| 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 | 30.5 | Very low | 77.4 | Confident | 225 Ų | 225 | 75.1 Ų | 75.1 | 100% | 1.108 | 39% | 0.391 | S | S | * | . | 0 | 91.5 | 0 | -72.9 | 176.5 | -171.2 | 0 | 0 | 107.5 | F3 | M1-F3 PolarHBondContact O-N 3.33Š| |||
| 2 | N | 35.2 | Very low | 79.2 | Confident | 165 Ų | 165 | 74.2 Ų | 74.2 | 88% | 0.882 | 39% | 0.387 | S | S | * | . | trans | -80.5 | 94.4 | 173.8 | -88.6 | -2.5 | 0 | 0 | 0 | 107.7 | S4 | N2-S4 PolarHBondContact O-N 3Š| ||
| 3 | F | 44.3 | Very low | 80.7 | Confident | 194 Ų | 194 | 68.5 Ų | 68.5 | 85% | 0.851 | 36% | 0.357 | S | S | * | . | trans | -65.8 | 91.8 | 154.7 | -84.6 | -88.3 | 0 | 0 | 0 | 105.9 | M1 L5 | M1-F3 PolarHBondContact O-N 3.33Å; F3-L5 PolarHBondContact O-N 3.5Å | ||
| 4 | S | 61.9 | Low | 81.9 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 49% | 0.49 | 34% | 0.342 | S | S | . | . | trans | -65.1 | 105.5 | 172.2 | 62.8 | 0 | 0 | 0 | 0 | 107 | N2 S6 | N2-S4 PolarHBondContact O-N 3Å; S4-S6 PolarHBondContact O-N 2.92Å | ||
| 5 | L | 88.7 | Confident | 83 | Confident | 98 Ų | 98 | 69.5 Ų | 69.5 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | trans | -63.3 | 103.6 | 175.3 | -178.6 | 71.7 | 0 | 0 | 0 | 107.8 | F3 V7 A56 T57 | F3-L5 PolarHBondContact O-N 3.5Å; L5-V7 HydrophobicContact CD2-CG1 4.23Å; L5-V7 HydrophobicContact CG-CG1 3.99Å; L5-A56 WeakPolarHBondContact O-CA 3.2Å; L5-A56 WeakPolarHBondContact O-CB 3.16Å; L5-T57 PolarHBondContact O-N 3.16Å | ||
| 6 | S | 97.5 | Very high | 83.9 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 21% | 0.21 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 129.6 | 169.2 | -36.5 | 0 | 0 | 0 | 0 | 109.7 | S4 R33 T57 | S4-S6 PolarHBondContact O-N 2.92Å; S6-R33 VanDerWaalsContact O-CZ 3.3Å; S6-R33 PolarHBondContact O-NE 3.06Å; S6-R33 PolarHBondContact O-NH2 2.78Å; S6-T57 CarbonylContact C-O 3.6Å; S6-T57 VanDerWaalsContact CA-O 3.27Å; S6-T57 WeakPolarHBondContact CA-O 3.36Å |
| 7 | V | 98.4 | Very high | 84.7 | Confident | 9 Ų | 9 | 61.5 Ų | 61.5 | 6% | 0.055 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 144.3 | 178.8 | -63.6 | 0 | 0 | 0 | 0 | 110.2 | L5 F9 R33 F35 T57 I59 | L5-V7 HydrophobicContact CD2-CG1 4.23Å; L5-V7 HydrophobicContact CG-CG1 3.99Å; V7-F9 HydrophobicContact CB-CD1 4.37Å; V7-F9 HydrophobicContact CG2-CD1 3.79Å; V7-F9 HydrophobicContact CG2-CE1 3.84Å; V7-R33 CarbonylContact C-O 3.56Å; V7-R33 VanDerWaalsContact CA-O 3.29Å; V7-R33 WeakPolarHBondContact CA-O 3.46Å; V7-F35 HydrophobicContact CB-CE1 4.05Å; V7-F35 HydrophobicContact CG1-CE1 4.25Å; V7-T57 PolarHBondContact N-O 3.39Å; V7-I59 WeakPolarHBondContact O-CB 3.25Å; V7-I59 PolarHBondContact O-N 3.3Å |
| 8 | V | 98.8 | Very high | 85.4 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 12% | 0.121 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.5 | 171.9 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | T22 R33 V34 F35 I59 | V8-T22 HydrophobicContact CG1-CG2 3.96Å; V8-R33 PolarHBondContact N-O 2.9Å; V8-V34 HydrophobicContact CB-CG1 4.4Å; V8-V34 HydrophobicContact CB-CG2 4.35Å; V8-V34 VanDerWaalsContact O-CA 3.27Å; V8-V34 WeakPolarHBondContact O-CA 3.43Å; V8-F35 PolarHBondContact O-N 3.48Å; V8-F35 VanDerWaalsContact O-N 3.12Å; V8-I59 WeakPolarHBondContact CA-O 3.36Å; V8-I59 HydrophobicContact CG2-CB 4.13Å; V8-I59 HydrophobicContact CG2-CD1 4.17Å; V8-I59 HydrophobicContact CG2-CG2 4.45Å |
| 9 | F | 98.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 154.2 | -177.7 | 58.4 | -90 | 0 | 0 | 0 | 111.3 | V7 F35 T37 I44 F47 A58 I59 A60 E61 | V7-F9 HydrophobicContact CB-CD1 4.37Å; V7-F9 HydrophobicContact CG2-CD1 3.79Å; V7-F9 HydrophobicContact CG2-CE1 3.84Å; F9-F35 VanDerWaalsContact CA-O 3.3Å; F9-F35 WeakPolarHBondContact CA-O 3.47Å; F9-F35 HydrophobicContact CB-CD2 3.73Å; F9-F35 HydrophobicContact CB-CE1 4.29Å; F9-F35 HydrophobicContact CB-CE2 3.36Å; F9-F35 HydrophobicContact CB-CG 4.34Å; F9-F35 HydrophobicContact CB-CZ 3.68Å; F9-F35 HydrophobicContact CD1-CE2 4.46Å; F9-F35 HydrophobicContact CD1-CZ 4.07Å; F9-F35 HydrophobicContact CG-CE2 4.01Å; F9-F35 HydrophobicContact CG-CZ 4.08Å; F9-T37 HydrophobicContact CB-CG2 4.06Å; F9-T37 HydrophobicContact CD2-CG2 4Å; F9-T37 HydrophobicContact CG-CG2 4.48Å; F9-I44 HydrophobicContact CD2-CG2 4.2Å; F9-I44 HydrophobicContact CE2-CG2 4Å; F9-I44 WeakPolarHBondContact CE2-O 3.11Å; F9-F47 HydrophobicContact CD1-CD1 4.36Å; F9-F47 HydrophobicContact CD1-CE1 4.07Å; F9-F47 AromaticContact CD2-CD1 3.87Å; F9-F47 HydrophobicContact CD2-CD1 3.87Å; F9-F47 HydrophobicContact CD2-CE1 4.26Å; F9-F47 HydrophobicContact CE1-CD1 4.22Å; F9-F47 HydrophobicContact CE1-CE1 4.17Å; F9-F47 AromaticContact CE2-CD1 3.72Å; F9-F47 HydrophobicContact CE2-CD1 3.72Å; F9-F47 HydrophobicContact CE2-CE1 4.37Å; F9-F47 HydrophobicContact CG-CD1 4.22Å; F9-F47 HydrophobicContact CG-CE1 4.13Å; F9-F47 AromaticContact CZ-CD1 3.92Å; F9-F47 HydrophobicContact CZ-CD1 3.92Å; F9-F47 HydrophobicContact CZ-CE1 4.34Å; F9-A58 HydrophobicContact CE1-CB 3.89Å; F9-A58 HydrophobicContact CZ-CB 4.13Å; F9-I59 PolarHBondContact N-O 3.09Å; F9-I59 VanDerWaalsContact N-O 3.13Å; F9-A60 HydrophobicContact CD2-CB 4.36Å; F9-A60 HydrophobicContact CE2-CB 3.55Å; F9-A60 HydrophobicContact CZ-CB 3.7Å; F9-A60 CarbonylContact O-C 3.49Å; F9-A60 WeakPolarHBondContact O-CA 3.42Å; F9-E61 PolarHBondContact O-N 2.76Å |
| 10 | G | 98.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.4 | -173 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | D12 N36 T37 | G10-D12 PolarHBondContact O-N 3.29Å; G10-N36 CarbonylContact O-C 3.08Å; G10-N36 VanDerWaalsContact O-CA 3.3Å; G10-N36 WeakPolarHBondContact O-CA 3.29Å; G10-T37 WeakPolarHBondContact CA-OG1 3.36Å; G10-T37 PolarHBondContact O-N 3.27Å; G10-T37 PolarHBondContact O-OG1 2.93Å |
| 11 | E | 98.8 | Very high | 87.3 | Confident | 15 Ų | 15 | 66 Ų | 66 | 7% | 0.07 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | 129.6 | 175 | -71.1 | 161.9 | -152 | 0 | 0 | 109.9 | V13 L39 C40 I44 | E11-V13 PolarHBondContact O-N 3.28Å; E11-L39 HydrophobicContact CG-CB 4.48Å; E11-L39 HydrophobicContact CG-CG 4.31Å; E11-L39 VanDerWaalsContact OE1-CA 3.32Å; E11-L39 WeakPolarHBondContact OE1-CA 3.43Å; E11-C40 PolarHBondContact OE1-N 3.13Å; E11-I44 HydrophobicContact CG-CD1 4.15Å |
| 12 | D | 98.5 | Very high | 90.5 | Very high | 64 Ų | 64 | 55.5 Ų | 55.5 | 34% | 0.342 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 8 | 170.6 | -65.7 | -48 | 0 | 0 | 0 | 117.3 | G10 A14 F15 G17 V18 N36 Q63 | G10-D12 PolarHBondContact O-N 3.29Å; D12-A14 VanDerWaalsContact C-N 3.27Å; D12-A14 PolarHBondContact O-N 3.39Å; D12-F15 HydrophobicContact CB-CD1 4.25Å; D12-F15 HydrophobicContact CB-CE1 3.58Å; D12-F15 HydrophobicContact CB-CZ 4.42Å; D12-F15 VanDerWaalsContact O-CD1 3.22Å; D12-F15 WeakPolarHBondContact O-CD1 3.3Å; D12-F15 WeakPolarHBondContact O-CE1 3.42Å; D12-G17 VanDerWaalsContact O-CA 3.28Å; D12-G17 WeakPolarHBondContact O-CA 3.5Å; D12-G17 PolarHBondContact O-N 3.47Å; D12-V18 HydrophobicContact CB-CG1 4.33Å; D12-N36 VanDerWaalsContact C-OD1 3.31Å; D12-N36 WeakPolarHBondContact CA-OD1 3.47Å; D12-N36 PolarHBondContact N-OD1 3.24Å; D12-Q63 PolarHBondContact OD2-NE2 2.91Å |
| 13 | V | 98.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -24.4 | -177.7 | -58.7 | 0 | 0 | 0 | 0 | 113.9 | E11 G16 T22 V34 F35 N36 E61 | E11-V13 PolarHBondContact O-N 3.28Å; V13-G16 PolarHBondContact O-N 3.41Å; V13-T22 HydrophobicContact CB-CG2 4.38Å; V13-T22 PolarHBondContact O-OG1 3.32Å; V13-V34 HydrophobicContact CG2-CG1 4.44Å; V13-F35 WeakPolarHBondContact CG2-O 3.44Å; V13-N36 PolarHBondContact N-OD1 3.23Å; V13-N36 VanDerWaalsContact N-OD1 3.07Å; V13-E61 HydrophobicContact CG1-CB 3.76Å; V13-E61 HydrophobicContact CG1-CG 4.32Å |
| 14 | A | 98.1 | Very high | 96.1 | Very high | 17 Ų | 17 | 44 Ų | 44 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -47.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | D12 G16 N36 | D12-A14 VanDerWaalsContact C-N 3.27Å; D12-A14 PolarHBondContact O-N 3.39Å; A14-G16 PolarHBondContact O-N 3.11Å; A14-N36 WeakPolarHBondContact CB-OD1 3.16Å; A14-N36 PolarHBondContact N-OD1 2.9Å |
| 15 | F | 97.4 | Very high | 97.8 | Very high | 136 Ų | 136 | 43.3 Ų | 43.3 | 60% | 0.596 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -5.3 | 179.9 | 81.5 | -95.7 | 0 | 0 | 0 | 112.8 | D12 | D12-F15 HydrophobicContact CB-CD1 4.25Å; D12-F15 HydrophobicContact CB-CE1 3.58Å; D12-F15 HydrophobicContact CB-CZ 4.42Å; D12-F15 VanDerWaalsContact O-CD1 3.22Å; D12-F15 WeakPolarHBondContact O-CD1 3.3Å; D12-F15 WeakPolarHBondContact O-CE1 3.42Å |
| 16 | G | 97.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 123.6 | -0.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | V13 A14 R20 C21 T22 | V13-G16 PolarHBondContact O-N 3.41Å; A14-G16 PolarHBondContact O-N 3.11Å; G16-R20 CarbonylContact O-C 3.55Å; G16-R20 WeakPolarHBondContact O-CA 3.45Å; G16-C21 PolarHBondContact O-N 3.48Å; G16-C21 VanDerWaalsContact O-N 3.16Å; G16-T22 VanDerWaalsContact CA-OG1 3.27Å; G16-T22 WeakPolarHBondContact CA-OG1 3.38Å; G16-T22 PolarHBondContact O-N 3.15Å; G16-T22 PolarHBondContact O-OG1 2.75Å; G16-T22 VanDerWaalsContact O-OG1 3.08Å |
| 17 | G | 97.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | trans | 78.3 | 157.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | D12 F19 R20 T22 | D12-G17 VanDerWaalsContact O-CA 3.28Å; D12-G17 WeakPolarHBondContact O-CA 3.5Å; D12-G17 PolarHBondContact O-N 3.47Å; G17-F19 PolarHBondContact O-N 2.84Å; G17-R20 PolarHBondContact O-N 3.44Å; G17-T22 PolarHBondContact N-OG1 3.22Å | ||
| 18 | V | 98 | Very high | 98.3 | Very high | 61 Ų | 61 | 53.6 Ų | 53.6 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -24.4 | -177.3 | -60.2 | 0 | 0 | 0 | 0 | 113.1 | D12 Q63 F64 | D12-V18 HydrophobicContact CB-CG1 4.33Å; V18-Q63 HydrophobicContact CG1-CG 4.39Å; V18-Q63 HydrophobicContact CG2-CG 3.65Å; V18-F64 HydrophobicContact CG2-CE2 4.46Å |
| 19 | F | 98.1 | Very high | 98.2 | Very high | 56 Ų | 56 | 57.6 Ų | 57.6 | 25% | 0.246 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | 6.4 | 173.5 | -70.6 | -72.4 | 0 | 0 | 0 | 114.6 | G17 C21 F64 P100 K156 Y159 | G17-F19 PolarHBondContact O-N 2.84Å; F19-C21 VanDerWaalsContact C-N 3.25Å; F19-C21 PolarHBondContact O-N 3.03Å; F19-F64 HydrophobicContact CE2-CD1 4.34Å; F19-F64 AromaticContact CE2-CE1 3.61Å; F19-F64 HydrophobicContact CE2-CE1 3.61Å; F19-F64 HydrophobicContact CE2-CE2 4.04Å; F19-F64 AromaticContact CE2-CZ 3.42Å; F19-F64 HydrophobicContact CE2-CZ 3.42Å; F19-F64 VanDerWaalsContact CE2-CZ 3.42Å; F19-F64 HydrophobicContact CZ-CD1 4.48Å; F19-F64 AromaticContact CZ-CE1 3.46Å; F19-F64 HydrophobicContact CZ-CE1 3.46Å; F19-F64 VanDerWaalsContact CZ-CE1 3.46Å; F19-F64 HydrophobicContact CZ-CE2 4.46Å; F19-F64 AromaticContact CZ-CZ 3.44Å; F19-F64 HydrophobicContact CZ-CZ 3.44Å; F19-F64 VanDerWaalsContact CZ-CZ 3.44Å; F19-P100 HydrophobicContact CD2-CB 4.08Å; F19-P100 HydrophobicContact CD2-CG 3.59Å; F19-P100 HydrophobicContact CE2-CB 3.79Å; F19-P100 HydrophobicContact CE2-CG 3.69Å; F19-P100 HydrophobicContact CZ-CB 4.48Å; F19-K156 HydrophobicContact CE1-CB 4.45Å; F19-K156 HydrophobicContact CZ-CB 4.39Å; F19-K156 HydrophobicContact CZ-CD 4.23Å; F19-Y159 HydrophobicContact CB-CD2 3.97Å; F19-Y159 HydrophobicContact CB-CE2 3.69Å; F19-Y159 AromaticContact CD1-CD2 3.52Å; F19-Y159 HydrophobicContact CD1-CD2 3.52Å; F19-Y159 AromaticContact CD1-CE2 3.66Å; F19-Y159 HydrophobicContact CD1-CE2 3.66Å; F19-Y159 AromaticContact CD2-CE2 3.91Å; F19-Y159 HydrophobicContact CD2-CE2 3.91Å; F19-Y159 HydrophobicContact CE1-CD2 4.16Å; F19-Y159 HydrophobicContact CE1-CE2 4.26Å; F19-Y159 HydrophobicContact CE2-CE2 4.49Å; F19-Y159 AromaticContact CG-CD2 3.78Å; F19-Y159 HydrophobicContact CG-CD2 3.78Å; F19-Y159 AromaticContact CG-CE2 3.46Å; F19-Y159 HydrophobicContact CG-CE2 3.46Å; F19-Y159 VanDerWaalsContact CG-CE2 3.46Å |
| 20 | R | 98 | Very high | 98.2 | Very high | 177 Ų | 177 | 59.1 Ų | 59.1 | 67% | 0.668 | 30% | 0.304 | S | S | * | . | S | Bend | trans | 65.6 | 17.7 | -177.1 | -59.7 | -174.3 | 174.6 | -169.5 | -3.8 | 115.4 | G16 G17 T22 V23 | G16-R20 CarbonylContact O-C 3.55Å; G16-R20 WeakPolarHBondContact O-CA 3.45Å; G17-R20 PolarHBondContact O-N 3.44Å; R20-T22 VanDerWaalsContact C-N 3.27Å; R20-T22 PolarHBondContact O-N 3.31Å; R20-V23 HydrophobicContact CB-CG2 3.64Å; R20-V23 HydrophobicContact CG-CG2 4.03Å; R20-V23 WeakPolarHBondContact O-CG2 3.31Å |
| 21 | C | 98.5 | Very high | 98.1 | Very high | 47 Ų | 47 | 65.5 Ų | 65.5 | 32% | 0.318 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -21.5 | -176.7 | -63.7 | 0 | 0 | 0 | 0 | 114.2 | G16 F19 R98 Y159 | G16-C21 PolarHBondContact O-N 3.48Å; G16-C21 VanDerWaalsContact O-N 3.16Å; F19-C21 VanDerWaalsContact C-N 3.25Å; F19-C21 PolarHBondContact O-N 3.03Å; C21-R98 VanDerWaalsContact CB-NH2 3.28Å; C21-Y159 VanDerWaalsContact SG-CE1 3.58Å |
| 22 | T | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 71.6 Ų | 71.6 | 2% | 0.018 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.7 | 13.6 | -176.6 | 56.1 | 0 | 0 | 0 | 0 | 113.3 | V8 V13 G16 G17 R20 G24 L25 | V8-T22 HydrophobicContact CG1-CG2 3.96Å; V13-T22 HydrophobicContact CB-CG2 4.38Å; V13-T22 PolarHBondContact O-OG1 3.32Å; G16-T22 VanDerWaalsContact CA-OG1 3.27Å; G16-T22 WeakPolarHBondContact CA-OG1 3.38Å; G16-T22 PolarHBondContact O-N 3.15Å; G16-T22 PolarHBondContact O-OG1 2.75Å; G16-T22 VanDerWaalsContact O-OG1 3.08Å; G17-T22 PolarHBondContact N-OG1 3.22Å; R20-T22 VanDerWaalsContact C-N 3.27Å; R20-T22 PolarHBondContact O-N 3.31Å; T22-G24 PolarHBondContact O-N 3.42Å; T22-L25 HydrophobicContact CG2-CD1 4.14Å; T22-L25 WeakPolarHBondContact O-CB 3.3Å; T22-L25 WeakPolarHBondContact O-CG 3.17Å; T22-L25 PolarHBondContact O-N 3.02Å; T22-L25 VanDerWaalsContact O-N 3.14Å |
| 23 | V | 98.4 | Very high | 98 | Very high | 85 Ų | 85 | 72.4 Ų | 72.4 | 52% | 0.515 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 131.9 | -178.3 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | R20 L25 | R20-V23 HydrophobicContact CB-CG2 3.64Å; R20-V23 HydrophobicContact CG-CG2 4.03Å; R20-V23 WeakPolarHBondContact O-CG2 3.31Å; V23-L25 PolarHBondContact O-N 3.12Å; V23-L25 VanDerWaalsContact O-N 3.16Å |
| 24 | G | 98.2 | Very high | 97.9 | Very high | 34 Ų | 34 | 72.6 Ų | 72.6 | 35% | 0.351 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | -2.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T22 K28 | T22-G24 PolarHBondContact O-N 3.42Å; G24-K28 VanDerWaalsContact O-CB 3.31Å; G24-K28 WeakPolarHBondContact O-CB 3.26Å; G24-K28 PolarHBondContact O-N 2.89Å |
| 25 | L | 98.4 | Very high | 98 | Very high | 54 Ų | 54 | 74.2 Ų | 74.2 | 28% | 0.283 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.2 | -40.6 | 178.3 | -62.4 | -175 | 0 | 0 | 0 | 111.7 | T22 V23 K28 Y29 V34 | T22-L25 HydrophobicContact CG2-CD1 4.14Å; T22-L25 WeakPolarHBondContact O-CB 3.3Å; T22-L25 WeakPolarHBondContact O-CG 3.17Å; T22-L25 PolarHBondContact O-N 3.02Å; T22-L25 VanDerWaalsContact O-N 3.14Å; V23-L25 PolarHBondContact O-N 3.12Å; V23-L25 VanDerWaalsContact O-N 3.16Å; L25-K28 PolarHBondContact O-N 3.02Å; L25-Y29 HydrophobicContact CB-CD2 4.41Å; L25-Y29 HydrophobicContact CD2-CD2 4.34Å; L25-Y29 HydrophobicContact CD2-CE2 4.02Å; L25-Y29 WeakPolarHBondContact O-CB 3.31Å; L25-Y29 WeakPolarHBondContact O-CD2 3.46Å; L25-Y29 PolarHBondContact O-N 2.91Å; L25-V34 HydrophobicContact CB-CG1 4.45Å; L25-V34 HydrophobicContact CB-CG2 3.9Å |
| 26 | Q | 98.2 | Very high | 98 | Very high | 56 Ų | 56 | 71.4 Ų | 71.4 | 26% | 0.262 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 177.7 | -173.4 | 177.4 | 82 | 0 | 0 | 111.5 | K28 Y29 G30 V34 | Q26-K28 PolarHBondContact O-N 3.45Å; Q26-Y29 PolarHBondContact O-N 3.15Å; Q26-G30 CarbonylContact O-C 3.58Å; Q26-G30 VanDerWaalsContact O-CA 3.23Å; Q26-G30 WeakPolarHBondContact O-CA 3.31Å; Q26-G30 PolarHBondContact O-N 3.27Å; Q26-V34 HydrophobicContact CB-CB 3.94Å; Q26-V34 HydrophobicContact CB-CG1 4.1Å; Q26-V34 HydrophobicContact CG-CB 4.39Å; Q26-V34 PolarHBondContact NE2-O 3.47Å |
| 27 | D | 98.3 | Very high | 98.1 | Very high | 147 Ų | 147 | 72.6 Ų | 72.6 | 79% | 0.786 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.5 | -38.1 | 177.3 | -61.8 | -31.9 | 0 | 0 | 0 | 111.9 | ||
| 28 | K | 98.1 | Very high | 98.1 | Very high | 151 Ų | 151 | 77.7 Ų | 77.7 | 66% | 0.657 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -78 | -37.6 | -177.7 | -175.1 | 175.2 | 180 | -173.3 | 0 | 113.8 | G24 L25 Q26 | G24-K28 VanDerWaalsContact O-CB 3.31Å; G24-K28 WeakPolarHBondContact O-CB 3.26Å; G24-K28 PolarHBondContact O-N 2.89Å; L25-K28 PolarHBondContact O-N 3.02Å; Q26-K28 PolarHBondContact O-N 3.45Å |
| 29 | Y | 97.5 | Very high | 98.2 | Very high | 104 Ų | 104 | 81.3 Ų | 81.3 | 41% | 0.408 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -114.7 | -8 | -169.8 | -63.6 | -67.1 | 0 | 0 | 0 | 114.6 | L25 Q26 R33 | L25-Y29 HydrophobicContact CB-CD2 4.41Å; L25-Y29 HydrophobicContact CD2-CD2 4.34Å; L25-Y29 HydrophobicContact CD2-CE2 4.02Å; L25-Y29 WeakPolarHBondContact O-CB 3.31Å; L25-Y29 WeakPolarHBondContact O-CD2 3.46Å; L25-Y29 PolarHBondContact O-N 2.91Å; Q26-Y29 PolarHBondContact O-N 3.15Å; Y29-R33 WeakPolarHBondContact O-CD 3.39Å |
| 30 | G | 97.5 | Very high | 98.2 | Very high | 32 Ų | 32 | 80.9 Ų | 80.9 | 33% | 0.33 | 42% | 0.417 | S | S | . | . | trans | 90.3 | 155.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q26 E32 R33 V34 | Q26-G30 CarbonylContact O-C 3.58Å; Q26-G30 VanDerWaalsContact O-CA 3.23Å; Q26-G30 WeakPolarHBondContact O-CA 3.31Å; Q26-G30 PolarHBondContact O-N 3.27Å; G30-E32 PolarHBondContact O-N 3.18Å; G30-R33 PolarHBondContact O-N 2.78Å; G30-V34 PolarHBondContact O-N 2.76Å; G30-V34 VanDerWaalsContact O-N 3.17Å | ||
| 31 | Q | 97.5 | Very high | 98.2 | Very high | 133 Ų | 133 | 73.7 Ų | 73.7 | 62% | 0.621 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -28 | 179 | 69.3 | -174.8 | 9.7 | 0 | 0 | 113.6 | R33 F35 | Q31-R33 PolarHBondContact O-N 3.43Å; Q31-F35 WeakPolarHBondContact O-CB 3.43Å |
| 32 | E | 96.7 | Very high | 98.3 | Very high | 144 Ų | 144 | 77 Ų | 77 | 67% | 0.673 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -15.6 | 177.2 | -57.3 | -58.7 | 152.3 | 0 | 0 | 112.9 | G30 | G30-E32 PolarHBondContact O-N 3.18Š|
| 33 | R | 97.5 | Very high | 98.3 | Very high | 81 Ų | 81 | 78.5 Ų | 78.5 | 31% | 0.306 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -23 | -177.9 | -64 | -165.3 | 65.7 | -164.7 | -1.5 | 113.8 | S6 V7 V8 Y29 G30 Q31 | S6-R33 VanDerWaalsContact O-CZ 3.3Å; S6-R33 PolarHBondContact O-NE 3.06Å; S6-R33 PolarHBondContact O-NH2 2.78Å; V7-R33 CarbonylContact C-O 3.56Å; V7-R33 VanDerWaalsContact CA-O 3.29Å; V7-R33 WeakPolarHBondContact CA-O 3.46Å; V8-R33 PolarHBondContact N-O 2.9Å; Y29-R33 WeakPolarHBondContact O-CD 3.39Å; G30-R33 PolarHBondContact O-N 2.78Å; Q31-R33 PolarHBondContact O-N 3.43Å |
| 34 | V | 98.6 | Very high | 98.3 | Very high | 4 Ų | 4 | 74.6 Ų | 74.6 | 2% | 0.024 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 106.8 | 176.6 | -173.9 | 0 | 0 | 0 | 0 | 107.3 | V8 V13 L25 Q26 G30 | V8-V34 HydrophobicContact CB-CG1 4.4Å; V8-V34 HydrophobicContact CB-CG2 4.35Å; V8-V34 VanDerWaalsContact O-CA 3.27Å; V8-V34 WeakPolarHBondContact O-CA 3.43Å; V13-V34 HydrophobicContact CG2-CG1 4.44Å; L25-V34 HydrophobicContact CB-CG1 4.45Å; L25-V34 HydrophobicContact CB-CG2 3.9Å; Q26-V34 HydrophobicContact CB-CB 3.94Å; Q26-V34 HydrophobicContact CB-CG1 4.1Å; Q26-V34 HydrophobicContact CG-CB 4.39Å; Q26-V34 PolarHBondContact NE2-O 3.47Å; G30-V34 PolarHBondContact O-N 2.76Å; G30-V34 VanDerWaalsContact O-N 3.17Å |
| 35 | F | 98.7 | Very high | 98.3 | Very high | 50 Ų | 50 | 73 Ų | 73 | 22% | 0.219 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 150.7 | -172.2 | 51.6 | -89.4 | 0 | 0 | 0 | 113.3 | V7 V8 F9 V13 Q31 F47 | V7-F35 HydrophobicContact CB-CE1 4.05Å; V7-F35 HydrophobicContact CG1-CE1 4.25Å; V8-F35 PolarHBondContact O-N 3.48Å; V8-F35 VanDerWaalsContact O-N 3.12Å; F9-F35 VanDerWaalsContact CA-O 3.3Å; F9-F35 WeakPolarHBondContact CA-O 3.47Å; F9-F35 HydrophobicContact CB-CD2 3.73Å; F9-F35 HydrophobicContact CB-CE1 4.29Å; F9-F35 HydrophobicContact CB-CE2 3.36Å; F9-F35 HydrophobicContact CB-CG 4.34Å; F9-F35 HydrophobicContact CB-CZ 3.68Å; F9-F35 HydrophobicContact CD1-CE2 4.46Å; F9-F35 HydrophobicContact CD1-CZ 4.07Å; F9-F35 HydrophobicContact CG-CE2 4.01Å; F9-F35 HydrophobicContact CG-CZ 4.08Å; V13-F35 WeakPolarHBondContact CG2-O 3.44Å; Q31-F35 WeakPolarHBondContact O-CB 3.43Å; F35-F47 AromaticContact CE2-CE1 3.92Å; F35-F47 HydrophobicContact CE2-CE1 3.92Å; F35-F47 HydrophobicContact CE2-CZ 4.07Å; F35-F47 AromaticContact CZ-CE1 3.77Å; F35-F47 HydrophobicContact CZ-CE1 3.77Å; F35-F47 AromaticContact CZ-CZ 3.92Å; F35-F47 HydrophobicContact CZ-CZ 3.92Å |
| 36 | N | 98.8 | Very high | 98.3 | Very high | 77 Ų | 77 | 71.6 Ų | 71.6 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 144.4 | 173.4 | -71 | -9.8 | 0 | 0 | 0 | 111 | G10 D12 V13 A14 | G10-N36 CarbonylContact O-C 3.08Å; G10-N36 VanDerWaalsContact O-CA 3.3Å; G10-N36 WeakPolarHBondContact O-CA 3.29Å; D12-N36 VanDerWaalsContact C-OD1 3.31Å; D12-N36 WeakPolarHBondContact CA-OD1 3.47Å; D12-N36 PolarHBondContact N-OD1 3.24Å; V13-N36 PolarHBondContact N-OD1 3.23Å; V13-N36 VanDerWaalsContact N-OD1 3.07Å; A14-N36 WeakPolarHBondContact CB-OD1 3.16Å; A14-N36 PolarHBondContact N-OD1 2.9Å |
| 37 | T | 98.8 | Very high | 98.4 | Very high | 26 Ų | 26 | 73.9 Ų | 73.9 | 16% | 0.16 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -98.5 | 164.5 | 166.9 | 57.5 | 0 | 0 | 0 | 0 | 110.6 | F9 G10 I44 | F9-T37 HydrophobicContact CB-CG2 4.06Å; F9-T37 HydrophobicContact CD2-CG2 4Å; F9-T37 HydrophobicContact CG-CG2 4.48Å; G10-T37 WeakPolarHBondContact CA-OG1 3.36Å; G10-T37 PolarHBondContact O-N 3.27Å; G10-T37 PolarHBondContact O-OG1 2.93Å; T37-I44 HydrophobicContact CG2-CG1 4.11Å; T37-I44 WeakPolarHBondContact OG1-CD1 3.34Å; T37-I44 VanDerWaalsContact OG1-CG1 3.29Å; T37-I44 WeakPolarHBondContact OG1-CG1 3.41Å |
| 38 | P | 98.7 | Very high | 98.4 | Very high | 109 Ų | 109 | 66.9 Ų | 66.9 | 71% | 0.708 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 156.8 | 157.3 | -22 | 34.2 | 0 | 0 | 0 | 111.1 | C40 | P38-C40 PolarHBondContact O-N 3.33Š|
| 39 | L | 98.7 | Very high | 98.4 | Very high | 138 Ų | 138 | 60 Ų | 60 | 72% | 0.723 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -75.7 | 85.5 | -180 | -159.2 | 172.6 | 0 | 0 | 0 | 109.8 | E11 | E11-L39 HydrophobicContact CG-CB 4.48Å; E11-L39 HydrophobicContact CG-CG 4.31Å; E11-L39 VanDerWaalsContact OE1-CA 3.32Å; E11-L39 WeakPolarHBondContact OE1-CA 3.43Å |
| 40 | C | 98.8 | Very high | 98.5 | Very high | 47 Ų | 47 | 56.5 Ų | 56.5 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | trans | -167 | 96.4 | -172 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | E11 P38 Q42 G43 I44 | E11-C40 PolarHBondContact OE1-N 3.13Å; P38-C40 PolarHBondContact O-N 3.33Å; C40-Q42 PolarHBondContact O-N 3.39Å; C40-Q42 WeakPolarHBondContact SG-CG 3.48Å; C40-G43 CarbonylContact O-C 3.51Å; C40-G43 WeakPolarHBondContact O-CA 3.29Å; C40-G43 PolarHBondContact O-N 3.38Å; C40-I44 WeakPolarHBondContact O-CG1 3.33Å; C40-I44 PolarHBondContact O-N 3.24Å | ||
| 41 | E | 98.8 | Very high | 98.5 | Very high | 25 Ų | 25 | 55.9 Ų | 55.9 | 12% | 0.117 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.9 | -36.9 | -172.9 | -64 | 87.9 | 169.3 | 0 | 0 | 113.4 | G43 I44 A45 I62 Y67 P70 A71 | E41-G43 PolarHBondContact O-N 3.42Å; E41-I44 PolarHBondContact O-N 3.06Å; E41-A45 PolarHBondContact O-N 3.12Å; E41-I62 HydrophobicContact CB-CD1 3.8Å; E41-I62 HydrophobicContact CG-CD1 3.88Å; E41-I62 HydrophobicContact CG-CG2 4.28Å; E41-Y67 VanDerWaalsContact CG-O 3.32Å; E41-Y67 WeakPolarHBondContact CG-O 3.39Å; E41-P70 HydrophobicContact CB-CB 4.3Å; E41-A71 HydrophobicContact CB-CB 4.29Å; E41-A71 WeakPolarHBondContact O-CB 3.3Å |
