| 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 | 45.4 | Very low | 82.2 | Confident | 237 Ų | 237 | 85.7 Ų | 85.7 | 100% | 1.167 | 48% | 0.483 | S | S | * | . | 0 | 118.8 | 0 | -60.9 | -170.7 | -171.4 | 0 | 0 | 106.9 | T3 | M1-T3 PolarHBondContact O-N 3.48Š| |||
| 2 | A | 51.1 | Low | 83.5 | Confident | 99 Ų | 99 | 88.3 Ų | 88.3 | 82% | 0.818 | 48% | 0.479 | S | S | * | . | trans | -62.1 | 119.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | S4 | A2-S4 PolarHBondContact O-N 3.37Å; A2-S4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | T | 63.9 | Low | 84.6 | Confident | 123 Ų | 123 | 81.5 Ų | 81.5 | 76% | 0.755 | 44% | 0.443 | S | S | * | . | trans | -60.8 | 117.3 | 175.9 | 48.5 | 0 | 0 | 0 | 0 | 107.6 | M1 E5 | M1-T3 PolarHBondContact O-N 3.48Å; T3-E5 PolarHBondContact O-N 3.29Å | ||
| 4 | S | 80.7 | Confident | 85.5 | Confident | 60 Ų | 60 | 77.1 Ų | 77.1 | 42% | 0.42 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -66.1 | 0.5 | -176 | -50.8 | 0 | 0 | 0 | 0 | 114.3 | A2 N43 T44 | A2-S4 PolarHBondContact O-N 3.37Å; A2-S4 VanDerWaalsContact O-N 3.15Å; S4-N43 WeakPolarHBondContact O-CA 3.4Å; S4-T44 PolarHBondContact O-N 3.44Å |
| 5 | E | 87.3 | Confident | 86.2 | Confident | 71 Ų | 71 | 72.3 Ų | 72.3 | 33% | 0.332 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 120.8 | -179.8 | -62.7 | -171.4 | 146.9 | 0 | 0 | 111.4 | T3 Y41 H42 N43 R50 | T3-E5 PolarHBondContact O-N 3.29Å; E5-Y41 HydrophobicContact CB-CD1 4.43Å; E5-H42 WeakPolarHBondContact CA-O 3.33Å; E5-N43 HydrophobicContact CG-CB 4.44Å; E5-R50 VanDerWaalsContact CD-CZ 3.46Å; E5-R50 IonicContact OE1-CZ 3.18Å; E5-R50 IonicContact OE1-NE 3.2Å; E5-R50 PolarHBondContact OE1-NE 3.34Å; E5-R50 IonicContact OE1-NH1 3.28Å; E5-R50 PolarHBondContact OE1-NH1 2.72Å; E5-R50 IonicContact OE1-NH2 3.18Å; E5-R50 PolarHBondContact OE1-NH2 3.36Å; E5-R50 IonicContact OE2-CZ 3.44Å; E5-R50 VanDerWaalsContact OE2-CZ 3.28Å; E5-R50 IonicContact OE2-NE 3.81Å; E5-R50 IonicContact OE2-NH2 2.6Å; E5-R50 PolarHBondContact OE2-NH2 3.37Å |
| 6 | Q | 93.3 | Very high | 86.9 | Confident | 125 Ų | 125 | 69.6 Ų | 69.6 | 58% | 0.584 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.6 | 178.3 | -179.2 | 175.4 | -23.9 | 0 | 0 | 109.9 | I8 Y41 H42 | Q6-I8 PolarHBondContact O-N 3.36Å; Q6-Y41 CarbonylContact O-C 3.55Å; Q6-Y41 WeakPolarHBondContact O-CA 3.03Å; Q6-H42 PolarHBondContact N-O 3.39Å; Q6-H42 PolarHBondContact O-N 3.23Å |
| 7 | S | 94.8 | Very high | 87.4 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 34% | 0.336 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 125.7 | 170.2 | -174.1 | 0 | 0 | 0 | 0 | 109.5 | C9 I40 | S7-C9 PolarHBondContact OG-O 2.82Å; S7-C9 VanDerWaalsContact OG-O 3.12Å; S7-I40 WeakPolarHBondContact CA-O 3.46Å |
| 8 | I | 95.7 | Very high | 87.9 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 27% | 0.272 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -17.6 | 178 | 63.6 | 162.6 | 0 | 0 | 0 | 112.5 | Q6 I40 H42 F49 A106 F109 | Q6-I8 PolarHBondContact O-N 3.36Å; I8-I40 HydrophobicContact CD1-CB 4.2Å; I8-I40 HydrophobicContact CD1-CG2 3.73Å; I8-I40 HydrophobicContact CG1-CB 3.81Å; I8-I40 HydrophobicContact CG1-CG2 3.77Å; I8-I40 WeakPolarHBondContact CG1-O 3.27Å; I8-I40 PolarHBondContact N-O 3.47Å; I8-H42 HydrophobicContact CG2-CB 3.79Å; I8-F49 HydrophobicContact CD1-CD1 4Å; I8-F49 HydrophobicContact CD1-CE1 3.93Å; I8-A106 HydrophobicContact CD1-CB 4.24Å; I8-F109 HydrophobicContact CD1-CD1 4.25Å |
| 9 | C | 96.8 | Very high | 88.3 | Confident | 12 Ų | 12 | 65.6 Ų | 65.6 | 8% | 0.081 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 158 | 173.2 | 77.8 | 0 | 0 | 0 | 0 | 111.3 | S7 N39 I40 A106 | S7-C9 PolarHBondContact OG-O 2.82Å; S7-C9 VanDerWaalsContact OG-O 3.12Å; C9-N39 VanDerWaalsContact O-CA 3.29Å; C9-N39 WeakPolarHBondContact O-CA 3.18Å; C9-N39 PolarHBondContact O-OD1 3.33Å; C9-I40 PolarHBondContact O-N 3.35Å; C9-I40 VanDerWaalsContact SG-CD1 3.56Å; C9-I40 WeakPolarHBondContact SG-CG1 3.46Å; C9-A106 HydrophobicContact CB-CB 3.49Å; C9-A106 VanDerWaalsContact CB-CB 3.49Å |
| 10 | Q | 97.1 | Very high | 88.5 | Confident | 112 Ų | 112 | 66 Ų | 66 | 52% | 0.523 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 135.7 | 172.7 | -178.5 | 169.5 | 103.4 | 0 | 0 | 109.6 | R37 I38 N39 | Q10-R37 HydrophobicContact CG-CG 3.94Å; Q10-I38 CarbonylContact C-O 3.46Å; Q10-I38 WeakPolarHBondContact CA-O 3.39Å; Q10-N39 WeakPolarHBondContact CB-OD1 3.36Å; Q10-N39 WeakPolarHBondContact CG-OD1 3.27Å; Q10-N39 PolarHBondContact NE2-OD1 2.97Å; Q10-N39 VanDerWaalsContact NE2-OD1 3.08Å |
| 11 | A | 98.1 | Very high | 88.9 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 3% | 0.025 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 164.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.2 | I38 F94 E99 F103 | A11-I38 PolarHBondContact N-O 2.94Å; A11-I38 PolarHBondContact O-N 2.99Å; A11-F94 HydrophobicContact CB-CD1 4.05Å; A11-F94 HydrophobicContact CB-CE1 3.9Å; A11-E99 HydrophobicContact CB-CB 4.12Å; A11-F103 HydrophobicContact CB-CB 4.21Å; A11-F103 HydrophobicContact CB-CD2 4.41Å |
| 12 | R | 98.1 | Very high | 91.2 | Very high | 117 Ų | 117 | 60 Ų | 60 | 44% | 0.442 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 131.3 | 169.6 | -65 | 178.3 | -63.6 | 159 | 5.8 | 109.7 | S36 F94 A95 E99 | R12-S36 WeakPolarHBondContact CA-O 3.13Å; R12-F94 WeakPolarHBondContact O-CA 3.4Å; R12-A95 HydrophobicContact CB-CB 4.07Å; R12-A95 PolarHBondContact O-N 2.87Å; R12-E99 IonicContact CZ-OE1 2.95Å; R12-E99 IonicContact NE-OE1 2.79Å; R12-E99 PolarHBondContact NE-OE1 3.12Å; R12-E99 IonicContact NH2-OE1 3.3Å; R12-E99 PolarHBondContact NH2-OE1 2.72Å |
| 13 | A | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 154.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S36 I38 L92 N93 F94 | A13-S36 PolarHBondContact N-O 2.83Å; A13-S36 PolarHBondContact O-N 2.8Å; A13-I38 HydrophobicContact CB-CG1 3.89Å; A13-L92 HydrophobicContact CB-CB 4.05Å; A13-L92 HydrophobicContact CB-CD2 4.37Å; A13-N93 CarbonylContact C-O 3.57Å; A13-N93 WeakPolarHBondContact CA-O 3.34Å; A13-N93 WeakPolarHBondContact CB-O 3.18Å; A13-F94 HydrophobicContact CB-CD1 3.81Å; A13-F94 HydrophobicContact CB-CE1 4.08Å; A13-F94 HydrophobicContact CB-CG 4.19Å |
