3 | -37.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S248 Q251 E256 M257 | S248-G253 PolarHBondContact O-N 3.43Å; Q251-G253 PolarHBondContact O-N 3.36Å; G253-E256 PolarHBondContact O-N 3.09Å; G253-M257 WeakPolarHBondContact O-CB 3.25Å; G253-M257 PolarHBondContact O-N 3.23Å |
| 254 | V | 98.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 175 | -178.5 | 0 | 0 | 0 | 0 | 111.6 | V4 T9 F10 F212 M231 E252 E256 M257 M258 | V4-V254 HydrophobicContact CG1-CG1 3.8Å; T9-V254 HydrophobicContact CG2-CG2 3.87Å; T9-V254 WeakPolarHBondContact O-CG2 3.48Å; F10-V254 HydrophobicContact CD2-CB 4.35Å; F10-V254 HydrophobicContact CD2-CG1 3.85Å; F10-V254 HydrophobicContact CE2-CG1 4.43Å; F212-V254 HydrophobicContact CB-CG1 4.42Å; F212-V254 HydrophobicContact CB-CG2 4.19Å; F212-V254 HydrophobicContact CD1-CB 4.29Å; F212-V254 HydrophobicContact CD1-CG1 3.92Å; F212-V254 HydrophobicContact CD1-CG2 3.99Å; F212-V254 HydrophobicContact CD2-CG1 4.3Å; F212-V254 HydrophobicContact CE1-CG1 4.23Å; F212-V254 HydrophobicContact CG-CG1 3.96Å; F212-V254 HydrophobicContact CG-CG2 4.3Å; M231-V254 HydrophobicContact CE-CG2 3.74Å; M231-V254 HydrophobicContact SD-CG2 3.62Å; E252-V254 PolarHBondContact O-N 2.59Å; E252-V254 VanDerWaalsContact O-N 3.14Å; V254-E256 VanDerWaalsContact C-N 3.32Å; V254-E256 PolarHBondContact O-N 3.1Å; V254-M257 PolarHBondContact O-N 2.86Å; V254-M258 HydrophobicContact CG1-CG 4.24Å; V254-M258 HydrophobicContact CG1-SD 3.9Å; V254-M258 WeakPolarHBondContact O-CB 3.28Å; V254-M258 VanDerWaalsContact O-CG 3.22Å; V254-M258 WeakPolarHBondContact O-CG 3.29Å; V254-M258 PolarHBondContact O-N 3.3Å |
| 255 | L | 98.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | -179.1 | -60.6 | -177.5 | 0 | 0 | 0 | 111.5 | F10 N18 R21 F22 I25 E252 M258 E259 | F10-L255 HydrophobicContact CE2-CD2 3.61Å; F10-L255 HydrophobicContact CZ-CD2 3.91Å; N18-L255 HydrophobicContact CB-CD1 3.94Å; R21-L255 HydrophobicContact CB-CD1 4.28Å; R21-L255 HydrophobicContact CG-CD1 4.23Å; F22-L255 HydrophobicContact CB-CD2 4.19Å; F22-L255 HydrophobicContact CD2-CD2 4.14Å; I25-L255 HydrophobicContact CD1-CB 3.98Å; I25-L255 HydrophobicContact CD1-CD2 4.02Å; E252-L255 HydrophobicContact CB-CB 4.31Å; E252-L255 HydrophobicContact CB-CD1 4.31Å; E252-L255 PolarHBondContact O-N 3.22Å; L255-M258 HydrophobicContact CD2-SD 4.29Å; L255-M258 PolarHBondContact O-N 2.98Å; L255-E259 WeakPolarHBondContact O-CG 3.05Å; L255-E259 PolarHBondContact O-N 3.4Å |
| 256 | E | 98.4 | Very high | 96.7 | Very high | 94 Ų | 94 | 49.7 Ų | 49.7 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61 | -49.4 | 173.9 | -175.4 | 179.1 | 170.7 | 0 | 0 | 111.8 | E252 G253 V254 M258 E259 Q260 | E252-E256 PolarHBondContact O-N 3.41Å; G253-E256 PolarHBondContact O-N 3.09Å; V254-E256 VanDerWaalsContact C-N 3.32Å; V254-E256 PolarHBondContact O-N 3.1Å; E256-M258 PolarHBondContact O-N 2.93Å; E256-E259 WeakPolarHBondContact O-CB 3.25Å; E256-E259 PolarHBondContact O-N 2.85Å; E256-Q260 WeakPolarHBondContact O-CG 3.42Å; E256-Q260 PolarHBondContact O-N 3.08Å; E256-Q260 PolarHBondContact OE1-NE2 3.22Å |