| 42 | Q | 98.8 | Very high | 98.5 | Very high | 116 Ų | 116 | 49.8 Ų | 49.8 | 54% | 0.542 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.3 | -35.8 | 172.2 | 63.4 | 177.4 | 87.1 | 0 | 0 | 111.9 | C40 G46 P70 | C40-Q42 PolarHBondContact O-N 3.39Å; C40-Q42 WeakPolarHBondContact SG-CG 3.48Å; Q42-G46 PolarHBondContact O-N 3.02Å; Q42-P70 WeakPolarHBondContact CB-O 3.48Å |
| 43 | G | 98.8 | Very high | 98.5 | Very high | 36 Ų | 36 | 45.1 Ų | 45.1 | 37% | 0.371 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -69 | -43.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | C40 E41 G46 F47 | C40-G43 CarbonylContact O-C 3.51Å; C40-G43 WeakPolarHBondContact O-CA 3.29Å; C40-G43 PolarHBondContact O-N 3.38Å; E41-G43 PolarHBondContact O-N 3.42Å; G43-G46 PolarHBondContact O-N 2.86Å; G43-F47 WeakPolarHBondContact O-CB 3.48Å; G43-F47 PolarHBondContact O-N 3.44Å |
| 44 | I | 98.9 | Very high | 98.4 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.3 | -51.7 | 175.6 | -67 | 169.2 | 0 | 0 | 0 | 110.5 | F9 E11 T37 C40 E41 G48 A60 I62 | F9-I44 HydrophobicContact CD2-CG2 4.2Å; F9-I44 HydrophobicContact CE2-CG2 4Å; F9-I44 WeakPolarHBondContact CE2-O 3.11Å; E11-I44 HydrophobicContact CG-CD1 4.15Å; T37-I44 HydrophobicContact CG2-CG1 4.11Å; T37-I44 WeakPolarHBondContact OG1-CD1 3.34Å; T37-I44 VanDerWaalsContact OG1-CG1 3.29Å; T37-I44 WeakPolarHBondContact OG1-CG1 3.41Å; C40-I44 WeakPolarHBondContact O-CG1 3.33Å; C40-I44 PolarHBondContact O-N 3.24Å; E41-I44 PolarHBondContact O-N 3.06Å; I44-G48 PolarHBondContact O-N 3.45Å; I44-A60 HydrophobicContact CG2-CB 3.89Å; I44-I62 HydrophobicContact CB-CD1 4.21Å; I44-I62 HydrophobicContact CD1-CD1 4.38Å; I44-I62 HydrophobicContact CG2-CD1 3.94Å |
| 45 | A | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.3 | -47.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E41 F47 G48 I49 A71 Q74 I75 | E41-A45 PolarHBondContact O-N 3.12Å; A45-F47 VanDerWaalsContact C-N 3.35Å; A45-F47 PolarHBondContact O-N 3.34Å; A45-G48 PolarHBondContact O-N 3.27Å; A45-I49 VanDerWaalsContact O-CG1 3.3Å; A45-I49 WeakPolarHBondContact O-CG1 3.47Å; A45-I49 PolarHBondContact O-N 2.87Å; A45-A71 HydrophobicContact CB-CB 3.69Å; A45-Q74 HydrophobicContact CB-CB 3.85Å; A45-I75 HydrophobicContact CB-CG1 4.37Å |
| 46 | G | 98.9 | Very high | 98.1 | Very high | 23 Ų | 23 | 47.6 Ų | 47.6 | 24% | 0.237 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -41.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q42 G43 I49 G50 | Q42-G46 PolarHBondContact O-N 3.02Å; G43-G46 PolarHBondContact O-N 2.86Å; G46-I49 PolarHBondContact O-N 2.98Å; G46-G50 PolarHBondContact O-N 2.78Å |
| 47 | F | 98.8 | Very high | 98 | Very high | 105 Ų | 105 | 44.9 Ų | 44.9 | 46% | 0.461 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 174.4 | 177.6 | -91.9 | 0 | 0 | 0 | 111.5 | F9 F35 G43 A45 I49 G50 A51 | F9-F47 HydrophobicContact CD1-CD1 4.36Å; F9-F47 HydrophobicContact CD1-CE1 4.07Å; F9-F47 AromaticContact CD2-CD1 3.87Å; F9-F47 HydrophobicContact CD2-CD1 3.87Å; F9-F47 HydrophobicContact CD2-CE1 4.26Å; F9-F47 HydrophobicContact CE1-CD1 4.22Å; F9-F47 HydrophobicContact CE1-CE1 4.17Å; F9-F47 AromaticContact CE2-CD1 3.72Å; F9-F47 HydrophobicContact CE2-CD1 3.72Å; F9-F47 HydrophobicContact CE2-CE1 4.37Å; F9-F47 HydrophobicContact CG-CD1 4.22Å; F9-F47 HydrophobicContact CG-CE1 4.13Å; F9-F47 AromaticContact CZ-CD1 3.92Å; F9-F47 HydrophobicContact CZ-CD1 3.92Å; F9-F47 HydrophobicContact CZ-CE1 4.34Å; F35-F47 AromaticContact CE2-CE1 3.92Å; F35-F47 HydrophobicContact CE2-CE1 3.92Å; F35-F47 HydrophobicContact CE2-CZ 4.07Å; F35-F47 AromaticContact CZ-CE1 3.77Å; F35-F47 HydrophobicContact CZ-CE1 3.77Å; F35-F47 AromaticContact CZ-CZ 3.92Å; F35-F47 HydrophobicContact CZ-CZ 3.92Å; G43-F47 WeakPolarHBondContact O-CB 3.48Å; G43-F47 PolarHBondContact O-N 3.44Å; A45-F47 VanDerWaalsContact C-N 3.35Å; A45-F47 PolarHBondContact O-N 3.34Å; F47-I49 VanDerWaalsContact C-N 3.33Å; F47-I49 PolarHBondContact O-N 3.42Å; F47-G50 PolarHBondContact O-N 3.06Å; F47-A51 PolarHBondContact O-N 2.64Å |
| 48 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61 | -40.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | I44 A45 A51 A52 A58 | I44-G48 PolarHBondContact O-N 3.45Å; A45-G48 PolarHBondContact O-N 3.27Å; G48-A51 PolarHBondContact O-N 2.83Å; G48-A52 WeakPolarHBondContact O-CB 3.48Å; G48-A52 PolarHBondContact O-N 2.78Å; G48-A58 WeakPolarHBondContact O-CB 3.45Å |
| 49 | I | 98.8 | Very high | 98 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -49.5 | 173.2 | -67.6 | 161.5 | 0 | 0 | 0 | 110.2 | A45 G46 F47 A51 A52 L53 Q74 E78 A79 Y82 C92 L95 | A45-I49 VanDerWaalsContact O-CG1 3.3Å; A45-I49 WeakPolarHBondContact O-CG1 3.47Å; A45-I49 PolarHBondContact O-N 2.87Å; G46-I49 PolarHBondContact O-N 2.98Å; F47-I49 VanDerWaalsContact C-N 3.33Å; F47-I49 PolarHBondContact O-N 3.42Å; I49-A51 PolarHBondContact O-N 2.71Å; I49-A52 PolarHBondContact O-N 2.83Å; I49-L53 HydrophobicContact CG2-CD1 3.82Å; I49-L53 HydrophobicContact CG2-CG 4.44Å; I49-L53 WeakPolarHBondContact O-CD1 3.48Å; I49-L53 VanDerWaalsContact O-CG 3.25Å; I49-L53 WeakPolarHBondContact O-CG 3.2Å; I49-L53 PolarHBondContact O-N 2.83Å; I49-Q74 HydrophobicContact CD1-CB 4.07Å; I49-Q74 VanDerWaalsContact CD1-O 3.31Å; I49-Q74 WeakPolarHBondContact CD1-O 3.5Å; I49-E78 HydrophobicContact CD1-CB 3.98Å; I49-A79 HydrophobicContact CD1-CB 3.81Å; I49-A79 HydrophobicContact CG1-CB 3.91Å; I49-Y82 HydrophobicContact CG2-CD2 3.67Å; I49-Y82 HydrophobicContact CG2-CE2 3.44Å; I49-Y82 VanDerWaalsContact CG2-CE2 3.44Å; I49-C92 HydrophobicContact CG2-CB 4.13Å; I49-L95 HydrophobicContact CG1-CD2 3.68Å |
| 50 | G | 98.5 | Very high | 98 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 33% | 0.33 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -54.8 | -49.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | G46 F47 A52 L53 C54 | G46-G50 PolarHBondContact O-N 2.78Å; F47-G50 PolarHBondContact O-N 3.06Å; G50-A52 PolarHBondContact O-N 3.2Å; G50-L53 WeakPolarHBondContact O-CB 3.45Å; G50-L53 PolarHBondContact O-N 3.47Å; G50-C54 PolarHBondContact O-N 2.77Å; G50-C54 PolarHBondContact O-SG 2.74Å |
| 51 | A | 97.8 | Very high | 98.1 | Very high | 18 Ų | 18 | 30.7 Ų | 30.7 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.4 | -44.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | F47 G48 I49 L53 C54 G55 A56 A58 | F47-A51 PolarHBondContact O-N 2.64Å; G48-A51 PolarHBondContact O-N 2.83Å; I49-A51 PolarHBondContact O-N 2.71Å; A51-L53 VanDerWaalsContact C-N 3.34Å; A51-L53 PolarHBondContact O-N 2.79Å; A51-C54 PolarHBondContact O-N 3.34Å; A51-G55 PolarHBondContact O-N 2.95Å; A51-A56 HydrophobicContact CB-CB 4.31Å; A51-A56 VanDerWaalsContact O-CB 3.29Å; A51-A56 WeakPolarHBondContact O-CB 3.47Å; A51-A56 PolarHBondContact O-N 2.55Å; A51-A56 VanDerWaalsContact O-N 3.11Å; A51-A58 HydrophobicContact CB-CB 4.06Å |
| 52 | A | 98 | Very high | 98.1 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.6 | -36 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G48 I49 G50 C54 G55 A56 A58 C92 L95 | G48-A52 WeakPolarHBondContact O-CB 3.48Å; G48-A52 PolarHBondContact O-N 2.78Å; I49-A52 PolarHBondContact O-N 2.83Å; G50-A52 PolarHBondContact O-N 3.2Å; A52-C54 VanDerWaalsContact C-N 3.28Å; A52-C54 PolarHBondContact O-N 2.77Å; A52-G55 PolarHBondContact O-N 2.68Å; A52-A56 WeakPolarHBondContact CA-O 3.39Å; A52-A58 HydrophobicContact CB-CB 4.35Å; A52-C92 HydrophobicContact CB-CB 3.9Å; A52-L95 HydrophobicContact CB-CB 4.01Å |
| 53 | L | 96.5 | Very high | 98 | Very high | 47 Ų | 47 | 25.4 Ų | 25.4 | 25% | 0.246 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.5 | -33.9 | 174.1 | -71.1 | 159.8 | 0 | 0 | 0 | 112.7 | I49 G50 A51 G55 Y82 F90 N91 C92 | I49-L53 HydrophobicContact CG2-CD1 3.82Å; I49-L53 HydrophobicContact CG2-CG 4.44Å; I49-L53 WeakPolarHBondContact O-CD1 3.48Å; I49-L53 VanDerWaalsContact O-CG 3.25Å; I49-L53 WeakPolarHBondContact O-CG 3.2Å; I49-L53 PolarHBondContact O-N 2.83Å; G50-L53 WeakPolarHBondContact O-CB 3.45Å; G50-L53 PolarHBondContact O-N 3.47Å; A51-L53 VanDerWaalsContact C-N 3.34Å; A51-L53 PolarHBondContact O-N 2.79Å; L53-G55 PolarHBondContact O-N 2.83Å; L53-Y82 HydrophobicContact CD1-CD1 4.46Å; L53-Y82 HydrophobicContact CD1-CD2 4.5Å; L53-Y82 HydrophobicContact CD1-CE1 3.69Å; L53-Y82 HydrophobicContact CD1-CE2 3.74Å; L53-Y82 VanDerWaalsContact CD1-OH 3.24Å; L53-Y82 WeakPolarHBondContact CD1-OH 3.18Å; L53-Y82 HydrophobicContact CD2-CD1 3.54Å; L53-Y82 HydrophobicContact CD2-CE1 3.33Å; L53-Y82 HydrophobicContact CD2-CG 4.23Å; L53-Y82 HydrophobicContact CG-CE1 4.13Å; L53-F90 HydrophobicContact CD2-CB 3.93Å; L53-N91 WeakPolarHBondContact CD2-O 3.28Å; L53-C92 HydrophobicContact CG-CB 4.48Å |
| 54 | C | 96.1 | Very high | 98 | Very high | 118 Ų | 118 | 24.8 Ų | 24.8 | 80% | 0.797 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 3.6 | 173.5 | -64.5 | 0 | 0 | 0 | 0 | 113.3 | G50 A51 A52 | G50-C54 PolarHBondContact O-N 2.77Å; G50-C54 PolarHBondContact O-SG 2.74Å; A51-C54 PolarHBondContact O-N 3.34Å; A52-C54 VanDerWaalsContact C-N 3.28Å; A52-C54 PolarHBondContact O-N 2.77Å |
| 55 | G | 92.8 | Very high | 98 | Very high | 56 Ų | 56 | 24.6 Ų | 24.6 | 58% | 0.577 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 8.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | A51 A52 L53 | A51-G55 PolarHBondContact O-N 2.95Å; A52-G55 PolarHBondContact O-N 2.68Å; L53-G55 PolarHBondContact O-N 2.83Å |
| 56 | A | 96.3 | Very high | 98 | Very high | 13 Ų | 13 | 25 Ų | 25 | 11% | 0.107 | 17% | 0.166 | C | C | . | . | trans | -75.2 | 155.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | L5 A51 A52 | L5-A56 WeakPolarHBondContact O-CA 3.2Å; L5-A56 WeakPolarHBondContact O-CB 3.16Å; A51-A56 HydrophobicContact CB-CB 4.31Å; A51-A56 VanDerWaalsContact O-CB 3.29Å; A51-A56 WeakPolarHBondContact O-CB 3.47Å; A51-A56 PolarHBondContact O-N 2.55Å; A51-A56 VanDerWaalsContact O-N 3.11Å; A52-A56 WeakPolarHBondContact CA-O 3.39Å | ||
| 57 | T | 98.4 | Very high | 98 | Very high | 20 Ų | 20 | 27 Ų | 27 | 12% | 0.123 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 103.3 | 164.3 | -59.5 | 0 | 0 | 0 | 0 | 107.7 | L5 S6 V7 I59 G94 I144 | L5-T57 PolarHBondContact O-N 3.16Å; S6-T57 CarbonylContact C-O 3.6Å; S6-T57 VanDerWaalsContact CA-O 3.27Å; S6-T57 WeakPolarHBondContact CA-O 3.36Å; V7-T57 PolarHBondContact N-O 3.39Å; T57-I59 HydrophobicContact CG2-CD1 4.48Å; T57-I59 HydrophobicContact CG2-CG1 4.26Å; T57-G94 CarbonylContact C-O 3.52Å; T57-G94 WeakPolarHBondContact CA-O 3.42Å; T57-I144 HydrophobicContact CG2-CG2 3.58Å |
| 58 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 112.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | F9 G48 A51 A52 G94 L95 T96 | F9-A58 HydrophobicContact CE1-CB 3.89Å; F9-A58 HydrophobicContact CZ-CB 4.13Å; G48-A58 WeakPolarHBondContact O-CB 3.45Å; A51-A58 HydrophobicContact CB-CB 4.06Å; A52-A58 HydrophobicContact CB-CB 4.35Å; A58-G94 PolarHBondContact N-O 3.44Å; A58-L95 HydrophobicContact CB-CD1 4.01Å; A58-L95 CarbonylContact O-C 3.57Å; A58-L95 WeakPolarHBondContact O-CA 3.26Å; A58-T96 PolarHBondContact O-N 2.92Å |
| 59 | I | 98.9 | Very high | 98 | Very high | 18 Ų | 18 | 25 Ų | 25 | 9% | 0.092 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 90.9 | 179.8 | -51.7 | 169.1 | 0 | 0 | 0 | 108.1 | V7 V8 F9 T57 T96 R98 I144 | V7-I59 WeakPolarHBondContact O-CB 3.25Å; V7-I59 PolarHBondContact O-N 3.3Å; V8-I59 WeakPolarHBondContact CA-O 3.36Å; V8-I59 HydrophobicContact CG2-CB 4.13Å; V8-I59 HydrophobicContact CG2-CD1 4.17Å; V8-I59 HydrophobicContact CG2-CG2 4.45Å; F9-I59 PolarHBondContact N-O 3.09Å; F9-I59 VanDerWaalsContact N-O 3.13Å; T57-I59 HydrophobicContact CG2-CD1 4.48Å; T57-I59 HydrophobicContact CG2-CG1 4.26Å; I59-T96 CarbonylContact C-O 3.51Å; I59-T96 WeakPolarHBondContact CA-O 3.24Å; I59-R98 HydrophobicContact CG2-CG 4.28Å; I59-I144 HydrophobicContact CD1-CD1 3.76Å; I59-I144 HydrophobicContact CD1-CG1 4.05Å; I59-I144 HydrophobicContact CD1-CG2 4.2Å; I59-I144 HydrophobicContact CG1-CD1 4.39Å; I59-I144 HydrophobicContact CG1-CG1 4.2Å |
| 60 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 134.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F9 I44 L95 T96 I97 R98 | F9-A60 HydrophobicContact CD2-CB 4.36Å; F9-A60 HydrophobicContact CE2-CB 3.55Å; F9-A60 HydrophobicContact CZ-CB 3.7Å; F9-A60 CarbonylContact O-C 3.49Å; F9-A60 WeakPolarHBondContact O-CA 3.42Å; I44-A60 HydrophobicContact CG2-CB 3.89Å; A60-L95 HydrophobicContact CB-CD1 4.47Å; A60-T96 PolarHBondContact N-O 2.69Å; A60-I97 HydrophobicContact CB-CG1 4.25Å; A60-I97 CarbonylContact O-C 3.54Å; A60-I97 WeakPolarHBondContact O-CA 3.42Å; A60-R98 VanDerWaalsContact O-CG 3.3Å; A60-R98 WeakPolarHBondContact O-CG 3.39Å; A60-R98 PolarHBondContact O-N 3.42Å |
| 61 | E | 99 | Very high | 98 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.019 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 128.4 | 166.1 | -173.1 | 173.8 | 113.4 | 0 | 0 | 110 | F9 V13 R98 | F9-E61 PolarHBondContact O-N 2.76Å; V13-E61 HydrophobicContact CG1-CB 3.76Å; V13-E61 HydrophobicContact CG1-CG 4.32Å; E61-R98 WeakPolarHBondContact CA-O 2.98Å; E61-R98 IonicContact OE2-CZ 3.12Å; E61-R98 IonicContact OE2-NH1 3.57Å; E61-R98 PolarHBondContact OE2-NH1 3.09Å; E61-R98 IonicContact OE2-NH2 3.39Å |
| 62 | I | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -103.9 | 123.1 | 161.8 | -62.2 | -63.6 | 0 | 0 | 0 | 106.7 | E41 I44 F64 I68 I97 R98 A99 P100 | E41-I62 HydrophobicContact CB-CD1 3.8Å; E41-I62 HydrophobicContact CG-CD1 3.88Å; E41-I62 HydrophobicContact CG-CG2 4.28Å; I44-I62 HydrophobicContact CB-CD1 4.21Å; I44-I62 HydrophobicContact CD1-CD1 4.38Å; I44-I62 HydrophobicContact CG2-CD1 3.94Å; I62-F64 VanDerWaalsContact C-N 3.26Å; I62-F64 WeakPolarHBondContact CG2-O 3.29Å; I62-F64 PolarHBondContact O-N 2.97Å; I62-F64 VanDerWaalsContact O-N 3.15Å; I62-I68 HydrophobicContact CG1-CG1 4.29Å; I62-I68 HydrophobicContact CG2-CB 4.09Å; I62-I68 HydrophobicContact CG2-CG1 4.35Å; I62-I97 HydrophobicContact CG1-CG2 3.72Å; I62-R98 PolarHBondContact N-O 3.38Å; I62-A99 HydrophobicContact CB-CB 4.1Å; I62-A99 WeakPolarHBondContact O-CA 3.45Å; I62-P100 VanDerWaalsContact O-CD 3.24Å; I62-P100 WeakPolarHBondContact O-CD 3.27Å |
| 63 | Q | 98.6 | Very high | 98.1 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 13% | 0.131 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -63.4 | -30.7 | -161.1 | -162.1 | 174.3 | 94.4 | 0 | 0 | 113.6 | D12 V18 P100 | D12-Q63 PolarHBondContact OD2-NE2 2.91Å; V18-Q63 HydrophobicContact CG1-CG 4.39Å; V18-Q63 HydrophobicContact CG2-CG 3.65Å; Q63-P100 WeakPolarHBondContact O-CD 3.29Å; Q63-P100 VanDerWaalsContact O-CG 3.27Å; Q63-P100 WeakPolarHBondContact O-CG 3.43Å |
| 64 | F | 98.7 | Very high | 98.2 | Very high | 23 Ų | 23 | 33.2 Ų | 33.2 | 10% | 0.101 | 19% | 0.192 | C | C | . | . | trans | -142 | 142.9 | 165.9 | -73.2 | -98.3 | 0 | 0 | 0 | 109.1 | V18 F19 I62 D66 Y67 H111 K156 | V18-F64 HydrophobicContact CG2-CE2 4.46Å; F19-F64 HydrophobicContact CE2-CD1 4.34Å; F19-F64 AromaticContact CE2-CE1 3.61Å; F19-F64 HydrophobicContact CE2-CE1 3.61Å; F19-F64 HydrophobicContact CE2-CE2 4.04Å; F19-F64 AromaticContact CE2-CZ 3.42Å; F19-F64 HydrophobicContact CE2-CZ 3.42Å; F19-F64 VanDerWaalsContact CE2-CZ 3.42Å; F19-F64 HydrophobicContact CZ-CD1 4.48Å; F19-F64 AromaticContact CZ-CE1 3.46Å; F19-F64 HydrophobicContact CZ-CE1 3.46Å; F19-F64 VanDerWaalsContact CZ-CE1 3.46Å; F19-F64 HydrophobicContact CZ-CE2 4.46Å; F19-F64 AromaticContact CZ-CZ 3.44Å; F19-F64 HydrophobicContact CZ-CZ 3.44Å; F19-F64 VanDerWaalsContact CZ-CZ 3.44Å; I62-F64 VanDerWaalsContact C-N 3.26Å; I62-F64 WeakPolarHBondContact CG2-O 3.29Å; I62-F64 PolarHBondContact O-N 2.97Å; I62-F64 VanDerWaalsContact O-N 3.15Å; F64-D66 HydrophobicContact CB-CB 4.28Å; F64-D66 PolarHBondContact O-N 3.23Å; F64-D66 VanDerWaalsContact O-N 3.09Å; F64-Y67 HydrophobicContact CB-CD2 3.77Å; F64-Y67 HydrophobicContact CB-CE2 3.85Å; F64-Y67 HydrophobicContact CB-CG 4.23Å; F64-Y67 HydrophobicContact CD2-CD2 4.09Å; F64-Y67 AromaticContact CD2-CE2 3.56Å; F64-Y67 HydrophobicContact CD2-CE2 3.56Å; F64-Y67 HydrophobicContact CG-CD2 4.37Å; F64-Y67 HydrophobicContact CG-CE2 4.02Å; F64-Y67 WeakPolarHBondContact O-CA 3.47Å; F64-Y67 PolarHBondContact O-N 2.87Å; F64-H111 HydrophobicContact CD1-CB 3.98Å; F64-H111 AromaticContact CD1-CD2 3.62Å; F64-H111 AromaticContact CD2-CD2 3.95Å; F64-H111 HydrophobicContact CE1-CB 3.92Å; F64-H111 AromaticContact CE1-CD2 3.42Å; F64-H111 VanDerWaalsContact CE1-CD2 3.42Å; F64-H111 WeakPolarHBondContact CE1-CD2 3.44Å; F64-H111 AromaticContact CE2-CD2 3.79Å; F64-H111 AromaticContact CG-CD2 3.9Å; F64-H111 AromaticContact CZ-CD2 3.52Å; F64-K156 HydrophobicContact CD1-CD 4.22Å; F64-K156 HydrophobicContact CE1-CD 4Å | ||
| 65 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -59.1 | -24.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y67 I68 A99 P100 C101 P115 L153 | A65-Y67 PolarHBondContact O-N 3.4Å; A65-I68 WeakPolarHBondContact O-CB 3.45Å; A65-I68 WeakPolarHBondContact O-CG2 3.42Å; A65-I68 PolarHBondContact O-N 3.04Å; A65-A99 HydrophobicContact CB-CB 4.03Å; A65-P100 WeakPolarHBondContact CB-O 3.3Å; A65-P100 PolarHBondContact N-O 3.01Å; A65-C101 HydrophobicContact CB-CB 3.7Å; A65-P115 HydrophobicContact CB-CG 3.88Å; A65-L153 HydrophobicContact CB-CD2 4.15Å |
| 66 | D | 98.7 | Very high | 98.7 | Very high | 10 Ų | 10 | 25.9 Ų | 25.9 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | G | 310 helix | trans | -59 | -27.8 | 170.6 | -53.1 | -110.1 | 0 | 0 | 0 | 113.1 | F64 Y110 H111 S112 Q113 K156 | F64-D66 HydrophobicContact CB-CB 4.28Å; F64-D66 PolarHBondContact O-N 3.23Å; F64-D66 VanDerWaalsContact O-N 3.09Å; D66-Y110 VanDerWaalsContact CB-O 3.22Å; D66-Y110 WeakPolarHBondContact CB-O 3.42Å; D66-Y110 VanDerWaalsContact CG-O 3.27Å; D66-Y110 WeakPolarHBondContact OD1-CA 3.27Å; D66-H111 WeakPolarHBondContact OD1-CA 3.39Å; D66-H111 PolarHBondContact OD1-N 2.98Å; D66-H111 WeakPolarHBondContact OD2-CA 3.22Å; D66-S112 PolarHBondContact OD1-N 3.32Å; D66-S112 PolarHBondContact OD2-N 3.43Å; D66-Q113 HydrophobicContact CB-CB 4.47Å; D66-Q113 VanDerWaalsContact OD1-CB 3.3Å; D66-Q113 WeakPolarHBondContact OD1-CB 3.33Å; D66-Q113 WeakPolarHBondContact OD1-CG 3.5Å; D66-Q113 PolarHBondContact OD1-N 3.49Å; D66-Q113 PolarHBondContact OD1-NE2 2.79Å; D66-K156 IonicContact OD2-NZ 3.42Å |
| 67 | Y | 98.7 | Very high | 98.8 | Very high | 65 Ų | 65 | 28.7 Ų | 28.7 | 26% | 0.255 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -100.4 | 9.8 | -178.6 | -49.2 | -30.8 | 0 | 0 | 0 | 112.9 | E41 F64 A65 M69 P70 Y110 H111 | E41-Y67 VanDerWaalsContact CG-O 3.32Å; E41-Y67 WeakPolarHBondContact CG-O 3.39Å; F64-Y67 HydrophobicContact CB-CD2 3.77Å; F64-Y67 HydrophobicContact CB-CE2 3.85Å; F64-Y67 HydrophobicContact CB-CG 4.23Å; F64-Y67 HydrophobicContact CD2-CD2 4.09Å; F64-Y67 AromaticContact CD2-CE2 3.56Å; F64-Y67 HydrophobicContact CD2-CE2 3.56Å; F64-Y67 HydrophobicContact CG-CD2 4.37Å; F64-Y67 HydrophobicContact CG-CE2 4.02Å; F64-Y67 WeakPolarHBondContact O-CA 3.47Å; F64-Y67 PolarHBondContact O-N 2.87Å; A65-Y67 PolarHBondContact O-N 3.4Å; Y67-M69 VanDerWaalsContact C-N 3.26Å; Y67-M69 PolarHBondContact O-N 3.26Å; Y67-P70 WeakPolarHBondContact O-CD 3.46Å; Y67-Y110 WeakPolarHBondContact CE1-O 3.32Å; Y67-Y110 PolarHBondContact OH-O 3.26Å; Y67-H111 PolarHBondContact OH-CD2 2.95Å; Y67-H111 PolarHBondContact OH-NE2 3.43Å |
| 68 | I | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -75.8 | -16.8 | 178.6 | -157 | 164 | 0 | 0 | 0 | 112.8 | I62 A65 A71 F72 I75 I97 P115 F119 I151 | I62-I68 HydrophobicContact CG1-CG1 4.29Å; I62-I68 HydrophobicContact CG2-CB 4.09Å; I62-I68 HydrophobicContact CG2-CG1 4.35Å; A65-I68 WeakPolarHBondContact O-CB 3.45Å; A65-I68 WeakPolarHBondContact O-CG2 3.42Å; A65-I68 PolarHBondContact O-N 3.04Å; I68-A71 WeakPolarHBondContact O-CA 3.26Å; I68-A71 WeakPolarHBondContact O-CB 3.33Å; I68-A71 PolarHBondContact O-N 2.92Å; I68-F72 PolarHBondContact O-N 2.84Å; I68-I75 HydrophobicContact CD1-CD1 3.99Å; I68-I75 HydrophobicContact CG1-CD1 3.72Å; I68-I97 HydrophobicContact CD1-CG2 4.31Å; I68-P115 HydrophobicContact CG2-CG 4.41Å; I68-F119 HydrophobicContact CB-CZ 4.43Å; I68-F119 HydrophobicContact CD1-CE2 4.01Å; I68-F119 HydrophobicContact CD1-CZ 3.85Å; I68-F119 HydrophobicContact CG1-CE2 4.44Å; I68-F119 HydrophobicContact CG1-CZ 3.94Å; I68-F119 HydrophobicContact CG2-CE2 3.69Å; I68-F119 HydrophobicContact CG2-CZ 3.65Å; I68-I151 HydrophobicContact CD1-CG2 4.36Å | ||
| 69 | M | 98.7 | Very high | 98.8 | Very high | 63 Ų | 63 | 30.4 Ų | 30.4 | 31% | 0.31 | 15% | 0.153 | S | C | . | . | G | 310 helix | trans | -65.4 | -35.3 | -172.5 | -61.5 | -55.5 | 176 | 0 | 0 | 115 | Y67 A71 F72 P115 F118 | Y67-M69 VanDerWaalsContact C-N 3.26Å; Y67-M69 PolarHBondContact O-N 3.26Å; M69-A71 PolarHBondContact O-N 2.73Å; M69-F72 WeakPolarHBondContact O-CB 3.39Å; M69-F72 PolarHBondContact O-N 3.46Å; M69-F72 HydrophobicContact SD-CD2 4.06Å; M69-P115 HydrophobicContact CE-CB 3.72Å; M69-F118 HydrophobicContact CE-CD2 3.51Å; M69-F118 HydrophobicContact CE-CE2 3.82Å; M69-F118 HydrophobicContact CE-CG 4.14Å |
| 70 | P | 98.8 | Very high | 98.8 | Very high | 67 Ų | 67 | 30 Ų | 30 | 44% | 0.435 | 15% | 0.152 | S | C | . | . | G | 310 helix | trans | -57.3 | -31.5 | 168.4 | -22.8 | 34.1 | 0 | 0 | 0 | 112.9 | E41 Q42 Y67 F72 | E41-P70 HydrophobicContact CB-CB 4.3Å; Q42-P70 WeakPolarHBondContact CB-O 3.48Å; Y67-P70 WeakPolarHBondContact O-CD 3.46Å; P70-F72 VanDerWaalsContact C-N 3.3Å; P70-F72 PolarHBondContact O-N 2.81Å |
| 71 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -82.3 | -1.5 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | E41 A45 I68 M69 D73 Q74 I75 | E41-A71 HydrophobicContact CB-CB 4.29Å; E41-A71 WeakPolarHBondContact O-CB 3.3Å; A45-A71 HydrophobicContact CB-CB 3.69Å; I68-A71 WeakPolarHBondContact O-CA 3.26Å; I68-A71 WeakPolarHBondContact O-CB 3.33Å; I68-A71 PolarHBondContact O-N 2.92Å; M69-A71 PolarHBondContact O-N 2.73Å; A71-D73 VanDerWaalsContact C-N 3.33Å; A71-D73 PolarHBondContact O-N 3.4Å; A71-Q74 PolarHBondContact O-N 3Å; A71-Q74 VanDerWaalsContact O-N 3.16Å; A71-I75 HydrophobicContact CB-CD1 3.89Å; A71-I75 HydrophobicContact CB-CG1 4.38Å; A71-I75 VanDerWaalsContact O-CG1 3.32Å; A71-I75 WeakPolarHBondContact O-CG1 3.33Å; A71-I75 PolarHBondContact O-N 3.3Å |
| 72 | F | 98.9 | Very high | 98.8 | Very high | 66 Ų | 66 | 36 Ų | 36 | 29% | 0.289 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -59 | -40.6 | -170.1 | -165.2 | -97.4 | 0 | 0 | 0 | 113.2 | I68 M69 P70 I75 V76 F118 F119 | I68-F72 PolarHBondContact O-N 2.84Å; M69-F72 WeakPolarHBondContact O-CB 3.39Å; M69-F72 PolarHBondContact O-N 3.46Å; M69-F72 HydrophobicContact SD-CD2 4.06Å; P70-F72 VanDerWaalsContact C-N 3.3Å; P70-F72 PolarHBondContact O-N 2.81Å; F72-I75 PolarHBondContact O-N 3.19Å; F72-V76 HydrophobicContact CD1-CB 4.43Å; F72-V76 HydrophobicContact CD1-CG2 3.99Å; F72-V76 HydrophobicContact CD2-CG2 4.2Å; F72-V76 HydrophobicContact CE1-CB 4.24Å; F72-V76 HydrophobicContact CE1-CG2 3.67Å; F72-V76 HydrophobicContact CE2-CG2 3.88Å; F72-V76 HydrophobicContact CG-CG2 4.25Å; F72-V76 HydrophobicContact CZ-CG2 3.62Å; F72-V76 WeakPolarHBondContact O-CB 3.4Å; F72-V76 WeakPolarHBondContact O-CG2 3.37Å; F72-V76 PolarHBondContact O-N 2.96Å; F72-F118 HydrophobicContact CE2-CB 3.88Å; F72-F118 HydrophobicContact CZ-CB 4.35Å; F72-F119 HydrophobicContact CD2-CD1 4.3Å; F72-F119 AromaticContact CD2-CE1 3.53Å; F72-F119 HydrophobicContact CD2-CE1 3.53Å; F72-F119 AromaticContact CD2-CZ 3.82Å; F72-F119 HydrophobicContact CD2-CZ 3.82Å; F72-F119 AromaticContact CE2-CD1 3.98Å; F72-F119 HydrophobicContact CE2-CD1 3.98Å; F72-F119 AromaticContact CE2-CE1 3.67Å; F72-F119 HydrophobicContact CE2-CE1 3.67Å; F72-F119 HydrophobicContact CE2-CZ 4.12Å |