| 14 | S | 96.9 | Very high | 94.8 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 127.6 | 163.1 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | N93 | S14-N93 PolarHBondContact N-O 3.34Å; S14-N93 PolarHBondContact O-N 3.28Å |
| 15 | V | 96.6 | Very high | 95.5 | Very high | 5 Ų | 5 | 62.4 Ų | 62.4 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 122.7 | 179.1 | -171.7 | 0 | 0 | 0 | 0 | 109.7 | I28 I38 V62 I63 L92 | V15-I28 HydrophobicContact CB-CG2 4.05Å; V15-I28 HydrophobicContact CG1-CB 4.16Å; V15-I28 HydrophobicContact CG1-CD1 3.9Å; V15-I28 HydrophobicContact CG1-CG2 4.07Å; V15-I28 PolarHBondContact O-N 3.07Å; V15-I38 HydrophobicContact CG2-CD1 3.62Å; V15-V62 HydrophobicContact CB-CG2 4.45Å; V15-V62 HydrophobicContact CG2-CG2 3.9Å; V15-I63 HydrophobicContact CG1-CB 4.18Å; V15-I63 HydrophobicContact CG1-CD1 4.11Å; V15-I63 HydrophobicContact CG1-CG2 4.19Å; V15-I63 HydrophobicContact CG2-CG2 4.02Å; V15-L92 HydrophobicContact CB-CD2 4.3Å; V15-L92 HydrophobicContact CG1-CD2 4.25Å; V15-L92 HydrophobicContact CG2-CD2 3.83Å |
| 16 | M | 96.4 | Very high | 95.9 | Very high | 29 Ų | 29 | 60.8 Ų | 60.8 | 14% | 0.143 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 152.3 | -176.4 | -53.6 | -63.6 | -72.3 | 0 | 0 | 109.9 | W25 V26 P27 G91 | M16-W25 HydrophobicContact CB-CE3 3.83Å; M16-W25 HydrophobicContact CB-CZ3 4.48Å; M16-W25 HydrophobicContact CE-CB 4.02Å; M16-V26 CarbonylContact C-O 3.57Å; M16-V26 WeakPolarHBondContact CA-O 3.45Å; M16-P27 HydrophobicContact CE-CG 4.33Å; M16-P27 HydrophobicContact SD-CB 4.45Å; M16-P27 HydrophobicContact SD-CG 4.39Å; M16-G91 PolarHBondContact N-O 2.78Å; M16-G91 PolarHBondContact O-N 3.31Å |
| 17 | V | 95.8 | Very high | 95.9 | Very high | 20 Ų | 20 | 56 Ų | 56 | 12% | 0.121 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 140.4 | 170.9 | -67.7 | 0 | 0 | 0 | 0 | 108.5 | V26 I28 Q88 V89 Y90 | V17-V26 HydrophobicContact CG2-CG2 3.61Å; V17-V26 PolarHBondContact N-O 3.26Å; V17-V26 WeakPolarHBondContact O-CG2 3.38Å; V17-V26 PolarHBondContact O-N 3.34Å; V17-I28 HydrophobicContact CG1-CB 4.14Å; V17-I28 HydrophobicContact CG1-CD1 3.97Å; V17-I28 HydrophobicContact CG1-CG1 3.87Å; V17-Q88 HydrophobicContact CG1-CG 4.31Å; V17-V89 WeakPolarHBondContact CA-O 3.14Å; V17-Y90 HydrophobicContact CG1-CD1 3.92Å; V17-Y90 HydrophobicContact CG1-CE1 4.08Å |
| 18 | Y | 96.6 | Very high | 95.8 | Very high | 60 Ų | 60 | 56 Ų | 56 | 24% | 0.235 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 122.2 | 174.3 | -166.7 | -105.7 | 0 | 0 | 0 | 109.2 | D20 K23 W25 Q88 V89 | Y18-D20 WeakPolarHBondContact CD1-OD1 3.31Å; Y18-D20 WeakPolarHBondContact CE1-OD1 3.37Å; Y18-K23 HydrophobicContact CE1-CD 4.46Å; Y18-K23 WeakPolarHBondContact OH-CA 3.37Å; Y18-K23 PolarHBondContact OH-O 3.07Å; Y18-W25 AromaticContact CD2-CD2 3.93Å; Y18-W25 HydrophobicContact CD2-CD2 3.93Å; Y18-W25 AromaticContact CD2-CE2 3.76Å; Y18-W25 HydrophobicContact CD2-CE3 4.45Å; Y18-W25 HydrophobicContact CD2-CG 4.19Å; Y18-W25 HydrophobicContact CD2-CZ2 4.17Å; Y18-W25 AromaticContact CD2-NE1 3.9Å; Y18-Q88 PolarHBondContact O-NE2 3.39Å; Y18-V89 PolarHBondContact N-O 2.9Å |
| 19 | D | 94.9 | Very high | 95.3 | Very high | 53 Ų | 53 | 56.6 Ų | 56.6 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 113.5 | 170.8 | 174.5 | 15.1 | 0 | 0 | 0 | 109.3 | T21 S22 K23 K24 V26 | D19-T21 PolarHBondContact O-N 2.55Å; D19-T21 WeakPolarHBondContact OD1-CB 3.29Å; D19-T21 PolarHBondContact OD1-N 3Å; D19-T21 PolarHBondContact OD1-OG1 3.49Å; D19-S22 VanDerWaalsContact CG-OG 3.3Å; D19-S22 WeakPolarHBondContact OD2-CB 3.2Å; D19-S22 PolarHBondContact OD2-N 3.42Å; D19-S22 PolarHBondContact OD2-OG 2.89Å; D19-K23 VanDerWaalsContact O-CA 3.31Å; D19-K23 WeakPolarHBondContact O-CA 3.5Å; D19-K23 PolarHBondContact O-N 3.21Å; D19-K24 PolarHBondContact N-O 2.86Å; D19-K24 PolarHBondContact O-N 2.96Å; D19-V26 HydrophobicContact CB-CG1 4.42Å; D19-V26 HydrophobicContact CB-CG2 4.19Å |
| 20 | D | 93.6 | Very high | 94.6 | Very high | 73 Ų | 73 | 62 Ų | 62 | 39% | 0.39 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -21.3 | -179.9 | -80.4 | -36 | 0 | 0 | 0 | 113.3 | Y18 K23 | Y18-D20 WeakPolarHBondContact CD1-OD1 3.31Å; Y18-D20 WeakPolarHBondContact CE1-OD1 3.37Å; D20-K23 VanDerWaalsContact O-CD 3.31Å; D20-K23 WeakPolarHBondContact O-CD 3.37Å; D20-K23 WeakPolarHBondContact O-CE 3.42Å; D20-K23 PolarHBondContact O-NZ 2.81Å |
| 21 | T | 95.4 | Very high | 93.7 | Very high | 132 Ų | 132 | 60.6 Ų | 60.6 | 81% | 0.81 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -50.7 | 179.6 | -46.9 | 0 | 0 | 0 | 0 | 110.5 | D19 | D19-T21 PolarHBondContact O-N 2.55Å; D19-T21 WeakPolarHBondContact OD1-CB 3.29Å; D19-T21 PolarHBondContact OD1-N 3Å; D19-T21 PolarHBondContact OD1-OG1 3.49Å |
| 22 | S | 94.8 | Very high | 92.6 | Very high | 46 Ų | 46 | 64 Ų | 64 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 1.4 | -179.1 | 64.8 | 0 | 0 | 0 | 0 | 114.1 | D19 K24 | D19-S22 VanDerWaalsContact CG-OG 3.3Å; D19-S22 WeakPolarHBondContact OD2-CB 3.2Å; D19-S22 PolarHBondContact OD2-N 3.42Å; D19-S22 PolarHBondContact OD2-OG 2.89Å; S22-K24 PolarHBondContact O-N 3.21Å; S22-K24 VanDerWaalsContact O-N 3.12Å; S22-K24 WeakPolarHBondContact OG-CD 3.34Å; S22-K24 WeakPolarHBondContact OG-CE 3.31Å; S22-K24 VanDerWaalsContact OG-CG 3.29Å; S22-K24 WeakPolarHBondContact OG-CG 3.34Å |
| 23 | K | 95.3 | Very high | 92 | Very high | 136 Ų | 136 | 65.3 Ų | 65.3 | 59% | 0.591 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 31.3 | 179.1 | -60.7 | -59.6 | -175.8 | -153 | 0 | 113.9 | Y18 D19 D20 | Y18-K23 HydrophobicContact CE1-CD 4.46Å; Y18-K23 WeakPolarHBondContact OH-CA 3.37Å; Y18-K23 PolarHBondContact OH-O 3.07Å; D19-K23 VanDerWaalsContact O-CA 3.31Å; D19-K23 WeakPolarHBondContact O-CA 3.5Å; D19-K23 PolarHBondContact O-N 3.21Å; D20-K23 VanDerWaalsContact O-CD 3.31Å; D20-K23 WeakPolarHBondContact O-CD 3.37Å; D20-K23 WeakPolarHBondContact O-CE 3.42Å; D20-K23 PolarHBondContact O-NZ 2.81Å |
| 24 | K | 95.4 | Very high | 91.7 | Very high | 117 Ų | 117 | 66.6 Ų | 66.6 | 51% | 0.509 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 153.1 | -174.9 | 80.3 | -160.7 | 179.4 | -177.8 | 0 | 111.5 | D19 S22 V26 | D19-K24 PolarHBondContact N-O 2.86Å; D19-K24 PolarHBondContact O-N 2.96Å; S22-K24 PolarHBondContact O-N 3.21Å; S22-K24 VanDerWaalsContact O-N 3.12Å; S22-K24 WeakPolarHBondContact OG-CD 3.34Å; S22-K24 WeakPolarHBondContact OG-CE 3.31Å; S22-K24 VanDerWaalsContact OG-CG 3.29Å; S22-K24 WeakPolarHBondContact OG-CG 3.34Å; K24-V26 HydrophobicContact CD-CG1 4.22Å; K24-V26 HydrophobicContact CG-CG1 3.68Å; K24-V26 PolarHBondContact O-N 3.45Å |