| 257 | M | 98.5 | Very high | 96.6 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.059 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 179.4 | -177.6 | 53.2 | 73 | 0 | 0 | 111.9 | F212 Y229 I246 G253 V254 E259 Q260 L261 | F212-M257 HydrophobicContact CE1-CB 3.75Å; F212-M257 HydrophobicContact CE1-CG 3.6Å; F212-M257 HydrophobicContact CZ-CB 4.18Å; F212-M257 HydrophobicContact CZ-CG 3.81Å; Y229-M257 HydrophobicContact CD1-CE 3.99Å; Y229-M257 HydrophobicContact CD1-CG 4.08Å; Y229-M257 HydrophobicContact CD1-SD 4.36Å; Y229-M257 HydrophobicContact CD2-CG 4.17Å; Y229-M257 HydrophobicContact CE1-CE 3.71Å; Y229-M257 HydrophobicContact CE1-CG 3.95Å; Y229-M257 HydrophobicContact CE1-SD 3.76Å; Y229-M257 HydrophobicContact CE2-CG 4.03Å; Y229-M257 HydrophobicContact CG-CG 4.19Å; I246-M257 HydrophobicContact CD1-CB 4.14Å; I246-M257 HydrophobicContact CG2-CE 3.56Å; G253-M257 WeakPolarHBondContact O-CB 3.25Å; G253-M257 PolarHBondContact O-N 3.23Å; V254-M257 PolarHBondContact O-N 2.86Å; M257-E259 VanDerWaalsContact C-N 3.32Å; M257-E259 PolarHBondContact O-N 2.65Å; M257-Q260 WeakPolarHBondContact O-CB 3.43Å; M257-Q260 PolarHBondContact O-N 3.19Å; M257-Q260 VanDerWaalsContact O-N 3.13Å; M257-Q260 HydrophobicContact SD-CB 4.29Å; M257-L261 HydrophobicContact CG-CD1 4.34Å; M257-L261 HydrophobicContact CG-CG 4.43Å; M257-L261 WeakPolarHBondContact O-CG 3.45Å; M257-L261 PolarHBondContact O-N 2.96Å; M257-L261 HydrophobicContact SD-CG 4.3Å |
| 258 | M | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 173.2 | -72.4 | 175 | 76.6 | 0 | 0 | 111.9 | I2 F10 F22 I25 M29 F36 F212 V254 L255 E256 Q260 L261 L262 | I2-M258 HydrophobicContact CD1-CE 4.25Å; I2-M258 HydrophobicContact CD1-CG 4.29Å; I2-M258 HydrophobicContact CG2-CE 4.09Å; I2-M258 HydrophobicContact CG2-CG 4.29Å; I2-M258 HydrophobicContact CG2-SD 4.4Å; F10-M258 HydrophobicContact CE2-SD 4.36Å; F22-M258 HydrophobicContact CE2-CE 4.39Å; I25-M258 HydrophobicContact CG2-CB 3.97Å; I25-M258 HydrophobicContact CG2-CE 3.52Å; I25-M258 HydrophobicContact CG2-SD 4.36Å; M29-M258 HydrophobicContact SD-CE 3.41Å; M29-M258 WeakPolarHBondContact SD-CE 3.21Å; F36-M258 HydrophobicContact CD2-CE 3.76Å; F36-M258 HydrophobicContact CE2-CE 3.53Å; F36-M258 HydrophobicContact CE2-SD 4.16Å; F212-M258 HydrophobicContact CZ-CG 4.35Å; V254-M258 HydrophobicContact CG1-CG 4.24Å; V254-M258 HydrophobicContact CG1-SD 3.9Å; V254-M258 WeakPolarHBondContact O-CB 3.28Å; V254-M258 VanDerWaalsContact O-CG 3.22Å; V254-M258 WeakPolarHBondContact O-CG 3.29Å; V254-M258 PolarHBondContact O-N 3.3Å; L255-M258 HydrophobicContact CD2-SD 4.29Å; L255-M258 PolarHBondContact O-N 2.98Å; E256-M258 PolarHBondContact O-N 2.93Å; M258-Q260 VanDerWaalsContact C-N 3.33Å; M258-Q260 PolarHBondContact O-N 2.95Å; M258-L261 PolarHBondContact O-N 3.23Å; M258-L262 VanDerWaalsContact O-CG 3.24Å; M258-L262 WeakPolarHBondContact O-CG 3.4Å; M258-L262 PolarHBondContact O-N 2.89Å |
| 259 | E | 98.5 | Very high | 96.5 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 19% | 0.192 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.6 | -37.7 | 174.8 | -73.2 | 172.7 | 170.9 | 0 | 0 | 112.4 | R21 I25 L255 E256 M257 R263 | R21-E259 IonicContact CZ-OE1 3.59Å; R21-E259 IonicContact CZ-OE2 2.68Å; R21-E259 IonicContact NE-OE1 2.71Å; R21-E259 PolarHBondContact NE-OE1 3.2Å; R21-E259 IonicContact NE-OE2 3.9Å; R21-E259 VanDerWaalsContact NH2-CD 3.33Å; R21-E259 IonicContact NH2-OE1 2.75Å; R21-E259 IonicContact NH2-OE2 2.61Å; R21-E259 PolarHBondContact NH2-OE2 3.2Å; I25-E259 HydrophobicContact CD1-CG 3.67Å; I25-E259 HydrophobicContact CG1-CG 3.74Å; L255-E259 WeakPolarHBondContact O-CG 3.05Å; L255-E259 PolarHBondContact O-N 3.4Å; E256-E259 WeakPolarHBondContact O-CB 3.25Å; E256-E259 PolarHBondContact O-N 2.85Å; M257-E259 VanDerWaalsContact C-N 3.32Å; M257-E259 PolarHBondContact O-N 2.65Å; E259-R263 VanDerWaalsContact O-CG 3.27Å; E259-R263 WeakPolarHBondContact O-CG 3.21Å; E259-R263 PolarHBondContact O-N 2.98Å |