| 73 | D | 98.9 | Very high | 98.8 | Very high | 90 Ų | 90 | 39.3 Ų | 39.3 | 48% | 0.481 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 177.5 | -178 | 64.3 | 0 | 0 | 0 | 112.1 | A71 I75 V76 N77 E78 | A71-D73 VanDerWaalsContact C-N 3.33Å; A71-D73 PolarHBondContact O-N 3.4Å; D73-I75 VanDerWaalsContact C-N 3.28Å; D73-I75 PolarHBondContact O-N 2.85Å; D73-V76 PolarHBondContact O-N 2.98Å; D73-N77 WeakPolarHBondContact O-CA 3.46Å; D73-N77 WeakPolarHBondContact O-CB 3.4Å; D73-N77 PolarHBondContact O-N 3.34Å; D73-N77 PolarHBondContact OD1-ND2 2.96Å; D73-E78 PolarHBondContact O-N 2.8Å |
| 74 | Q | 98.9 | Very high | 98.8 | Very high | 55 Ų | 55 | 48 Ų | 48 | 26% | 0.257 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -60.5 | -39.2 | 175 | -71.1 | -67.9 | -29.7 | 0 | 0 | 111.5 | A45 I49 A71 E78 A79 | A45-Q74 HydrophobicContact CB-CB 3.85Å; I49-Q74 HydrophobicContact CD1-CB 4.07Å; I49-Q74 VanDerWaalsContact CD1-O 3.31Å; I49-Q74 WeakPolarHBondContact CD1-O 3.5Å; A71-Q74 PolarHBondContact O-N 3Å; A71-Q74 VanDerWaalsContact O-N 3.16Å; Q74-E78 VanDerWaalsContact O-CB 3.27Å; Q74-E78 WeakPolarHBondContact O-CB 3.08Å; Q74-E78 PolarHBondContact O-N 3.4Å; Q74-A79 PolarHBondContact O-N 3.16Å |
| 75 | I | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -71.9 | -48.9 | -179.1 | -66.8 | 168.1 | 0 | 0 | 0 | 110.9 | A45 I68 A71 F72 D73 A79 A80 I97 F119 L125 I151 | A45-I75 HydrophobicContact CB-CG1 4.37Å; I68-I75 HydrophobicContact CD1-CD1 3.99Å; I68-I75 HydrophobicContact CG1-CD1 3.72Å; A71-I75 HydrophobicContact CB-CD1 3.89Å; A71-I75 HydrophobicContact CB-CG1 4.38Å; A71-I75 VanDerWaalsContact O-CG1 3.32Å; A71-I75 WeakPolarHBondContact O-CG1 3.33Å; A71-I75 PolarHBondContact O-N 3.3Å; F72-I75 PolarHBondContact O-N 3.19Å; D73-I75 VanDerWaalsContact C-N 3.28Å; D73-I75 PolarHBondContact O-N 2.85Å; I75-A79 WeakPolarHBondContact O-CB 3.33Å; I75-A80 WeakPolarHBondContact O-CB 3.32Å; I75-A80 PolarHBondContact O-N 3.4Å; I75-I97 HydrophobicContact CD1-CD1 3.85Å; I75-I97 HydrophobicContact CG1-CD1 3.66Å; I75-F119 HydrophobicContact CB-CE1 4.15Å; I75-F119 HydrophobicContact CD1-CE1 3.98Å; I75-F119 HydrophobicContact CD1-CZ 4.2Å; I75-F119 HydrophobicContact CG2-CD1 3.78Å; I75-F119 HydrophobicContact CG2-CE1 3.61Å; I75-L125 HydrophobicContact CG2-CD1 3.63Å; I75-L125 HydrophobicContact CG2-CD2 4.17Å; I75-I151 HydrophobicContact CG2-CD1 3.82Å |
| 76 | V | 98.9 | Very high | 98.8 | Very high | 20 Ų | 20 | 53.5 Ų | 53.5 | 12% | 0.121 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -86.8 | -41.6 | -169.3 | 174.2 | 0 | 0 | 0 | 0 | 112.8 | F72 D73 A80 K81 F119 A122 | F72-V76 HydrophobicContact CD1-CB 4.43Å; F72-V76 HydrophobicContact CD1-CG2 3.99Å; F72-V76 HydrophobicContact CD2-CG2 4.2Å; F72-V76 HydrophobicContact CE1-CB 4.24Å; F72-V76 HydrophobicContact CE1-CG2 3.67Å; F72-V76 HydrophobicContact CE2-CG2 3.88Å; F72-V76 HydrophobicContact CG-CG2 4.25Å; F72-V76 HydrophobicContact CZ-CG2 3.62Å; F72-V76 WeakPolarHBondContact O-CB 3.4Å; F72-V76 WeakPolarHBondContact O-CG2 3.37Å; F72-V76 PolarHBondContact O-N 2.96Å; D73-V76 PolarHBondContact O-N 2.98Å; V76-A80 WeakPolarHBondContact O-CB 3.28Å; V76-K81 PolarHBondContact O-NZ 2.63Å; V76-F119 HydrophobicContact CG2-CD1 4.35Å; V76-A122 HydrophobicContact CB-CB 4.39Å; V76-A122 HydrophobicContact CG1-CB 3.96Å; V76-A122 HydrophobicContact CG2-CB 3.93Å |
| 77 | N | 98.8 | Very high | 98.8 | Very high | 72 Ų | 72 | 56 Ų | 56 | 39% | 0.385 | 27% | 0.274 | S | S | . | . | I | π-helix | trans | -91.9 | -30.5 | -177.2 | -72.1 | -31.8 | 0 | 0 | 0 | 113.2 | D73 K81 | D73-N77 WeakPolarHBondContact O-CA 3.46Å; D73-N77 WeakPolarHBondContact O-CB 3.4Å; D73-N77 PolarHBondContact O-N 3.34Å; D73-N77 PolarHBondContact OD1-ND2 2.96Å; N77-K81 PolarHBondContact OD1-NZ 2.51Å |
| 78 | E | 98.9 | Very high | 98.7 | Very high | 53 Ų | 53 | 57.6 Ų | 57.6 | 25% | 0.248 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -97.1 | -69.2 | 179.1 | -58.3 | -66.6 | 120.9 | 0 | 0 | 111.6 | I49 D73 Q74 A80 K81 Y82 R85 | I49-E78 HydrophobicContact CD1-CB 3.98Å; D73-E78 PolarHBondContact O-N 2.8Å; Q74-E78 VanDerWaalsContact O-CB 3.27Å; Q74-E78 WeakPolarHBondContact O-CB 3.08Å; Q74-E78 PolarHBondContact O-N 3.4Å; E78-A80 PolarHBondContact O-N 3.29Å; E78-K81 PolarHBondContact O-N 3.15Å; E78-Y82 HydrophobicContact CB-CD2 4.45Å; E78-Y82 WeakPolarHBondContact O-CB 3.28Å; E78-Y82 WeakPolarHBondContact O-CD2 3.5Å; E78-Y82 PolarHBondContact O-N 2.9Å; E78-R85 IonicContact OE1-CZ 3.94Å; E78-R85 IonicContact OE1-NH1 2.58Å; E78-R85 PolarHBondContact OE1-NH1 3.43Å; E78-R85 IonicContact OE2-CZ 2.73Å; E78-R85 IonicContact OE2-NH1 2.8Å; E78-R85 PolarHBondContact OE2-NH1 3.09Å; E78-R85 IonicContact OE2-NH2 3.71Å; E78-R85 PolarHBondContact OE2-NH2 3.14Å |
| 79 | A | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 64.3 Ų | 64.3 | 3% | 0.025 | 32% | 0.322 | C | S | . | . | I | π-helix | trans | -59.2 | -53.9 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I49 Q74 I75 K81 Y82 C92 L95 P149 | I49-A79 HydrophobicContact CD1-CB 3.81Å; I49-A79 HydrophobicContact CG1-CB 3.91Å; Q74-A79 PolarHBondContact O-N 3.16Å; I75-A79 WeakPolarHBondContact O-CB 3.33Å; A79-K81 PolarHBondContact O-N 2.79Å; A79-Y82 PolarHBondContact O-N 3.01Å; A79-C92 PolarHBondContact O-SG 3.37Å; A79-C92 VanDerWaalsContact O-SG 3.34Å; A79-L95 HydrophobicContact CB-CD2 4.3Å; A79-P149 HydrophobicContact CB-CB 4.12Å; A79-P149 HydrophobicContact CB-CG 4.36Å |
| 80 | A | 98.8 | Very high | 98.7 | Very high | 8 Ų | 8 | 67.3 Ų | 67.3 | 7% | 0.066 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -34.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I75 V76 E78 P123 G124 L125 | I75-A80 WeakPolarHBondContact O-CB 3.32Å; I75-A80 PolarHBondContact O-N 3.4Å; V76-A80 WeakPolarHBondContact O-CB 3.28Å; E78-A80 PolarHBondContact O-N 3.29Å; A80-P123 WeakPolarHBondContact CB-O 3.16Å; A80-G124 WeakPolarHBondContact O-CA 3.43Å; A80-L125 HydrophobicContact CB-CD1 4.35Å; A80-L125 HydrophobicContact CB-CD2 3.6Å; A80-L125 HydrophobicContact CB-CG 3.6Å |
| 81 | K | 98.9 | Very high | 98.7 | Very high | 83 Ų | 83 | 66.6 Ų | 66.6 | 36% | 0.361 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -8.3 | -173.7 | -59.8 | -176.4 | 176.8 | 78.7 | 0 | 113.2 | V76 N77 E78 A79 R83 Y84 R85 | V76-K81 PolarHBondContact O-NZ 2.63Å; N77-K81 PolarHBondContact OD1-NZ 2.51Å; E78-K81 PolarHBondContact O-N 3.15Å; A79-K81 PolarHBondContact O-N 2.79Å; K81-R83 PolarHBondContact O-N 3.29Å; K81-Y84 PolarHBondContact O-N 2.9Å; K81-Y84 VanDerWaalsContact O-N 3.16Å; K81-R85 WeakPolarHBondContact O-CB 3.21Å; K81-R85 WeakPolarHBondContact O-CG 3.41Å; K81-R85 PolarHBondContact O-N 3.12Å |
| 82 | Y | 98.7 | Very high | 98.7 | Very high | 48 Ų | 48 | 66.7 Ų | 66.7 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.8 | -46.8 | -167 | -131.5 | -67.6 | 0 | 0 | 0 | 113.1 | I49 L53 E78 A79 R85 S86 F90 | I49-Y82 HydrophobicContact CG2-CD2 3.67Å; I49-Y82 HydrophobicContact CG2-CE2 3.44Å; I49-Y82 VanDerWaalsContact CG2-CE2 3.44Å; L53-Y82 HydrophobicContact CD1-CD1 4.46Å; L53-Y82 HydrophobicContact CD1-CD2 4.5Å; L53-Y82 HydrophobicContact CD1-CE1 3.69Å; L53-Y82 HydrophobicContact CD1-CE2 3.74Å; L53-Y82 VanDerWaalsContact CD1-OH 3.24Å; L53-Y82 WeakPolarHBondContact CD1-OH 3.18Å; L53-Y82 HydrophobicContact CD2-CD1 3.54Å; L53-Y82 HydrophobicContact CD2-CE1 3.33Å; L53-Y82 HydrophobicContact CD2-CG 4.23Å; L53-Y82 HydrophobicContact CG-CE1 4.13Å; E78-Y82 HydrophobicContact CB-CD2 4.45Å; E78-Y82 WeakPolarHBondContact O-CB 3.28Å; E78-Y82 WeakPolarHBondContact O-CD2 3.5Å; E78-Y82 PolarHBondContact O-N 2.9Å; A79-Y82 PolarHBondContact O-N 3.01Å; Y82-R85 PolarHBondContact OH-NH2 3.43Å; Y82-S86 PolarHBondContact O-N 2.88Å; Y82-S86 PolarHBondContact O-OG 2.91Å; Y82-F90 HydrophobicContact CD1-CB 4.33Å; Y82-F90 HydrophobicContact CE1-CB 4.32Å |
| 83 | R | 98.7 | Very high | 98.6 | Very high | 71 Ų | 71 | 63.6 Ų | 63.6 | 27% | 0.268 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.8 | -45.7 | 178.3 | -169 | -176.9 | -63.1 | -74.7 | -1.8 | 112 | K81 S86 G87 D88 F90 N91 K147 | K81-R83 PolarHBondContact O-N 3.29Å; R83-S86 PolarHBondContact O-OG 3.43Å; R83-G87 PolarHBondContact O-N 3.17Å; R83-D88 VanDerWaalsContact CD-OD1 3.31Å; R83-D88 WeakPolarHBondContact CD-OD1 3.19Å; R83-D88 HydrophobicContact CG-CB 4.36Å; R83-D88 WeakPolarHBondContact CG-OD1 3.33Å; R83-D88 IonicContact CZ-OD1 2.83Å; R83-D88 IonicContact NE-OD1 2.95Å; R83-D88 IonicContact NH1-OD1 2.63Å; R83-D88 PolarHBondContact NH1-OD1 3.36Å; R83-D88 PolarHBondContact O-N 3.2Å; R83-F90 WeakPolarHBondContact CA-O 3.26Å; R83-N91 HydrophobicContact CB-CB 4.08Å; R83-N91 HydrophobicContact CG-CB 4.16Å; R83-N91 VanDerWaalsContact CZ-CG 3.43Å; R83-N91 VanDerWaalsContact NH1-CB 3.33Å; R83-N91 PolarHBondContact NH1-ND2 2.74Å; R83-N91 PolarHBondContact NH2-OD1 2.65Å; R83-K147 PolarHBondContact NH2-O 2.95Å |
| 84 | Y | 98.8 | Very high | 98.5 | Very high | 210 Ų | 210 | 60 Ų | 60 | 82% | 0.824 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.3 | -50.5 | -177.5 | -177.8 | -94.9 | 0 | 0 | 0 | 111.6 | K81 S86 G87 | K81-Y84 PolarHBondContact O-N 2.9Å; K81-Y84 VanDerWaalsContact O-N 3.16Å; Y84-S86 PolarHBondContact O-N 2.84Å; Y84-G87 PolarHBondContact O-N 2.94Å; Y84-G87 VanDerWaalsContact O-N 3.08Å |
| 85 | R | 98.7 | Very high | 98.5 | Very high | 115 Ų | 115 | 57.5 Ų | 57.5 | 43% | 0.434 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.7 | -22.1 | -175.4 | 77.2 | -174.7 | -177.7 | 174.6 | 1.9 | 113.6 | E78 K81 Y82 | E78-R85 IonicContact OE1-CZ 3.94Å; E78-R85 IonicContact OE1-NH1 2.58Å; E78-R85 PolarHBondContact OE1-NH1 3.43Å; E78-R85 IonicContact OE2-CZ 2.73Å; E78-R85 IonicContact OE2-NH1 2.8Å; E78-R85 PolarHBondContact OE2-NH1 3.09Å; E78-R85 IonicContact OE2-NH2 3.71Å; E78-R85 PolarHBondContact OE2-NH2 3.14Å; K81-R85 WeakPolarHBondContact O-CB 3.21Å; K81-R85 WeakPolarHBondContact O-CG 3.41Å; K81-R85 PolarHBondContact O-N 3.12Å; Y82-R85 PolarHBondContact OH-NH2 3.43Å |
| 86 | S | 98.5 | Very high | 98.5 | Very high | 24 Ų | 24 | 57.5 Ų | 57.5 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -1 | 177.2 | 70.2 | 0 | 0 | 0 | 0 | 114 | Y82 R83 Y84 D88 L89 F90 | Y82-S86 PolarHBondContact O-N 2.88Å; Y82-S86 PolarHBondContact O-OG 2.91Å; R83-S86 PolarHBondContact O-OG 3.43Å; Y84-S86 PolarHBondContact O-N 2.84Å; S86-D88 VanDerWaalsContact C-N 3.26Å; S86-D88 PolarHBondContact O-N 3.38Å; S86-D88 PolarHBondContact OG-N 2.59Å; S86-L89 WeakPolarHBondContact O-CB 3.35Å; S86-L89 VanDerWaalsContact O-CG 3.29Å; S86-L89 WeakPolarHBondContact O-CG 3.47Å; S86-L89 PolarHBondContact O-N 3.38Å; S86-L89 PolarHBondContact OG-N 2.86Å; S86-F90 PolarHBondContact OG-N 3.34Å; S86-F90 PolarHBondContact OG-O 2.94Å |
| 87 | G | 98.2 | Very high | 98.5 | Very high | 62 Ų | 62 | 56.8 Ų | 56.8 | 64% | 0.639 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | 41.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R83 Y84 L89 | R83-G87 PolarHBondContact O-N 3.17Å; Y84-G87 PolarHBondContact O-N 2.94Å; Y84-G87 VanDerWaalsContact O-N 3.08Å; G87-L89 PolarHBondContact O-N 3.21Å; G87-L89 VanDerWaalsContact O-N 3.17Å |
| 88 | D | 98.2 | Very high | 98.5 | Very high | 98 Ų | 98 | 54 Ų | 54 | 52% | 0.524 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | 7.4 | -176.9 | -154.6 | 38.9 | 0 | 0 | 0 | 116.8 | R83 S86 F90 | R83-D88 VanDerWaalsContact CD-OD1 3.31Å; R83-D88 WeakPolarHBondContact CD-OD1 3.19Å; R83-D88 HydrophobicContact CG-CB 4.36Å; R83-D88 WeakPolarHBondContact CG-OD1 3.33Å; R83-D88 IonicContact CZ-OD1 2.83Å; R83-D88 IonicContact NE-OD1 2.95Å; R83-D88 IonicContact NH1-OD1 2.63Å; R83-D88 PolarHBondContact NH1-OD1 3.36Å; R83-D88 PolarHBondContact O-N 3.2Å; S86-D88 VanDerWaalsContact C-N 3.26Å; S86-D88 PolarHBondContact O-N 3.38Å; S86-D88 PolarHBondContact OG-N 2.59Å; D88-F90 PolarHBondContact O-N 2.6Å |
| 89 | L | 98.2 | Very high | 98.5 | Very high | 141 Ų | 141 | 51.5 Ų | 51.5 | 74% | 0.738 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -62.5 | -31.7 | 171.6 | -65.7 | 174.9 | 0 | 0 | 0 | 112.9 | S86 G87 | S86-L89 WeakPolarHBondContact O-CB 3.35Å; S86-L89 VanDerWaalsContact O-CG 3.29Å; S86-L89 WeakPolarHBondContact O-CG 3.47Å; S86-L89 PolarHBondContact O-N 3.38Å; S86-L89 PolarHBondContact OG-N 2.86Å; G87-L89 PolarHBondContact O-N 3.21Å; G87-L89 VanDerWaalsContact O-N 3.17Å |
| 90 | F | 98.1 | Very high | 98.5 | Very high | 127 Ų | 127 | 51.4 Ų | 51.4 | 56% | 0.557 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -136.7 | 150.6 | 177.2 | -61.9 | -77.6 | 0 | 0 | 0 | 110.5 | L53 Y82 R83 S86 D88 | L53-F90 HydrophobicContact CD2-CB 3.93Å; Y82-F90 HydrophobicContact CD1-CB 4.33Å; Y82-F90 HydrophobicContact CE1-CB 4.32Å; R83-F90 WeakPolarHBondContact CA-O 3.26Å; S86-F90 PolarHBondContact OG-N 3.34Å; S86-F90 PolarHBondContact OG-O 2.94Å; D88-F90 PolarHBondContact O-N 2.6Å |
| 91 | N | 98.3 | Very high | 98.5 | Very high | 52 Ų | 52 | 51 Ų | 51 | 28% | 0.278 | 25% | 0.25 | S | S | . | . | trans | -154.9 | 153.5 | 173 | 68.7 | 95.1 | 0 | 0 | 0 | 111.7 | L53 R83 G93 | L53-N91 WeakPolarHBondContact CD2-O 3.28Å; R83-N91 HydrophobicContact CB-CB 4.08Å; R83-N91 HydrophobicContact CG-CB 4.16Å; R83-N91 VanDerWaalsContact CZ-CG 3.43Å; R83-N91 VanDerWaalsContact NH1-CB 3.33Å; R83-N91 PolarHBondContact NH1-ND2 2.74Å; R83-N91 PolarHBondContact NH2-OD1 2.65Å; N91-G93 PolarHBondContact OD1-N 3.48Å; N91-G93 VanDerWaalsContact OD1-N 3.13Å | ||
| 92 | C | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | trans | -105.8 | 35 | 172 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | I49 A52 L53 A79 G94 L95 | I49-C92 HydrophobicContact CG2-CB 4.13Å; A52-C92 HydrophobicContact CB-CB 3.9Å; L53-C92 HydrophobicContact CG-CB 4.48Å; A79-C92 PolarHBondContact O-SG 3.37Å; A79-C92 VanDerWaalsContact O-SG 3.34Å; C92-G94 PolarHBondContact O-N 2.88Å; C92-G94 VanDerWaalsContact O-N 3.1Å; C92-L95 VanDerWaalsContact O-CB 3.27Å; C92-L95 WeakPolarHBondContact O-CB 3.38Å; C92-L95 PolarHBondContact O-N 3.01Å | ||
| 93 | G | 98 | Very high | 98.5 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -19.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N91 L95 K147 N148 | N91-G93 PolarHBondContact OD1-N 3.48Å; N91-G93 VanDerWaalsContact OD1-N 3.13Å; G93-L95 PolarHBondContact O-N 3.18Å; G93-K147 VanDerWaalsContact CA-C 3.47Å; G93-K147 WeakPolarHBondContact CA-O 3.33Å; G93-N148 PolarHBondContact O-N 3.35Å |
| 94 | G | 97.5 | Very high | 98.4 | Very high | 15 Ų | 15 | 44.7 Ų | 44.7 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 7.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T57 A58 C92 | T57-G94 CarbonylContact C-O 3.52Å; T57-G94 WeakPolarHBondContact CA-O 3.42Å; A58-G94 PolarHBondContact N-O 3.44Å; C92-G94 PolarHBondContact O-N 2.88Å; C92-G94 VanDerWaalsContact O-N 3.1Å |
| 95 | L | 98.8 | Very high | 98.3 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 127.9 | -179.7 | 178.7 | 61.8 | 0 | 0 | 0 | 111.8 | I49 A52 A58 A60 A79 C92 G93 I97 P149 C150 | I49-L95 HydrophobicContact CG1-CD2 3.68Å; A52-L95 HydrophobicContact CB-CB 4.01Å; A58-L95 HydrophobicContact CB-CD1 4.01Å; A58-L95 CarbonylContact O-C 3.57Å; A58-L95 WeakPolarHBondContact O-CA 3.26Å; A60-L95 HydrophobicContact CB-CD1 4.47Å; A79-L95 HydrophobicContact CB-CD2 4.3Å; C92-L95 VanDerWaalsContact O-CB 3.27Å; C92-L95 WeakPolarHBondContact O-CB 3.38Å; C92-L95 PolarHBondContact O-N 3.01Å; G93-L95 PolarHBondContact O-N 3.18Å; L95-I97 HydrophobicContact CD1-CG1 4.09Å; L95-I97 HydrophobicContact CD2-CD1 4.26Å; L95-I97 HydrophobicContact CD2-CG1 4.3Å; L95-I97 HydrophobicContact CG-CG1 4.12Å; L95-P149 HydrophobicContact CD2-CB 4.47Å; L95-P149 WeakPolarHBondContact O-CA 3.43Å; L95-C150 PolarHBondContact O-N 3.3Å |
| 96 | T | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.3 | 163.1 | -66.2 | 0 | 0 | 0 | 0 | 109 | A58 I59 A60 L140 C143 I144 C150 F152 | A58-T96 PolarHBondContact O-N 2.92Å; I59-T96 CarbonylContact C-O 3.51Å; I59-T96 WeakPolarHBondContact CA-O 3.24Å; A60-T96 PolarHBondContact N-O 2.69Å; T96-L140 HydrophobicContact CG2-CD1 4.08Å; T96-C143 HydrophobicContact CG2-CB 4.07Å; T96-C143 VanDerWaalsContact OG1-C 3.28Å; T96-C143 PolarHBondContact OG1-O 3.22Å; T96-C143 VanDerWaalsContact OG1-O 3.13Å; T96-I144 HydrophobicContact CG2-CG1 4.41Å; T96-I144 WeakPolarHBondContact OG1-CA 3.49Å; T96-I144 PolarHBondContact OG1-N 3.14Å; T96-C150 CarbonylContact C-O 3.59Å; T96-C150 WeakPolarHBondContact CA-O 3.18Å; T96-F152 HydrophobicContact CG2-CB 4.39Å |
| 97 | I | 99 | Very high | 98.2 | Very high | 5 Ų | 5 | 40 Ų | 40 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 117.7 | 173.1 | -57.1 | 174.3 | 0 | 0 | 0 | 107.3 | A60 I62 I68 I75 L95 C150 I151 F152 | A60-I97 HydrophobicContact CB-CG1 4.25Å; A60-I97 CarbonylContact O-C 3.54Å; A60-I97 WeakPolarHBondContact O-CA 3.42Å; I62-I97 HydrophobicContact CG1-CG2 3.72Å; I68-I97 HydrophobicContact CD1-CG2 4.31Å; I75-I97 HydrophobicContact CD1-CD1 3.85Å; I75-I97 HydrophobicContact CG1-CD1 3.66Å; L95-I97 HydrophobicContact CD1-CG1 4.09Å; L95-I97 HydrophobicContact CD2-CD1 4.26Å; L95-I97 HydrophobicContact CD2-CG1 4.3Å; L95-I97 HydrophobicContact CG-CG1 4.12Å; I97-C150 PolarHBondContact N-O 2.98Å; I97-I151 CarbonylContact O-C 3.6Å; I97-I151 VanDerWaalsContact O-CA 3.31Å; I97-I151 WeakPolarHBondContact O-CA 3.22Å; I97-F152 PolarHBondContact O-N 3.15Å |
| 98 | R | 98.9 | Very high | 98.2 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 5% | 0.053 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.7 | 177.4 | 47 | -177.4 | -64.1 | -78.2 | -13.3 | 111 | C21 I59 A60 E61 I62 F152 E154 | C21-R98 VanDerWaalsContact CB-NH2 3.28Å; I59-R98 HydrophobicContact CG2-CG 4.28Å; A60-R98 VanDerWaalsContact O-CG 3.3Å; A60-R98 WeakPolarHBondContact O-CG 3.39Å; A60-R98 PolarHBondContact O-N 3.42Å; E61-R98 WeakPolarHBondContact CA-O 2.98Å; E61-R98 IonicContact OE2-CZ 3.12Å; E61-R98 IonicContact OE2-NH1 3.57Å; E61-R98 PolarHBondContact OE2-NH1 3.09Å; E61-R98 IonicContact OE2-NH2 3.39Å; I62-R98 PolarHBondContact N-O 3.38Å; R98-F152 CarbonylContact C-O 3.54Å; R98-F152 VanDerWaalsContact CA-O 3.26Å; R98-F152 WeakPolarHBondContact CA-O 3.48Å; R98-F152 HydrophobicContact CB-CB 4.24Å; R98-F152 HydrophobicContact CB-CD1 4.5Å; R98-E154 IonicContact CZ-OE1 3.77Å; R98-E154 VanDerWaalsContact CZ-OE1 3.23Å; R98-E154 IonicContact CZ-OE2 2.63Å; R98-E154 IonicContact NE-OE1 3.84Å; R98-E154 PolarHBondContact NE-OE1 2.8Å; R98-E154 VanDerWaalsContact NH2-CD 3.29Å; R98-E154 IonicContact NH2-OE1 3.62Å; R98-E154 PolarHBondContact NH2-OE1 3.49Å; R98-E154 IonicContact NH2-OE2 2.6Å; R98-E154 PolarHBondContact NH2-OE2 2.91Å |
| 99 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 131.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I62 A65 C101 F152 L153 E154 | I62-A99 HydrophobicContact CB-CB 4.1Å; I62-A99 WeakPolarHBondContact O-CA 3.45Å; A65-A99 HydrophobicContact CB-CB 4.03Å; A99-C101 PolarHBondContact O-N 3.45Å; A99-F152 PolarHBondContact N-O 3.23Å; A99-L153 HydrophobicContact CB-CD2 4.38Å; A99-L153 CarbonylContact O-C 3.5Å; A99-L153 WeakPolarHBondContact O-CA 3.22Å; A99-E154 PolarHBondContact O-N 3.1Å |
| 100 | P | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 121.4 | 171.2 | -20.4 | 32.1 | 0 | 0 | 0 | 111.7 | F19 I62 Q63 A65 E154 K156 Y159 | F19-P100 HydrophobicContact CD2-CB 4.08Å; F19-P100 HydrophobicContact CD2-CG 3.59Å; F19-P100 HydrophobicContact CE2-CB 3.79Å; F19-P100 HydrophobicContact CE2-CG 3.69Å; F19-P100 HydrophobicContact CZ-CB 4.48Å; I62-P100 VanDerWaalsContact O-CD 3.24Å; I62-P100 WeakPolarHBondContact O-CD 3.27Å; Q63-P100 WeakPolarHBondContact O-CD 3.29Å; Q63-P100 VanDerWaalsContact O-CG 3.27Å; Q63-P100 WeakPolarHBondContact O-CG 3.43Å; A65-P100 WeakPolarHBondContact CB-O 3.3Å; A65-P100 PolarHBondContact N-O 3.01Å; P100-E154 CarbonylContact C-O 3.56Å; P100-E154 WeakPolarHBondContact CA-O 3.02Å; P100-K156 VanDerWaalsContact C-CE 3.46Å; P100-K156 HydrophobicContact CB-CB 3.91Å; P100-K156 HydrophobicContact CB-CD 4.47Å; P100-K156 VanDerWaalsContact O-CE 3.26Å; P100-K156 WeakPolarHBondContact O-CE 3.3Å; P100-Y159 HydrophobicContact CB-CE2 4.09Å; P100-Y159 HydrophobicContact CG-CE2 4.3Å; P100-Y159 WeakPolarHBondContact CG-OH 3.48Å |
| 101 | C | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 176.9 | -176.8 | 76.4 | 0 | 0 | 0 | 0 | 112.8 | A65 A99 L153 E154 K156 | A65-C101 HydrophobicContact CB-CB 3.7Å; A99-C101 PolarHBondContact O-N 3.45Å; C101-L153 HydrophobicContact CB-CB 4.01Å; C101-L153 HydrophobicContact CB-CD2 4.34Å; C101-E154 PolarHBondContact N-O 3.46Å; C101-K156 WeakPolarHBondContact O-CE 3.4Å; C101-K156 WeakPolarHBondContact O-CG 3.13Å; C101-K156 PolarHBondContact O-N 3.46Å; C101-K156 PolarHBondContact O-NZ 3.07Å |
| 102 | G | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | S | Bend | trans | 77.2 | 164.9 | 171 | 0 | 0 | 0 | 0 | 0 | 114.8 | S112 Q113 S114 K156 | G102-S112 CarbonylContact C-O 3.49Å; G102-S112 WeakPolarHBondContact O-CA 3.24Å; G102-Q113 PolarHBondContact N-O 3.26Å; G102-S114 WeakPolarHBondContact CA-OG 3.32Å; G102-K156 PolarHBondContact O-NZ 3.47Å |
| 103 | A | 98 | Very high | 98.2 | Very high | 38 Ų | 38 | 40.1 Ų | 40.1 | 31% | 0.314 | 24% | 0.239 | S | C | . | . | trans | -66.2 | 147.3 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | S112 I157 E245 | A103-S112 PolarHBondContact N-O 3.37Å; A103-I157 WeakPolarHBondContact O-CB 3.21Å; A103-E245 WeakPolarHBondContact CB-OE2 3.33Å; A103-E245 PolarHBondContact N-OE2 3.03Å | ||
| 104 | V | 97.6 | Very high | 98.3 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | trans | -124.1 | 11.5 | 177.4 | 74 | 0 | 0 | 0 | 0 | 112.8 | H106 K156 | V104-H106 VanDerWaalsContact C-N 3.25Å; V104-H106 PolarHBondContact O-N 3.33Å; V104-K156 HydrophobicContact CB-CD 4.25Å; V104-K156 HydrophobicContact CB-CG 4.12Å; V104-K156 HydrophobicContact CG2-CG 4.24Å | ||
| 105 | G | 96.6 | Very high | 98.3 | Very high | 78 Ų | 78 | 40.2 Ų | 40.2 | 80% | 0.804 | 24% | 0.238 | S | C | * | . | S | Bend | trans | 84.9 | -30.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 106 | H | 97.5 | Very high | 98.3 | Very high | 163 Ų | 163 | 40.2 Ų | 40.2 | 76% | 0.755 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -138.8 | 23.7 | -178.3 | 58.5 | 66.5 | 0 | 0 | 0 | 113.1 | V104 G108 | V104-H106 VanDerWaalsContact C-N 3.25Å; V104-H106 PolarHBondContact O-N 3.33Å; H106-G108 VanDerWaalsContact C-N 3.34Å; H106-G108 PolarHBondContact O-N 2.85Å |
| 107 | G | 97.4 | Very high | 98.3 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | trans | -79.3 | -11.7 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | H111 S112 | G107-H111 WeakPolarHBondContact O-CB 3.28Å; G107-H111 PolarHBondContact O-N 3.31Å; G107-H111 PolarHBondContact O-ND1 3.23Å; G107-S112 WeakPolarHBondContact CA-OG 3.45Å | ||
| 108 | G | 97.8 | Very high | 98.3 | Very high | 53 Ų | 53 | 47 Ų | 47 | 55% | 0.546 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | -146.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H106 S112 | H106-G108 VanDerWaalsContact C-N 3.34Å; H106-G108 PolarHBondContact O-N 2.85Å; G108-S112 WeakPolarHBondContact O-CB 3.33Å; G108-S112 PolarHBondContact O-OG 2.89Å |
| 109 | L | 98.1 | Very high | 98.3 | Very high | 125 Ų | 125 | 46.3 Ų | 46.3 | 65% | 0.654 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -25.4 | -176 | -83.9 | 66 | 0 | 0 | 0 | 114.1 | Q113 | L109-Q113 PolarHBondContact O-NE2 3.09Š|
| 110 | Y | 98.3 | Very high | 98.3 | Very high | 144 Ų | 144 | 47.2 Ų | 47.2 | 57% | 0.565 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -122.3 | 14.8 | -162.7 | -55.2 | -64.6 | 0 | 0 | 0 | 114.4 | D66 Y67 | D66-Y110 VanDerWaalsContact CB-O 3.22Å; D66-Y110 WeakPolarHBondContact CB-O 3.42Å; D66-Y110 VanDerWaalsContact CG-O 3.27Å; D66-Y110 WeakPolarHBondContact OD1-CA 3.27Å; Y67-Y110 WeakPolarHBondContact CE1-O 3.32Å; Y67-Y110 PolarHBondContact OH-O 3.26Å |