| 25 | W | 95.4 | Very high | 91.6 | Very high | 78 Ų | 78 | 70.5 Ų | 70.5 | 30% | 0.295 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 124.8 | 168.1 | -69 | 99.4 | 0 | 0 | 0 | 109.4 | M16 Y18 F80 Q82 V89 | M16-W25 HydrophobicContact CB-CE3 3.83Å; M16-W25 HydrophobicContact CB-CZ3 4.48Å; M16-W25 HydrophobicContact CE-CB 4.02Å; Y18-W25 AromaticContact CD2-CD2 3.93Å; Y18-W25 HydrophobicContact CD2-CD2 3.93Å; Y18-W25 AromaticContact CD2-CE2 3.76Å; Y18-W25 HydrophobicContact CD2-CE3 4.45Å; Y18-W25 HydrophobicContact CD2-CG 4.19Å; Y18-W25 HydrophobicContact CD2-CZ2 4.17Å; Y18-W25 AromaticContact CD2-NE1 3.9Å; W25-F80 HydrophobicContact CD2-CE1 4.43Å; W25-F80 AromaticContact CD2-CZ 3.73Å; W25-F80 HydrophobicContact CD2-CZ 3.73Å; W25-F80 AromaticContact CE2-CE1 3.78Å; W25-F80 AromaticContact CE2-CZ 3.54Å; W25-F80 AromaticContact CE3-CZ 3.98Å; W25-F80 HydrophobicContact CE3-CZ 3.98Å; W25-F80 HydrophobicContact CG-CZ 4.37Å; W25-F80 HydrophobicContact CH2-CE1 4.19Å; W25-F80 AromaticContact CH2-CZ 3.83Å; W25-F80 HydrophobicContact CH2-CZ 3.83Å; W25-F80 AromaticContact CZ2-CE1 3.66Å; W25-F80 HydrophobicContact CZ2-CE1 3.66Å; W25-F80 AromaticContact CZ2-CZ 3.61Å; W25-F80 HydrophobicContact CZ2-CZ 3.61Å; W25-F80 HydrophobicContact CZ3-CZ 4.02Å; W25-Q82 HydrophobicContact CH2-CB 4Å; W25-Q82 HydrophobicContact CZ2-CB 4.5Å; W25-Q82 VanDerWaalsContact CZ2-OE1 3.25Å; W25-V89 HydrophobicContact CH2-CB 4.5Å; W25-V89 HydrophobicContact CH2-CG1 3.8Å |
| 26 | V | 95.2 | Very high | 91.6 | Very high | 37 Ų | 37 | 70.4 Ų | 70.4 | 22% | 0.224 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 148.5 | 175 | -60.8 | 0 | 0 | 0 | 0 | 109.8 | M16 V17 D19 K24 | M16-V26 CarbonylContact C-O 3.57Å; M16-V26 WeakPolarHBondContact CA-O 3.45Å; V17-V26 HydrophobicContact CG2-CG2 3.61Å; V17-V26 PolarHBondContact N-O 3.26Å; V17-V26 WeakPolarHBondContact O-CG2 3.38Å; V17-V26 PolarHBondContact O-N 3.34Å; D19-V26 HydrophobicContact CB-CG1 4.42Å; D19-V26 HydrophobicContact CB-CG2 4.19Å; K24-V26 HydrophobicContact CD-CG1 4.22Å; K24-V26 HydrophobicContact CG-CG1 3.68Å; K24-V26 PolarHBondContact O-N 3.45Å |
| 27 | P | 94 | Very high | 91.7 | Very high | 26 Ų | 26 | 74.7 Ų | 74.7 | 17% | 0.169 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 143.2 | 171.2 | -21.1 | 32.5 | 0 | 0 | 0 | 110.3 | M16 K29 Q33 | M16-P27 HydrophobicContact CE-CG 4.33Å; M16-P27 HydrophobicContact SD-CB 4.45Å; M16-P27 HydrophobicContact SD-CG 4.39Å; P27-K29 PolarHBondContact O-N 3.01Å; P27-Q33 HydrophobicContact CB-CG 4.33Å; P27-Q33 HydrophobicContact CG-CG 3.61Å |
| 28 | I | 91 | Very high | 91.8 | Very high | 48 Ų | 48 | 73.8 Ų | 73.8 | 25% | 0.246 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -58 | -26.2 | -177.5 | -168 | 156.5 | 0 | 0 | 0 | 113.6 | V15 V17 V62 I63 Y90 | V15-I28 HydrophobicContact CB-CG2 4.05Å; V15-I28 HydrophobicContact CG1-CB 4.16Å; V15-I28 HydrophobicContact CG1-CD1 3.9Å; V15-I28 HydrophobicContact CG1-CG2 4.07Å; V15-I28 PolarHBondContact O-N 3.07Å; V17-I28 HydrophobicContact CG1-CB 4.14Å; V17-I28 HydrophobicContact CG1-CD1 3.97Å; V17-I28 HydrophobicContact CG1-CG1 3.87Å; I28-V62 VanDerWaalsContact CD1-O 3.27Å; I28-V62 WeakPolarHBondContact CD1-O 3.48Å; I28-V62 HydrophobicContact CG2-CB 3.96Å; I28-I63 HydrophobicContact CD1-CB 4.29Å; I28-Y90 HydrophobicContact CD1-CD1 4.48Å; I28-Y90 HydrophobicContact CD1-CE1 4.19Å |
| 29 | K | 84.9 | Confident | 91.9 | Very high | 65 Ų | 65 | 71.4 Ų | 71.4 | 28% | 0.283 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -124.1 | 127.8 | 170.1 | -68.7 | -176.2 | -172.5 | 174.6 | 0 | 109.9 | P27 Q32 V61 | P27-K29 PolarHBondContact O-N 3.01Å; K29-Q32 HydrophobicContact CB-CB 3.89Å; K29-Q32 HydrophobicContact CB-CG 4.49Å; K29-Q32 PolarHBondContact O-N 3.23Å; K29-V61 PolarHBondContact NZ-O 2.83Å |
| 30 | P | 82.4 | Confident | 92 | Very high | 125 Ų | 125 | 68.9 Ų | 68.9 | 81% | 0.812 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 142 | 177.8 | 25.6 | -32.7 | 0 | 0 | 0 | 110.8 | Q32 | P30-Q32 PolarHBondContact O-N 2.92Š|
| 31 | G | 79.7 | Confident | 92.2 | Very high | 83 Ų | 83 | 68.2 Ų | 68.2 | 86% | 0.856 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | -1.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 32 | Q | 74.4 | Confident | 92.2 | Very high | 75 Ų | 75 | 63.3 Ų | 63.3 | 35% | 0.35 | 33% | 0.331 | S | S | . | . | trans | -120.8 | 65.7 | -170.1 | -82.2 | -66.5 | -17.6 | 0 | 0 | 110.7 | K29 P30 K55 | K29-Q32 HydrophobicContact CB-CB 3.89Å; K29-Q32 HydrophobicContact CB-CG 4.49Å; K29-Q32 PolarHBondContact O-N 3.23Å; P30-Q32 PolarHBondContact O-N 2.92Å; Q32-K55 VanDerWaalsContact C-NZ 3.26Å; Q32-K55 PolarHBondContact O-NZ 3.1Å | ||
| 33 | Q | 84.1 | Confident | 92.2 | Very high | 144 Ų | 144 | 62.8 Ų | 62.8 | 67% | 0.673 | 32% | 0.324 | S | S | * | . | trans | -83.5 | 143.8 | 173.9 | -69.4 | -173.4 | -16.7 | 0 | 0 | 111.7 | P27 | P27-Q33 HydrophobicContact CB-CG 4.33Å; P27-Q33 HydrophobicContact CG-CG 3.61Å | ||
| 34 | G | 91.8 | Very high | 92 | Very high | 27 Ų | 27 | 60.4 Ų | 60.4 | 28% | 0.278 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 147.3 | 171.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 35 | F | 95.7 | Very high | 91.7 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 44% | 0.443 | 33% | 0.33 | S | S | . | . | trans | -74.2 | 139.7 | 178.8 | -68.8 | -68.9 | 0 | 0 | 0 | 111.9 | L56 A95 | F35-L56 HydrophobicContact CB-CD1 3.86Å; F35-L56 PolarHBondContact O-N 3.27Å; F35-A95 HydrophobicContact CD1-CB 3.98Å; F35-A95 HydrophobicContact CE1-CB 3.53Å; F35-A95 HydrophobicContact CZ-CB 3.87Å | ||
| 36 | S | 97.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 145.6 | 170.7 | -56.6 | 0 | 0 | 0 | 0 | 108.9 | R12 A13 I38 V54 V62 | R12-S36 WeakPolarHBondContact CA-O 3.13Å; A13-S36 PolarHBondContact N-O 2.83Å; A13-S36 PolarHBondContact O-N 2.8Å; S36-I38 PolarHBondContact O-N 3.04Å; S36-V54 CarbonylContact C-O 3.58Å; S36-V54 VanDerWaalsContact CA-O 3.25Å; S36-V54 WeakPolarHBondContact CA-O 3.33Å; S36-V54 WeakPolarHBondContact CB-O 3.2Å; S36-V62 WeakPolarHBondContact OG-CG2 3.36Å |