| 260 | Q | 98 | Very high | 96.5 | Very high | 92 Ų | 92 | 58.8 Ų | 58.8 | 43% | 0.43 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 175.7 | -66.8 | -179.6 | 20.7 | 0 | 0 | 111.3 | E256 M257 M258 L262 R263 A264 | E256-Q260 WeakPolarHBondContact O-CG 3.42Å; E256-Q260 PolarHBondContact O-N 3.08Å; E256-Q260 PolarHBondContact OE1-NE2 3.22Å; M257-Q260 WeakPolarHBondContact O-CB 3.43Å; M257-Q260 PolarHBondContact O-N 3.19Å; M257-Q260 VanDerWaalsContact O-N 3.13Å; M257-Q260 HydrophobicContact SD-CB 4.29Å; M258-Q260 VanDerWaalsContact C-N 3.33Å; M258-Q260 PolarHBondContact O-N 2.95Å; Q260-L262 VanDerWaalsContact C-N 3.29Å; Q260-L262 PolarHBondContact O-N 3.13Å; Q260-R263 PolarHBondContact O-N 3.26Å; Q260-A264 PolarHBondContact O-N 2.79Å |
| 261 | L | 97.5 | Very high | 96.4 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.5 | -37.1 | 177 | -72.6 | 175.2 | 0 | 0 | 0 | 112.8 | A210 F212 L227 Y229 M257 M258 R263 | A210-L261 HydrophobicContact CB-CD1 3.68Å; F212-L261 HydrophobicContact CZ-CD1 4.07Å; L227-L261 HydrophobicContact CD1-CD2 3.91Å; Y229-L261 HydrophobicContact CE2-CD1 4.14Å; M257-L261 HydrophobicContact CG-CD1 4.34Å; M257-L261 HydrophobicContact CG-CG 4.43Å; M257-L261 WeakPolarHBondContact O-CG 3.45Å; M257-L261 PolarHBondContact O-N 2.96Å; M257-L261 HydrophobicContact SD-CG 4.3Å; M258-L261 PolarHBondContact O-N 3.23Å; L261-R263 VanDerWaalsContact C-N 3.31Å; L261-R263 PolarHBondContact O-N 2.64Å |
| 262 | L | 96.9 | Very high | 96.4 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -75.5 | -18.5 | -179.5 | -70.3 | 170.5 | 0 | 0 | 0 | 114 | I25 Q28 M29 K32 I34 M258 Q260 | I25-L262 HydrophobicContact CG2-CD1 3.75Å; Q28-L262 HydrophobicContact CB-CD1 4.12Å; M29-L262 HydrophobicContact CG-CD1 4.02Å; M29-L262 HydrophobicContact CG-CD2 3.93Å; K32-L262 HydrophobicContact CD-CD2 3.88Å; K32-L262 VanDerWaalsContact CE-O 3.27Å; K32-L262 WeakPolarHBondContact CE-O 3.37Å; K32-L262 PolarHBondContact NZ-O 3.41Å; I34-L262 HydrophobicContact CD1-CD2 3.46Å; I34-L262 VanDerWaalsContact CD1-CD2 3.46Å; M258-L262 VanDerWaalsContact O-CG 3.24Å; M258-L262 WeakPolarHBondContact O-CG 3.4Å; M258-L262 PolarHBondContact O-N 2.89Å; Q260-L262 VanDerWaalsContact C-N 3.29Å; Q260-L262 PolarHBondContact O-N 3.13Å |
| 263 | R | 93.9 | Very high | 96.3 | Very high | 195 Ų | 195 | 51.8 Ų | 51.8 | 74% | 0.736 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -85.8 | -21.6 | 177.1 | -71.4 | 172 | -167.9 | -179.9 | 9 | 113.4 | E259 Q260 L261 | E259-R263 VanDerWaalsContact O-CG 3.27Å; E259-R263 WeakPolarHBondContact O-CG 3.21Å; E259-R263 PolarHBondContact O-N 2.98Å; Q260-R263 PolarHBondContact O-N 3.26Å; L261-R263 VanDerWaalsContact C-N 3.31Å; L261-R263 PolarHBondContact O-N 2.64Å |
| 264 | A | 80 | Confident | 96.1 | Very high | 130 Ų | 130 | 56.2 Ų | 56.2 | 100% | 1.074 | 29% | 0.292 | S | S | * | . | trans | -70 | 0 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q260 | Q260-A264 PolarHBondContact O-N 2.79Š|
Retrieved 264 of 264 residues in 330.1 ms
(Link to these results)