| 111 | H | 98.5 | Very high | 98.2 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 32% | 0.315 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -140.7 | 24.9 | 169.6 | -50 | 91.2 | 0 | 0 | 0 | 112 | F64 D66 Y67 G107 K156 | F64-H111 HydrophobicContact CD1-CB 3.98Å; F64-H111 AromaticContact CD1-CD2 3.62Å; F64-H111 AromaticContact CD2-CD2 3.95Å; F64-H111 HydrophobicContact CE1-CB 3.92Å; F64-H111 AromaticContact CE1-CD2 3.42Å; F64-H111 VanDerWaalsContact CE1-CD2 3.42Å; F64-H111 WeakPolarHBondContact CE1-CD2 3.44Å; F64-H111 AromaticContact CE2-CD2 3.79Å; F64-H111 AromaticContact CG-CD2 3.9Å; F64-H111 AromaticContact CZ-CD2 3.52Å; D66-H111 WeakPolarHBondContact OD1-CA 3.39Å; D66-H111 PolarHBondContact OD1-N 2.98Å; D66-H111 WeakPolarHBondContact OD2-CA 3.22Å; Y67-H111 PolarHBondContact OH-CD2 2.95Å; Y67-H111 PolarHBondContact OH-NE2 3.43Å; G107-H111 WeakPolarHBondContact O-CB 3.28Å; G107-H111 PolarHBondContact O-N 3.31Å; G107-H111 PolarHBondContact O-ND1 3.23Å; H111-K156 PolarHBondContact O-NZ 3.04Å |
| 112 | S | 98.6 | Very high | 98.2 | Very high | 32 Ų | 32 | 55.4 Ų | 55.4 | 22% | 0.224 | 32% | 0.315 | C | S | . | . | trans | -135.9 | -2.9 | -170.9 | -48.9 | 0 | 0 | 0 | 0 | 114 | D66 G102 A103 G107 G108 | D66-S112 PolarHBondContact OD1-N 3.32Å; D66-S112 PolarHBondContact OD2-N 3.43Å; G102-S112 CarbonylContact C-O 3.49Å; G102-S112 WeakPolarHBondContact O-CA 3.24Å; A103-S112 PolarHBondContact N-O 3.37Å; G107-S112 WeakPolarHBondContact CA-OG 3.45Å; G108-S112 WeakPolarHBondContact O-CB 3.33Å; G108-S112 PolarHBondContact O-OG 2.89Å | ||
| 113 | Q | 98.8 | Very high | 98.2 | Very high | 63 Ų | 63 | 60.7 Ų | 60.7 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | trans | -73.3 | 149.3 | -172.4 | -70 | 175.7 | 55.7 | 0 | 0 | 112.9 | D66 G102 L109 | D66-Q113 HydrophobicContact CB-CB 4.47Å; D66-Q113 VanDerWaalsContact OD1-CB 3.3Å; D66-Q113 WeakPolarHBondContact OD1-CB 3.33Å; D66-Q113 WeakPolarHBondContact OD1-CG 3.5Å; D66-Q113 PolarHBondContact OD1-N 3.49Å; D66-Q113 PolarHBondContact OD1-NE2 2.79Å; G102-Q113 PolarHBondContact N-O 3.26Å; L109-Q113 PolarHBondContact O-NE2 3.09Å | ||
| 114 | S | 98.6 | Very high | 98.2 | Very high | 17 Ų | 17 | 60.7 Ų | 60.7 | 12% | 0.119 | 35% | 0.353 | C | S | . | . | trans | -120.6 | 89.2 | 171.1 | -62.3 | 0 | 0 | 0 | 0 | 107.3 | G102 E116 | G102-S114 WeakPolarHBondContact CA-OG 3.32Å; S114-E116 VanDerWaalsContact C-N 3.34Å; S114-E116 WeakPolarHBondContact CA-OE2 3.25Å; S114-E116 WeakPolarHBondContact CB-OE2 3.16Å; S114-E116 PolarHBondContact O-N 3.23Å | ||
| 115 | P | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.006 | 35% | 0.346 | C | S | . | . | trans | -89.7 | 9.6 | -168.5 | 35.7 | -36.4 | 0 | 0 | 0 | 114 | A65 I68 M69 A117 F118 F119 L153 | A65-P115 HydrophobicContact CB-CG 3.88Å; I68-P115 HydrophobicContact CG2-CG 4.41Å; M69-P115 HydrophobicContact CE-CB 3.72Å; P115-A117 PolarHBondContact O-N 3.22Å; P115-A117 VanDerWaalsContact O-N 3.11Å; P115-F118 HydrophobicContact CB-CD2 4.12Å; P115-F118 WeakPolarHBondContact O-CB 3.12Å; P115-F118 PolarHBondContact O-N 2.68Å; P115-F119 HydrophobicContact CB-CE2 4.25Å; P115-F119 HydrophobicContact CG-CE2 4.35Å; P115-F119 WeakPolarHBondContact O-CD2 3.32Å; P115-L153 HydrophobicContact CG-CD2 4.42Å | ||
| 116 | E | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -54.8 | -35.7 | -171.3 | 63.5 | -83.5 | -166.4 | 0 | 0 | 113.6 | S114 F118 F119 A120 V127 M129 L153 W192 I222 | S114-E116 VanDerWaalsContact C-N 3.34Å; S114-E116 WeakPolarHBondContact CA-OE2 3.25Å; S114-E116 WeakPolarHBondContact CB-OE2 3.16Å; S114-E116 PolarHBondContact O-N 3.23Å; E116-F118 VanDerWaalsContact C-N 3.31Å; E116-F118 PolarHBondContact O-N 2.99Å; E116-F119 PolarHBondContact O-N 2.83Å; E116-A120 WeakPolarHBondContact O-CB 3.3Å; E116-A120 PolarHBondContact O-N 3.02Å; E116-V127 HydrophobicContact CB-CG1 4.11Å; E116-M129 HydrophobicContact CB-CE 4.49Å; E116-L153 HydrophobicContact CB-CD1 3.73Å; E116-W192 PolarHBondContact OE1-NE1 3.35Å; E116-I222 HydrophobicContact CB-CG1 4.05Å; E116-I222 HydrophobicContact CB-CG2 4.2Å; E116-I222 HydrophobicContact CG-CD1 4.42Å; E116-I222 HydrophobicContact CG-CG1 4.2Å; E116-I222 HydrophobicContact CG-CG2 4.31Å |
| 117 | A | 98.6 | Very high | 98.5 | Very high | 25 Ų | 25 | 49.7 Ų | 49.7 | 21% | 0.207 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.4 | -31.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P115 F119 A120 M250 F252 | P115-A117 PolarHBondContact O-N 3.22Å; P115-A117 VanDerWaalsContact O-N 3.11Å; A117-F119 VanDerWaalsContact C-N 3.31Å; A117-F119 PolarHBondContact O-N 3.36Å; A117-A120 PolarHBondContact O-N 3.08Å; A117-M250 WeakPolarHBondContact CB-O 3.43Å; A117-F252 HydrophobicContact CB-CB 4.4Å |
| 118 | F | 98.7 | Very high | 98.5 | Very high | 123 Ų | 123 | 49.2 Ų | 49.2 | 54% | 0.539 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.2 | -39 | 174.9 | -68.4 | -71.1 | 0 | 0 | 0 | 111.5 | M69 F72 P115 E116 | M69-F118 HydrophobicContact CE-CD2 3.51Å; M69-F118 HydrophobicContact CE-CE2 3.82Å; M69-F118 HydrophobicContact CE-CG 4.14Å; F72-F118 HydrophobicContact CE2-CB 3.88Å; F72-F118 HydrophobicContact CZ-CB 4.35Å; P115-F118 HydrophobicContact CB-CD2 4.12Å; P115-F118 WeakPolarHBondContact O-CB 3.12Å; P115-F118 PolarHBondContact O-N 2.68Å; E116-F118 VanDerWaalsContact C-N 3.31Å; E116-F118 PolarHBondContact O-N 2.99Å |
| 119 | F | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -84.4 | -24.5 | -179.9 | -63.5 | -69.4 | 0 | 0 | 0 | 113.3 | I68 F72 I75 V76 P115 E116 A117 H121 A122 L125 V127 I151 | I68-F119 HydrophobicContact CB-CZ 4.43Å; I68-F119 HydrophobicContact CD1-CE2 4.01Å; I68-F119 HydrophobicContact CD1-CZ 3.85Å; I68-F119 HydrophobicContact CG1-CE2 4.44Å; I68-F119 HydrophobicContact CG1-CZ 3.94Å; I68-F119 HydrophobicContact CG2-CE2 3.69Å; I68-F119 HydrophobicContact CG2-CZ 3.65Å; F72-F119 HydrophobicContact CD2-CD1 4.3Å; F72-F119 AromaticContact CD2-CE1 3.53Å; F72-F119 HydrophobicContact CD2-CE1 3.53Å; F72-F119 AromaticContact CD2-CZ 3.82Å; F72-F119 HydrophobicContact CD2-CZ 3.82Å; F72-F119 AromaticContact CE2-CD1 3.98Å; F72-F119 HydrophobicContact CE2-CD1 3.98Å; F72-F119 AromaticContact CE2-CE1 3.67Å; F72-F119 HydrophobicContact CE2-CE1 3.67Å; F72-F119 HydrophobicContact CE2-CZ 4.12Å; I75-F119 HydrophobicContact CB-CE1 4.15Å; I75-F119 HydrophobicContact CD1-CE1 3.98Å; I75-F119 HydrophobicContact CD1-CZ 4.2Å; I75-F119 HydrophobicContact CG2-CD1 3.78Å; I75-F119 HydrophobicContact CG2-CE1 3.61Å; V76-F119 HydrophobicContact CG2-CD1 4.35Å; P115-F119 HydrophobicContact CB-CE2 4.25Å; P115-F119 HydrophobicContact CG-CE2 4.35Å; P115-F119 WeakPolarHBondContact O-CD2 3.32Å; E116-F119 PolarHBondContact O-N 2.83Å; A117-F119 VanDerWaalsContact C-N 3.31Å; A117-F119 PolarHBondContact O-N 3.36Å; F119-H121 PolarHBondContact O-N 2.95Å; F119-H121 VanDerWaalsContact O-N 3.14Å; F119-A122 WeakPolarHBondContact O-CB 3.27Å; F119-A122 PolarHBondContact O-N 2.63Å; F119-L125 HydrophobicContact CB-CD1 4.39Å; F119-L125 HydrophobicContact CD1-CD1 4.14Å; F119-V127 HydrophobicContact CB-CG2 3.74Å; F119-I151 HydrophobicContact CB-CD1 3.89Å; F119-I151 HydrophobicContact CD1-CD1 3.43Å; F119-I151 VanDerWaalsContact CD1-CD1 3.43Å; F119-I151 HydrophobicContact CD2-CD1 3.93Å; F119-I151 HydrophobicContact CE1-CD1 3.87Å; F119-I151 HydrophobicContact CE2-CD1 4.3Å; F119-I151 HydrophobicContact CG-CD1 3.46Å; F119-I151 VanDerWaalsContact CG-CD1 3.46Å; F119-I151 HydrophobicContact CZ-CD1 4.27Å |
| 120 | A | 98.3 | Very high | 98.6 | Very high | 19 Ų | 19 | 41.2 Ų | 41.2 | 16% | 0.157 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61 | -21 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | E116 A117 A122 I222 F252 | E116-A120 WeakPolarHBondContact O-CB 3.3Å; E116-A120 PolarHBondContact O-N 3.02Å; A117-A120 PolarHBondContact O-N 3.08Å; A120-A122 VanDerWaalsContact C-N 3.34Å; A120-I222 HydrophobicContact CB-CG2 3.99Å; A120-F252 HydrophobicContact CB-CD2 3.53Å; A120-F252 HydrophobicContact CB-CE2 3.67Å |
| 121 | H | 98.1 | Very high | 98.6 | Very high | 170 Ų | 170 | 36.1 Ų | 36.1 | 79% | 0.787 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 11.3 | 175.8 | -157.2 | 60.7 | 0 | 0 | 0 | 114.3 | F119 P123 | F119-H121 PolarHBondContact O-N 2.95Å; F119-H121 VanDerWaalsContact O-N 3.14Å; H121-P123 WeakPolarHBondContact O-CD 3.27Å |
| 122 | A | 98.3 | Very high | 98.6 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -114.8 | 93.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | V76 F119 A120 G124 L125 | V76-A122 HydrophobicContact CB-CB 4.39Å; V76-A122 HydrophobicContact CG1-CB 3.96Å; V76-A122 HydrophobicContact CG2-CB 3.93Å; F119-A122 WeakPolarHBondContact O-CB 3.27Å; F119-A122 PolarHBondContact O-N 2.63Å; A120-A122 VanDerWaalsContact C-N 3.34Å; A122-G124 PolarHBondContact O-N 2.73Å; A122-L125 HydrophobicContact CB-CD1 3.73Å; A122-L125 HydrophobicContact CB-CG 4.28Å; A122-L125 PolarHBondContact O-N 2.86Å |
| 123 | P | 98.6 | Very high | 98.5 | Very high | 111 Ų | 111 | 33.9 Ų | 33.9 | 72% | 0.721 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 138.3 | 176.8 | -24.9 | 33.9 | 0 | 0 | 0 | 112.5 | A80 H121 | A80-P123 WeakPolarHBondContact CB-O 3.16Å; H121-P123 WeakPolarHBondContact O-CD 3.27Å |
| 124 | G | 98.5 | Very high | 98.5 | Very high | 39 Ų | 39 | 34 Ų | 34 | 40% | 0.402 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100.7 | -11.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A80 A122 | A80-G124 WeakPolarHBondContact O-CA 3.43Å; A122-G124 PolarHBondContact O-N 2.73Å |
| 125 | L | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | trans | -88.5 | 159 | 168.6 | -59.2 | -178.9 | 0 | 0 | 0 | 111.7 | I75 A80 F119 A122 P149 I151 L223 | I75-L125 HydrophobicContact CG2-CD1 3.63Å; I75-L125 HydrophobicContact CG2-CD2 4.17Å; A80-L125 HydrophobicContact CB-CD1 4.35Å; A80-L125 HydrophobicContact CB-CD2 3.6Å; A80-L125 HydrophobicContact CB-CG 3.6Å; F119-L125 HydrophobicContact CB-CD1 4.39Å; F119-L125 HydrophobicContact CD1-CD1 4.14Å; A122-L125 HydrophobicContact CB-CD1 3.73Å; A122-L125 HydrophobicContact CB-CG 4.28Å; A122-L125 PolarHBondContact O-N 2.86Å; L125-P149 HydrophobicContact CD2-CB 4.11Å; L125-P149 HydrophobicContact CD2-CG 3.82Å; L125-I151 HydrophobicContact CD1-CD1 4.09Å; L125-L223 HydrophobicContact CB-CD2 4.33Å; L125-L223 WeakPolarHBondContact O-CD2 3.38Å | ||
| 126 | K | 98.9 | Very high | 98.5 | Very high | 33 Ų | 33 | 34.5 Ų | 34.5 | 14% | 0.143 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 139.5 | 155.6 | -59.9 | -166.3 | 175 | -176.3 | 0 | 110.4 | D146 N148 P149 C150 I151 L175 L223 | K126-D146 WeakPolarHBondContact CE-OD1 3.43Å; K126-D146 VanDerWaalsContact NZ-CG 3.32Å; K126-D146 IonicContact NZ-OD1 2.88Å; K126-D146 PolarHBondContact NZ-OD1 3.46Å; K126-D146 IonicContact NZ-OD2 2.85Å; K126-D146 PolarHBondContact NZ-OD2 2.76Å; K126-N148 HydrophobicContact CD-CB 4.45Å; K126-N148 HydrophobicContact CG-CB 4.23Å; K126-P149 PolarHBondContact N-O 3.12Å; K126-C150 CarbonylContact O-C 3.58Å; K126-C150 WeakPolarHBondContact O-CA 3.42Å; K126-I151 PolarHBondContact O-N 3.05Å; K126-L175 HydrophobicContact CD-CD1 3.61Å; K126-L223 CarbonylContact C-O 3.6Å; K126-L223 WeakPolarHBondContact CA-O 3.29Å |
| 127 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 123.5 | -179.4 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | E116 F119 I151 L153 T221 I222 L223 | E116-V127 HydrophobicContact CB-CG1 4.11Å; F119-V127 HydrophobicContact CB-CG2 3.74Å; V127-I151 WeakPolarHBondContact CA-O 3.31Å; V127-I151 HydrophobicContact CG2-CB 4.44Å; V127-I151 HydrophobicContact CG2-CD1 4.41Å; V127-L153 HydrophobicContact CG1-CD1 4.08Å; V127-T221 CarbonylContact O-C 3.59Å; V127-T221 WeakPolarHBondContact O-CG2 3.47Å; V127-I222 HydrophobicContact CB-CB 4.06Å; V127-I222 HydrophobicContact CG1-CB 4.01Å; V127-I222 HydrophobicContact CG1-CG1 4.19Å; V127-I222 PolarHBondContact O-N 2.86Å; V127-L223 HydrophobicContact CB-CB 4.21Å; V127-L223 HydrophobicContact CG2-CB 4.2Å; V127-L223 PolarHBondContact N-O 2.79Å; V127-L223 PolarHBondContact O-N 3.42Å |
| 128 | V | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 137.9 | -168.8 | -176 | 0 | 0 | 0 | 0 | 109.9 | L139 I151 F152 L153 L175 T221 | V128-L139 HydrophobicContact CG1-CB 3.99Å; V128-L139 HydrophobicContact CG1-CD1 4.01Å; V128-L139 HydrophobicContact CG1-CD2 4.33Å; V128-L139 HydrophobicContact CG1-CG 4.35Å; V128-I151 PolarHBondContact N-O 3.39Å; V128-F152 HydrophobicContact CB-CD2 3.99Å; V128-F152 HydrophobicContact CB-CE2 4.46Å; V128-F152 HydrophobicContact CG1-CD2 3.93Å; V128-F152 HydrophobicContact CG1-CE2 3.9Å; V128-L153 PolarHBondContact O-N 3.11Å; V128-L175 HydrophobicContact CG1-CD2 4.43Å; V128-L175 HydrophobicContact CG2-CD1 4.47Å; V128-L175 HydrophobicContact CG2-CD2 3.94Å; V128-T221 HydrophobicContact CG2-CG2 4.18Å |
| 129 | M | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 30 Ų | 30 | 3% | 0.034 | 17% | 0.172 | C | C | . | . | trans | -140.3 | 107.3 | 178.1 | -171 | -179.7 | -59.1 | 0 | 0 | 110.4 | E116 L153 P155 R220 | E116-M129 HydrophobicContact CB-CE 4.49Å; M129-L153 HydrophobicContact CB-CB 4.37Å; M129-L153 HydrophobicContact CE-CB 3.84Å; M129-L153 HydrophobicContact CE-CD1 3.73Å; M129-L153 HydrophobicContact CE-CG 4.46Å; M129-L153 HydrophobicContact CG-CB 4.33Å; M129-L153 WeakPolarHBondContact CG-O 3.45Å; M129-P155 HydrophobicContact CG-CG 3.84Å; M129-P155 HydrophobicContact SD-CG 4.24Å; M129-R220 PolarHBondContact N-O 3.25Å | ||
| 130 | P | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 31.8 Ų | 31.8 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | trans | -77.3 | 156.2 | -179.3 | 35.3 | -38.2 | 0 | 0 | 0 | 111.9 | E135 A136 L139 F152 L153 P155 | P130-E135 WeakPolarHBondContact CA-OE2 3.43Å; P130-E135 HydrophobicContact CB-CB 4.38Å; P130-A136 HydrophobicContact CB-CB 3.82Å; P130-A136 HydrophobicContact CG-CB 3.72Å; P130-L139 HydrophobicContact CB-CD1 4.09Å; P130-F152 HydrophobicContact CB-CZ 4.22Å; P130-F152 HydrophobicContact CG-CE1 4.07Å; P130-F152 HydrophobicContact CG-CE2 4.22Å; P130-F152 HydrophobicContact CG-CZ 3.54Å; P130-L153 VanDerWaalsContact CD-O 3.27Å; P130-L153 WeakPolarHBondContact CD-O 3.32Å; P130-P155 WeakPolarHBondContact O-CD 3.5Å; P130-P155 VanDerWaalsContact O-CG 3.28Å; P130-P155 WeakPolarHBondContact O-CG 3.47Å | ||
| 131 | R | 98.1 | Very high | 98.5 | Very high | 37 Ų | 37 | 33 Ų | 33 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -92.9 | -7.8 | 173.8 | 71.6 | 164.3 | -177.5 | -83.3 | -5.5 | 115.5 | E135 L158 E179 L181 V196 H197 D218 | R131-E135 WeakPolarHBondContact CG-OE2 3.44Å; R131-E135 IonicContact CZ-OE1 3.34Å; R131-E135 PolarHBondContact N-OE2 2.98Å; R131-E135 IonicContact NH1-OE1 2.64Å; R131-E135 PolarHBondContact NH1-OE1 2.99Å; R131-E135 IonicContact NH2-OE1 3.18Å; R131-L158 WeakPolarHBondContact O-CD1 3.43Å; R131-E179 IonicContact CZ-OE2 3.13Å; R131-E179 IonicContact NH1-OE2 2.71Å; R131-E179 PolarHBondContact NH1-OE2 3.44Å; R131-E179 IonicContact NH2-OE1 2.69Å; R131-E179 IonicContact NH2-OE2 2.83Å; R131-E179 PolarHBondContact NH2-OE2 3.16Å; R131-L181 VanDerWaalsContact CZ-CD2 3.48Å; R131-V196 HydrophobicContact CB-CB 4.16Å; R131-V196 HydrophobicContact CB-CG2 4.24Å; R131-H197 PolarHBondContact O-CE1 3.33Å; R131-H197 PolarHBondContact O-NE2 3.33Å; R131-D218 WeakPolarHBondContact CB-OD2 3.42Å; R131-D218 WeakPolarHBondContact CD-OD2 3.41Å; R131-D218 WeakPolarHBondContact CG-OD2 3.49Å; R131-D218 IonicContact CZ-OD2 3.7Å; R131-D218 IonicContact NE-OD2 3.89Å; R131-D218 IonicContact NH1-OD2 2.74Å; R131-D218 PolarHBondContact NH1-OD2 3Å |
| 132 | G | 97.4 | Very high | 98.5 | Very high | 12 Ų | 12 | 27 Ų | 27 | 12% | 0.124 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -179.9 | 177.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | E135 A136 | G132-E135 PolarHBondContact O-N 3.14Å; G132-A136 WeakPolarHBondContact O-CB 3.07Å; G132-A136 PolarHBondContact O-N 2.93Å |
| 133 | P | 98 | Very high | 98.6 | Very high | 41 Ų | 41 | 26.8 Ų | 26.8 | 27% | 0.266 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.9 | -47.3 | -167.3 | -23.7 | 33 | 0 | 0 | 0 | 115 | E135 A136 K137 A162 D164 V166 | P133-E135 VanDerWaalsContact C-N 3.26Å; P133-E135 PolarHBondContact O-N 3.36Å; P133-A136 PolarHBondContact O-N 2.85Å; P133-K137 PolarHBondContact O-N 3.27Å; P133-A162 HydrophobicContact CG-CB 4.02Å; P133-A162 WeakPolarHBondContact CG-O 3.5Å; P133-D164 HydrophobicContact CB-CB 4.04Å; P133-D164 HydrophobicContact CG-CB 4Å; P133-V166 HydrophobicContact CB-CG2 3.66Å |
| 134 | F | 98.1 | Very high | 98.6 | Very high | 65 Ų | 65 | 22.9 Ų | 22.9 | 29% | 0.285 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -57.1 | -46.6 | 177.2 | 170.5 | -94.2 | 0 | 0 | 0 | 110.4 | G138 D164 P167 Y171 L173 | F134-G138 PolarHBondContact O-N 2.9Å; F134-D164 VanDerWaalsContact CB-OD2 3.29Å; F134-D164 WeakPolarHBondContact CB-OD2 3.12Å; F134-P167 HydrophobicContact CE2-CG 4.28Å; F134-Y171 WeakPolarHBondContact CA-OH 3.47Å; F134-Y171 HydrophobicContact CD2-CE2 4.15Å; F134-Y171 AromaticContact CD2-CZ 3.95Å; F134-Y171 HydrophobicContact CE2-CD2 4.46Å; F134-Y171 AromaticContact CE2-CE2 3.84Å; F134-Y171 HydrophobicContact CE2-CE2 3.84Å; F134-Y171 AromaticContact CE2-CZ 3.98Å; F134-Y171 HydrophobicContact CZ-CE2 4.06Å; F134-Y171 WeakPolarHBondContact O-CE2 3.37Å; F134-Y171 PolarHBondContact O-OH 2.82Å; F134-L173 HydrophobicContact CD1-CD1 4.35Å; F134-L173 HydrophobicContact CE1-CD1 3.99Å; F134-L173 HydrophobicContact CE1-CD2 4.17Å; F134-L173 HydrophobicContact CZ-CD2 4.47Å |
| 135 | E | 97.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.009 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -72 | -40.5 | -176 | -147.5 | -174 | -120.8 | 0 | 0 | 112.3 | P130 R131 G132 P133 K137 G138 L139 L173 R220 | P130-E135 WeakPolarHBondContact CA-OE2 3.43Å; P130-E135 HydrophobicContact CB-CB 4.38Å; R131-E135 WeakPolarHBondContact CG-OE2 3.44Å; R131-E135 IonicContact CZ-OE1 3.34Å; R131-E135 PolarHBondContact N-OE2 2.98Å; R131-E135 IonicContact NH1-OE1 2.64Å; R131-E135 PolarHBondContact NH1-OE1 2.99Å; R131-E135 IonicContact NH2-OE1 3.18Å; G132-E135 PolarHBondContact O-N 3.14Å; P133-E135 VanDerWaalsContact C-N 3.26Å; P133-E135 PolarHBondContact O-N 3.36Å; E135-K137 VanDerWaalsContact C-N 3.33Å; E135-K137 PolarHBondContact O-N 3.48Å; E135-G138 PolarHBondContact O-N 2.72Å; E135-L139 HydrophobicContact CG-CD1 3.72Å; E135-L139 HydrophobicContact CG-CG 4.21Å; E135-L139 WeakPolarHBondContact O-CB 3.45Å; E135-L139 WeakPolarHBondContact O-CG 3.5Å; E135-L139 PolarHBondContact O-N 3.36Å; E135-L173 HydrophobicContact CB-CD1 4.26Å; E135-L173 HydrophobicContact CG-CD1 3.57Å; E135-R220 IonicContact OE1-CZ 3.63Å; E135-R220 VanDerWaalsContact OE1-CZ 3.23Å; E135-R220 IonicContact OE1-NE 2.65Å; E135-R220 PolarHBondContact OE1-NE 3.45Å; E135-R220 IonicContact OE1-NH2 3.88Å; E135-R220 PolarHBondContact OE1-NH2 3.43Å; E135-R220 VanDerWaalsContact OE1-NH2 3.12Å |
| 136 | A | 98.7 | Very high | 98.5 | Very high | 27 Ų | 27 | 25 Ų | 25 | 22% | 0.223 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.1 | -45.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P130 G132 P133 L140 F152 | P130-A136 HydrophobicContact CB-CB 3.82Å; P130-A136 HydrophobicContact CG-CB 3.72Å; G132-A136 WeakPolarHBondContact O-CB 3.07Å; G132-A136 PolarHBondContact O-N 2.93Å; P133-A136 PolarHBondContact O-N 2.85Å; A136-L140 WeakPolarHBondContact O-CB 3.28Å; A136-L140 PolarHBondContact O-N 3.5Å; A136-F152 HydrophobicContact CB-CZ 4.36Å; A136-F152 WeakPolarHBondContact O-CZ 3.38Å |
| 137 | K | 98.7 | Very high | 98.5 | Very high | 55 Ų | 55 | 29.7 Ų | 29.7 | 24% | 0.239 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.1 | -48.3 | 176.5 | 168.9 | 172.2 | 172.2 | 175.6 | 0 | 111.9 | P133 E135 L141 V166 P167 T168 G169 Y171 | P133-K137 PolarHBondContact O-N 3.27Å; E135-K137 VanDerWaalsContact C-N 3.33Å; E135-K137 PolarHBondContact O-N 3.48Å; K137-L141 HydrophobicContact CG-CD1 3.86Å; K137-L141 WeakPolarHBondContact O-CB 3.43Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 3.38Å; K137-L141 PolarHBondContact O-N 3.44Å; K137-V166 HydrophobicContact CB-CG1 4.3Å; K137-V166 HydrophobicContact CD-CG1 3.66Å; K137-P167 PolarHBondContact NZ-O 3.41Å; K137-T168 PolarHBondContact NZ-O 3.45Å; K137-G169 VanDerWaalsContact CE-O 3.31Å; K137-G169 WeakPolarHBondContact CE-O 3.3Å; K137-G169 PolarHBondContact NZ-O 3.12Å; K137-Y171 WeakPolarHBondContact CB-OH 3.14Å; K137-Y171 HydrophobicContact CD-CD1 4.33Å; K137-Y171 HydrophobicContact CD-CE1 3.5Å; K137-Y171 VanDerWaalsContact CD-CE1 3.5Å; K137-Y171 VanDerWaalsContact CE-CE1 3.45Å; K137-Y171 HydrophobicContact CG-CE1 3.87Å |
| 138 | G | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.5 | -44 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F134 E135 Q142 T172 L173 | F134-G138 PolarHBondContact O-N 2.9Å; E135-G138 PolarHBondContact O-N 2.72Å; G138-Q142 WeakPolarHBondContact O-CB 3.34Å; G138-Q142 PolarHBondContact O-N 3.36Å; G138-Q142 VanDerWaalsContact O-N 3.13Å; G138-T172 WeakPolarHBondContact O-CA 3.36Å; G138-L173 PolarHBondContact O-N 3.18Å; G138-L173 VanDerWaalsContact O-N 3.07Å |
| 139 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -72.3 | -39 | 178.8 | -70.4 | 173.6 | 0 | 0 | 0 | 112.3 | V128 P130 E135 Q142 C143 F152 L173 L175 R220 | V128-L139 HydrophobicContact CG1-CB 3.99Å; V128-L139 HydrophobicContact CG1-CD1 4.01Å; V128-L139 HydrophobicContact CG1-CD2 4.33Å; V128-L139 HydrophobicContact CG1-CG 4.35Å; P130-L139 HydrophobicContact CB-CD1 4.09Å; E135-L139 HydrophobicContact CG-CD1 3.72Å; E135-L139 HydrophobicContact CG-CG 4.21Å; E135-L139 WeakPolarHBondContact O-CB 3.45Å; E135-L139 WeakPolarHBondContact O-CG 3.5Å; E135-L139 PolarHBondContact O-N 3.36Å; L139-Q142 PolarHBondContact O-N 3.2Å; L139-C143 PolarHBondContact O-N 3.38Å; L139-C143 PolarHBondContact O-SG 3.07Å; L139-F152 HydrophobicContact CB-CE2 3.78Å; L139-F152 HydrophobicContact CB-CZ 4.44Å; L139-L173 HydrophobicContact CD2-CB 3.89Å; L139-L173 HydrophobicContact CG-CB 4.14Å; L139-L173 HydrophobicContact CG-CD1 4.35Å; L139-L175 HydrophobicContact CD2-CD2 3.98Å; L139-R220 HydrophobicContact CD1-CB 4.05Å; L139-R220 HydrophobicContact CD1-CG 4.29Å |
| 140 | L | 98.9 | Very high | 98.4 | Very high | 37 Ų | 37 | 32.3 Ų | 32.3 | 19% | 0.194 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.8 | -45.2 | 176.5 | 178.4 | 58.4 | 0 | 0 | 0 | 111.2 | T96 A136 Q142 C143 I144 F152 | T96-L140 HydrophobicContact CG2-CD1 4.08Å; A136-L140 WeakPolarHBondContact O-CB 3.28Å; A136-L140 PolarHBondContact O-N 3.5Å; L140-Q142 VanDerWaalsContact C-N 3.25Å; L140-Q142 PolarHBondContact O-N 2.99Å; L140-C143 WeakPolarHBondContact O-CB 3.43Å; L140-C143 PolarHBondContact O-N 3Å; L140-C143 VanDerWaalsContact O-N 3.13Å; L140-I144 HydrophobicContact CD1-CD1 4.06Å; L140-I144 HydrophobicContact CD1-CG1 4.24Å; L140-I144 HydrophobicContact CG-CD1 3.88Å; L140-I144 HydrophobicContact CG-CG1 4.49Å; L140-I144 VanDerWaalsContact O-CG1 3.29Å; L140-I144 WeakPolarHBondContact O-CG1 3.27Å; L140-I144 PolarHBondContact O-N 3.48Å; L140-F152 HydrophobicContact CB-CD1 4.3Å; L140-F152 HydrophobicContact CB-CD2 4.41Å; L140-F152 HydrophobicContact CB-CE1 3.86Å; L140-F152 HydrophobicContact CB-CE2 4.01Å; L140-F152 HydrophobicContact CB-CZ 3.7Å; L140-F152 HydrophobicContact CD1-CB 4.22Å; L140-F152 HydrophobicContact CD1-CD1 3.8Å; L140-F152 HydrophobicContact CD1-CD2 4.38Å; L140-F152 HydrophobicContact CD1-CE1 4.21Å; L140-F152 HydrophobicContact CD1-CG 3.88Å; L140-F152 HydrophobicContact CD2-CE1 4.44Å; L140-F152 HydrophobicContact CG-CD1 4.46Å; L140-F152 HydrophobicContact CG-CE1 4.38Å |
| 141 | L | 98.7 | Very high | 98.5 | Very high | 44 Ų | 44 | 32.2 Ų | 32.2 | 23% | 0.23 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.3 | -39.2 | 175.4 | -74.2 | 172.6 | 0 | 0 | 0 | 111.4 | K137 I144 E145 K170 Y171 T172 | K137-L141 HydrophobicContact CG-CD1 3.86Å; K137-L141 WeakPolarHBondContact O-CB 3.43Å; K137-L141 VanDerWaalsContact O-CG 3.29Å; K137-L141 WeakPolarHBondContact O-CG 3.38Å; K137-L141 PolarHBondContact O-N 3.44Å; L141-I144 PolarHBondContact O-N 2.92Å; L141-E145 WeakPolarHBondContact O-CB 3.31Å; L141-E145 WeakPolarHBondContact O-CG 3.29Å; L141-E145 PolarHBondContact O-N 3.25Å; L141-E145 VanDerWaalsContact O-N 3.13Å; L141-K170 HydrophobicContact CD1-CG 4.34Å; L141-Y171 WeakPolarHBondContact CD1-O 3.31Å; L141-T172 HydrophobicContact CB-CG2 4.07Å |