| 37 | R | 97.6 | Very high | 91.2 | Very high | 120 Ų | 120 | 58.2 Ų | 58.2 | 45% | 0.453 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 112.6 | 166.1 | -177.7 | -179.3 | -73.6 | 157.5 | 1.1 | 107.8 | Q10 G53 V54 L56 | Q10-R37 HydrophobicContact CG-CG 3.94Å; R37-G53 WeakPolarHBondContact O-CA 3.46Å; R37-V54 PolarHBondContact N-O 3Å; R37-V54 PolarHBondContact O-N 3.18Å; R37-L56 HydrophobicContact CB-CD2 3.97Å |
| 38 | I | 98.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 125.2 | 177.8 | -46.9 | -54.7 | 0 | 0 | 0 | 108.2 | Q10 A11 A13 V15 S36 V51 V52 L92 F103 | Q10-I38 CarbonylContact C-O 3.46Å; Q10-I38 WeakPolarHBondContact CA-O 3.39Å; A11-I38 PolarHBondContact N-O 2.94Å; A11-I38 PolarHBondContact O-N 2.99Å; A13-I38 HydrophobicContact CB-CG1 3.89Å; V15-I38 HydrophobicContact CG2-CD1 3.62Å; S36-I38 PolarHBondContact O-N 3.04Å; I38-V51 HydrophobicContact CG2-CG1 3.6Å; I38-V52 WeakPolarHBondContact CA-O 3.38Å; I38-L92 HydrophobicContact CD1-CD2 4.27Å; I38-L92 HydrophobicContact CG1-CD2 4.35Å; I38-L92 HydrophobicContact CG2-CD1 4.21Å; I38-F103 HydrophobicContact CB-CE2 4.47Å; I38-F103 HydrophobicContact CG2-CD2 4.19Å; I38-F103 HydrophobicContact CG2-CE2 3.51Å; I38-F103 HydrophobicContact CG2-CZ 4.25Å |
| 39 | N | 97.8 | Very high | 91.4 | Very high | 10 Ų | 10 | 58.1 Ų | 58.1 | 5% | 0.053 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 146.1 | 171.4 | -61.2 | -68.6 | 0 | 0 | 0 | 109.7 | C9 Q10 Y41 V52 | C9-N39 VanDerWaalsContact O-CA 3.29Å; C9-N39 WeakPolarHBondContact O-CA 3.18Å; C9-N39 PolarHBondContact O-OD1 3.33Å; Q10-N39 WeakPolarHBondContact CB-OD1 3.36Å; Q10-N39 WeakPolarHBondContact CG-OD1 3.27Å; Q10-N39 PolarHBondContact NE2-OD1 2.97Å; Q10-N39 VanDerWaalsContact NE2-OD1 3.08Å; N39-Y41 HydrophobicContact CB-CD2 4.12Å; N39-Y41 HydrophobicContact CB-CE2 3.6Å; N39-V52 PolarHBondContact N-O 3.42Å; N39-V52 PolarHBondContact O-N 3.27Å |
| 40 | I | 97.8 | Very high | 92 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 120.9 | 162.5 | -59 | 176.9 | 0 | 0 | 0 | 106.8 | S7 I8 C9 F49 R50 V51 I67 F103 A106 M107 | S7-I40 WeakPolarHBondContact CA-O 3.46Å; I8-I40 HydrophobicContact CD1-CB 4.2Å; I8-I40 HydrophobicContact CD1-CG2 3.73Å; I8-I40 HydrophobicContact CG1-CB 3.81Å; I8-I40 HydrophobicContact CG1-CG2 3.77Å; I8-I40 WeakPolarHBondContact CG1-O 3.27Å; I8-I40 PolarHBondContact N-O 3.47Å; C9-I40 PolarHBondContact O-N 3.35Å; C9-I40 VanDerWaalsContact SG-CD1 3.56Å; C9-I40 WeakPolarHBondContact SG-CG1 3.46Å; I40-F49 HydrophobicContact CG2-CD1 4.34Å; I40-R50 CarbonylContact C-O 3.59Å; I40-R50 WeakPolarHBondContact CA-O 3.39Å; I40-V51 HydrophobicContact CG1-CG2 4.31Å; I40-I67 HydrophobicContact CG2-CD1 4.18Å; I40-F103 HydrophobicContact CD1-CD2 4.13Å; I40-F103 HydrophobicContact CD1-CE2 3.71Å; I40-F103 HydrophobicContact CD1-CZ 3.94Å; I40-F103 HydrophobicContact CG1-CD2 4.28Å; I40-F103 HydrophobicContact CG1-CE2 3.65Å; I40-F103 HydrophobicContact CG1-CZ 4.16Å; I40-A106 HydrophobicContact CD1-CB 4.05Å; I40-M107 HydrophobicContact CD1-CB 4.17Å; I40-M107 HydrophobicContact CD1-SD 3.98Å |
| 41 | Y | 97.3 | Very high | 92.7 | Very high | 60 Ų | 60 | 52.3 Ų | 52.3 | 24% | 0.235 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 137 | 174.3 | -69.4 | -84.9 | 0 | 0 | 0 | 110.2 | E5 Q6 N39 F49 R50 V52 | E5-Y41 HydrophobicContact CB-CD1 4.43Å; Q6-Y41 CarbonylContact O-C 3.55Å; Q6-Y41 WeakPolarHBondContact O-CA 3.03Å; N39-Y41 HydrophobicContact CB-CD2 4.12Å; N39-Y41 HydrophobicContact CB-CE2 3.6Å; Y41-F49 CarbonylContact O-C 3.6Å; Y41-F49 VanDerWaalsContact O-CA 3.28Å; Y41-F49 WeakPolarHBondContact O-CA 3.31Å; Y41-R50 PolarHBondContact N-O 3.23Å; Y41-R50 PolarHBondContact O-N 2.94Å; Y41-V52 HydrophobicContact CD2-CB 3.97Å; Y41-V52 HydrophobicContact CD2-CG2 3.75Å; Y41-V52 HydrophobicContact CE2-CB 3.86Å; Y41-V52 HydrophobicContact CE2-CG1 4.46Å; Y41-V52 HydrophobicContact CE2-CG2 4.07Å |
| 42 | H | 95.9 | Very high | 93.6 | Very high | 29 Ų | 29 | 49 Ų | 49 | 13% | 0.134 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 124.6 | 169.8 | 179.7 | -147.9 | 0 | 0 | 0 | 108.9 | E5 Q6 I8 N47 F49 | E5-H42 WeakPolarHBondContact CA-O 3.33Å; Q6-H42 PolarHBondContact N-O 3.39Å; Q6-H42 PolarHBondContact O-N 3.23Å; I8-H42 HydrophobicContact CG2-CB 3.79Å; H42-N47 PolarHBondContact NE2-OD1 3.05Å; H42-F49 HydrophobicContact CB-CD1 3.75Å; H42-F49 HydrophobicContact CB-CE1 3.55Å; H42-F49 HydrophobicContact CB-CZ 4.37Å; H42-F49 AromaticContact CD2-CD1 3.83Å; H42-F49 AromaticContact CD2-CE1 3.36Å; H42-F49 WeakPolarHBondContact CD2-CE1 3.41Å; H42-F49 AromaticContact CD2-CE2 3.71Å; H42-F49 AromaticContact CD2-CZ 3.28Å; H42-F49 WeakPolarHBondContact CD2-CZ 3.14Å; H42-F49 AromaticContact CG-CD1 4Å; H42-F49 AromaticContact CG-CE1 3.43Å; H42-F49 VanDerWaalsContact CG-CE1 3.43Å; H42-F49 AromaticContact CG-CZ 3.76Å; H42-F49 AromaticContact NE2-CE2 3.93Å; H42-F49 AromaticContact NE2-CZ 3.53Å |
| 43 | N | 94.7 | Very high | 94.7 | Very high | 35 Ų | 35 | 45.4 Ų | 45.4 | 19% | 0.187 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 110.6 | 167.6 | -175.1 | -32.9 | 0 | 0 | 0 | 108.2 | S4 E5 A45 S46 N47 T48 | S4-N43 WeakPolarHBondContact O-CA 3.4Å; E5-N43 HydrophobicContact CG-CB 4.44Å; N43-A45 VanDerWaalsContact C-N 3.32Å; N43-A45 PolarHBondContact O-N 2.94Å; N43-A45 WeakPolarHBondContact OD1-CB 3.34Å; N43-A45 PolarHBondContact OD1-N 2.8Å; N43-S46 WeakPolarHBondContact CB-OG 3.39Å; N43-S46 PolarHBondContact ND2-OG 2.81Å; N43-S46 PolarHBondContact OD1-N 3.29Å; N43-S46 PolarHBondContact OD1-OG 2.79Å; N43-N47 CarbonylContact O-C 3.58Å; N43-N47 WeakPolarHBondContact O-CA 3.41Å; N43-N47 PolarHBondContact O-N 2.82Å; N43-T48 PolarHBondContact N-O 2.88Å; N43-T48 PolarHBondContact O-N 2.8Å |
| 44 | T | 90.8 | Very high | 95.2 | Very high | 86 Ų | 86 | 40.4 Ų | 40.4 | 53% | 0.528 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -24 | -176.9 | 53.5 | 0 | 0 | 0 | 0 | 113 | S4 | S4-T44 PolarHBondContact O-N 3.44Š|
| 45 | A | 90.1 | Very high | 95.4 | Very high | 83 Ų | 83 | 39.5 Ų | 39.5 | 69% | 0.686 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -42.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | N43 | N43-A45 VanDerWaalsContact C-N 3.32Å; N43-A45 PolarHBondContact O-N 2.94Å; N43-A45 WeakPolarHBondContact OD1-CB 3.34Å; N43-A45 PolarHBondContact OD1-N 2.8Å |
| 46 | S | 89.3 | Confident | 95.3 | Very high | 59 Ų | 59 | 38.4 Ų | 38.4 | 41% | 0.413 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -6.8 | 176.5 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | N43 T48 | N43-S46 WeakPolarHBondContact CB-OG 3.39Å; N43-S46 PolarHBondContact ND2-OG 2.81Å; N43-S46 PolarHBondContact OD1-N 3.29Å; N43-S46 PolarHBondContact OD1-OG 2.79Å; S46-T48 PolarHBondContact O-N 3.38Å; S46-T48 PolarHBondContact OG-OG1 3.43Å |
| 47 | N | 90.7 | Very high | 94.9 | Very high | 43 Ų | 43 | 45.7 Ų | 45.7 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 38.9 | -170.7 | -160.6 | 20 | 0 | 0 | 0 | 113.5 | H42 N43 | H42-N47 PolarHBondContact NE2-OD1 3.05Å; N43-N47 CarbonylContact O-C 3.58Å; N43-N47 WeakPolarHBondContact O-CA 3.41Å; N43-N47 PolarHBondContact O-N 2.82Å |
| 48 | T | 93.4 | Very high | 94.6 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 43% | 0.429 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 148.2 | 180 | 55.5 | 0 | 0 | 0 | 0 | 110.9 | N43 S46 | N43-T48 PolarHBondContact N-O 2.88Å; N43-T48 PolarHBondContact O-N 2.8Å; S46-T48 PolarHBondContact O-N 3.38Å; S46-T48 PolarHBondContact OG-OG1 3.43Å |
| 49 | F | 96.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.013 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 146.2 | 176.3 | -61.5 | -97.2 | 0 | 0 | 0 | 111.3 | I8 I40 Y41 H42 I67 A110 I113 M114 | I8-F49 HydrophobicContact CD1-CD1 4Å; I8-F49 HydrophobicContact CD1-CE1 3.93Å; I40-F49 HydrophobicContact CG2-CD1 4.34Å; Y41-F49 CarbonylContact O-C 3.6Å; Y41-F49 VanDerWaalsContact O-CA 3.28Å; Y41-F49 WeakPolarHBondContact O-CA 3.31Å; H42-F49 HydrophobicContact CB-CD1 3.75Å; H42-F49 HydrophobicContact CB-CE1 3.55Å; H42-F49 HydrophobicContact CB-CZ 4.37Å; H42-F49 AromaticContact CD2-CD1 3.83Å; H42-F49 AromaticContact CD2-CE1 3.36Å; H42-F49 WeakPolarHBondContact CD2-CE1 3.41Å; H42-F49 AromaticContact CD2-CE2 3.71Å; H42-F49 AromaticContact CD2-CZ 3.28Å; H42-F49 WeakPolarHBondContact CD2-CZ 3.14Å; H42-F49 AromaticContact CG-CD1 4Å; H42-F49 AromaticContact CG-CE1 3.43Å; H42-F49 VanDerWaalsContact CG-CE1 3.43Å; H42-F49 AromaticContact CG-CZ 3.76Å; H42-F49 AromaticContact NE2-CE2 3.93Å; H42-F49 AromaticContact NE2-CZ 3.53Å; F49-I67 HydrophobicContact CB-CB 4.21Å; F49-I67 HydrophobicContact CB-CD1 3.83Å; F49-I67 HydrophobicContact CB-CG1 4.36Å; F49-I67 PolarHBondContact O-N 2.81Å; F49-A110 HydrophobicContact CB-CB 4.05Å; F49-A110 HydrophobicContact CD1-CB 3.57Å; F49-A110 HydrophobicContact CD2-CB 3.94Å; F49-A110 HydrophobicContact CE1-CB 3.91Å; F49-A110 HydrophobicContact CE2-CB 4.27Å; F49-A110 HydrophobicContact CG-CB 3.58Å; F49-A110 HydrophobicContact CZ-CB 4.25Å; F49-I113 HydrophobicContact CE2-CB 4.09Å; F49-I113 HydrophobicContact CE2-CG2 3.91Å; F49-I113 HydrophobicContact CZ-CB 4.21Å; F49-I113 HydrophobicContact CZ-CD1 3.93Å; F49-I113 HydrophobicContact CZ-CG2 4.15Å; F49-M114 HydrophobicContact CB-SD 4.4Å; F49-M114 HydrophobicContact CD2-CG 3.68Å; F49-M114 HydrophobicContact CD2-SD 3.83Å; F49-M114 HydrophobicContact CE2-CG 4Å |
| 50 | R | 96.8 | Very high | 94.2 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 141.4 | 176.5 | 64.6 | -179.1 | -165.5 | 165.3 | 6.1 | 111.8 | E5 I40 Y41 V52 Y65 | E5-R50 VanDerWaalsContact CD-CZ 3.46Å; E5-R50 IonicContact OE1-CZ 3.18Å; E5-R50 IonicContact OE1-NE 3.2Å; E5-R50 PolarHBondContact OE1-NE 3.34Å; E5-R50 IonicContact OE1-NH1 3.28Å; E5-R50 PolarHBondContact OE1-NH1 2.72Å; E5-R50 IonicContact OE1-NH2 3.18Å; E5-R50 PolarHBondContact OE1-NH2 3.36Å; E5-R50 IonicContact OE2-CZ 3.44Å; E5-R50 VanDerWaalsContact OE2-CZ 3.28Å; E5-R50 IonicContact OE2-NE 3.81Å; E5-R50 IonicContact OE2-NH2 2.6Å; E5-R50 PolarHBondContact OE2-NH2 3.37Å; I40-R50 CarbonylContact C-O 3.59Å; I40-R50 WeakPolarHBondContact CA-O 3.39Å; Y41-R50 PolarHBondContact N-O 3.23Å; Y41-R50 PolarHBondContact O-N 2.94Å; R50-V52 HydrophobicContact CG-CG2 4.08Å; R50-Y65 CarbonylContact C-O 3.58Å; R50-Y65 VanDerWaalsContact CA-O 3.23Å; R50-Y65 WeakPolarHBondContact CA-O 2.96Å |
| 51 | V | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 120.7 | 171 | -173.4 | 0 | 0 | 0 | 0 | 108 | I38 I40 N64 Y65 I67 W83 F103 M107 | I38-V51 HydrophobicContact CG2-CG1 3.6Å; I40-V51 HydrophobicContact CG1-CG2 4.31Å; V51-N64 WeakPolarHBondContact O-CA 3.25Å; V51-Y65 PolarHBondContact N-O 2.91Å; V51-Y65 PolarHBondContact O-N 2.9Å; V51-I67 HydrophobicContact CG2-CD1 3.81Å; V51-I67 HydrophobicContact CG2-CG1 3.88Å; V51-W83 HydrophobicContact CG1-CH2 4.49Å; V51-F103 HydrophobicContact CG1-CE2 4.25Å; V51-F103 HydrophobicContact CG1-CZ 4.1Å; V51-F103 HydrophobicContact CG2-CZ 4.37Å; V51-M107 HydrophobicContact CG2-SD 4.27Å |
| 52 | V | 97.4 | Very high | 93.9 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 123.7 | 176.6 | -178.7 | 0 | 0 | 0 | 0 | 108.8 | I38 N39 Y41 R50 V54 V61 I63 | I38-V52 WeakPolarHBondContact CA-O 3.38Å; N39-V52 PolarHBondContact N-O 3.42Å; N39-V52 PolarHBondContact O-N 3.27Å; Y41-V52 HydrophobicContact CD2-CB 3.97Å; Y41-V52 HydrophobicContact CD2-CG2 3.75Å; Y41-V52 HydrophobicContact CE2-CB 3.86Å; Y41-V52 HydrophobicContact CE2-CG1 4.46Å; Y41-V52 HydrophobicContact CE2-CG2 4.07Å; R50-V52 HydrophobicContact CG-CG2 4.08Å; V52-V54 HydrophobicContact CG1-CG2 4.2Å; V52-V61 HydrophobicContact CG1-CG1 4.38Å; V52-I63 WeakPolarHBondContact CA-O 3.41Å |
| 53 | G | 97.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | R37 V61 V62 I63 | R37-G53 WeakPolarHBondContact O-CA 3.46Å; G53-V61 WeakPolarHBondContact O-CA 3.23Å; G53-V62 VanDerWaalsContact O-CG2 3.27Å; G53-V62 WeakPolarHBondContact O-CG2 3.4Å; G53-V62 PolarHBondContact O-N 3.38Å; G53-I63 VanDerWaalsContact N-CG2 3.35Å; G53-I63 PolarHBondContact N-O 2.85Å; G53-I63 PolarHBondContact O-N 3.48Å |
| 54 | V | 96.4 | Very high | 94 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 125.4 | 178.6 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | S36 R37 V52 Q59 Q60 V61 | S36-V54 CarbonylContact C-O 3.58Å; S36-V54 VanDerWaalsContact CA-O 3.25Å; S36-V54 WeakPolarHBondContact CA-O 3.33Å; S36-V54 WeakPolarHBondContact CB-O 3.2Å; R37-V54 PolarHBondContact N-O 3Å; R37-V54 PolarHBondContact O-N 3.18Å; V52-V54 HydrophobicContact CG1-CG2 4.2Å; V54-Q59 VanDerWaalsContact CG1-C 3.41Å; V54-Q59 HydrophobicContact CG1-CB 4.22Å; V54-Q59 VanDerWaalsContact CG1-O 3.27Å; V54-Q59 WeakPolarHBondContact CG1-O 3.27Å; V54-Q60 CarbonylContact C-O 3.44Å; V54-Q60 WeakPolarHBondContact CA-O 2.96Å; V54-V61 HydrophobicContact CG2-CG2 4.3Å |