| 142 | Q | 98.8 | Very high | 98.5 | Very high | 44 Ų | 44 | 30.6 Ų | 30.6 | 21% | 0.206 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 174.1 | -172.6 | 64.2 | 41.4 | 0 | 0 | 112.2 | G138 L139 L140 E145 D146 T172 L173 L175 | G138-Q142 WeakPolarHBondContact O-CB 3.34Å; G138-Q142 PolarHBondContact O-N 3.36Å; G138-Q142 VanDerWaalsContact O-N 3.13Å; L139-Q142 PolarHBondContact O-N 3.2Å; L140-Q142 VanDerWaalsContact C-N 3.25Å; L140-Q142 PolarHBondContact O-N 2.99Å; Q142-E145 PolarHBondContact O-N 3.39Å; Q142-D146 WeakPolarHBondContact O-CB 3.48Å; Q142-D146 PolarHBondContact O-N 3.19Å; Q142-T172 HydrophobicContact CB-CG2 4.46Å; Q142-T172 VanDerWaalsContact OE1-CB 3.27Å; Q142-T172 PolarHBondContact OE1-OG1 2.77Å; Q142-L173 WeakPolarHBondContact CB-O 3.31Å; Q142-L173 VanDerWaalsContact CG-O 3.27Å; Q142-L173 WeakPolarHBondContact CG-O 3.48Å; Q142-L175 HydrophobicContact CB-CD2 3.95Å; Q142-L175 HydrophobicContact CB-CG 4.27Å; Q142-L175 HydrophobicContact CG-CD1 4.2Å; Q142-L175 HydrophobicContact CG-CD2 3.74Å; Q142-L175 HydrophobicContact CG-CG 3.52Å |
| 143 | C | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 174.7 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | T96 L139 L140 E145 D146 C150 | T96-C143 HydrophobicContact CG2-CB 4.07Å; T96-C143 VanDerWaalsContact OG1-C 3.28Å; T96-C143 PolarHBondContact OG1-O 3.22Å; T96-C143 VanDerWaalsContact OG1-O 3.13Å; L139-C143 PolarHBondContact O-N 3.38Å; L139-C143 PolarHBondContact O-SG 3.07Å; L140-C143 WeakPolarHBondContact O-CB 3.43Å; L140-C143 PolarHBondContact O-N 3Å; L140-C143 VanDerWaalsContact O-N 3.13Å; C143-E145 PolarHBondContact O-N 3.01Å; C143-D146 PolarHBondContact O-N 3.13Å; C143-C150 HydrophobicContact CB-CB 3.69Å |
| 144 | I | 98.7 | Very high | 98.6 | Very high | 29 Ų | 29 | 28.8 Ų | 28.8 | 15% | 0.149 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.5 | -31.9 | 179 | -69.9 | 167.7 | 0 | 0 | 0 | 111.5 | T57 I59 T96 L140 L141 | T57-I144 HydrophobicContact CG2-CG2 3.58Å; I59-I144 HydrophobicContact CD1-CD1 3.76Å; I59-I144 HydrophobicContact CD1-CG1 4.05Å; I59-I144 HydrophobicContact CD1-CG2 4.2Å; I59-I144 HydrophobicContact CG1-CD1 4.39Å; I59-I144 HydrophobicContact CG1-CG1 4.2Å; T96-I144 HydrophobicContact CG2-CG1 4.41Å; T96-I144 WeakPolarHBondContact OG1-CA 3.49Å; T96-I144 PolarHBondContact OG1-N 3.14Å; L140-I144 HydrophobicContact CD1-CD1 4.06Å; L140-I144 HydrophobicContact CD1-CG1 4.24Å; L140-I144 HydrophobicContact CG-CD1 3.88Å; L140-I144 HydrophobicContact CG-CG1 4.49Å; L140-I144 VanDerWaalsContact O-CG1 3.29Å; L140-I144 WeakPolarHBondContact O-CG1 3.27Å; L140-I144 PolarHBondContact O-N 3.48Å; L141-I144 PolarHBondContact O-N 2.92Å |
| 145 | E | 97.9 | Very high | 98.6 | Very high | 68 Ų | 68 | 26.1 Ų | 26.1 | 32% | 0.318 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -91.7 | -23.5 | -177.1 | -72.3 | 173.8 | -157.1 | 0 | 0 | 114 | L141 Q142 C143 K147 K170 | L141-E145 WeakPolarHBondContact O-CB 3.31Å; L141-E145 WeakPolarHBondContact O-CG 3.29Å; L141-E145 PolarHBondContact O-N 3.25Å; L141-E145 VanDerWaalsContact O-N 3.13Å; Q142-E145 PolarHBondContact O-N 3.39Å; C143-E145 PolarHBondContact O-N 3.01Å; E145-K147 WeakPolarHBondContact O-CE 3.17Å; E145-K147 PolarHBondContact O-NZ 3.19Å; E145-K170 WeakPolarHBondContact OE1-CE 3.42Å; E145-K170 IonicContact OE1-NZ 3.74Å; E145-K170 PolarHBondContact OE1-NZ 2.75Å; E145-K170 WeakPolarHBondContact OE2-CE 3.26Å; E145-K170 IonicContact OE2-NZ 3.23Å; E145-K170 PolarHBondContact OE2-NZ 2.83Å |
| 146 | D | 98.3 | Very high | 98.7 | Very high | 20 Ų | 20 | 26.4 Ų | 26.4 | 11% | 0.107 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -55.4 | 157 | 177.7 | -155.6 | -86 | 0 | 0 | 0 | 111.1 | K126 Q142 C143 N148 L175 | K126-D146 WeakPolarHBondContact CE-OD1 3.43Å; K126-D146 VanDerWaalsContact NZ-CG 3.32Å; K126-D146 IonicContact NZ-OD1 2.88Å; K126-D146 PolarHBondContact NZ-OD1 3.46Å; K126-D146 IonicContact NZ-OD2 2.85Å; K126-D146 PolarHBondContact NZ-OD2 2.76Å; Q142-D146 WeakPolarHBondContact O-CB 3.48Å; Q142-D146 PolarHBondContact O-N 3.19Å; C143-D146 PolarHBondContact O-N 3.13Å; D146-N148 WeakPolarHBondContact OD1-CB 3.37Å; D146-N148 PolarHBondContact OD1-N 3.25Å; D146-N148 VanDerWaalsContact OD1-N 3.09Å; D146-N148 PolarHBondContact OD1-ND2 3.43Å; D146-L175 HydrophobicContact CB-CD1 4.27Å |
| 147 | K | 97.6 | Very high | 98.6 | Very high | 132 Ų | 132 | 26.5 Ų | 26.5 | 57% | 0.574 | 13% | 0.128 | S | C | * | . | S | Bend | trans | -103.8 | 29 | -180 | -56.2 | -56.4 | 171.6 | -143.7 | 0 | 111.5 | R83 G93 E145 | R83-K147 PolarHBondContact NH2-O 2.95Å; G93-K147 VanDerWaalsContact CA-C 3.47Å; G93-K147 WeakPolarHBondContact CA-O 3.33Å; E145-K147 WeakPolarHBondContact O-CE 3.17Å; E145-K147 PolarHBondContact O-NZ 3.19Å |
| 148 | N | 98.6 | Very high | 98.6 | Very high | 51 Ų | 51 | 25 Ų | 25 | 27% | 0.273 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -135.5 | 148.2 | 175.6 | -58.1 | -75 | 0 | 0 | 0 | 109.1 | G93 K126 D146 C150 | G93-N148 PolarHBondContact O-N 3.35Å; K126-N148 HydrophobicContact CD-CB 4.45Å; K126-N148 HydrophobicContact CG-CB 4.23Å; D146-N148 WeakPolarHBondContact OD1-CB 3.37Å; D146-N148 PolarHBondContact OD1-N 3.25Å; D146-N148 VanDerWaalsContact OD1-N 3.09Å; D146-N148 PolarHBondContact OD1-ND2 3.43Å; N148-C150 PolarHBondContact O-N 2.83Å; N148-C150 VanDerWaalsContact O-N 3.12Å; N148-C150 PolarHBondContact O-SG 3.25Å |
| 149 | P | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 7% | 0.071 | 14% | 0.136 | C | C | . | . | trans | -58.1 | 119.6 | 172.8 | 26.1 | -35 | 0 | 0 | 0 | 110.1 | A79 L95 L125 K126 | A79-P149 HydrophobicContact CB-CB 4.12Å; A79-P149 HydrophobicContact CB-CG 4.36Å; L95-P149 HydrophobicContact CD2-CB 4.47Å; L95-P149 WeakPolarHBondContact O-CA 3.43Å; L125-P149 HydrophobicContact CD2-CB 4.11Å; L125-P149 HydrophobicContact CD2-CG 3.82Å; K126-P149 PolarHBondContact N-O 3.12Å | ||
| 150 | C | 98.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 138 | -178.5 | -67.4 | 0 | 0 | 0 | 0 | 111 | L95 T96 I97 K126 C143 N148 | L95-C150 PolarHBondContact O-N 3.3Å; T96-C150 CarbonylContact C-O 3.59Å; T96-C150 WeakPolarHBondContact CA-O 3.18Å; I97-C150 PolarHBondContact N-O 2.98Å; K126-C150 CarbonylContact O-C 3.58Å; K126-C150 WeakPolarHBondContact O-CA 3.42Å; C143-C150 HydrophobicContact CB-CB 3.69Å; N148-C150 PolarHBondContact O-N 2.83Å; N148-C150 VanDerWaalsContact O-N 3.12Å; N148-C150 PolarHBondContact O-SG 3.25Å |
| 151 | I | 99 | Very high | 97.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.7 | 165.3 | -55 | 177.9 | 0 | 0 | 0 | 107.8 | I68 I75 I97 F119 L125 K126 V127 V128 L153 | I68-I151 HydrophobicContact CD1-CG2 4.36Å; I75-I151 HydrophobicContact CG2-CD1 3.82Å; I97-I151 CarbonylContact O-C 3.6Å; I97-I151 VanDerWaalsContact O-CA 3.31Å; I97-I151 WeakPolarHBondContact O-CA 3.22Å; F119-I151 HydrophobicContact CB-CD1 3.89Å; F119-I151 HydrophobicContact CD1-CD1 3.43Å; F119-I151 VanDerWaalsContact CD1-CD1 3.43Å; F119-I151 HydrophobicContact CD2-CD1 3.93Å; F119-I151 HydrophobicContact CE1-CD1 3.87Å; F119-I151 HydrophobicContact CE2-CD1 4.3Å; F119-I151 HydrophobicContact CG-CD1 3.46Å; F119-I151 VanDerWaalsContact CG-CD1 3.46Å; F119-I151 HydrophobicContact CZ-CD1 4.27Å; L125-I151 HydrophobicContact CD1-CD1 4.09Å; K126-I151 PolarHBondContact O-N 3.05Å; V127-I151 WeakPolarHBondContact CA-O 3.31Å; V127-I151 HydrophobicContact CG2-CB 4.44Å; V127-I151 HydrophobicContact CG2-CD1 4.41Å; V128-I151 PolarHBondContact N-O 3.39Å; I151-L153 HydrophobicContact CG2-CD2 3.8Å; I151-L153 HydrophobicContact CG2-CG 4.03Å |
| 152 | F | 99 | Very high | 97.3 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.009 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 104.4 | 179.5 | -167.2 | -101.4 | 0 | 0 | 0 | 110 | T96 I97 R98 A99 V128 P130 A136 L139 L140 E154 | T96-F152 HydrophobicContact CG2-CB 4.39Å; I97-F152 PolarHBondContact O-N 3.15Å; R98-F152 CarbonylContact C-O 3.54Å; R98-F152 VanDerWaalsContact CA-O 3.26Å; R98-F152 WeakPolarHBondContact CA-O 3.48Å; R98-F152 HydrophobicContact CB-CB 4.24Å; R98-F152 HydrophobicContact CB-CD1 4.5Å; A99-F152 PolarHBondContact N-O 3.23Å; V128-F152 HydrophobicContact CB-CD2 3.99Å; V128-F152 HydrophobicContact CB-CE2 4.46Å; V128-F152 HydrophobicContact CG1-CD2 3.93Å; V128-F152 HydrophobicContact CG1-CE2 3.9Å; P130-F152 HydrophobicContact CB-CZ 4.22Å; P130-F152 HydrophobicContact CG-CE1 4.07Å; P130-F152 HydrophobicContact CG-CE2 4.22Å; P130-F152 HydrophobicContact CG-CZ 3.54Å; A136-F152 HydrophobicContact CB-CZ 4.36Å; A136-F152 WeakPolarHBondContact O-CZ 3.38Å; L139-F152 HydrophobicContact CB-CE2 3.78Å; L139-F152 HydrophobicContact CB-CZ 4.44Å; L140-F152 HydrophobicContact CB-CD1 4.3Å; L140-F152 HydrophobicContact CB-CD2 4.41Å; L140-F152 HydrophobicContact CB-CE1 3.86Å; L140-F152 HydrophobicContact CB-CE2 4.01Å; L140-F152 HydrophobicContact CB-CZ 3.7Å; L140-F152 HydrophobicContact CD1-CB 4.22Å; L140-F152 HydrophobicContact CD1-CD1 3.8Å; L140-F152 HydrophobicContact CD1-CD2 4.38Å; L140-F152 HydrophobicContact CD1-CE1 4.21Å; L140-F152 HydrophobicContact CD1-CG 3.88Å; L140-F152 HydrophobicContact CD2-CE1 4.44Å; L140-F152 HydrophobicContact CG-CD1 4.46Å; L140-F152 HydrophobicContact CG-CE1 4.38Å; F152-E154 HydrophobicContact CD1-CG 3.52Å; F152-E154 HydrophobicContact CE1-CG 3.59Å |
| 153 | L | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 114.5 | -176.1 | -62.7 | 176.5 | 0 | 0 | 0 | 109.3 | A65 A99 C101 P115 E116 V127 V128 M129 P130 I151 P155 | A65-L153 HydrophobicContact CB-CD2 4.15Å; A99-L153 HydrophobicContact CB-CD2 4.38Å; A99-L153 CarbonylContact O-C 3.5Å; A99-L153 WeakPolarHBondContact O-CA 3.22Å; C101-L153 HydrophobicContact CB-CB 4.01Å; C101-L153 HydrophobicContact CB-CD2 4.34Å; P115-L153 HydrophobicContact CG-CD2 4.42Å; E116-L153 HydrophobicContact CB-CD1 3.73Å; V127-L153 HydrophobicContact CG1-CD1 4.08Å; V128-L153 PolarHBondContact O-N 3.11Å; M129-L153 HydrophobicContact CB-CB 4.37Å; M129-L153 HydrophobicContact CE-CB 3.84Å; M129-L153 HydrophobicContact CE-CD1 3.73Å; M129-L153 HydrophobicContact CE-CG 4.46Å; M129-L153 HydrophobicContact CG-CB 4.33Å; M129-L153 WeakPolarHBondContact CG-O 3.45Å; P130-L153 VanDerWaalsContact CD-O 3.27Å; P130-L153 WeakPolarHBondContact CD-O 3.32Å; I151-L153 HydrophobicContact CG2-CD2 3.8Å; I151-L153 HydrophobicContact CG2-CG 4.03Å; L153-P155 WeakPolarHBondContact O-CD 3.5Å |
| 154 | E | 98.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 52.1 Ų | 52.1 | 7% | 0.07 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 110.3 | -172.5 | -65 | 177 | -167.8 | 0 | 0 | 110.2 | R98 A99 P100 C101 F152 K156 Y159 | R98-E154 IonicContact CZ-OE1 3.77Å; R98-E154 VanDerWaalsContact CZ-OE1 3.23Å; R98-E154 IonicContact CZ-OE2 2.63Å; R98-E154 IonicContact NE-OE1 3.84Å; R98-E154 PolarHBondContact NE-OE1 2.8Å; R98-E154 VanDerWaalsContact NH2-CD 3.29Å; R98-E154 IonicContact NH2-OE1 3.62Å; R98-E154 PolarHBondContact NH2-OE1 3.49Å; R98-E154 IonicContact NH2-OE2 2.6Å; R98-E154 PolarHBondContact NH2-OE2 2.91Å; A99-E154 PolarHBondContact O-N 3.1Å; P100-E154 CarbonylContact C-O 3.56Å; P100-E154 WeakPolarHBondContact CA-O 3.02Å; C101-E154 PolarHBondContact N-O 3.46Å; F152-E154 HydrophobicContact CD1-CG 3.52Å; F152-E154 HydrophobicContact CE1-CG 3.59Å; E154-K156 PolarHBondContact O-N 3.47Å; E154-Y159 HydrophobicContact CB-CE1 4.14Å; E154-Y159 WeakPolarHBondContact CB-OH 2.95Å; E154-Y159 VanDerWaalsContact OE2-CE1 3.32Å; E154-Y159 WeakPolarHBondContact OE2-CE1 3.48Å; E154-Y159 VanDerWaalsContact OE2-CZ 3.31Å; E154-Y159 PolarHBondContact OE2-OH 2.96Å |
| 155 | P | 98.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 59.2 Ų | 59.2 | 6% | 0.058 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 102.2 | -178.5 | -22.5 | 34.2 | 0 | 0 | 0 | 111.2 | M129 P130 L153 I157 L158 | M129-P155 HydrophobicContact CG-CG 3.84Å; M129-P155 HydrophobicContact SD-CG 4.24Å; P130-P155 WeakPolarHBondContact O-CD 3.5Å; P130-P155 VanDerWaalsContact O-CG 3.28Å; P130-P155 WeakPolarHBondContact O-CG 3.47Å; L153-P155 WeakPolarHBondContact O-CD 3.5Å; P155-I157 PolarHBondContact O-N 3.39Å; P155-I157 VanDerWaalsContact O-N 3.13Å; P155-L158 HydrophobicContact CB-CD1 3.92Å; P155-L158 HydrophobicContact CB-CG 4.09Å; P155-L158 HydrophobicContact CG-CD1 4.32Å; P155-L158 WeakPolarHBondContact O-CB 3.34Å; P155-L158 PolarHBondContact O-N 2.98Å |
| 156 | K | 98.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 4% | 0.039 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -66.3 | -25.7 | -163.8 | 72 | -173.5 | 71.3 | 95.9 | 0 | 113.6 | F19 F64 D66 P100 C101 G102 V104 H111 E154 L158 Y159 | F19-K156 HydrophobicContact CE1-CB 4.45Å; F19-K156 HydrophobicContact CZ-CB 4.39Å; F19-K156 HydrophobicContact CZ-CD 4.23Å; F64-K156 HydrophobicContact CD1-CD 4.22Å; F64-K156 HydrophobicContact CE1-CD 4Å; D66-K156 IonicContact OD2-NZ 3.42Å; P100-K156 VanDerWaalsContact C-CE 3.46Å; P100-K156 HydrophobicContact CB-CB 3.91Å; P100-K156 HydrophobicContact CB-CD 4.47Å; P100-K156 VanDerWaalsContact O-CE 3.26Å; P100-K156 WeakPolarHBondContact O-CE 3.3Å; C101-K156 WeakPolarHBondContact O-CE 3.4Å; C101-K156 WeakPolarHBondContact O-CG 3.13Å; C101-K156 PolarHBondContact O-N 3.46Å; C101-K156 PolarHBondContact O-NZ 3.07Å; G102-K156 PolarHBondContact O-NZ 3.47Å; V104-K156 HydrophobicContact CB-CD 4.25Å; V104-K156 HydrophobicContact CB-CG 4.12Å; V104-K156 HydrophobicContact CG2-CG 4.24Å; H111-K156 PolarHBondContact O-NZ 3.04Å; E154-K156 PolarHBondContact O-N 3.47Å; K156-L158 PolarHBondContact O-N 2.95Å; K156-Y159 HydrophobicContact CB-CD2 3.92Å; K156-Y159 HydrophobicContact CB-CE2 3.75Å; K156-Y159 VanDerWaalsContact O-CD2 3.29Å; K156-Y159 WeakPolarHBondContact O-CD2 3.44Å; K156-Y159 PolarHBondContact O-N 2.86Å |
| 157 | I | 98 | Very high | 96.3 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -63.1 | -22.8 | 174.6 | -159.3 | 168.3 | 0 | 0 | 0 | 112.3 | A103 P155 R161 T194 | A103-I157 WeakPolarHBondContact O-CB 3.21Å; P155-I157 PolarHBondContact O-N 3.39Å; P155-I157 VanDerWaalsContact O-N 3.13Å; I157-R161 WeakPolarHBondContact O-CB 3.42Å; I157-R161 VanDerWaalsContact O-CD 3.31Å; I157-R161 WeakPolarHBondContact O-CD 3.38Å; I157-R161 VanDerWaalsContact O-CG 3.26Å; I157-R161 WeakPolarHBondContact O-CG 3.3Å; I157-T194 HydrophobicContact CG2-CG2 3.75Å; I157-T194 WeakPolarHBondContact CG2-OG1 3.47Å |
| 158 | L | 97.7 | Very high | 96.3 | Very high | 23 Ų | 23 | 61.4 Ų | 61.4 | 12% | 0.12 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -86.9 | -18.9 | -178.5 | -58.8 | -176.5 | 0 | 0 | 0 | 113.8 | R131 P155 K156 R160 R161 A162 T194 | R131-L158 WeakPolarHBondContact O-CD1 3.43Å; P155-L158 HydrophobicContact CB-CD1 3.92Å; P155-L158 HydrophobicContact CB-CG 4.09Å; P155-L158 HydrophobicContact CG-CD1 4.32Å; P155-L158 WeakPolarHBondContact O-CB 3.34Å; P155-L158 PolarHBondContact O-N 2.98Å; K156-L158 PolarHBondContact O-N 2.95Å; L158-R160 PolarHBondContact O-N 2.86Å; L158-R161 PolarHBondContact O-N 2.78Å; L158-R161 VanDerWaalsContact O-N 3.12Å; L158-A162 HydrophobicContact CB-CB 4.14Å; L158-A162 HydrophobicContact CD2-CB 4.39Å; L158-A162 PolarHBondContact O-N 3.21Å; L158-T194 HydrophobicContact CD2-CG2 4.2Å |
| 159 | Y | 97.5 | Very high | 96.2 | Very high | 69 Ų | 69 | 61 Ų | 61 | 27% | 0.271 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -35.9 | -174.5 | -78.9 | -46.6 | 0 | 0 | 0 | 114.8 | F19 C21 P100 E154 K156 | F19-Y159 HydrophobicContact CB-CD2 3.97Å; F19-Y159 HydrophobicContact CB-CE2 3.69Å; F19-Y159 AromaticContact CD1-CD2 3.52Å; F19-Y159 HydrophobicContact CD1-CD2 3.52Å; F19-Y159 AromaticContact CD1-CE2 3.66Å; F19-Y159 HydrophobicContact CD1-CE2 3.66Å; F19-Y159 AromaticContact CD2-CE2 3.91Å; F19-Y159 HydrophobicContact CD2-CE2 3.91Å; F19-Y159 HydrophobicContact CE1-CD2 4.16Å; F19-Y159 HydrophobicContact CE1-CE2 4.26Å; F19-Y159 HydrophobicContact CE2-CE2 4.49Å; F19-Y159 AromaticContact CG-CD2 3.78Å; F19-Y159 HydrophobicContact CG-CD2 3.78Å; F19-Y159 AromaticContact CG-CE2 3.46Å; F19-Y159 HydrophobicContact CG-CE2 3.46Å; F19-Y159 VanDerWaalsContact CG-CE2 3.46Å; C21-Y159 VanDerWaalsContact SG-CE1 3.58Å; P100-Y159 HydrophobicContact CB-CE2 4.09Å; P100-Y159 HydrophobicContact CG-CE2 4.3Å; P100-Y159 WeakPolarHBondContact CG-OH 3.48Å; E154-Y159 HydrophobicContact CB-CE1 4.14Å; E154-Y159 WeakPolarHBondContact CB-OH 2.95Å; E154-Y159 VanDerWaalsContact OE2-CE1 3.32Å; E154-Y159 WeakPolarHBondContact OE2-CE1 3.48Å; E154-Y159 VanDerWaalsContact OE2-CZ 3.31Å; E154-Y159 PolarHBondContact OE2-OH 2.96Å; K156-Y159 HydrophobicContact CB-CD2 3.92Å; K156-Y159 HydrophobicContact CB-CE2 3.75Å; K156-Y159 VanDerWaalsContact O-CD2 3.29Å; K156-Y159 WeakPolarHBondContact O-CD2 3.44Å; K156-Y159 PolarHBondContact O-N 2.86Å |
| 160 | R | 93.8 | Very high | 96.2 | Very high | 191 Ų | 191 | 67.4 Ų | 67.4 | 72% | 0.721 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | -1.2 | 179.9 | -60.4 | -171.1 | -177.6 | -170.5 | 4.7 | 113.8 | L158 | L158-R160 PolarHBondContact O-N 2.86Š|
| 161 | R | 90.2 | Very high | 96.2 | Very high | 179 Ų | 179 | 69.2 Ų | 69.2 | 68% | 0.675 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | -37.6 | -178.6 | -69.4 | -170.8 | -176 | -175 | 1.7 | 112.5 | I157 L158 | I157-R161 WeakPolarHBondContact O-CB 3.42Å; I157-R161 VanDerWaalsContact O-CD 3.31Å; I157-R161 WeakPolarHBondContact O-CD 3.38Å; I157-R161 VanDerWaalsContact O-CG 3.26Å; I157-R161 WeakPolarHBondContact O-CG 3.3Å; L158-R161 PolarHBondContact O-N 2.78Å; L158-R161 VanDerWaalsContact O-N 3.12Å |
| 162 | A | 87.3 | Confident | 96.1 | Very high | 26 Ų | 26 | 71.8 Ų | 71.8 | 22% | 0.215 | 37% | 0.367 | C | S | . | . | trans | -86.4 | 128.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110 | P133 L158 | P133-A162 HydrophobicContact CG-CB 4.02Å; P133-A162 WeakPolarHBondContact CG-O 3.5Å; L158-A162 HydrophobicContact CB-CB 4.14Å; L158-A162 HydrophobicContact CD2-CB 4.39Å; L158-A162 PolarHBondContact O-N 3.21Å | ||
| 163 | V | 88.9 | Confident | 96.1 | Very high | 140 Ų | 140 | 72.8 Ų | 72.8 | 85% | 0.848 | 37% | 0.372 | S | S | * | . | trans | -123.5 | 132.6 | 174.5 | -177.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 164 | D | 91.1 | Very high | 96.1 | Very high | 90 Ų | 90 | 76 Ų | 76 | 48% | 0.481 | 39% | 0.393 | S | S | . | . | trans | -149.7 | 158 | -176.7 | -153.6 | -11.7 | 0 | 0 | 0 | 109.8 | P133 F134 V166 | P133-D164 HydrophobicContact CB-CB 4.04Å; P133-D164 HydrophobicContact CG-CB 4Å; F134-D164 VanDerWaalsContact CB-OD2 3.29Å; F134-D164 WeakPolarHBondContact CB-OD2 3.12Å; D164-V166 HydrophobicContact CB-CG2 4.49Å; D164-V166 PolarHBondContact O-N 2.91Å | ||
| 165 | E | 96.2 | Very high | 96.1 | Very high | 178 Ų | 178 | 76 Ų | 76 | 83% | 0.832 | 39% | 0.394 | S | S | * | . | trans | -77.6 | 108.5 | 170.7 | -72.4 | -168.3 | 173.6 | 0 | 0 | 109.4 | ||||
| 166 | V | 97.8 | Very high | 96.1 | Very high | 55 Ų | 55 | 77 Ų | 77 | 33% | 0.333 | 40% | 0.401 | S | S | . | . | trans | -107.8 | 114.1 | -178.1 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | P133 K137 D164 T168 Y171 | P133-V166 HydrophobicContact CB-CG2 3.66Å; K137-V166 HydrophobicContact CB-CG1 4.3Å; K137-V166 HydrophobicContact CD-CG1 3.66Å; D164-V166 HydrophobicContact CB-CG2 4.49Å; D164-V166 PolarHBondContact O-N 2.91Å; V166-T168 PolarHBondContact O-N 2.97Å; V166-Y171 HydrophobicContact CG1-CE1 4.41Å | ||
| 167 | P | 97.6 | Very high | 96.1 | Very high | 64 Ų | 64 | 80.8 Ų | 80.8 | 42% | 0.416 | 42% | 0.417 | S | S | . | . | trans | -53.8 | 135.8 | 175.5 | -25.7 | 32.6 | 0 | 0 | 0 | 111 | F134 K137 Y171 | F134-P167 HydrophobicContact CE2-CG 4.28Å; K137-P167 PolarHBondContact NZ-O 3.41Å; P167-Y171 HydrophobicContact CB-CD1 3.96Å; P167-Y171 HydrophobicContact CB-CE1 3.91Å; P167-Y171 HydrophobicContact CG-CD1 4.16Å; P167-Y171 HydrophobicContact CG-CE1 3.91Å | ||
| 168 | T | 97 | Very high | 96.2 | Very high | 146 Ų | 146 | 80.2 Ų | 80.2 | 90% | 0.896 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -71.6 | -36.3 | -179.8 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | K137 V166 | K137-T168 PolarHBondContact NZ-O 3.45Å; V166-T168 PolarHBondContact O-N 2.97Å |
| 169 | G | 97.4 | Very high | 96.2 | Very high | 44 Ų | 44 | 82 Ų | 82 | 45% | 0.454 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -63.6 | 167.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114 | K137 | K137-G169 VanDerWaalsContact CE-O 3.31Å; K137-G169 WeakPolarHBondContact CE-O 3.3Å; K137-G169 PolarHBondContact NZ-O 3.12Å |
| 170 | K | 97.3 | Very high | 96.3 | Very high | 144 Ų | 144 | 82.4 Ų | 82.4 | 63% | 0.626 | 43% | 0.431 | S | S | * | . | trans | -68.7 | 132.6 | 174.4 | 179.1 | -177.9 | 165.6 | 173.7 | 0 | 109.8 | L141 E145 | L141-K170 HydrophobicContact CD1-CG 4.34Å; E145-K170 WeakPolarHBondContact OE1-CE 3.42Å; E145-K170 IonicContact OE1-NZ 3.74Å; E145-K170 PolarHBondContact OE1-NZ 2.75Å; E145-K170 WeakPolarHBondContact OE2-CE 3.26Å; E145-K170 IonicContact OE2-NZ 3.23Å; E145-K170 PolarHBondContact OE2-NZ 2.83Å | ||
| 171 | Y | 98.5 | Very high | 96.5 | Very high | 39 Ų | 39 | 75.5 Ų | 75.5 | 15% | 0.153 | 41% | 0.408 | C | S | . | . | trans | -146.7 | 157.2 | 164.2 | 65.1 | -86.6 | 0 | 0 | 0 | 108.4 | F134 K137 L141 V166 P167 | F134-Y171 WeakPolarHBondContact CA-OH 3.47Å; F134-Y171 HydrophobicContact CD2-CE2 4.15Å; F134-Y171 AromaticContact CD2-CZ 3.95Å; F134-Y171 HydrophobicContact CE2-CD2 4.46Å; F134-Y171 AromaticContact CE2-CE2 3.84Å; F134-Y171 HydrophobicContact CE2-CE2 3.84Å; F134-Y171 AromaticContact CE2-CZ 3.98Å; F134-Y171 HydrophobicContact CZ-CE2 4.06Å; F134-Y171 WeakPolarHBondContact O-CE2 3.37Å; F134-Y171 PolarHBondContact O-OH 2.82Å; K137-Y171 WeakPolarHBondContact CB-OH 3.14Å; K137-Y171 HydrophobicContact CD-CD1 4.33Å; K137-Y171 HydrophobicContact CD-CE1 3.5Å; K137-Y171 VanDerWaalsContact CD-CE1 3.5Å; K137-Y171 VanDerWaalsContact CE-CE1 3.45Å; K137-Y171 HydrophobicContact CG-CE1 3.87Å; L141-Y171 WeakPolarHBondContact CD1-O 3.31Å; V166-Y171 HydrophobicContact CG1-CE1 4.41Å; P167-Y171 HydrophobicContact CB-CD1 3.96Å; P167-Y171 HydrophobicContact CB-CE1 3.91Å; P167-Y171 HydrophobicContact CG-CD1 4.16Å; P167-Y171 HydrophobicContact CG-CE1 3.91Å | ||
| 172 | T | 98.7 | Very high | 96.8 | Very high | 55 Ų | 55 | 69.7 Ų | 69.7 | 34% | 0.337 | 39% | 0.394 | S | S | . | . | trans | -124.5 | 155.3 | 174.6 | 58.4 | 0 | 0 | 0 | 0 | 109.8 | G138 L141 Q142 | G138-T172 WeakPolarHBondContact O-CA 3.36Å; L141-T172 HydrophobicContact CB-CG2 4.07Å; Q142-T172 HydrophobicContact CB-CG2 4.46Å; Q142-T172 VanDerWaalsContact OE1-CB 3.27Å; Q142-T172 PolarHBondContact OE1-OG1 2.77Å | ||
| 173 | L | 98.7 | Very high | 97.4 | Very high | 23 Ų | 23 | 75.7 Ų | 75.7 | 12% | 0.12 | 42% | 0.418 | C | S | . | . | trans | -116 | 138.7 | 167.3 | -67.4 | 173.6 | 0 | 0 | 0 | 107.9 | F134 E135 G138 L139 Q142 L175 | F134-L173 HydrophobicContact CD1-CD1 4.35Å; F134-L173 HydrophobicContact CE1-CD1 3.99Å; F134-L173 HydrophobicContact CE1-CD2 4.17Å; F134-L173 HydrophobicContact CZ-CD2 4.47Å; E135-L173 HydrophobicContact CB-CD1 4.26Å; E135-L173 HydrophobicContact CG-CD1 3.57Å; G138-L173 PolarHBondContact O-N 3.18Å; G138-L173 VanDerWaalsContact O-N 3.07Å; L139-L173 HydrophobicContact CD2-CB 3.89Å; L139-L173 HydrophobicContact CG-CB 4.14Å; L139-L173 HydrophobicContact CG-CD1 4.35Å; Q142-L173 WeakPolarHBondContact CB-O 3.31Å; Q142-L173 VanDerWaalsContact CG-O 3.27Å; Q142-L173 WeakPolarHBondContact CG-O 3.48Å; L173-L175 PolarHBondContact O-N 2.89Å | ||
| 174 | P | 98.7 | Very high | 97.8 | Very high | 68 Ų | 68 | 69.1 Ų | 69.1 | 44% | 0.442 | 38% | 0.378 | S | S | . | . | trans | -63.6 | 137.3 | -176.9 | 25.3 | -32.9 | 0 | 0 | 0 | 111.3 | K177 | P174-K177 HydrophobicContact CB-CB 4.1Å; P174-K177 HydrophobicContact CB-CG 3.93Å; P174-K177 HydrophobicContact CG-CB 3.82Å; P174-K177 HydrophobicContact CG-CG 3.97Å | ||
| 175 | L | 98.8 | Very high | 98.1 | Very high | 16 Ų | 16 | 70 Ų | 70 | 8% | 0.084 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 161.5 | 165.9 | -50.2 | -174.8 | 0 | 0 | 0 | 109.6 | K126 V128 L139 Q142 D146 L173 K177 | K126-L175 HydrophobicContact CD-CD1 3.61Å; V128-L175 HydrophobicContact CG1-CD2 4.43Å; V128-L175 HydrophobicContact CG2-CD1 4.47Å; V128-L175 HydrophobicContact CG2-CD2 3.94Å; L139-L175 HydrophobicContact CD2-CD2 3.98Å; Q142-L175 HydrophobicContact CB-CD2 3.95Å; Q142-L175 HydrophobicContact CB-CG 4.27Å; Q142-L175 HydrophobicContact CG-CD1 4.2Å; Q142-L175 HydrophobicContact CG-CD2 3.74Å; Q142-L175 HydrophobicContact CG-CG 3.52Å; D146-L175 HydrophobicContact CB-CD1 4.27Å; L173-L175 PolarHBondContact O-N 2.89Å; L175-K177 PolarHBondContact O-N 2.92Å |
| 176 | S | 98.8 | Very high | 98.1 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 30.7 | -179.4 | -54 | 0 | 0 | 0 | 0 | 112.7 | T221 P224 | S176-T221 PolarHBondContact N-OG1 3.03Å; S176-P224 WeakPolarHBondContact CA-O 3.42Å; S176-P224 WeakPolarHBondContact CB-O 3.27Å; S176-P224 PolarHBondContact OG-O 2.92Å |
| 177 | K | 98.8 | Very high | 98.1 | Very high | 88 Ų | 88 | 62.7 Ų | 62.7 | 38% | 0.383 | 35% | 0.35 | S | S | . | . | trans | -133.4 | 113.1 | 175.6 | -74.9 | -68.5 | 160.7 | -157.6 | 0 | 110.4 | P174 L175 R220 D226 | P174-K177 HydrophobicContact CB-CB 4.1Å; P174-K177 HydrophobicContact CB-CG 3.93Å; P174-K177 HydrophobicContact CG-CB 3.82Å; P174-K177 HydrophobicContact CG-CG 3.97Å; L175-K177 PolarHBondContact O-N 2.92Å; K177-R220 WeakPolarHBondContact O-CD 3.37Å; K177-D226 WeakPolarHBondContact CA-OD2 3.45Å; K177-D226 IonicContact NZ-OD1 2.66Å; K177-D226 IonicContact NZ-OD2 3.93Å | ||
| 178 | A | 98.8 | Very high | 98.2 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | trans | -74.6 | 164.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I217 D218 D226 A229 | A178-I217 HydrophobicContact CB-CG2 3.82Å; A178-D218 CarbonylContact C-O 3.4Å; A178-D218 VanDerWaalsContact CA-O 3.26Å; A178-D218 WeakPolarHBondContact CA-O 3.27Å; A178-D218 WeakPolarHBondContact CB-O 3.32Å; A178-D226 HydrophobicContact CB-CB 3.85Å; A178-D226 PolarHBondContact N-OD2 3.28Å; A178-A229 HydrophobicContact CB-CB 4.04Å | ||
| 179 | E | 98.7 | Very high | 98.3 | Very high | 59 Ų | 59 | 53 Ų | 53 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 129.7 | 174.8 | -175.9 | -179.7 | -148.5 | 0 | 0 | 111.2 | R131 L181 I217 D218 R220 | R131-E179 IonicContact CZ-OE2 3.13Å; R131-E179 IonicContact NH1-OE2 2.71Å; R131-E179 PolarHBondContact NH1-OE2 3.44Å; R131-E179 IonicContact NH2-OE1 2.69Å; R131-E179 IonicContact NH2-OE2 2.83Å; R131-E179 PolarHBondContact NH2-OE2 3.16Å; E179-L181 HydrophobicContact CB-CD2 4.34Å; E179-L181 VanDerWaalsContact CD-CD2 3.4Å; E179-L181 HydrophobicContact CG-CD2 3.68Å; E179-L181 VanDerWaalsContact OE2-CD2 3.29Å; E179-L181 WeakPolarHBondContact OE2-CD2 3.47Å; E179-I217 WeakPolarHBondContact O-CA 3.38Å; E179-D218 PolarHBondContact N-O 3.02Å; E179-D218 PolarHBondContact O-N 3.12Å; E179-R220 VanDerWaalsContact CB-CZ 3.46Å; E179-R220 IonicContact OE1-NH2 3.25Å; E179-R220 PolarHBondContact OE1-NH2 2.77Å; E179-R220 IonicContact OE2-CZ 2.76Å; E179-R220 IonicContact OE2-NE 3.23Å; E179-R220 IonicContact OE2-NH2 3.78Å; E179-R220 PolarHBondContact OE2-NH2 3.17Å |
| 180 | L | 98.7 | Very high | 98.4 | Very high | 79 Ų | 79 | 50.9 Ų | 50.9 | 41% | 0.414 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 109.6 | 169.8 | -175.6 | 62.1 | 0 | 0 | 0 | 109.3 | C182 E183 D215 I217 | L180-C182 VanDerWaalsContact CD1-O 3.26Å; L180-C182 WeakPolarHBondContact CD1-O 3.41Å; L180-E183 HydrophobicContact CD2-CG 3.78Å; L180-E183 HydrophobicContact CG-CG 4.31Å; L180-D215 HydrophobicContact CD1-CB 3.87Å; L180-I217 HydrophobicContact CD1-CD1 4.43Å; L180-I217 HydrophobicContact CD1-CG1 3.75Å |
| 181 | L | 98.2 | Very high | 98.4 | Very high | 46 Ų | 46 | 44 Ų | 44 | 24% | 0.241 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | -27.4 | -174.5 | -60.1 | -179.8 | 0 | 0 | 0 | 113.9 | R131 E179 V196 K200 V216 D218 | R131-L181 VanDerWaalsContact CZ-CD2 3.48Å; E179-L181 HydrophobicContact CB-CD2 4.34Å; E179-L181 VanDerWaalsContact CD-CD2 3.4Å; E179-L181 HydrophobicContact CG-CD2 3.68Å; E179-L181 VanDerWaalsContact OE2-CD2 3.29Å; E179-L181 WeakPolarHBondContact OE2-CD2 3.47Å; L181-V196 HydrophobicContact CD1-CG1 3.37Å; L181-K200 HydrophobicContact CD1-CD 4.27Å; L181-V216 PolarHBondContact N-O 2.79Å; L181-D218 HydrophobicContact CD1-CB 4.01Å; L181-D218 HydrophobicContact CG-CB 4.42Å |
| 182 | C | 97.6 | Very high | 98.4 | Very high | 56 Ų | 56 | 42.4 Ų | 42.4 | 38% | 0.378 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 133.3 | 177.8 | -178.5 | 0 | 0 | 0 | 0 | 106.6 | L180 D215 V216 | L180-C182 VanDerWaalsContact CD1-O 3.26Å; L180-C182 WeakPolarHBondContact CD1-O 3.41Å; C182-D215 CarbonylContact O-C 3.53Å; C182-D215 VanDerWaalsContact O-CA 3.25Å; C182-D215 WeakPolarHBondContact O-CA 3.29Å; C182-V216 HydrophobicContact CB-CB 3.93Å; C182-V216 HydrophobicContact CB-CG2 3.89Å; C182-V216 PolarHBondContact O-N 2.84Å |
| 183 | E | 98.1 | Very high | 98.4 | Very high | 152 Ų | 152 | 39.8 Ų | 39.8 | 71% | 0.71 | 22% | 0.216 | S | C | * | . | trans | -89.8 | 138.3 | 172.7 | -66.8 | -169.3 | 170.2 | 0 | 0 | 110.7 | L180 D215 | L180-E183 HydrophobicContact CD2-CG 3.78Å; L180-E183 HydrophobicContact CG-CG 4.31Å; E183-D215 WeakPolarHBondContact CA-OD1 3.4Å | ||
| 184 | G | 98 | Very high | 98.4 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | trans | -151.9 | -179.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S213 D215 K236 | G184-S213 VanDerWaalsContact CA-OG 3.31Å; G184-S213 WeakPolarHBondContact CA-OG 3.5Å; G184-D215 PolarHBondContact N-OD1 2.64Å; G184-D215 VanDerWaalsContact O-OD1 3.07Å; G184-K236 WeakPolarHBondContact O-CE 3.38Å; G184-K236 PolarHBondContact O-NZ 3.38Å | ||
| 185 | N | 97.2 | Very high | 98.4 | Very high | 109 Ų | 109 | 38.5 Ų | 38.5 | 58% | 0.583 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -132.2 | -9.2 | -172 | -64.3 | -45 | 0 | 0 | 0 | 113.4 | S213 T237 | N185-S213 PolarHBondContact N-O 3.14Å; N185-T237 WeakPolarHBondContact O-CA 3.23Å |
| 186 | D | 97.7 | Very high | 98.4 | Very high | 63 Ų | 63 | 37.7 Ų | 37.7 | 34% | 0.337 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -101.8 | -33.2 | -171.5 | -59.4 | -53.4 | 0 | 0 | 0 | 112.8 | I212 S213 R239 | D186-I212 HydrophobicContact CB-CG2 3.74Å; D186-S213 WeakPolarHBondContact CB-O 3.29Å; D186-S213 PolarHBondContact N-O 3.12Å; D186-S213 PolarHBondContact OD2-N 3.02Å; D186-R239 WeakPolarHBondContact O-CD 3.46Å; D186-R239 PolarHBondContact O-NH1 3.03Å |
| 187 | A | 97.9 | Very high | 98.3 | Very high | 16 Ų | 16 | 39.2 Ų | 39.2 | 13% | 0.132 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 153.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | C214 D215 R239 | A187-C214 CarbonylContact O-C 3.53Å; A187-C214 WeakPolarHBondContact O-CA 3.43Å; A187-D215 PolarHBondContact O-N 3.06Å; A187-R239 HydrophobicContact CB-CB 4.08Å |
| 188 | T | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.2 | 170.9 | -58 | 0 | 0 | 0 | 0 | 109.6 | D215 I217 S233 V234 T237 R239 L240 L241 | T188-D215 HydrophobicContact CG2-CB 4.42Å; T188-I217 HydrophobicContact CG2-CD1 3.82Å; T188-I217 HydrophobicContact CG2-CG1 4.42Å; T188-S233 WeakPolarHBondContact CB-OG 3.12Å; T188-S233 WeakPolarHBondContact CG2-OG 3.33Å; T188-S233 PolarHBondContact OG1-O 3.08Å; T188-S233 PolarHBondContact OG1-OG 2.84Å; T188-V234 HydrophobicContact CG2-CG2 4.05Å; T188-T237 PolarHBondContact N-OG1 3.2Å; T188-T237 WeakPolarHBondContact OG1-CG2 3.49Å; T188-T237 PolarHBondContact OG1-OG1 3.35Å; T188-R239 WeakPolarHBondContact CB-O 3.2Å; T188-R239 PolarHBondContact N-O 2.84Å; T188-L240 HydrophobicContact CG2-CD1 3.88Å; T188-L240 WeakPolarHBondContact O-CA 3.27Å; T188-L241 PolarHBondContact O-N 2.82Å |
| 189 | L | 98.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 38 Ų | 38 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.4 | 172.4 | -54.8 | -174.9 | 0 | 0 | 0 | 108.8 | M199 V202 A203 C214 D215 V216 I217 L241 | L189-M199 HydrophobicContact CB-CB 4.32Å; L189-M199 HydrophobicContact CB-CG 4.31Å; L189-M199 HydrophobicContact CB-SD 3.82Å; L189-M199 HydrophobicContact CD1-SD 4.02Å; L189-M199 HydrophobicContact CD2-SD 4.37Å; L189-M199 HydrophobicContact CG-SD 4.28Å; L189-V202 HydrophobicContact CD1-CB 4.37Å; L189-V202 HydrophobicContact CD1-CG1 3.98Å; L189-A203 HydrophobicContact CD1-CB 4Å; L189-C214 HydrophobicContact CD1-CB 3.87Å; L189-C214 HydrophobicContact CG-CB 3.86Å; L189-D215 WeakPolarHBondContact CB-O 3.01Å; L189-D215 PolarHBondContact N-O 3.3Å; L189-V216 HydrophobicContact CB-CG2 4.46Å; L189-V216 HydrophobicContact CD1-CG2 4.34Å; L189-V216 WeakPolarHBondContact O-CA 3.36Å; L189-I217 PolarHBondContact O-N 2.76Å; L189-L241 WeakPolarHBondContact CA-O 3.31Å; L189-L241 HydrophobicContact CD2-CB 3.82Å; L189-L241 HydrophobicContact CD2-CD2 4.36Å; L189-L241 HydrophobicContact CD2-CG 4.46Å |
| 190 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131.7 | -177.1 | -175.4 | 71.6 | 0 | 0 | 0 | 110.8 | I217 L219 V230 L240 L241 I242 A243 I256 | L190-I217 HydrophobicContact CD1-CB 3.66Å; L190-I217 HydrophobicContact CD1-CG2 3.45Å; L190-I217 VanDerWaalsContact CD1-CG2 3.45Å; L190-L219 HydrophobicContact CD1-CB 4.17Å; L190-L219 HydrophobicContact CD1-CD1 4.23Å; L190-V230 HydrophobicContact CD1-CG2 3.95Å; L190-V230 HydrophobicContact CD2-CG1 4.18Å; L190-V230 HydrophobicContact CD2-CG2 4.05Å; L190-L240 HydrophobicContact CB-CD1 4.06Å; L190-L241 PolarHBondContact N-O 3.41Å; L190-I242 HydrophobicContact CB-CG1 4.48Å; L190-I242 HydrophobicContact CD2-CG1 4.3Å; L190-I242 HydrophobicContact CD2-CG2 4.5Å; L190-I242 WeakPolarHBondContact O-CA 3.47Å; L190-A243 PolarHBondContact O-N 3.06Å; L190-I256 HydrophobicContact CD2-CD1 3.8Å; L190-I256 HydrophobicContact CD2-CG2 3.69Å |
| 191 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 177.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q195 V196 M199 I217 D218 L219 | A191-Q195 HydrophobicContact CB-CB 4.02Å; A191-Q195 HydrophobicContact CB-CG 4.05Å; A191-V196 HydrophobicContact CB-CG2 4.05Å; A191-M199 HydrophobicContact CB-CB 4.49Å; A191-M199 HydrophobicContact CB-CG 3.74Å; A191-I217 PolarHBondContact N-O 2.77Å; A191-I217 VanDerWaalsContact N-O 3.15Å; A191-D218 WeakPolarHBondContact O-CA 3.42Å; A191-L219 PolarHBondContact O-N 3.43Å |
| 192 | W | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | trans | -144.9 | 163.1 | 170.5 | 48.7 | 90.8 | 0 | 0 | 0 | 110.3 | E116 Q195 L219 I222 I242 H244 F252 I256 | E116-W192 PolarHBondContact OE1-NE1 3.35Å; W192-Q195 PolarHBondContact O-N 2.71Å; W192-L219 HydrophobicContact CB-CB 4.36Å; W192-L219 HydrophobicContact CD2-CD2 4.47Å; W192-L219 HydrophobicContact CE3-CB 3.95Å; W192-L219 HydrophobicContact CE3-CD2 3.64Å; W192-L219 HydrophobicContact CE3-CG 4.46Å; W192-L219 HydrophobicContact CZ3-CD2 3.83Å; W192-I222 HydrophobicContact CB-CD1 4.23Å; W192-I222 HydrophobicContact CD2-CD1 3.58Å; W192-I222 HydrophobicContact CE3-CD1 4.19Å; W192-I222 HydrophobicContact CG-CD1 3.6Å; W192-I222 HydrophobicContact CZ2-CD1 4.36Å; W192-I242 HydrophobicContact CH2-CG2 4.28Å; W192-I242 HydrophobicContact CZ3-CG2 4.14Å; W192-H244 HydrophobicContact CH2-CB 4.02Å; W192-H244 AromaticContact CH2-CD2 3.79Å; W192-H244 HydrophobicContact CZ2-CB 3.39Å; W192-H244 AromaticContact CZ2-CD2 3.85Å; W192-H244 AromaticContact CZ2-CG 3.82Å; W192-F252 HydrophobicContact CH2-CB 4Å; W192-F252 AromaticContact CH2-CD1 3.81Å; W192-F252 HydrophobicContact CH2-CD1 3.81Å; W192-F252 HydrophobicContact CH2-CG 4.41Å; W192-F252 HydrophobicContact CZ2-CB 3.88Å; W192-F252 HydrophobicContact CZ2-CD1 4.19Å; W192-F252 HydrophobicContact CZ3-CD1 4.24Å; W192-I256 HydrophobicContact CH2-CD1 3.96Å; W192-I256 HydrophobicContact CZ3-CD1 3.59Å | ||
| 193 | G | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | -140.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q195 V196 | G193-Q195 PolarHBondContact O-N 3.11Å; G193-V196 PolarHBondContact O-N 3.38Å |
| 194 | T | 98 | Very high | 98.3 | Very high | 23 Ų | 23 | 38 Ų | 38 | 14% | 0.141 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -32.8 | 179.9 | -43.2 | 0 | 0 | 0 | 0 | 112.6 | I157 L158 V196 H197 E245 | I157-T194 HydrophobicContact CG2-CG2 3.75Å; I157-T194 WeakPolarHBondContact CG2-OG1 3.47Å; L158-T194 HydrophobicContact CD2-CG2 4.2Å; T194-V196 PolarHBondContact O-N 3.2Å; T194-V196 VanDerWaalsContact O-N 3.12Å; T194-H197 PolarHBondContact O-CD2 3.29Å; T194-H197 PolarHBondContact O-N 2.88Å; T194-E245 VanDerWaalsContact CB-OE1 3.3Å; T194-E245 WeakPolarHBondContact CB-OE1 3.38Å; T194-E245 PolarHBondContact OG1-OE1 2.95Å |
| 195 | Q | 98.4 | Very high | 98.3 | Very high | 40 Ų | 40 | 41.8 Ų | 41.8 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.2 | -19.2 | -173.6 | -163 | 66.3 | 9.4 | 0 | 0 | 113 | A191 W192 G193 H197 I198 M199 A243 | A191-Q195 HydrophobicContact CB-CB 4.02Å; A191-Q195 HydrophobicContact CB-CG 4.05Å; W192-Q195 PolarHBondContact O-N 2.71Å; G193-Q195 PolarHBondContact O-N 3.11Å; Q195-H197 VanDerWaalsContact C-N 3.31Å; Q195-H197 PolarHBondContact O-N 3.46Å; Q195-I198 WeakPolarHBondContact O-CB 3.45Å; Q195-I198 PolarHBondContact O-N 3.07Å; Q195-M199 PolarHBondContact O-N 3.02Å; Q195-A243 HydrophobicContact CG-CB 3.73Å |
| 196 | V | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 173.2 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | R131 L181 A191 G193 T194 I198 M199 K200 D218 | R131-V196 HydrophobicContact CB-CB 4.16Å; R131-V196 HydrophobicContact CB-CG2 4.24Å; L181-V196 HydrophobicContact CD1-CG1 3.37Å; A191-V196 HydrophobicContact CB-CG2 4.05Å; G193-V196 PolarHBondContact O-N 3.38Å; T194-V196 PolarHBondContact O-N 3.2Å; T194-V196 VanDerWaalsContact O-N 3.12Å; V196-I198 VanDerWaalsContact C-N 3.31Å; V196-I198 PolarHBondContact O-N 2.89Å; V196-M199 PolarHBondContact O-N 3.13Å; V196-K200 WeakPolarHBondContact O-CG 3.41Å; V196-K200 PolarHBondContact O-N 2.89Å; V196-D218 HydrophobicContact CG1-CB 4.12Å; V196-D218 HydrophobicContact CG2-CB 4Å |
| 197 | H | 97.6 | Very high | 98.4 | Very high | 61 Ų | 61 | 40.9 Ų | 40.9 | 28% | 0.282 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.4 | -39.9 | 177.9 | -58.6 | -64 | 0 | 0 | 0 | 111.1 | R131 T194 Q195 M199 K200 E201 | R131-H197 PolarHBondContact O-CE1 3.33Å; R131-H197 PolarHBondContact O-NE2 3.33Å; T194-H197 PolarHBondContact O-CD2 3.29Å; T194-H197 PolarHBondContact O-N 2.88Å; Q195-H197 VanDerWaalsContact C-N 3.31Å; Q195-H197 PolarHBondContact O-N 3.46Å; H197-M199 VanDerWaalsContact C-N 3.34Å; H197-M199 PolarHBondContact O-N 3.04Å; H197-K200 PolarHBondContact O-N 3.07Å; H197-E201 PolarHBondContact O-N 3.46Å; H197-E201 VanDerWaalsContact O-N 3.15Å |
| 198 | I | 97.8 | Very high | 98.4 | Very high | 70 Ų | 70 | 47.5 Ų | 47.5 | 36% | 0.359 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61.8 | -42.6 | 173.9 | -54.2 | -57.6 | 0 | 0 | 0 | 110.7 | Q195 V196 K200 E201 V202 | Q195-I198 WeakPolarHBondContact O-CB 3.45Å; Q195-I198 PolarHBondContact O-N 3.07Å; V196-I198 VanDerWaalsContact C-N 3.31Å; V196-I198 PolarHBondContact O-N 2.89Å; I198-K200 VanDerWaalsContact C-N 3.33Å; I198-K200 PolarHBondContact O-N 3.42Å; I198-E201 PolarHBondContact O-N 2.94Å; I198-V202 HydrophobicContact CG2-CG2 4.36Å; I198-V202 VanDerWaalsContact O-CG2 3.31Å; I198-V202 WeakPolarHBondContact O-CG2 3.45Å; I198-V202 PolarHBondContact O-N 3.13Å |
| 199 | M | 98.2 | Very high | 98.3 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 4% | 0.044 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 177.8 | -75.3 | -58 | 158.6 | 0 | 0 | 113.6 | L189 A191 Q195 V196 H197 V202 A203 V216 L241 A243 | L189-M199 HydrophobicContact CB-CB 4.32Å; L189-M199 HydrophobicContact CB-CG 4.31Å; L189-M199 HydrophobicContact CB-SD 3.82Å; L189-M199 HydrophobicContact CD1-SD 4.02Å; L189-M199 HydrophobicContact CD2-SD 4.37Å; L189-M199 HydrophobicContact CG-SD 4.28Å; A191-M199 HydrophobicContact CB-CB 4.49Å; A191-M199 HydrophobicContact CB-CG 3.74Å; Q195-M199 PolarHBondContact O-N 3.02Å; V196-M199 PolarHBondContact O-N 3.13Å; H197-M199 VanDerWaalsContact C-N 3.34Å; H197-M199 PolarHBondContact O-N 3.04Å; M199-V202 PolarHBondContact O-N 2.8Å; M199-A203 WeakPolarHBondContact O-CB 2.92Å; M199-A203 PolarHBondContact O-N 3.38Å; M199-V216 HydrophobicContact CB-CG1 4.03Å; M199-L241 HydrophobicContact CE-CD2 3.3Å; M199-L241 HydrophobicContact SD-CD2 3.98Å; M199-A243 HydrophobicContact CE-CB 3.1Å |
| 200 | K | 98.2 | Very high | 98.3 | Very high | 90 Ų | 90 | 61 Ų | 61 | 39% | 0.391 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 172.7 | -68.9 | 176.7 | 69 | 177.5 | 0 | 111.5 | L181 V196 H197 I198 A203 Q204 V216 | L181-K200 HydrophobicContact CD1-CD 4.27Å; V196-K200 WeakPolarHBondContact O-CG 3.41Å; V196-K200 PolarHBondContact O-N 2.89Å; H197-K200 PolarHBondContact O-N 3.07Å; I198-K200 VanDerWaalsContact C-N 3.33Å; I198-K200 PolarHBondContact O-N 3.42Å; K200-A203 PolarHBondContact O-N 3.28Å; K200-Q204 WeakPolarHBondContact O-CG 3.16Å; K200-Q204 PolarHBondContact O-N 2.9Å; K200-Q204 VanDerWaalsContact O-N 3.11Å; K200-V216 HydrophobicContact CG-CG1 4Å |
| 201 | E | 98.3 | Very high | 98.2 | Very high | 120 Ų | 120 | 63.8 Ų | 63.8 | 56% | 0.561 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64.3 | -42.3 | 175.6 | -68.9 | 177.1 | -168.7 | 0 | 0 | 111.8 | H197 I198 A203 Q204 L205 | H197-E201 PolarHBondContact O-N 3.46Å; H197-E201 VanDerWaalsContact O-N 3.15Å; I198-E201 PolarHBondContact O-N 2.94Å; E201-A203 PolarHBondContact O-N 3.32Å; E201-Q204 PolarHBondContact O-N 3.19Å; E201-L205 WeakPolarHBondContact O-CB 3.49Å; E201-L205 PolarHBondContact O-N 2.85Å |
| 202 | V | 98.4 | Very high | 98.2 | Very high | 57 Ų | 57 | 66.9 Ų | 66.9 | 35% | 0.345 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 175.7 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | L189 I198 M199 Q204 L205 A206 | L189-V202 HydrophobicContact CD1-CB 4.37Å; L189-V202 HydrophobicContact CD1-CG1 3.98Å; I198-V202 HydrophobicContact CG2-CG2 4.36Å; I198-V202 VanDerWaalsContact O-CG2 3.31Å; I198-V202 WeakPolarHBondContact O-CG2 3.45Å; I198-V202 PolarHBondContact O-N 3.13Å; M199-V202 PolarHBondContact O-N 2.8Å; V202-Q204 PolarHBondContact O-N 3.33Å; V202-L205 PolarHBondContact O-N 3.02Å; V202-A206 VanDerWaalsContact O-CB 3.3Å; V202-A206 WeakPolarHBondContact O-CB 3.11Å; V202-A206 PolarHBondContact O-N 3.2Å |
| 203 | A | 98.6 | Very high | 98.2 | Very high | 8 Ų | 8 | 68.3 Ų | 68.3 | 7% | 0.066 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L189 M199 K200 E201 A206 K207 C214 V216 | L189-A203 HydrophobicContact CD1-CB 4Å; M199-A203 WeakPolarHBondContact O-CB 2.92Å; M199-A203 PolarHBondContact O-N 3.38Å; K200-A203 PolarHBondContact O-N 3.28Å; E201-A203 PolarHBondContact O-N 3.32Å; A203-A206 PolarHBondContact O-N 3.36Å; A203-K207 WeakPolarHBondContact O-CB 3.32Å; A203-K207 PolarHBondContact O-N 2.58Å; A203-C214 HydrophobicContact CB-CB 4.07Å; A203-V216 HydrophobicContact CB-CG2 3.5Å; A203-V216 VanDerWaalsContact CB-CG2 3.5Å |
| 204 | Q | 98.4 | Very high | 98.2 | Very high | 118 Ų | 118 | 68.6 Ų | 68.6 | 55% | 0.551 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.4 | -45.6 | 175.6 | -70.6 | 174.4 | -0.1 | 0 | 0 | 111.5 | K200 E201 V202 K207 Q208 | K200-Q204 WeakPolarHBondContact O-CG 3.16Å; K200-Q204 PolarHBondContact O-N 2.9Å; K200-Q204 VanDerWaalsContact O-N 3.11Å; E201-Q204 PolarHBondContact O-N 3.19Å; V202-Q204 PolarHBondContact O-N 3.33Å; Q204-K207 PolarHBondContact O-N 3.42Å; Q204-Q208 WeakPolarHBondContact O-CB 3.44Å; Q204-Q208 VanDerWaalsContact O-CG 3.29Å; Q204-Q208 WeakPolarHBondContact O-CG 3.34Å; Q204-Q208 PolarHBondContact O-N 2.97Å |
| 205 | L | 98.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 67.5 Ų | 67.5 | 42% | 0.424 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 178.3 | -173.9 | 67 | 0 | 0 | 0 | 111.8 | E201 V202 K207 Q208 K209 | E201-L205 WeakPolarHBondContact O-CB 3.49Å; E201-L205 PolarHBondContact O-N 2.85Å; V202-L205 PolarHBondContact O-N 3.02Å; L205-K207 VanDerWaalsContact C-N 3.34Å; L205-K207 PolarHBondContact O-N 3.26Å; L205-Q208 PolarHBondContact O-N 3.24Å; L205-K209 HydrophobicContact CD1-CD 3.66Å; L205-K209 VanDerWaalsContact CD1-CE 3.47Å; L205-K209 HydrophobicContact CD1-CG 4.06Å; L205-K209 HydrophobicContact CG-CD 4.09Å; L205-K209 WeakPolarHBondContact O-CB 3.44Å; L205-K209 PolarHBondContact O-N 2.98Å |
| 206 | A | 98.2 | Very high | 98.2 | Very high | 15 Ų | 15 | 65.7 Ų | 65.7 | 12% | 0.124 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | V202 A203 F210 G211 I212 | V202-A206 VanDerWaalsContact O-CB 3.3Å; V202-A206 WeakPolarHBondContact O-CB 3.11Å; V202-A206 PolarHBondContact O-N 3.2Å; A203-A206 PolarHBondContact O-N 3.36Å; A206-F210 CarbonylContact O-C 3.53Å; A206-F210 WeakPolarHBondContact O-CA 3.45Å; A206-F210 WeakPolarHBondContact O-CB 3.38Å; A206-F210 PolarHBondContact O-N 2.98Å; A206-G211 PolarHBondContact O-N 2.93Å; A206-I212 CarbonylContact C-O 3.59Å; A206-I212 HydrophobicContact CB-CB 4.22Å; A206-I212 HydrophobicContact CB-CG2 4.46Å; A206-I212 PolarHBondContact O-N 3.39Å |
| 207 | K | 98.3 | Very high | 98.3 | Very high | 139 Ų | 139 | 65.9 Ų | 65.9 | 60% | 0.604 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -62.4 | -46.8 | 175.1 | -173.9 | 172.3 | -177.2 | 171.5 | 0 | 112 | A203 Q204 L205 G211 I212 | A203-K207 WeakPolarHBondContact O-CB 3.32Å; A203-K207 PolarHBondContact O-N 2.58Å; Q204-K207 PolarHBondContact O-N 3.42Å; L205-K207 VanDerWaalsContact C-N 3.34Å; L205-K207 PolarHBondContact O-N 3.26Å; K207-G211 VanDerWaalsContact O-CA 3.3Å; K207-G211 WeakPolarHBondContact O-CA 3.38Å; K207-G211 PolarHBondContact O-N 2.99Å; K207-G211 VanDerWaalsContact O-N 3.09Å; K207-I212 WeakPolarHBondContact CA-O 3.29Å; K207-I212 PolarHBondContact N-O 3.19Å; K207-I212 VanDerWaalsContact N-O 3.15Å |
| 208 | Q | 98.1 | Very high | 98.3 | Very high | 154 Ų | 154 | 63 Ų | 63 | 72% | 0.72 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68.7 | -41.6 | -177.4 | -72.4 | 173.1 | 7.4 | 0 | 0 | 113.4 | Q204 L205 | Q204-Q208 WeakPolarHBondContact O-CB 3.44Å; Q204-Q208 VanDerWaalsContact O-CG 3.29Å; Q204-Q208 WeakPolarHBondContact O-CG 3.34Å; Q204-Q208 PolarHBondContact O-N 2.97Å; L205-Q208 PolarHBondContact O-N 3.24Å |
| 209 | K | 98.2 | Very high | 98.4 | Very high | 139 Ų | 139 | 59.7 Ų | 59.7 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -90.2 | -32.2 | -173.7 | -71 | -171.1 | 171.5 | 179.1 | 0 | 114.1 | L205 | L205-K209 HydrophobicContact CD1-CD 3.66Å; L205-K209 VanDerWaalsContact CD1-CE 3.47Å; L205-K209 HydrophobicContact CD1-CG 4.06Å; L205-K209 HydrophobicContact CG-CD 4.09Å; L205-K209 WeakPolarHBondContact O-CB 3.44Å; L205-K209 PolarHBondContact O-N 2.98Å |
| 210 | F | 97.8 | Very high | 98.4 | Very high | 151 Ų | 151 | 60 Ų | 60 | 66% | 0.662 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -126 | -3.2 | -169.9 | -53.1 | -67.3 | 0 | 0 | 0 | 113.4 | A206 I212 | A206-F210 CarbonylContact O-C 3.53Å; A206-F210 WeakPolarHBondContact O-CA 3.45Å; A206-F210 WeakPolarHBondContact O-CB 3.38Å; A206-F210 PolarHBondContact O-N 2.98Å; F210-I212 HydrophobicContact CB-CB 4.49Å; F210-I212 HydrophobicContact CB-CD1 3.68Å; F210-I212 HydrophobicContact CB-CG1 3.78Å; F210-I212 HydrophobicContact CG-CD1 4.41Å; F210-I212 PolarHBondContact O-N 3.38Å |
| 211 | G | 97.7 | Very high | 98.4 | Very high | 60 Ų | 60 | 55.7 Ų | 55.7 | 62% | 0.619 | 29% | 0.285 | S | S | * | . | trans | 67.6 | 16.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A206 K207 | A206-G211 PolarHBondContact O-N 2.93Å; K207-G211 VanDerWaalsContact O-CA 3.3Å; K207-G211 WeakPolarHBondContact O-CA 3.38Å; K207-G211 PolarHBondContact O-N 2.99Å; K207-G211 VanDerWaalsContact O-N 3.09Å | ||