| 55 | K | 94.3 | Very high | 94.3 | Very high | 8 Ų | 8 | 54.3 Ų | 54.3 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 140.9 | 177.3 | -96.4 | 170.2 | 175.1 | -91.3 | 0 | 111.2 | Q32 Q57 D58 Q59 Q60 V62 | Q32-K55 VanDerWaalsContact C-NZ 3.26Å; Q32-K55 PolarHBondContact O-NZ 3.1Å; K55-Q57 VanDerWaalsContact C-N 3.34Å; K55-D58 WeakPolarHBondContact CB-OD1 3.35Å; K55-D58 WeakPolarHBondContact CD-OD1 3.19Å; K55-Q59 WeakPolarHBondContact O-CA 3.41Å; K55-Q59 PolarHBondContact O-N 2.85Å; K55-Q59 VanDerWaalsContact O-N 3.15Å; K55-Q60 PolarHBondContact N-O 3.15Å; K55-V62 HydrophobicContact CB-CG1 4.44Å; K55-V62 HydrophobicContact CD-CG1 3.5Å; K55-V62 HydrophobicContact CG-CG1 3.6Å |
| 56 | L | 93.5 | Very high | 94.5 | Very high | 78 Ų | 78 | 54.1 Ų | 54.1 | 41% | 0.408 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -25.6 | 179.9 | -67.8 | 174.4 | 0 | 0 | 0 | 113.3 | F35 R37 | F35-L56 HydrophobicContact CB-CD1 3.86Å; F35-L56 PolarHBondContact O-N 3.27Å; R37-L56 HydrophobicContact CB-CD2 3.97Å |
| 57 | Q | 90.6 | Very high | 94.8 | Very high | 157 Ų | 157 | 51.7 Ų | 51.7 | 73% | 0.734 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -49.1 | -174.3 | -71.1 | 174.6 | -13.7 | 0 | 0 | 113.1 | K55 | K55-Q57 VanDerWaalsContact C-N 3.34Š|
| 58 | D | 91 | Very high | 95 | Very high | 73 Ų | 73 | 53 Ų | 53 | 39% | 0.39 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 3.2 | -171.4 | 61 | -8 | 0 | 0 | 0 | 112.9 | K55 Q60 | K55-D58 WeakPolarHBondContact CB-OD1 3.35Å; K55-D58 WeakPolarHBondContact CD-OD1 3.19Å; D58-Q60 VanDerWaalsContact CG-CB 3.49Å; D58-Q60 PolarHBondContact O-N 2.85Å; D58-Q60 VanDerWaalsContact O-N 3.1Å; D58-Q60 WeakPolarHBondContact OD1-CB 3.21Å; D58-Q60 PolarHBondContact OD1-N 3.14Å; D58-Q60 VanDerWaalsContact OD1-N 3.14Å; D58-Q60 WeakPolarHBondContact OD2-CB 3.48Å |
| 59 | Q | 93.3 | Very high | 94.9 | Very high | 163 Ų | 163 | 53.8 Ų | 53.8 | 76% | 0.762 | 28% | 0.277 | S | S | * | . | trans | 54.4 | 25.1 | -174.4 | -62.1 | -176.2 | 73.9 | 0 | 0 | 113.7 | V54 K55 | V54-Q59 VanDerWaalsContact CG1-C 3.41Å; V54-Q59 HydrophobicContact CG1-CB 4.22Å; V54-Q59 VanDerWaalsContact CG1-O 3.27Å; V54-Q59 WeakPolarHBondContact CG1-O 3.27Å; K55-Q59 WeakPolarHBondContact O-CA 3.41Å; K55-Q59 PolarHBondContact O-N 2.85Å; K55-Q59 VanDerWaalsContact O-N 3.15Å | ||
| 60 | Q | 93.5 | Very high | 94.6 | Very high | 75 Ų | 75 | 56.4 Ų | 56.4 | 35% | 0.35 | 31% | 0.305 | S | S | . | . | trans | -78.9 | 135.2 | 179.6 | -170 | -172.8 | 68 | 0 | 0 | 111.1 | V54 K55 D58 V62 | V54-Q60 CarbonylContact C-O 3.44Å; V54-Q60 WeakPolarHBondContact CA-O 2.96Å; K55-Q60 PolarHBondContact N-O 3.15Å; D58-Q60 VanDerWaalsContact CG-CB 3.49Å; D58-Q60 PolarHBondContact O-N 2.85Å; D58-Q60 VanDerWaalsContact O-N 3.1Å; D58-Q60 WeakPolarHBondContact OD1-CB 3.21Å; D58-Q60 PolarHBondContact OD1-N 3.14Å; D58-Q60 VanDerWaalsContact OD1-N 3.14Å; D58-Q60 WeakPolarHBondContact OD2-CB 3.48Å; Q60-V62 PolarHBondContact O-N 2.77Å | ||
| 61 | V | 94.8 | Very high | 94.5 | Very high | 76 Ų | 76 | 53.9 Ų | 53.9 | 46% | 0.461 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 119.2 | 169.2 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | K29 V52 G53 V54 N64 | K29-V61 PolarHBondContact NZ-O 2.83Å; V52-V61 HydrophobicContact CG1-CG1 4.38Å; G53-V61 WeakPolarHBondContact O-CA 3.23Å; V54-V61 HydrophobicContact CG2-CG2 4.3Å; V61-N64 HydrophobicContact CG1-CB 4.24Å |
| 62 | V | 94.6 | Very high | 94.4 | Very high | 10 Ų | 10 | 62 Ų | 62 | 6% | 0.061 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -24.7 | 179.3 | -70.1 | 0 | 0 | 0 | 0 | 113 | V15 I28 S36 G53 K55 Q60 | V15-V62 HydrophobicContact CB-CG2 4.45Å; V15-V62 HydrophobicContact CG2-CG2 3.9Å; I28-V62 VanDerWaalsContact CD1-O 3.27Å; I28-V62 WeakPolarHBondContact CD1-O 3.48Å; I28-V62 HydrophobicContact CG2-CB 3.96Å; S36-V62 WeakPolarHBondContact OG-CG2 3.36Å; G53-V62 VanDerWaalsContact O-CG2 3.27Å; G53-V62 WeakPolarHBondContact O-CG2 3.4Å; G53-V62 PolarHBondContact O-N 3.38Å; K55-V62 HydrophobicContact CB-CG1 4.44Å; K55-V62 HydrophobicContact CD-CG1 3.5Å; K55-V62 HydrophobicContact CG-CG1 3.6Å; Q60-V62 PolarHBondContact O-N 2.77Å |
| 63 | I | 95.4 | Very high | 94.3 | Very high | 9 Ų | 9 | 62.9 Ų | 62.9 | 5% | 0.046 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 135.9 | 173.8 | -172.9 | 168.7 | 0 | 0 | 0 | 109.2 | V15 I28 V52 G53 W83 Y90 | V15-I63 HydrophobicContact CG1-CB 4.18Å; V15-I63 HydrophobicContact CG1-CD1 4.11Å; V15-I63 HydrophobicContact CG1-CG2 4.19Å; V15-I63 HydrophobicContact CG2-CG2 4.02Å; I28-I63 HydrophobicContact CD1-CB 4.29Å; V52-I63 WeakPolarHBondContact CA-O 3.41Å; G53-I63 VanDerWaalsContact N-CG2 3.35Å; G53-I63 PolarHBondContact N-O 2.85Å; G53-I63 PolarHBondContact O-N 3.48Å; I63-W83 HydrophobicContact CD1-CZ2 3.96Å; I63-Y90 HydrophobicContact CD1-CD1 3.79Å; I63-Y90 HydrophobicContact CD1-CE1 4.13Å; I63-Y90 HydrophobicContact CD1-CG 4.36Å |
| 64 | N | 96.2 | Very high | 94.4 | Very high | 99 Ų | 99 | 66.9 Ų | 66.9 | 53% | 0.529 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 90.1 | 169.2 | -176.1 | 1.2 | 0 | 0 | 0 | 106.8 | V51 V61 | V51-N64 WeakPolarHBondContact O-CA 3.25Å; V61-N64 HydrophobicContact CG1-CB 4.24Å |
| 65 | Y | 96.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 69.7 Ų | 69.7 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 120.5 | -171.9 | -179.9 | -100.8 | 0 | 0 | 0 | 110.4 | R50 V51 I67 L71 W83 D85 Y90 | R50-Y65 CarbonylContact C-O 3.58Å; R50-Y65 VanDerWaalsContact CA-O 3.23Å; R50-Y65 WeakPolarHBondContact CA-O 2.96Å; V51-Y65 PolarHBondContact N-O 2.91Å; V51-Y65 PolarHBondContact O-N 2.9Å; Y65-I67 HydrophobicContact CD1-CG1 4.47Å; Y65-I67 PolarHBondContact O-N 3.23Å; Y65-L71 HydrophobicContact CE1-CD1 3.75Å; Y65-L71 WeakPolarHBondContact OH-CD1 3.34Å; Y65-W83 AromaticContact CD1-NE1 3.69Å; Y65-W83 AromaticContact CE1-NE1 3.6Å; Y65-W83 AromaticContact CZ-NE1 3.95Å; Y65-D85 HydrophobicContact CE2-CB 4.26Å; Y65-Y90 HydrophobicContact CD2-CE2 4.06Å; Y65-Y90 HydrophobicContact CE2-CE2 4.16Å |