| 212 | I | 98 | Very high | 98.4 | Very high | 65 Ų | 65 | 50 Ų | 50 | 33% | 0.333 | 26% | 0.258 | S | S | . | . | trans | -86.2 | 125.1 | -177.6 | -63.9 | 173.4 | 0 | 0 | 0 | 109.2 | D186 A206 K207 F210 | D186-I212 HydrophobicContact CB-CG2 3.74Å; A206-I212 CarbonylContact C-O 3.59Å; A206-I212 HydrophobicContact CB-CB 4.22Å; A206-I212 HydrophobicContact CB-CG2 4.46Å; A206-I212 PolarHBondContact O-N 3.39Å; K207-I212 WeakPolarHBondContact CA-O 3.29Å; K207-I212 PolarHBondContact N-O 3.19Å; K207-I212 VanDerWaalsContact N-O 3.15Å; F210-I212 HydrophobicContact CB-CB 4.49Å; F210-I212 HydrophobicContact CB-CD1 3.68Å; F210-I212 HydrophobicContact CB-CG1 3.78Å; F210-I212 HydrophobicContact CG-CD1 4.41Å; F210-I212 PolarHBondContact O-N 3.38Å | ||
| 213 | S | 98.3 | Very high | 98.5 | Very high | 34 Ų | 34 | 48.8 Ų | 48.8 | 24% | 0.238 | 25% | 0.25 | C | S | . | . | trans | -100.8 | 118.4 | 176.6 | -166.6 | 0 | 0 | 0 | 0 | 111 | G184 N185 D186 | G184-S213 VanDerWaalsContact CA-OG 3.31Å; G184-S213 WeakPolarHBondContact CA-OG 3.5Å; N185-S213 PolarHBondContact N-O 3.14Å; D186-S213 WeakPolarHBondContact CB-O 3.29Å; D186-S213 PolarHBondContact N-O 3.12Å; D186-S213 PolarHBondContact OD2-N 3.02Å | ||
| 214 | C | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.6 | -175.2 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | A187 L189 A203 | A187-C214 CarbonylContact O-C 3.53Å; A187-C214 WeakPolarHBondContact O-CA 3.43Å; L189-C214 HydrophobicContact CD1-CB 3.87Å; L189-C214 HydrophobicContact CG-CB 3.86Å; A203-C214 HydrophobicContact CB-CB 4.07Å |
| 215 | D | 98.7 | Very high | 98.5 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 134.6 | 154 | -85.2 | -8.7 | 0 | 0 | 0 | 108.3 | L180 C182 E183 G184 A187 T188 L189 S233 K236 | L180-D215 HydrophobicContact CD1-CB 3.87Å; C182-D215 CarbonylContact O-C 3.53Å; C182-D215 VanDerWaalsContact O-CA 3.25Å; C182-D215 WeakPolarHBondContact O-CA 3.29Å; E183-D215 WeakPolarHBondContact CA-OD1 3.4Å; G184-D215 PolarHBondContact N-OD1 2.64Å; G184-D215 VanDerWaalsContact O-OD1 3.07Å; A187-D215 PolarHBondContact O-N 3.06Å; T188-D215 HydrophobicContact CG2-CB 4.42Å; L189-D215 WeakPolarHBondContact CB-O 3.01Å; L189-D215 PolarHBondContact N-O 3.3Å; D215-S233 WeakPolarHBondContact CB-OG 3.35Å; D215-S233 WeakPolarHBondContact OD2-CB 3.3Å; D215-S233 PolarHBondContact OD2-OG 3.29Å; D215-K236 IonicContact OD1-NZ 3.88Å; D215-K236 PolarHBondContact OD1-NZ 2.99Å; D215-K236 WeakPolarHBondContact OD2-CE 3.41Å; D215-K236 IonicContact OD2-NZ 2.71Å; D215-K236 PolarHBondContact OD2-NZ 3.13Å |
| 216 | V | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 115.2 | 169.6 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | L181 C182 L189 M199 K200 A203 | L181-V216 PolarHBondContact N-O 2.79Å; C182-V216 HydrophobicContact CB-CB 3.93Å; C182-V216 HydrophobicContact CB-CG2 3.89Å; C182-V216 PolarHBondContact O-N 2.84Å; L189-V216 HydrophobicContact CB-CG2 4.46Å; L189-V216 HydrophobicContact CD1-CG2 4.34Å; L189-V216 WeakPolarHBondContact O-CA 3.36Å; M199-V216 HydrophobicContact CB-CG1 4.03Å; K200-V216 HydrophobicContact CG-CG1 4Å; A203-V216 HydrophobicContact CB-CG2 3.5Å; A203-V216 VanDerWaalsContact CB-CG2 3.5Å |
| 217 | I | 98.9 | Very high | 98.5 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.9 | -177.1 | -60.6 | 179.5 | 0 | 0 | 0 | 109.7 | A178 E179 L180 T188 L189 L190 A191 S233 | A178-I217 HydrophobicContact CB-CG2 3.82Å; E179-I217 WeakPolarHBondContact O-CA 3.38Å; L180-I217 HydrophobicContact CD1-CD1 4.43Å; L180-I217 HydrophobicContact CD1-CG1 3.75Å; T188-I217 HydrophobicContact CG2-CD1 3.82Å; T188-I217 HydrophobicContact CG2-CG1 4.42Å; L189-I217 PolarHBondContact O-N 2.76Å; L190-I217 HydrophobicContact CD1-CB 3.66Å; L190-I217 HydrophobicContact CD1-CG2 3.45Å; L190-I217 VanDerWaalsContact CD1-CG2 3.45Å; A191-I217 PolarHBondContact N-O 2.77Å; A191-I217 VanDerWaalsContact N-O 3.15Å; I217-S233 VanDerWaalsContact CD1-CB 3.45Å |
| 218 | D | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 119.3 | 163.3 | -175.2 | -7.1 | 0 | 0 | 0 | 109.4 | R131 A178 E179 L181 A191 V196 R220 | R131-D218 WeakPolarHBondContact CB-OD2 3.42Å; R131-D218 WeakPolarHBondContact CD-OD2 3.41Å; R131-D218 WeakPolarHBondContact CG-OD2 3.49Å; R131-D218 IonicContact CZ-OD2 3.7Å; R131-D218 IonicContact NE-OD2 3.89Å; R131-D218 IonicContact NH1-OD2 2.74Å; R131-D218 PolarHBondContact NH1-OD2 3Å; A178-D218 CarbonylContact C-O 3.4Å; A178-D218 VanDerWaalsContact CA-O 3.26Å; A178-D218 WeakPolarHBondContact CA-O 3.27Å; A178-D218 WeakPolarHBondContact CB-O 3.32Å; E179-D218 PolarHBondContact N-O 3.02Å; E179-D218 PolarHBondContact O-N 3.12Å; L181-D218 HydrophobicContact CD1-CB 4.01Å; L181-D218 HydrophobicContact CG-CB 4.42Å; A191-D218 WeakPolarHBondContact O-CA 3.42Å; V196-D218 HydrophobicContact CG1-CB 4.12Å; V196-D218 HydrophobicContact CG2-CB 4Å; D218-R220 HydrophobicContact CB-CG 4.39Å; D218-R220 PolarHBondContact OD1-N 3Å |
| 219 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -71.2 | -32.3 | -177.7 | -169.3 | 68.1 | 0 | 0 | 0 | 112.9 | L190 A191 W192 T221 I222 W225 V230 F252 I256 | L190-L219 HydrophobicContact CD1-CB 4.17Å; L190-L219 HydrophobicContact CD1-CD1 4.23Å; A191-L219 PolarHBondContact O-N 3.43Å; W192-L219 HydrophobicContact CB-CB 4.36Å; W192-L219 HydrophobicContact CD2-CD2 4.47Å; W192-L219 HydrophobicContact CE3-CB 3.95Å; W192-L219 HydrophobicContact CE3-CD2 3.64Å; W192-L219 HydrophobicContact CE3-CG 4.46Å; W192-L219 HydrophobicContact CZ3-CD2 3.83Å; L219-T221 PolarHBondContact O-N 3.26Å; L219-I222 HydrophobicContact CD2-CD1 4.14Å; L219-W225 HydrophobicContact CD1-CB 4.11Å; L219-W225 HydrophobicContact CD1-CE3 4.01Å; L219-W225 HydrophobicContact CD2-CB 4.25Å; L219-W225 HydrophobicContact CG-CB 4.42Å; L219-V230 HydrophobicContact CD1-CG2 4.16Å; L219-F252 HydrophobicContact CD2-CD1 4.21Å; L219-F252 HydrophobicContact CD2-CE1 3.81Å; L219-I256 HydrophobicContact CD2-CD1 3.87Å | ||
| 220 | R | 98.8 | Very high | 98.5 | Very high | 15 Ų | 15 | 34.4 Ų | 34.4 | 6% | 0.057 | 19% | 0.191 | C | C | . | . | trans | 58.9 | -57.1 | -177.8 | -59.1 | 167.3 | 161.2 | -168.2 | -8.4 | 116.5 | M129 E135 L139 K177 E179 D218 | M129-R220 PolarHBondContact N-O 3.25Å; E135-R220 IonicContact OE1-CZ 3.63Å; E135-R220 VanDerWaalsContact OE1-CZ 3.23Å; E135-R220 IonicContact OE1-NE 2.65Å; E135-R220 PolarHBondContact OE1-NE 3.45Å; E135-R220 IonicContact OE1-NH2 3.88Å; E135-R220 PolarHBondContact OE1-NH2 3.43Å; E135-R220 VanDerWaalsContact OE1-NH2 3.12Å; L139-R220 HydrophobicContact CD1-CB 4.05Å; L139-R220 HydrophobicContact CD1-CG 4.29Å; K177-R220 WeakPolarHBondContact O-CD 3.37Å; E179-R220 VanDerWaalsContact CB-CZ 3.46Å; E179-R220 IonicContact OE1-NH2 3.25Å; E179-R220 PolarHBondContact OE1-NH2 2.77Å; E179-R220 IonicContact OE2-CZ 2.76Å; E179-R220 IonicContact OE2-NE 3.23Å; E179-R220 IonicContact OE2-NH2 3.78Å; E179-R220 PolarHBondContact OE2-NH2 3.17Å; D218-R220 HydrophobicContact CB-CG 4.39Å; D218-R220 PolarHBondContact OD1-N 3Å | ||
| 221 | T | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 120.5 | 179.6 | -55.3 | 0 | 0 | 0 | 0 | 109.7 | V127 V128 S176 L219 L223 P224 W225 | V127-T221 CarbonylContact O-C 3.59Å; V127-T221 WeakPolarHBondContact O-CG2 3.47Å; V128-T221 HydrophobicContact CG2-CG2 4.18Å; S176-T221 PolarHBondContact N-OG1 3.03Å; L219-T221 PolarHBondContact O-N 3.26Å; T221-L223 VanDerWaalsContact CG2-O 3.31Å; T221-L223 WeakPolarHBondContact CG2-O 3.42Å; T221-P224 WeakPolarHBondContact CG2-O 3.46Å; T221-W225 WeakPolarHBondContact O-CA 3.37Å; T221-W225 WeakPolarHBondContact O-CB 3.42Å |
| 222 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -41.2 | 176.6 | -53.2 | -55.8 | 0 | 0 | 0 | 110.4 | E116 A120 V127 W192 L219 W225 F252 | E116-I222 HydrophobicContact CB-CG1 4.05Å; E116-I222 HydrophobicContact CB-CG2 4.2Å; E116-I222 HydrophobicContact CG-CD1 4.42Å; E116-I222 HydrophobicContact CG-CG1 4.2Å; E116-I222 HydrophobicContact CG-CG2 4.31Å; A120-I222 HydrophobicContact CB-CG2 3.99Å; V127-I222 HydrophobicContact CB-CB 4.06Å; V127-I222 HydrophobicContact CG1-CB 4.01Å; V127-I222 HydrophobicContact CG1-CG1 4.19Å; V127-I222 PolarHBondContact O-N 2.86Å; W192-I222 HydrophobicContact CB-CD1 4.23Å; W192-I222 HydrophobicContact CD2-CD1 3.58Å; W192-I222 HydrophobicContact CE3-CD1 4.19Å; W192-I222 HydrophobicContact CG-CD1 3.6Å; W192-I222 HydrophobicContact CZ2-CD1 4.36Å; L219-I222 HydrophobicContact CD2-CD1 4.14Å; I222-W225 WeakPolarHBondContact O-CB 3.47Å; I222-F252 HydrophobicContact CD1-CD1 4.37Å; I222-F252 HydrophobicContact CG2-CB 4.39Å; I222-F252 HydrophobicContact CG2-CD1 3.64Å; I222-F252 HydrophobicContact CG2-CD2 3.74Å; I222-F252 HydrophobicContact CG2-CE1 3.76Å; I222-F252 HydrophobicContact CG2-CE2 3.86Å; I222-F252 HydrophobicContact CG2-CG 3.63Å; I222-F252 HydrophobicContact CG2-CZ 3.87Å; I222-F252 WeakPolarHBondContact O-CE1 3.36Å; I222-F252 WeakPolarHBondContact O-CZ 3.27Å |
| 223 | L | 98.7 | Very high | 98.4 | Very high | 33 Ų | 33 | 26.7 Ų | 26.7 | 17% | 0.173 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 127.4 | 179.3 | -176.4 | 70.8 | 0 | 0 | 0 | 110 | L125 K126 V127 T221 | L125-L223 HydrophobicContact CB-CD2 4.33Å; L125-L223 WeakPolarHBondContact O-CD2 3.38Å; K126-L223 CarbonylContact C-O 3.6Å; K126-L223 WeakPolarHBondContact CA-O 3.29Å; V127-L223 HydrophobicContact CB-CB 4.21Å; V127-L223 HydrophobicContact CG2-CB 4.2Å; V127-L223 PolarHBondContact N-O 2.79Å; V127-L223 PolarHBondContact O-N 3.42Å; T221-L223 VanDerWaalsContact CG2-O 3.31Å; T221-L223 WeakPolarHBondContact CG2-O 3.42Å |
| 224 | P | 98.7 | Very high | 98.4 | Very high | 62 Ų | 62 | 25.4 Ų | 25.4 | 40% | 0.403 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -65.1 | 134.8 | -24 | -16 | 29.9 | 0 | 0 | 0 | 110.9 | S176 T221 | S176-P224 WeakPolarHBondContact CA-O 3.42Å; S176-P224 WeakPolarHBondContact CB-O 3.27Å; S176-P224 PolarHBondContact OG-O 2.92Å; T221-P224 WeakPolarHBondContact CG2-O 3.46Å |
| 225 | W | 98.7 | Very high | 98.3 | Very high | 24 Ų | 24 | 32.4 Ų | 32.4 | 9% | 0.091 | 17% | 0.167 | C | C | . | . | trans | -85 | 160.5 | 179 | 67.6 | -73.2 | 0 | 0 | 0 | 112.3 | L219 T221 I222 E227 V230 Y231 F252 I256 | L219-W225 HydrophobicContact CD1-CB 4.11Å; L219-W225 HydrophobicContact CD1-CE3 4.01Å; L219-W225 HydrophobicContact CD2-CB 4.25Å; L219-W225 HydrophobicContact CG-CB 4.42Å; T221-W225 WeakPolarHBondContact O-CA 3.37Å; T221-W225 WeakPolarHBondContact O-CB 3.42Å; I222-W225 WeakPolarHBondContact O-CB 3.47Å; W225-E227 HydrophobicContact CD2-CG 3.88Å; W225-E227 VanDerWaalsContact CE2-CG 3.48Å; W225-E227 HydrophobicContact CE3-CG 4.2Å; W225-E227 HydrophobicContact CH2-CB 4.39Å; W225-E227 HydrophobicContact CH2-CG 3.85Å; W225-E227 HydrophobicContact CZ2-CB 4.49Å; W225-E227 HydrophobicContact CZ2-CG 3.49Å; W225-E227 VanDerWaalsContact CZ2-CG 3.49Å; W225-E227 HydrophobicContact CZ3-CB 4.48Å; W225-E227 HydrophobicContact CZ3-CG 4.19Å; W225-E227 PolarHBondContact O-N 3.24Å; W225-E227 VanDerWaalsContact O-N 3.11Å; W225-V230 HydrophobicContact CE3-CG2 4.12Å; W225-V230 HydrophobicContact CZ3-CB 3.8Å; W225-V230 HydrophobicContact CZ3-CG1 4.16Å; W225-V230 HydrophobicContact CZ3-CG2 3.76Å; W225-Y231 AromaticContact CH2-CE1 3.85Å; W225-Y231 HydrophobicContact CH2-CE1 3.85Å; W225-F252 HydrophobicContact CB-CE1 4.24Å; W225-F252 HydrophobicContact CB-CZ 4.19Å; W225-F252 AromaticContact CD1-CZ 3.69Å; W225-F252 HydrophobicContact CG-CE1 4.23Å; W225-F252 AromaticContact CG-CZ 3.94Å; W225-F252 HydrophobicContact CG-CZ 3.94Å; W225-I256 HydrophobicContact CD2-CG1 4.43Å; W225-I256 HydrophobicContact CE3-CG1 4.31Å; W225-I256 HydrophobicContact CH2-CB 4.41Å; W225-I256 HydrophobicContact CH2-CG1 4.33Å; W225-I256 HydrophobicContact CH2-CG2 4.07Å; W225-I256 HydrophobicContact CZ2-CG1 4.44Å; W225-I256 HydrophobicContact CZ3-CG1 4.25Å; W225-I256 HydrophobicContact CZ3-CG2 4.05Å | ||
| 226 | D | 98.7 | Very high | 98.1 | Very high | 14 Ų | 14 | 36.7 Ų | 36.7 | 8% | 0.075 | 19% | 0.186 | C | C | . | . | trans | -85.3 | 78.8 | -178.1 | -166.7 | -0.7 | 0 | 0 | 0 | 111.6 | K177 A178 E228 A229 V230 | K177-D226 WeakPolarHBondContact CA-OD2 3.45Å; K177-D226 IonicContact NZ-OD1 2.66Å; K177-D226 IonicContact NZ-OD2 3.93Å; A178-D226 HydrophobicContact CB-CB 3.85Å; A178-D226 PolarHBondContact N-OD2 3.28Å; D226-E228 VanDerWaalsContact C-N 3.3Å; D226-E228 PolarHBondContact O-N 2.88Å; D226-A229 HydrophobicContact CB-CB 4.26Å; D226-A229 PolarHBondContact O-N 2.85Å; D226-A229 PolarHBondContact OD1-N 3.13Å; D226-A229 WeakPolarHBondContact OD2-CB 3.48Å; D226-V230 PolarHBondContact O-N 3.42Å | ||
| 227 | E | 98.3 | Very high | 98 | Very high | 90 Ų | 90 | 37 Ų | 37 | 42% | 0.421 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -51.8 | -46.4 | 178.4 | -73.9 | -172.6 | -125.5 | 0 | 0 | 112.8 | W225 A229 V230 Y231 | W225-E227 HydrophobicContact CD2-CG 3.88Å; W225-E227 VanDerWaalsContact CE2-CG 3.48Å; W225-E227 HydrophobicContact CE3-CG 4.2Å; W225-E227 HydrophobicContact CH2-CB 4.39Å; W225-E227 HydrophobicContact CH2-CG 3.85Å; W225-E227 HydrophobicContact CZ2-CB 4.49Å; W225-E227 HydrophobicContact CZ2-CG 3.49Å; W225-E227 VanDerWaalsContact CZ2-CG 3.49Å; W225-E227 HydrophobicContact CZ3-CB 4.48Å; W225-E227 HydrophobicContact CZ3-CG 4.19Å; W225-E227 PolarHBondContact O-N 3.24Å; W225-E227 VanDerWaalsContact O-N 3.11Å; E227-A229 PolarHBondContact O-N 3.41Å; E227-V230 PolarHBondContact O-N 3.31Å; E227-Y231 HydrophobicContact CB-CD2 4.23Å; E227-Y231 HydrophobicContact CB-CE2 3.63Å; E227-Y231 HydrophobicContact CG-CE2 4.27Å; E227-Y231 WeakPolarHBondContact O-CB 3.38Å; E227-Y231 WeakPolarHBondContact O-CD1 3.43Å; E227-Y231 WeakPolarHBondContact O-CD2 3.48Å; E227-Y231 PolarHBondContact O-N 2.71Å; E227-Y231 WeakPolarHBondContact OE2-CE2 3.48Å; E227-Y231 PolarHBondContact OE2-OH 3.48Å |
| 228 | E | 97.4 | Very high | 97.8 | Very high | 130 Ų | 130 | 39.7 Ų | 39.7 | 61% | 0.607 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -62.6 | -44 | -173.8 | -174.6 | -176.2 | -174.8 | 0 | 0 | 112.1 | D226 V230 Y231 S232 | D226-E228 VanDerWaalsContact C-N 3.3Å; D226-E228 PolarHBondContact O-N 2.88Å; E228-V230 VanDerWaalsContact C-N 3.34Å; E228-V230 PolarHBondContact O-N 2.85Å; E228-Y231 PolarHBondContact O-N 3.25Å; E228-S232 VanDerWaalsContact O-CB 3.24Å; E228-S232 WeakPolarHBondContact O-CB 3.32Å; E228-S232 PolarHBondContact O-N 3Å; E228-S232 PolarHBondContact O-OG 2.95Å |
| 229 | A | 97.9 | Very high | 97.8 | Very high | 31 Ų | 31 | 47.1 Ų | 47.1 | 26% | 0.256 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62 | -43.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A178 D226 E227 S233 | A178-A229 HydrophobicContact CB-CB 4.04Å; D226-A229 HydrophobicContact CB-CB 4.26Å; D226-A229 PolarHBondContact O-N 2.85Å; D226-A229 PolarHBondContact OD1-N 3.13Å; D226-A229 WeakPolarHBondContact OD2-CB 3.48Å; E227-A229 PolarHBondContact O-N 3.41Å; A229-S233 PolarHBondContact O-N 3.16Å; A229-S233 VanDerWaalsContact O-N 3.17Å |
| 230 | V | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69 | -47.9 | 179.3 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | L190 L219 W225 D226 E227 E228 S232 S233 V234 I256 V260 | L190-V230 HydrophobicContact CD1-CG2 3.95Å; L190-V230 HydrophobicContact CD2-CG1 4.18Å; L190-V230 HydrophobicContact CD2-CG2 4.05Å; L219-V230 HydrophobicContact CD1-CG2 4.16Å; W225-V230 HydrophobicContact CE3-CG2 4.12Å; W225-V230 HydrophobicContact CZ3-CB 3.8Å; W225-V230 HydrophobicContact CZ3-CG1 4.16Å; W225-V230 HydrophobicContact CZ3-CG2 3.76Å; D226-V230 PolarHBondContact O-N 3.42Å; E227-V230 PolarHBondContact O-N 3.31Å; E228-V230 VanDerWaalsContact C-N 3.34Å; E228-V230 PolarHBondContact O-N 2.85Å; V230-S232 VanDerWaalsContact C-N 3.31Å; V230-S232 PolarHBondContact O-N 2.88Å; V230-S233 PolarHBondContact O-N 3.26Å; V230-V234 HydrophobicContact CG1-CG2 4.22Å; V230-V234 VanDerWaalsContact O-CG2 3.28Å; V230-V234 WeakPolarHBondContact O-CG2 3.11Å; V230-V234 PolarHBondContact O-N 3.01Å; V230-I256 HydrophobicContact CG1-CG2 4.29Å; V230-V260 HydrophobicContact CG1-CG2 3.75Å |
| 231 | Y | 97.7 | Very high | 97.7 | Very high | 37 Ų | 37 | 52.8 Ų | 52.8 | 15% | 0.145 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 179.1 | -62 | -18.3 | 0 | 0 | 0 | 111.9 | W225 E227 E228 V234 K235 S259 V260 S263 | W225-Y231 AromaticContact CH2-CE1 3.85Å; W225-Y231 HydrophobicContact CH2-CE1 3.85Å; E227-Y231 HydrophobicContact CB-CD2 4.23Å; E227-Y231 HydrophobicContact CB-CE2 3.63Å; E227-Y231 HydrophobicContact CG-CE2 4.27Å; E227-Y231 WeakPolarHBondContact O-CB 3.38Å; E227-Y231 WeakPolarHBondContact O-CD1 3.43Å; E227-Y231 WeakPolarHBondContact O-CD2 3.48Å; E227-Y231 PolarHBondContact O-N 2.71Å; E227-Y231 WeakPolarHBondContact OE2-CE2 3.48Å; E227-Y231 PolarHBondContact OE2-OH 3.48Å; E228-Y231 PolarHBondContact O-N 3.25Å; Y231-V234 PolarHBondContact O-N 2.83Å; Y231-K235 WeakPolarHBondContact O-CB 3.47Å; Y231-K235 PolarHBondContact O-N 3.44Å; Y231-S259 WeakPolarHBondContact OH-CB 3.43Å; Y231-V260 HydrophobicContact CD1-CB 4.44Å; Y231-V260 HydrophobicContact CD1-CG2 3.84Å; Y231-V260 HydrophobicContact CE1-CB 4.32Å; Y231-V260 HydrophobicContact CE1-CG2 3.75Å; Y231-S263 VanDerWaalsContact CE2-OG 3.29Å; Y231-S263 WeakPolarHBondContact CE2-OG 3.33Å |
| 232 | S | 96.8 | Very high | 97.7 | Very high | 69 Ų | 69 | 54.8 Ų | 54.8 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 179.6 | -61.9 | 0 | 0 | 0 | 0 | 111.8 | E228 V230 K236 | E228-S232 VanDerWaalsContact O-CB 3.24Å; E228-S232 WeakPolarHBondContact O-CB 3.32Å; E228-S232 PolarHBondContact O-N 3Å; E228-S232 PolarHBondContact O-OG 2.95Å; V230-S232 VanDerWaalsContact C-N 3.31Å; V230-S232 PolarHBondContact O-N 2.88Å; S232-K236 PolarHBondContact O-N 2.96Å; S232-K236 VanDerWaalsContact O-N 3.14Å |
| 233 | S | 98 | Very high | 97.7 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 6% | 0.056 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 176.9 | 177.6 | 0 | 0 | 0 | 0 | 112 | T188 D215 I217 A229 V230 K235 K236 T237 | T188-S233 WeakPolarHBondContact CB-OG 3.12Å; T188-S233 WeakPolarHBondContact CG2-OG 3.33Å; T188-S233 PolarHBondContact OG1-O 3.08Å; T188-S233 PolarHBondContact OG1-OG 2.84Å; D215-S233 WeakPolarHBondContact CB-OG 3.35Å; D215-S233 WeakPolarHBondContact OD2-CB 3.3Å; D215-S233 PolarHBondContact OD2-OG 3.29Å; I217-S233 VanDerWaalsContact CD1-CB 3.45Å; A229-S233 PolarHBondContact O-N 3.16Å; A229-S233 VanDerWaalsContact O-N 3.17Å; V230-S233 PolarHBondContact O-N 3.26Å; S233-K235 VanDerWaalsContact C-N 3.33Å; S233-K235 PolarHBondContact O-N 3.48Å; S233-K236 WeakPolarHBondContact O-CB 3.45Å; S233-K236 PolarHBondContact O-N 2.95Å; S233-K236 VanDerWaalsContact O-N 3.09Å; S233-T237 WeakPolarHBondContact O-CG2 3.3Å; S233-T237 PolarHBondContact O-N 3.47Å; S233-T237 PolarHBondContact O-OG1 3.42Å |
| 234 | V | 97.7 | Very high | 97.7 | Very high | 8 Ų | 8 | 55.6 Ų | 55.6 | 5% | 0.048 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -69.9 | -32.7 | -178.9 | -176.4 | 0 | 0 | 0 | 0 | 111.5 | T188 V230 Y231 K236 T237 G238 L240 V260 L264 | T188-V234 HydrophobicContact CG2-CG2 4.05Å; V230-V234 HydrophobicContact CG1-CG2 4.22Å; V230-V234 VanDerWaalsContact O-CG2 3.28Å; V230-V234 WeakPolarHBondContact O-CG2 3.11Å; V230-V234 PolarHBondContact O-N 3.01Å; Y231-V234 PolarHBondContact O-N 2.83Å; V234-K236 VanDerWaalsContact C-N 3.27Å; V234-K236 PolarHBondContact O-N 3.21Å; V234-T237 PolarHBondContact O-N 2.81Å; V234-G238 VanDerWaalsContact O-CA 3.28Å; V234-G238 WeakPolarHBondContact O-CA 3.46Å; V234-G238 PolarHBondContact O-N 3.39Å; V234-L240 HydrophobicContact CG1-CB 4.09Å; V234-L240 HydrophobicContact CG2-CB 3.84Å; V234-L240 HydrophobicContact CG2-CD1 3.81Å; V234-L240 HydrophobicContact CG2-CD2 4.11Å; V234-L240 HydrophobicContact CG2-CG 4.12Å; V234-V260 HydrophobicContact CB-CG1 4.24Å; V234-V260 HydrophobicContact CG1-CG1 3.88Å; V234-V260 HydrophobicContact CG2-CG1 4.31Å; V234-L264 HydrophobicContact CB-CD1 3.77Å; V234-L264 HydrophobicContact CG1-CD1 3.34Å |
| 235 | K | 96.3 | Very high | 97.7 | Very high | 152 Ų | 152 | 56 Ų | 56 | 66% | 0.661 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -62.1 | -36.7 | 171.3 | -172.5 | 177.3 | -178.9 | 179 | 0 | 111.7 | Y231 S233 L264 | Y231-K235 WeakPolarHBondContact O-CB 3.47Å; Y231-K235 PolarHBondContact O-N 3.44Å; S233-K235 VanDerWaalsContact C-N 3.33Å; S233-K235 PolarHBondContact O-N 3.48Å; K235-L264 HydrophobicContact CB-CD2 3.89Å; K235-L264 HydrophobicContact CG-CD2 4.4Å |
| 236 | K | 96.1 | Very high | 97.6 | Very high | 92 Ų | 92 | 55.3 Ų | 55.3 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70 | -47.9 | 176 | 179.3 | -174.8 | 61.2 | 164.9 | 0 | 111.7 | G184 D215 S232 S233 V234 | G184-K236 WeakPolarHBondContact O-CE 3.38Å; G184-K236 PolarHBondContact O-NZ 3.38Å; D215-K236 IonicContact OD1-NZ 3.88Å; D215-K236 PolarHBondContact OD1-NZ 2.99Å; D215-K236 WeakPolarHBondContact OD2-CE 3.41Å; D215-K236 IonicContact OD2-NZ 2.71Å; D215-K236 PolarHBondContact OD2-NZ 3.13Å; S232-K236 PolarHBondContact O-N 2.96Å; S232-K236 VanDerWaalsContact O-N 3.14Å; S233-K236 WeakPolarHBondContact O-CB 3.45Å; S233-K236 PolarHBondContact O-N 2.95Å; S233-K236 VanDerWaalsContact O-N 3.09Å; V234-K236 VanDerWaalsContact C-N 3.27Å; V234-K236 PolarHBondContact O-N 3.21Å |
| 237 | T | 96.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -90.2 | -22.3 | -170.2 | 63.9 | 0 | 0 | 0 | 0 | 114 | N185 T188 S233 V234 R239 | N185-T237 WeakPolarHBondContact O-CA 3.23Å; T188-T237 PolarHBondContact N-OG1 3.2Å; T188-T237 WeakPolarHBondContact OG1-CG2 3.49Å; T188-T237 PolarHBondContact OG1-OG1 3.35Å; S233-T237 WeakPolarHBondContact O-CG2 3.3Å; S233-T237 PolarHBondContact O-N 3.47Å; S233-T237 PolarHBondContact O-OG1 3.42Å; V234-T237 PolarHBondContact O-N 2.81Å; T237-R239 PolarHBondContact O-N 3.49Å; T237-R239 PolarHBondContact O-NH1 3.44Å; T237-R239 PolarHBondContact OG1-N 3.43Å; T237-R239 PolarHBondContact OG1-O 2.95Å; T237-R239 VanDerWaalsContact OG1-O 3.06Å |
| 238 | G | 95 | Very high | 97.6 | Very high | 63 Ų | 63 | 62.5 Ų | 62.5 | 65% | 0.649 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 69 | 3.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V234 | V234-G238 VanDerWaalsContact O-CA 3.28Å; V234-G238 WeakPolarHBondContact O-CA 3.46Å; V234-G238 PolarHBondContact O-N 3.39Å |
| 239 | R | 97 | Very high | 97.7 | Very high | 155 Ų | 155 | 61.7 Ų | 61.7 | 59% | 0.585 | 34% | 0.338 | S | S | * | . | trans | -142.9 | 138.6 | -176.1 | -56.5 | -179.7 | -172.6 | 78.2 | 2.9 | 110.5 | D186 A187 T188 T237 | D186-R239 WeakPolarHBondContact O-CD 3.46Å; D186-R239 PolarHBondContact O-NH1 3.03Å; A187-R239 HydrophobicContact CB-CB 4.08Å; T188-R239 WeakPolarHBondContact CB-O 3.2Å; T188-R239 PolarHBondContact N-O 2.84Å; T237-R239 PolarHBondContact O-N 3.49Å; T237-R239 PolarHBondContact O-NH1 3.44Å; T237-R239 PolarHBondContact OG1-N 3.43Å; T237-R239 PolarHBondContact OG1-O 2.95Å; T237-R239 VanDerWaalsContact OG1-O 3.06Å | ||
| 240 | L | 98.4 | Very high | 97.6 | Very high | 50 Ų | 50 | 67.9 Ų | 67.9 | 26% | 0.262 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.2 | 177.4 | 178.2 | 61.3 | 0 | 0 | 0 | 110.6 | T188 L190 V234 I242 I256 V260 | T188-L240 HydrophobicContact CG2-CD1 3.88Å; T188-L240 WeakPolarHBondContact O-CA 3.27Å; L190-L240 HydrophobicContact CB-CD1 4.06Å; V234-L240 HydrophobicContact CG1-CB 4.09Å; V234-L240 HydrophobicContact CG2-CB 3.84Å; V234-L240 HydrophobicContact CG2-CD1 3.81Å; V234-L240 HydrophobicContact CG2-CD2 4.11Å; V234-L240 HydrophobicContact CG2-CG 4.12Å; L240-I242 HydrophobicContact CD1-CG1 4.09Å; L240-I242 HydrophobicContact CD2-CD1 3.85Å; L240-I242 HydrophobicContact CD2-CG1 3.86Å; L240-I242 HydrophobicContact CG-CD1 4.33Å; L240-I242 HydrophobicContact CG-CG1 3.84Å; L240-I256 HydrophobicContact CD2-CG2 4.38Å; L240-V260 HydrophobicContact CD2-CB 4.17Å; L240-V260 HydrophobicContact CD2-CG1 4.03Å; L240-V260 HydrophobicContact CD2-CG2 3.84Å |
| 241 | L | 98.6 | Very high | 97.6 | Very high | 85 Ų | 85 | 68.1 Ų | 68.1 | 45% | 0.445 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.5 | 164.5 | -174.1 | 155.8 | 0 | 0 | 0 | 108.5 | T188 L189 L190 M199 | T188-L241 PolarHBondContact O-N 2.82Å; L189-L241 WeakPolarHBondContact CA-O 3.31Å; L189-L241 HydrophobicContact CD2-CB 3.82Å; L189-L241 HydrophobicContact CD2-CD2 4.36Å; L189-L241 HydrophobicContact CD2-CG 4.46Å; L190-L241 PolarHBondContact N-O 3.41Å; M199-L241 HydrophobicContact CE-CD2 3.3Å; M199-L241 HydrophobicContact SD-CD2 3.98Å |