| 66 | S | 96 | Very high | 94.5 | Very high | 79 Ų | 79 | 71.6 Ų | 71.6 | 55% | 0.552 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 119.7 | 172 | -60.5 | 0 | 0 | 0 | 0 | 109.5 | V68 | S66-V68 PolarHBondContact O-N 2.75Å |
| 67 | I | 95.3 | Very high | 94.7 | Very high | 7 Ų | 7 | 71 Ų | 71 | 4% | 0.036 | 38% | 0.382 | C | S | . | . | trans | -68.8 | 128.3 | 176.8 | -59 | 176.2 | 0 | 0 | 0 | 107.4 | I40 F49 V51 Y65 L71 M107 A110 L111 M114 | I40-I67 HydrophobicContact CG2-CD1 4.18Å; F49-I67 HydrophobicContact CB-CB 4.21Å; F49-I67 HydrophobicContact CB-CD1 3.83Å; F49-I67 HydrophobicContact CB-CG1 4.36Å; F49-I67 PolarHBondContact O-N 2.81Å; V51-I67 HydrophobicContact CG2-CD1 3.81Å; V51-I67 HydrophobicContact CG2-CG1 3.88Å; Y65-I67 HydrophobicContact CD1-CG1 4.47Å; Y65-I67 PolarHBondContact O-N 3.23Å; I67-L71 HydrophobicContact CG2-CD2 4.43Å; I67-M107 HydrophobicContact CD1-CE 3.75Å; I67-M107 HydrophobicContact CD1-SD 3.55Å; I67-M107 VanDerWaalsContact CD1-SD 3.55Å; I67-M107 HydrophobicContact CG1-CE 3.95Å; I67-M107 HydrophobicContact CG1-SD 4.37Å; I67-M107 HydrophobicContact CG2-CE 4.15Å; I67-A110 HydrophobicContact CD1-CB 4.38Å; I67-L111 HydrophobicContact CG2-CD2 3.61Å; I67-M114 HydrophobicContact CB-SD 4.12Å; I67-M114 HydrophobicContact CG2-CE 4.42Å; I67-M114 HydrophobicContact CG2-SD 3.69Å; I67-M114 WeakPolarHBondContact O-CE 3.39Å | ||
| 68 | V | 94.1 | Very high | 95.1 | Very high | 70 Ų | 70 | 67.6 Ų | 67.6 | 42% | 0.424 | 37% | 0.374 | S | S | . | . | trans | -104.9 | 154.3 | 177.9 | -64 | 0 | 0 | 0 | 0 | 111.1 | S66 L71 | S66-V68 PolarHBondContact O-N 2.75Å; V68-L71 HydrophobicContact CG2-CB 4.3Å; V68-L71 HydrophobicContact CG2-CD1 4.23Å; V68-L71 WeakPolarHBondContact O-CB 3.33Å; V68-L71 PolarHBondContact O-N 2.97Å | ||
| 69 | K | 91.8 | Very high | 95.4 | Very high | 87 Ų | 87 | 66.4 Ų | 66.4 | 38% | 0.378 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 143.1 | 172.8 | -63 | -168.8 | -173.2 | -163.8 | 0 | 109.8 | L71 M114 E118 | K69-L71 PolarHBondContact O-N 2.9Å; K69-M114 WeakPolarHBondContact CD-O 3.43Å; K69-M114 WeakPolarHBondContact CE-O 3.34Å; K69-M114 HydrophobicContact CG-CB 4.19Å; K69-M114 HydrophobicContact CG-CE 4.13Å; K69-M114 PolarHBondContact NZ-O 2.79Å; K69-E118 IonicContact NZ-OE2 2.72Å; K69-E118 PolarHBondContact NZ-OE2 3.03Å |
| 70 | G | 90.3 | Very high | 95.7 | Very high | 59 Ų | 59 | 60.1 Ų | 60.1 | 61% | 0.608 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 10.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | K72 | G70-K72 PolarHBondContact O-N 3.42Š|
| 71 | L | 94.6 | Very high | 95.9 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | trans | -54.7 | 129.3 | 170.2 | -176.5 | 97.5 | 0 | 0 | 0 | 110.2 | Y65 I67 V68 K69 Y73 W83 M107 L111 | Y65-L71 HydrophobicContact CE1-CD1 3.75Å; Y65-L71 WeakPolarHBondContact OH-CD1 3.34Å; I67-L71 HydrophobicContact CG2-CD2 4.43Å; V68-L71 HydrophobicContact CG2-CB 4.3Å; V68-L71 HydrophobicContact CG2-CD1 4.23Å; V68-L71 WeakPolarHBondContact O-CB 3.33Å; V68-L71 PolarHBondContact O-N 2.97Å; K69-L71 PolarHBondContact O-N 2.9Å; L71-Y73 PolarHBondContact O-N 2.79Å; L71-W83 HydrophobicContact CD1-CB 4.24Å; L71-W83 HydrophobicContact CD1-CG 4.22Å; L71-W83 HydrophobicContact CD2-CB 3.97Å; L71-W83 HydrophobicContact CD2-CG 4.13Å; L71-W83 HydrophobicContact CG-CB 4.14Å; L71-W83 HydrophobicContact CG-CG 4.5Å; L71-M107 HydrophobicContact CD2-CE 3.08Å; L71-L111 HydrophobicContact CB-CD2 3.78Å; L71-L111 HydrophobicContact CD2-CD2 4.27Å | ||
| 72 | K | 94.5 | Very high | 96 | Very high | 171 Ų | 171 | 55.3 Ų | 55.3 | 74% | 0.743 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 100.3 | 175.9 | -65.2 | -173.4 | 177.8 | -178.7 | 0 | 110.2 | G70 W83 | G70-K72 PolarHBondContact O-N 3.42Å; K72-W83 WeakPolarHBondContact O-CA 3.33Å; K72-W83 WeakPolarHBondContact O-CB 3.4Å |
| 73 | Y | 97.3 | Very high | 96.2 | Very high | 32 Ų | 32 | 54.9 Ų | 54.9 | 13% | 0.125 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 130.1 | 171.8 | -175.9 | -107.1 | 0 | 0 | 0 | 110.8 | L71 Q75 H81 W83 F103 S104 M107 L108 | L71-Y73 PolarHBondContact O-N 2.79Å; Y73-Q75 HydrophobicContact CD1-CG 4.27Å; Y73-Q75 HydrophobicContact CE1-CG 3.56Å; Y73-H81 HydrophobicContact CE2-CB 3.93Å; Y73-H81 AromaticContact CZ-CG 3.99Å; Y73-H81 AromaticContact CZ-ND1 3.79Å; Y73-H81 WeakPolarHBondContact OH-CB 3.45Å; Y73-H81 VanDerWaalsContact OH-CG 3.27Å; Y73-H81 PolarHBondContact OH-ND1 3.48Å; Y73-W83 HydrophobicContact CD2-CE3 4.23Å; Y73-W83 HydrophobicContact CE2-CE3 4.27Å; Y73-F103 HydrophobicContact CE2-CD1 4.48Å; Y73-F103 HydrophobicContact CE2-CE1 4.12Å; Y73-S104 WeakPolarHBondContact OH-CA 3.39Å; Y73-S104 WeakPolarHBondContact OH-CB 3.45Å; Y73-M107 HydrophobicContact CD1-CG 4.49Å; Y73-M107 HydrophobicContact CD2-CE 4.47Å; Y73-M107 HydrophobicContact CD2-CG 3.74Å; Y73-M107 HydrophobicContact CE2-CB 4.38Å; Y73-M107 HydrophobicContact CE2-CG 3.91Å; Y73-M107 HydrophobicContact CG-CG 4.02Å; Y73-L108 HydrophobicContact CD1-CD2 4.27Å |
| 74 | N | 97.7 | Very high | 96.2 | Very high | 84 Ų | 84 | 60.8 Ų | 60.8 | 45% | 0.449 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 126.5 | -179.5 | -178.7 | 23.1 | 0 | 0 | 0 | 111.1 | A76 H81 Q82 | N74-A76 PolarHBondContact O-N 3.26Å; N74-H81 CarbonylContact O-C 3.56Å; N74-H81 WeakPolarHBondContact O-CA 3.43Å; N74-Q82 HydrophobicContact CB-CG 3.96Å; N74-Q82 PolarHBondContact N-O 3.33Å; N74-Q82 PolarHBondContact O-N 3.36Å |
| 75 | Q | 97.8 | Very high | 95.9 | Very high | 96 Ų | 96 | 59 Ų | 59 | 45% | 0.449 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 82.6 | 174.7 | -62.5 | 178.5 | 82.5 | 0 | 0 | 108.7 | Y73 T77 S104 | Y73-Q75 HydrophobicContact CD1-CG 4.27Å; Y73-Q75 HydrophobicContact CE1-CG 3.56Å; Q75-T77 VanDerWaalsContact C-N 3.35Å; Q75-T77 PolarHBondContact O-N 3.28Å; Q75-S104 PolarHBondContact OE1-OG 2.89Å |
| 76 | A | 96.7 | Very high | 95.3 | Very high | 49 Ų | 49 | 62.3 Ų | 62.3 | 41% | 0.405 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | -37.4 | -174 | 0 | 0 | 0 | 0 | 0 | 112.5 | N74 F80 | N74-A76 PolarHBondContact O-N 3.26Å; A76-F80 HydrophobicContact CB-CD1 3.97Å; A76-F80 PolarHBondContact N-O 3Å |