| 242 | I | 98.8 | Very high | 97.6 | Very high | 41 Ų | 41 | 66.9 Ų | 66.9 | 21% | 0.21 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.3 | 177.7 | -51.5 | 158.3 | 0 | 0 | 0 | 107.9 | L190 W192 L240 G253 I256 A257 | L190-I242 HydrophobicContact CB-CG1 4.48Å; L190-I242 HydrophobicContact CD2-CG1 4.3Å; L190-I242 HydrophobicContact CD2-CG2 4.5Å; L190-I242 WeakPolarHBondContact O-CA 3.47Å; W192-I242 HydrophobicContact CH2-CG2 4.28Å; W192-I242 HydrophobicContact CZ3-CG2 4.14Å; L240-I242 HydrophobicContact CD1-CG1 4.09Å; L240-I242 HydrophobicContact CD2-CD1 3.85Å; L240-I242 HydrophobicContact CD2-CG1 3.86Å; L240-I242 HydrophobicContact CG-CD1 4.33Å; L240-I242 HydrophobicContact CG-CG1 3.84Å; I242-G253 WeakPolarHBondContact CD1-O 3.48Å; I242-I256 HydrophobicContact CD1-CB 3.85Å; I242-I256 HydrophobicContact CD1-CG2 3.7Å; I242-I256 HydrophobicContact CG1-CG2 4.3Å; I242-I256 HydrophobicContact CG2-CD1 4.49Å; I242-A257 HydrophobicContact CD1-CB 4.01Å |
| 243 | A | 98.5 | Very high | 97.7 | Very high | 17 Ų | 17 | 64 Ų | 64 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | trans | -135.4 | 144.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L190 Q195 M199 | L190-A243 PolarHBondContact O-N 3.06Å; Q195-A243 HydrophobicContact CG-CB 3.73Å; M199-A243 HydrophobicContact CE-CB 3.1Å | ||
| 244 | H | 98.7 | Very high | 97.7 | Very high | 33 Ų | 33 | 66 Ų | 66 | 15% | 0.153 | 36% | 0.36 | C | S | . | . | trans | -150.4 | 156.2 | 174.2 | 52.5 | 80.1 | 0 | 0 | 0 | 109.8 | W192 A246 G253 | W192-H244 HydrophobicContact CH2-CB 4.02Å; W192-H244 AromaticContact CH2-CD2 3.79Å; W192-H244 HydrophobicContact CZ2-CB 3.39Å; W192-H244 AromaticContact CZ2-CD2 3.85Å; W192-H244 AromaticContact CZ2-CG 3.82Å; H244-A246 VanDerWaalsContact C-N 3.34Å; H244-A246 PolarHBondContact CE1-O 3.09Å; H244-A246 PolarHBondContact ND1-O 3.45Å; H244-G253 PolarHBondContact NE2-N 3.1Å | ||
| 245 | E | 98.3 | Very high | 97.7 | Very high | 70 Ų | 70 | 70 Ų | 70 | 33% | 0.327 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -74.7 | -25.4 | 179.1 | -65.6 | 178.3 | -141.7 | 0 | 0 | 112.7 | A103 T194 | A103-E245 WeakPolarHBondContact CB-OE2 3.33Å; A103-E245 PolarHBondContact N-OE2 3.03Å; T194-E245 VanDerWaalsContact CB-OE1 3.3Å; T194-E245 WeakPolarHBondContact CB-OE1 3.38Å; T194-E245 PolarHBondContact OG1-OE1 2.95Å |
| 246 | A | 98.4 | Very high | 97.8 | Very high | 10 Ų | 10 | 62.7 Ų | 62.7 | 8% | 0.083 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -62.6 | 156.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | H244 | H244-A246 VanDerWaalsContact C-N 3.34Å; H244-A246 PolarHBondContact CE1-O 3.09Å; H244-A246 PolarHBondContact ND1-O 3.45Å |
| 247 | P | 98.5 | Very high | 97.9 | Very high | 106 Ų | 106 | 60.6 Ų | 60.6 | 69% | 0.688 | 35% | 0.346 | S | S | * | . | trans | -50.9 | 147.1 | 174.7 | -27.8 | 35.7 | 0 | 0 | 0 | 113.7 | G251 | P247-G251 WeakPolarHBondContact O-CA 3.37Š| ||
| 248 | L | 97.9 | Very high | 97.9 | Very high | 149 Ų | 149 | 62.9 Ų | 62.9 | 78% | 0.78 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -63 | -49.9 | -177.5 | 178.6 | 65.4 | 0 | 0 | 0 | 112.5 | M250 G251 | L248-M250 PolarHBondContact O-N 2.68Å; L248-G251 PolarHBondContact O-N 3.13Å; L248-G251 VanDerWaalsContact O-N 3.14Å |
| 249 | T | 98.2 | Very high | 98 | Very high | 113 Ų | 113 | 61 Ų | 61 | 69% | 0.693 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | 118.7 | -175.4 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | G251 | T249-G251 PolarHBondContact O-N 2.75Š|
| 250 | M | 96 | Very high | 97.9 | Very high | 161 Ų | 161 | 54.1 Ų | 54.1 | 79% | 0.793 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 22 | -176.2 | -56.4 | 179.2 | -71.2 | 0 | 0 | 113.6 | A117 L248 | A117-M250 WeakPolarHBondContact CB-O 3.43Å; L248-M250 PolarHBondContact O-N 2.68Å |
| 251 | G | 97.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 57.6 Ų | 57.6 | 5% | 0.052 | 33% | 0.333 | C | S | . | . | trans | -67.3 | 158.6 | 165 | 0 | 0 | 0 | 0 | 0 | 110.7 | P247 L248 T249 G253 A254 | P247-G251 WeakPolarHBondContact O-CA 3.37Å; L248-G251 PolarHBondContact O-N 3.13Å; L248-G251 VanDerWaalsContact O-N 3.14Å; T249-G251 PolarHBondContact O-N 2.75Å; G251-G253 PolarHBondContact O-N 2.98Å; G251-G253 VanDerWaalsContact O-N 3.1Å; G251-A254 VanDerWaalsContact O-CB 3.27Å; G251-A254 WeakPolarHBondContact O-CB 3.47Å; G251-A254 PolarHBondContact O-N 3.18Å | ||
| 252 | F | 98.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 58.5 Ų | 58.5 | 5% | 0.048 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.8 | -20.9 | -176.2 | -166.6 | -109.7 | 0 | 0 | 0 | 113.3 | A117 A120 W192 L219 I222 W225 A254 E255 I256 | A117-F252 HydrophobicContact CB-CB 4.4Å; A120-F252 HydrophobicContact CB-CD2 3.53Å; A120-F252 HydrophobicContact CB-CE2 3.67Å; W192-F252 HydrophobicContact CH2-CB 4Å; W192-F252 AromaticContact CH2-CD1 3.81Å; W192-F252 HydrophobicContact CH2-CD1 3.81Å; W192-F252 HydrophobicContact CH2-CG 4.41Å; W192-F252 HydrophobicContact CZ2-CB 3.88Å; W192-F252 HydrophobicContact CZ2-CD1 4.19Å; W192-F252 HydrophobicContact CZ3-CD1 4.24Å; L219-F252 HydrophobicContact CD2-CD1 4.21Å; L219-F252 HydrophobicContact CD2-CE1 3.81Å; I222-F252 HydrophobicContact CD1-CD1 4.37Å; I222-F252 HydrophobicContact CG2-CB 4.39Å; I222-F252 HydrophobicContact CG2-CD1 3.64Å; I222-F252 HydrophobicContact CG2-CD2 3.74Å; I222-F252 HydrophobicContact CG2-CE1 3.76Å; I222-F252 HydrophobicContact CG2-CE2 3.86Å; I222-F252 HydrophobicContact CG2-CG 3.63Å; I222-F252 HydrophobicContact CG2-CZ 3.87Å; I222-F252 WeakPolarHBondContact O-CE1 3.36Å; I222-F252 WeakPolarHBondContact O-CZ 3.27Å; W225-F252 HydrophobicContact CB-CE1 4.24Å; W225-F252 HydrophobicContact CB-CZ 4.19Å; W225-F252 AromaticContact CD1-CZ 3.69Å; W225-F252 HydrophobicContact CG-CE1 4.23Å; W225-F252 AromaticContact CG-CZ 3.94Å; W225-F252 HydrophobicContact CG-CZ 3.94Å; F252-A254 PolarHBondContact O-N 2.96Å; F252-E255 HydrophobicContact CD2-CB 4.24Å; F252-E255 HydrophobicContact CE2-CB 4.15Å; F252-E255 HydrophobicContact CE2-CG 4.01Å; F252-E255 HydrophobicContact CZ-CG 4.4Å; F252-E255 PolarHBondContact O-N 2.96Å; F252-I256 HydrophobicContact CD1-CD1 3.67Å; F252-I256 HydrophobicContact CD1-CG1 4.09Å; F252-I256 HydrophobicContact CE1-CD1 3.71Å; F252-I256 HydrophobicContact CE1-CG1 3.83Å; F252-I256 PolarHBondContact O-N 3.44Å |
| 253 | G | 98.3 | Very high | 97 | Very high | 8 Ų | 8 | 58.4 Ų | 58.4 | 8% | 0.082 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.3 | -25.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114 | I242 H244 G251 A257 | I242-G253 WeakPolarHBondContact CD1-O 3.48Å; H244-G253 PolarHBondContact NE2-N 3.1Å; G251-G253 PolarHBondContact O-N 2.98Å; G251-G253 VanDerWaalsContact O-N 3.1Å; G253-A257 VanDerWaalsContact O-CB 3.25Å; G253-A257 WeakPolarHBondContact O-CB 3.4Å; G253-A257 PolarHBondContact O-N 2.9Å |
| 254 | A | 98.1 | Very high | 96.4 | Very high | 50 Ų | 50 | 59.4 Ų | 59.4 | 41% | 0.413 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.2 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G251 F252 A257 A258 | G251-A254 VanDerWaalsContact O-CB 3.27Å; G251-A254 WeakPolarHBondContact O-CB 3.47Å; G251-A254 PolarHBondContact O-N 3.18Å; F252-A254 PolarHBondContact O-N 2.96Å; A254-A257 PolarHBondContact O-N 2.84Å; A254-A258 WeakPolarHBondContact O-CB 3.49Å; A254-A258 PolarHBondContact O-N 2.83Å |
| 255 | E | 98.1 | Very high | 95.5 | Very high | 92 Ų | 92 | 62.8 Ų | 62.8 | 43% | 0.43 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.9 | -49.7 | 175.8 | 174 | 54.4 | -141.1 | 0 | 0 | 110.4 | F252 A257 A258 S259 | F252-E255 HydrophobicContact CD2-CB 4.24Å; F252-E255 HydrophobicContact CE2-CB 4.15Å; F252-E255 HydrophobicContact CE2-CG 4.01Å; F252-E255 HydrophobicContact CZ-CG 4.4Å; F252-E255 PolarHBondContact O-N 2.96Å; E255-A257 PolarHBondContact O-N 3.05Å; E255-A258 PolarHBondContact O-N 3.02Å; E255-S259 VanDerWaalsContact O-CB 3.3Å; E255-S259 WeakPolarHBondContact O-CB 3.29Å; E255-S259 PolarHBondContact O-N 2.95Å; E255-S259 PolarHBondContact O-OG 3.3Å; E255-S259 PolarHBondContact OE1-OG 2.74Å |
| 256 | I | 98.2 | Very high | 94 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.7 | -46.1 | 179.4 | -60.8 | 165.4 | 0 | 0 | 0 | 110.7 | L190 W192 L219 W225 V230 L240 I242 F252 A258 S259 V260 | L190-I256 HydrophobicContact CD2-CD1 3.8Å; L190-I256 HydrophobicContact CD2-CG2 3.69Å; W192-I256 HydrophobicContact CH2-CD1 3.96Å; W192-I256 HydrophobicContact CZ3-CD1 3.59Å; L219-I256 HydrophobicContact CD2-CD1 3.87Å; W225-I256 HydrophobicContact CD2-CG1 4.43Å; W225-I256 HydrophobicContact CE3-CG1 4.31Å; W225-I256 HydrophobicContact CH2-CB 4.41Å; W225-I256 HydrophobicContact CH2-CG1 4.33Å; W225-I256 HydrophobicContact CH2-CG2 4.07Å; W225-I256 HydrophobicContact CZ2-CG1 4.44Å; W225-I256 HydrophobicContact CZ3-CG1 4.25Å; W225-I256 HydrophobicContact CZ3-CG2 4.05Å; V230-I256 HydrophobicContact CG1-CG2 4.29Å; L240-I256 HydrophobicContact CD2-CG2 4.38Å; I242-I256 HydrophobicContact CD1-CB 3.85Å; I242-I256 HydrophobicContact CD1-CG2 3.7Å; I242-I256 HydrophobicContact CG1-CG2 4.3Å; I242-I256 HydrophobicContact CG2-CD1 4.49Å; F252-I256 HydrophobicContact CD1-CD1 3.67Å; F252-I256 HydrophobicContact CD1-CG1 4.09Å; F252-I256 HydrophobicContact CE1-CD1 3.71Å; F252-I256 HydrophobicContact CE1-CG1 3.83Å; F252-I256 PolarHBondContact O-N 3.44Å; I256-A258 VanDerWaalsContact C-N 3.34Å; I256-A258 PolarHBondContact O-N 3.38Å; I256-S259 PolarHBondContact O-N 3.45Å; I256-V260 HydrophobicContact CG2-CG2 4.03Å; I256-V260 WeakPolarHBondContact O-CB 3.36Å; I256-V260 WeakPolarHBondContact O-CG2 3.43Å; I256-V260 PolarHBondContact O-N 3.35Å |
| 257 | A | 97.5 | Very high | 92.1 | Very high | 48 Ų | 48 | 63.7 Ų | 63.7 | 40% | 0.397 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I242 G253 A254 E255 Q261 | I242-A257 HydrophobicContact CD1-CB 4.01Å; G253-A257 VanDerWaalsContact O-CB 3.25Å; G253-A257 WeakPolarHBondContact O-CB 3.4Å; G253-A257 PolarHBondContact O-N 2.9Å; A254-A257 PolarHBondContact O-N 2.84Å; E255-A257 PolarHBondContact O-N 3.05Å; A257-Q261 VanDerWaalsContact O-CB 3.3Å; A257-Q261 WeakPolarHBondContact O-CB 3.37Å; A257-Q261 PolarHBondContact O-N 3.5Å; A257-Q261 VanDerWaalsContact O-N 3.09Å |
| 258 | A | 96.8 | Very high | 90.2 | Very high | 54 Ų | 54 | 65.3 Ų | 65.3 | 45% | 0.446 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.3 | -48.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A254 E255 I256 Q261 V262 | A254-A258 WeakPolarHBondContact O-CB 3.49Å; A254-A258 PolarHBondContact O-N 2.83Å; E255-A258 PolarHBondContact O-N 3.02Å; I256-A258 VanDerWaalsContact C-N 3.34Å; I256-A258 PolarHBondContact O-N 3.38Å; A258-Q261 PolarHBondContact O-N 3.2Å; A258-V262 WeakPolarHBondContact O-CG2 3.38Å; A258-V262 PolarHBondContact O-N 3.28Å |
| 259 | S | 96.9 | Very high | 88 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 17% | 0.168 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67.2 | -38.9 | -176.2 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | Y231 E255 I256 S263 | Y231-S259 WeakPolarHBondContact OH-CB 3.43Å; E255-S259 VanDerWaalsContact O-CB 3.3Å; E255-S259 WeakPolarHBondContact O-CB 3.29Å; E255-S259 PolarHBondContact O-N 2.95Å; E255-S259 PolarHBondContact O-OG 3.3Å; E255-S259 PolarHBondContact OE1-OG 2.74Å; I256-S259 PolarHBondContact O-N 3.45Å; S259-S263 WeakPolarHBondContact O-CB 3.47Å; S259-S263 PolarHBondContact O-N 2.95Å; S259-S263 PolarHBondContact O-OG 3.28Å |
| 260 | V | 96.4 | Very high | 85.6 | Confident | 9 Ų | 9 | 61.8 Ų | 61.8 | 6% | 0.055 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63 | -46 | 171.4 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | V230 Y231 V234 L240 I256 V262 S263 L264 | V230-V260 HydrophobicContact CG1-CG2 3.75Å; Y231-V260 HydrophobicContact CD1-CB 4.44Å; Y231-V260 HydrophobicContact CD1-CG2 3.84Å; Y231-V260 HydrophobicContact CE1-CB 4.32Å; Y231-V260 HydrophobicContact CE1-CG2 3.75Å; V234-V260 HydrophobicContact CB-CG1 4.24Å; V234-V260 HydrophobicContact CG1-CG1 3.88Å; V234-V260 HydrophobicContact CG2-CG1 4.31Å; L240-V260 HydrophobicContact CD2-CB 4.17Å; L240-V260 HydrophobicContact CD2-CG1 4.03Å; L240-V260 HydrophobicContact CD2-CG2 3.84Å; I256-V260 HydrophobicContact CG2-CG2 4.03Å; I256-V260 WeakPolarHBondContact O-CB 3.36Å; I256-V260 WeakPolarHBondContact O-CG2 3.43Å; I256-V260 PolarHBondContact O-N 3.35Å; V260-V262 VanDerWaalsContact C-N 3.35Å; V260-V262 PolarHBondContact O-N 3.19Å; V260-S263 PolarHBondContact O-N 2.89Å; V260-L264 HydrophobicContact CG1-CD1 3.7Å; V260-L264 HydrophobicContact CG1-CG 4.29Å; V260-L264 WeakPolarHBondContact O-CB 3.37Å; V260-L264 WeakPolarHBondContact O-CG 3.47Å; V260-L264 PolarHBondContact O-N 3.45Å |
| 261 | Q | 94.4 | Very high | 83.1 | Confident | 124 Ų | 124 | 60.2 Ų | 60.2 | 58% | 0.579 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.7 | -44.9 | -179.7 | -179.4 | 61 | 31 | 0 | 0 | 111.4 | A257 A258 H265 | A257-Q261 VanDerWaalsContact O-CB 3.3Å; A257-Q261 WeakPolarHBondContact O-CB 3.37Å; A257-Q261 PolarHBondContact O-N 3.5Å; A257-Q261 VanDerWaalsContact O-N 3.09Å; A258-Q261 PolarHBondContact O-N 3.2Å; Q261-H265 WeakPolarHBondContact O-CB 3.25Å; Q261-H265 PolarHBondContact O-N 3.45Å |
| 262 | V | 92.3 | Very high | 80.2 | Confident | 104 Ų | 104 | 65.3 Ų | 65.3 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.5 | -52.2 | 177.7 | 171.5 | 0 | 0 | 0 | 0 | 111 | A258 V260 L264 A266 | A258-V262 WeakPolarHBondContact O-CG2 3.38Å; A258-V262 PolarHBondContact O-N 3.28Å; V260-V262 VanDerWaalsContact C-N 3.35Å; V260-V262 PolarHBondContact O-N 3.19Å; V262-L264 PolarHBondContact O-N 3.2Å; V262-A266 WeakPolarHBondContact O-CB 3.33Å; V262-A266 PolarHBondContact O-N 3.43Å |
| 263 | S | 89.5 | Confident | 77.1 | Confident | 39 Ų | 39 | 67.4 Ų | 67.4 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63 | -41.6 | -176.1 | -77.7 | 0 | 0 | 0 | 0 | 113.3 | Y231 S259 V260 S267 | Y231-S263 VanDerWaalsContact CE2-OG 3.29Å; Y231-S263 WeakPolarHBondContact CE2-OG 3.33Å; S259-S263 WeakPolarHBondContact O-CB 3.47Å; S259-S263 PolarHBondContact O-N 2.95Å; S259-S263 PolarHBondContact O-OG 3.28Å; V260-S263 PolarHBondContact O-N 2.89Å; S263-S267 PolarHBondContact O-N 3.26Å; S263-S267 PolarHBondContact O-OG 3.34Å |
| 264 | L | 84.9 | Confident | 74.4 | Confident | 38 Ų | 38 | 73.5 Ų | 73.5 | 20% | 0.199 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -81.1 | -31.8 | -178.1 | -63.9 | -177.3 | 0 | 0 | 0 | 113 | V234 K235 V260 V262 S267 F268 | V234-L264 HydrophobicContact CB-CD1 3.77Å; V234-L264 HydrophobicContact CG1-CD1 3.34Å; K235-L264 HydrophobicContact CB-CD2 3.89Å; K235-L264 HydrophobicContact CG-CD2 4.4Å; V260-L264 HydrophobicContact CG1-CD1 3.7Å; V260-L264 HydrophobicContact CG1-CG 4.29Å; V260-L264 WeakPolarHBondContact O-CB 3.37Å; V260-L264 WeakPolarHBondContact O-CG 3.47Å; V260-L264 PolarHBondContact O-N 3.45Å; V262-L264 PolarHBondContact O-N 3.2Å; L264-S267 WeakPolarHBondContact O-CB 3.37Å; L264-S267 PolarHBondContact O-N 3.3Å; L264-F268 PolarHBondContact O-N 2.83Å |
| 265 | H | 79.7 | Confident | 71.6 | Confident | 103 Ų | 103 | 74.8 Ų | 74.8 | 48% | 0.477 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 173.5 | -167.6 | 73.8 | 0 | 0 | 0 | 111.6 | Q261 S267 F268 I269 | Q261-H265 WeakPolarHBondContact O-CB 3.25Å; Q261-H265 PolarHBondContact O-N 3.45Å; H265-S267 VanDerWaalsContact C-N 3.25Å; H265-S267 PolarHBondContact O-N 3.16Å; H265-F268 WeakPolarHBondContact O-CB 3.43Å; H265-F268 PolarHBondContact O-N 3.18Å; H265-F268 VanDerWaalsContact O-N 3.08Å; H265-I269 WeakPolarHBondContact NE2-CD1 3.42Å; H265-I269 PolarHBondContact O-N 3.46Å |
| 266 | A | 66.5 | Low | 69 | Low | 46 Ų | 46 | 76.2 Ų | 76.2 | 38% | 0.38 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -59.3 | -38.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V262 F268 N270 | V262-A266 WeakPolarHBondContact O-CB 3.33Å; V262-A266 PolarHBondContact O-N 3.43Å; A266-F268 VanDerWaalsContact C-N 3.35Å; A266-N270 WeakPolarHBondContact O-CB 3.31Å; A266-N270 PolarHBondContact O-N 3.45Å; A266-N270 VanDerWaalsContact O-N 3.07Å; A266-N270 PolarHBondContact O-ND2 3.01Å |
| 267 | S | 60.3 | Low | 66.6 | Low | 54 Ų | 54 | 83.8 Ų | 83.8 | 38% | 0.378 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 174.4 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | S263 L264 H265 F271 | S263-S267 PolarHBondContact O-N 3.26Å; S263-S267 PolarHBondContact O-OG 3.34Å; L264-S267 WeakPolarHBondContact O-CB 3.37Å; L264-S267 PolarHBondContact O-N 3.3Å; H265-S267 VanDerWaalsContact C-N 3.25Å; H265-S267 PolarHBondContact O-N 3.16Å; S267-F271 PolarHBondContact O-N 2.89Å; S267-F271 VanDerWaalsContact O-N 3.12Å |
| 268 | F | 58.2 | Low | 64.3 | Low | 139 Ų | 139 | 84.7 Ų | 84.7 | 61% | 0.61 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -68.2 | -42.2 | 179 | -150.3 | -88.9 | 0 | 0 | 0 | 112.3 | L264 H265 A266 F271 Q272 | L264-F268 PolarHBondContact O-N 2.83Å; H265-F268 WeakPolarHBondContact O-CB 3.43Å; H265-F268 PolarHBondContact O-N 3.18Å; H265-F268 VanDerWaalsContact O-N 3.08Å; A266-F268 VanDerWaalsContact C-N 3.35Å; F268-F271 PolarHBondContact O-N 3.25Å; F268-Q272 PolarHBondContact O-N 3.11Å |
| 269 | I | 51.5 | Low | 62.1 | Low | 82 Ų | 82 | 90.3 Ų | 90.3 | 42% | 0.421 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 175.5 | -67.6 | 172.7 | 0 | 0 | 0 | 110.7 | H265 F271 Q272 C273 | H265-I269 WeakPolarHBondContact NE2-CD1 3.42Å; H265-I269 PolarHBondContact O-N 3.46Å; I269-F271 VanDerWaalsContact C-N 3.31Å; I269-F271 PolarHBondContact O-N 2.65Å; I269-Q272 PolarHBondContact O-N 2.85Å; I269-C273 PolarHBondContact O-N 3.14Å |
| 270 | N | 47.6 | Very low | 59.8 | Low | 106 Ų | 106 | 93.5 Ų | 93.5 | 57% | 0.567 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.6 | -36.7 | 179.7 | -83 | -29.3 | 0 | 0 | 0 | 112.7 | A266 C273 Q274 | A266-N270 WeakPolarHBondContact O-CB 3.31Å; A266-N270 PolarHBondContact O-N 3.45Å; A266-N270 VanDerWaalsContact O-N 3.07Å; A266-N270 PolarHBondContact O-ND2 3.01Å; N270-C273 PolarHBondContact O-N 3.45Å; N270-Q274 PolarHBondContact O-N 3.3Å |
| 271 | F | 44 | Very low | 57.1 | Low | 129 Ų | 129 | 100.8 Ų | 100.8 | 57% | 0.566 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.3 | -39.3 | 175.9 | -166.4 | -105.5 | 0 | 0 | 0 | 112.2 | S267 F268 I269 Q274 L275 | S267-F271 PolarHBondContact O-N 2.89Å; S267-F271 VanDerWaalsContact O-N 3.12Å; F268-F271 PolarHBondContact O-N 3.25Å; I269-F271 VanDerWaalsContact C-N 3.31Å; I269-F271 PolarHBondContact O-N 2.65Å; F271-Q274 PolarHBondContact O-N 2.66Å; F271-L275 HydrophobicContact CD1-CD1 3.69Å; F271-L275 HydrophobicContact CD1-CG 4.35Å; F271-L275 HydrophobicContact CE1-CD1 3.43Å; F271-L275 VanDerWaalsContact CE1-CD1 3.43Å; F271-L275 HydrophobicContact CE1-CG 4.11Å; F271-L275 HydrophobicContact CZ-CD1 4.2Å; F271-L275 HydrophobicContact CZ-CG 4.46Å; F271-L275 WeakPolarHBondContact O-CG 3.09Å; F271-L275 PolarHBondContact O-N 3.45Å |
| 272 | Q | 36.1 | Very low | 55.2 | Low | 111 Ų | 111 | 99.7 Ų | 99.7 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 173.9 | -75.8 | -165.4 | -22.1 | 0 | 0 | 112.4 | F268 I269 L275 L276 | F268-Q272 PolarHBondContact O-N 3.11Å; I269-Q272 PolarHBondContact O-N 2.85Å; Q272-L275 PolarHBondContact O-N 2.88Å; Q272-L276 VanDerWaalsContact O-CG 3.28Å; Q272-L276 WeakPolarHBondContact O-CG 3.24Å; Q272-L276 PolarHBondContact O-N 3.39Å |
| 273 | C | 34 | Very low | 53.3 | Low | 55 Ų | 55 | 99.4 Ų | 99.4 | 37% | 0.372 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 174 | -74.5 | 0 | 0 | 0 | 0 | 111.9 | I269 N270 L275 L276 F277 | I269-C273 PolarHBondContact O-N 3.14Å; N270-C273 PolarHBondContact O-N 3.45Å; C273-L275 PolarHBondContact O-N 3.18Å; C273-L276 PolarHBondContact O-N 3.17Å; C273-F277 HydrophobicContact CB-CE2 4.49Å; C273-F277 WeakPolarHBondContact O-CD2 3.41Å; C273-F277 PolarHBondContact O-N 3.08Å |
| 274 | Q | 41.6 | Very low | 51.2 | Low | 137 Ų | 137 | 102.8 Ų | 102.8 | 64% | 0.64 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63 | -39.8 | 177.2 | -76.3 | -176.3 | -20.4 | 0 | 0 | 112.7 | N270 F271 F277 S278 | N270-Q274 PolarHBondContact O-N 3.3Å; F271-Q274 PolarHBondContact O-N 2.66Å; Q274-F277 PolarHBondContact O-N 3.2Å; Q274-S278 WeakPolarHBondContact O-CB 3.29Å; Q274-S278 PolarHBondContact O-N 3.49Å; Q274-S278 PolarHBondContact O-OG 3.25Å |
| 275 | L | 39.7 | Very low | 49.3 | Very low | 76 Ų | 76 | 106.6 Ų | 106.6 | 40% | 0.398 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.4 | -41 | 174.8 | -77.2 | 171.7 | 0 | 0 | 0 | 112.1 | F271 Q272 C273 F277 S278 Q279 | F271-L275 HydrophobicContact CD1-CD1 3.69Å; F271-L275 HydrophobicContact CD1-CG 4.35Å; F271-L275 HydrophobicContact CE1-CD1 3.43Å; F271-L275 VanDerWaalsContact CE1-CD1 3.43Å; F271-L275 HydrophobicContact CE1-CG 4.11Å; F271-L275 HydrophobicContact CZ-CD1 4.2Å; F271-L275 HydrophobicContact CZ-CG 4.46Å; F271-L275 WeakPolarHBondContact O-CG 3.09Å; F271-L275 PolarHBondContact O-N 3.45Å; Q272-L275 PolarHBondContact O-N 2.88Å; C273-L275 PolarHBondContact O-N 3.18Å; L275-F277 VanDerWaalsContact C-N 3.33Å; L275-F277 PolarHBondContact O-N 2.9Å; L275-S278 WeakPolarHBondContact CA-OG 3.36Å; L275-S278 PolarHBondContact O-N 3.04Å; L275-S278 PolarHBondContact O-OG 2.94Å; L275-Q279 PolarHBondContact O-N 3.35Å; L275-Q279 VanDerWaalsContact O-N 3.12Å |
| 276 | L | 43.6 | Very low | 47.4 | Very low | 123 Ų | 123 | 106.8 Ų | 106.8 | 64% | 0.644 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.9 | -37.6 | 175.9 | -73.3 | 165.6 | 0 | 0 | 0 | 112.5 | Q272 C273 S280 | Q272-L276 VanDerWaalsContact O-CG 3.28Å; Q272-L276 WeakPolarHBondContact O-CG 3.24Å; Q272-L276 PolarHBondContact O-N 3.39Å; C273-L276 PolarHBondContact O-N 3.17Å; L276-S280 PolarHBondContact O-OG 3.38Å |
| 277 | F | 47.1 | Very low | 46.1 | Very low | 158 Ų | 158 | 110.9 Ų | 110.9 | 69% | 0.693 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -78.4 | -27.2 | 175.6 | -69.8 | -64.8 | 0 | 0 | 0 | 113.7 | C273 Q274 L275 S280 | C273-F277 HydrophobicContact CB-CE2 4.49Å; C273-F277 WeakPolarHBondContact O-CD2 3.41Å; C273-F277 PolarHBondContact O-N 3.08Å; Q274-F277 PolarHBondContact O-N 3.2Å; L275-F277 VanDerWaalsContact C-N 3.33Å; L275-F277 PolarHBondContact O-N 2.9Å; F277-S280 WeakPolarHBondContact CA-OG 3.43Å; F277-S280 PolarHBondContact O-OG 3.44Å |
| 278 | S | 50.2 | Low | 45.1 | Very low | 68 Ų | 68 | 114.9 Ų | 114.9 | 48% | 0.476 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -79.2 | -20.8 | 177.6 | 70.5 | 0 | 0 | 0 | 0 | 114.1 | Q274 L275 S280 | Q274-S278 WeakPolarHBondContact O-CB 3.29Å; Q274-S278 PolarHBondContact O-N 3.49Å; Q274-S278 PolarHBondContact O-OG 3.25Å; L275-S278 WeakPolarHBondContact CA-OG 3.36Å; L275-S278 PolarHBondContact O-N 3.04Å; L275-S278 PolarHBondContact O-OG 2.94Å; S278-S280 VanDerWaalsContact C-N 3.33Å |
| 279 | Q | 50.3 | Low | 44.1 | Very low | 172 Ų | 172 | 113.1 Ų | 113.1 | 80% | 0.804 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 1.4 | 174 | -68.6 | -165 | -2.8 | 0 | 0 | 113.7 | L275 | L275-Q279 PolarHBondContact O-N 3.35Å; L275-Q279 VanDerWaalsContact O-N 3.12Å |
| 280 | S | 48.3 | Very low | 43.4 | Very low | 90 Ų | 90 | 115.7 Ų | 115.7 | 63% | 0.629 | 62% | 0.621 | S | S | * | * | trans | -112.3 | 19.2 | -177.6 | 35 | 0 | 0 | 0 | 0 | 114.3 | L276 F277 S278 | L276-S280 PolarHBondContact O-OG 3.38Å; F277-S280 WeakPolarHBondContact CA-OG 3.43Å; F277-S280 PolarHBondContact O-OG 3.44Å; S278-S280 VanDerWaalsContact C-N 3.33Å | ||
| 281 | S | 38.7 | Very low | 43.1 | Very low | 163 Ų | 163 | 116.5 Ų | 116.5 | 100% | 1.14 | 63% | 0.625 | S | S | * | * | trans | -125.1 | 0 | 174.7 | 59.4 | 0 | 0 | 0 | 0 | 112 |
Retrieved 281 of 281 residues in 110.4 ms
(Link to these results)