| 77 | T | 97.6 | Very high | 94.9 | Very high | 64 Ų | 64 | 69 Ų | 69 | 39% | 0.393 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 169 | 168.3 | 82.2 | 0 | 0 | 0 | 0 | 109.5 | Q75 T79 F80 H81 | Q75-T77 VanDerWaalsContact C-N 3.35Å; Q75-T77 PolarHBondContact O-N 3.28Å; T77-T79 PolarHBondContact O-N 3.17Å; T77-T79 PolarHBondContact OG1-N 3.28Å; T77-F80 HydrophobicContact CG2-CB 4.24Å; T77-F80 PolarHBondContact N-O 3.28Å; T77-F80 PolarHBondContact O-N 3.27Å; T77-F80 WeakPolarHBondContact OG1-CB 3.27Å; T77-F80 PolarHBondContact OG1-N 3.18Å; T77-H81 PolarHBondContact O-CD2 2.86Å; T77-H81 VanDerWaalsContact O-CD2 3.27Å; T77-H81 PolarHBondContact O-NE2 2.87Å |
| 78 | P | 97.8 | Very high | 94.8 | Very high | 86 Ų | 86 | 71.7 Ų | 71.7 | 56% | 0.558 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.1 | 177.7 | -25.6 | 35.5 | 0 | 0 | 0 | 115.5 | K97 A100 | P78-K97 HydrophobicContact CB-CD 4.33Å; P78-K97 HydrophobicContact CB-CG 4.17Å; P78-A100 WeakPolarHBondContact O-CB 3.23Å |
| 79 | T | 97.9 | Very high | 94.9 | Very high | 49 Ų | 49 | 69 Ų | 69 | 30% | 0.301 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | 0.6 | 178.6 | 57.1 | 0 | 0 | 0 | 0 | 112.7 | T77 N93 F94 K97 | T77-T79 PolarHBondContact O-N 3.17Å; T77-T79 PolarHBondContact OG1-N 3.28Å; T79-N93 CarbonylContact O-C 3.56Å; T79-F94 WeakPolarHBondContact O-CD2 3.36Å; T79-F94 PolarHBondContact O-N 2.84Å; T79-K97 HydrophobicContact CG2-CB 4.29Å |
| 80 | F | 98.3 | Very high | 95.2 | Very high | 30 Ų | 30 | 67 Ų | 67 | 13% | 0.132 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 108.5 | -179.7 | -172.4 | -106.7 | 0 | 0 | 0 | 110.5 | W25 A76 T77 L92 N93 | W25-F80 HydrophobicContact CD2-CE1 4.43Å; W25-F80 AromaticContact CD2-CZ 3.73Å; W25-F80 HydrophobicContact CD2-CZ 3.73Å; W25-F80 AromaticContact CE2-CE1 3.78Å; W25-F80 AromaticContact CE2-CZ 3.54Å; W25-F80 AromaticContact CE3-CZ 3.98Å; W25-F80 HydrophobicContact CE3-CZ 3.98Å; W25-F80 HydrophobicContact CG-CZ 4.37Å; W25-F80 HydrophobicContact CH2-CE1 4.19Å; W25-F80 AromaticContact CH2-CZ 3.83Å; W25-F80 HydrophobicContact CH2-CZ 3.83Å; W25-F80 AromaticContact CZ2-CE1 3.66Å; W25-F80 HydrophobicContact CZ2-CE1 3.66Å; W25-F80 AromaticContact CZ2-CZ 3.61Å; W25-F80 HydrophobicContact CZ2-CZ 3.61Å; W25-F80 HydrophobicContact CZ3-CZ 4.02Å; A76-F80 HydrophobicContact CB-CD1 3.97Å; A76-F80 PolarHBondContact N-O 3Å; T77-F80 HydrophobicContact CG2-CB 4.24Å; T77-F80 PolarHBondContact N-O 3.28Å; T77-F80 PolarHBondContact O-N 3.27Å; T77-F80 WeakPolarHBondContact OG1-CB 3.27Å; T77-F80 PolarHBondContact OG1-N 3.18Å; F80-L92 WeakPolarHBondContact CA-O 3.36Å; F80-L92 WeakPolarHBondContact CD2-O 3.46Å; F80-N93 HydrophobicContact CD2-CB 3.92Å; F80-N93 HydrophobicContact CE2-CB 4.38Å |
| 81 | H | 98.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.009 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 149.5 | 179.3 | -52.2 | 162 | 0 | 0 | 0 | 110.2 | Y73 N74 T77 G91 L92 F94 A100 | Y73-H81 HydrophobicContact CE2-CB 3.93Å; Y73-H81 AromaticContact CZ-CG 3.99Å; Y73-H81 AromaticContact CZ-ND1 3.79Å; Y73-H81 WeakPolarHBondContact OH-CB 3.45Å; Y73-H81 VanDerWaalsContact OH-CG 3.27Å; Y73-H81 PolarHBondContact OH-ND1 3.48Å; N74-H81 CarbonylContact O-C 3.56Å; N74-H81 WeakPolarHBondContact O-CA 3.43Å; T77-H81 PolarHBondContact O-CD2 2.86Å; T77-H81 VanDerWaalsContact O-CD2 3.27Å; T77-H81 PolarHBondContact O-NE2 2.87Å; H81-G91 CarbonylContact O-C 3.45Å; H81-G91 WeakPolarHBondContact O-CA 3.28Å; H81-L92 PolarHBondContact N-O 3.38Å; H81-L92 PolarHBondContact O-N 3.3Å; H81-F94 HydrophobicContact CB-CE2 3.88Å; H81-F94 AromaticContact CG-CE2 3.64Å; H81-F94 AromaticContact ND1-CD2 4Å; H81-F94 AromaticContact ND1-CE2 3.31Å; H81-F94 VanDerWaalsContact ND1-CE2 3.31Å; H81-F94 WeakPolarHBondContact ND1-CE2 3.29Å; H81-A100 PolarHBondContact CE1-O 3.38Å; H81-A100 VanDerWaalsContact CE1-O 3.23Å |
| 82 | Q | 97.7 | Very high | 95.7 | Very high | 48 Ų | 48 | 63.5 Ų | 63.5 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 156.7 | -175.6 | 65.8 | -179 | 52.3 | 0 | 0 | 111.7 | W25 N74 Y90 | W25-Q82 HydrophobicContact CH2-CB 4Å; W25-Q82 HydrophobicContact CZ2-CB 4.5Å; W25-Q82 VanDerWaalsContact CZ2-OE1 3.25Å; N74-Q82 HydrophobicContact CB-CG 3.96Å; N74-Q82 PolarHBondContact N-O 3.33Å; N74-Q82 PolarHBondContact O-N 3.36Å; Q82-Y90 CarbonylContact C-O 3.54Å; Q82-Y90 WeakPolarHBondContact CA-O 3.41Å; Q82-Y90 WeakPolarHBondContact CB-O 3.47Å |
| 83 | W | 97.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.008 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 155.2 | 168.6 | 59.6 | 91 | 0 | 0 | 0 | 110.2 | V51 I63 Y65 L71 K72 Y73 V89 Y90 L92 F103 | V51-W83 HydrophobicContact CG1-CH2 4.49Å; I63-W83 HydrophobicContact CD1-CZ2 3.96Å; Y65-W83 AromaticContact CD1-NE1 3.69Å; Y65-W83 AromaticContact CE1-NE1 3.6Å; Y65-W83 AromaticContact CZ-NE1 3.95Å; L71-W83 HydrophobicContact CD1-CB 4.24Å; L71-W83 HydrophobicContact CD1-CG 4.22Å; L71-W83 HydrophobicContact CD2-CB 3.97Å; L71-W83 HydrophobicContact CD2-CG 4.13Å; L71-W83 HydrophobicContact CG-CB 4.14Å; L71-W83 HydrophobicContact CG-CG 4.5Å; K72-W83 WeakPolarHBondContact O-CA 3.33Å; K72-W83 WeakPolarHBondContact O-CB 3.4Å; Y73-W83 HydrophobicContact CD2-CE3 4.23Å; Y73-W83 HydrophobicContact CE2-CE3 4.27Å; W83-V89 WeakPolarHBondContact O-CG1 3.46Å; W83-Y90 AromaticContact CD1-CD2 3.9Å; W83-Y90 HydrophobicContact CZ2-CG 4.25Å; W83-Y90 PolarHBondContact N-O 2.69Å; W83-Y90 AromaticContact NE1-CD2 3.41Å; W83-Y90 AromaticContact NE1-CG 3.76Å; W83-Y90 PolarHBondContact O-N 3.26Å; W83-L92 HydrophobicContact CH2-CD1 3.63Å; W83-L92 HydrophobicContact CH2-CD2 4.22Å; W83-L92 HydrophobicContact CH2-CG 3.67Å; W83-L92 HydrophobicContact CZ3-CD1 3.61Å; W83-L92 HydrophobicContact CZ3-CG 3.68Å; W83-F103 HydrophobicContact CZ3-CE1 4.39Å |
| 84 | R | 95.4 | Very high | 95.9 | Very high | 132 Ų | 132 | 57.6 Ų | 57.6 | 50% | 0.498 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 133.4 | 178.1 | 179 | 170.6 | -105.4 | -84.7 | 2 | 109.9 | V89 | R84-V89 HydrophobicContact CB-CG2 4.42Å; R84-V89 HydrophobicContact CG-CG2 4.23Å |
| 85 | D | 91.3 | Very high | 95.9 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 33% | 0.326 | 29% | 0.293 | S | S | . | . | trans | -107.9 | 179.5 | 166.2 | -168.9 | 20.5 | 0 | 0 | 0 | 109.9 | Y65 R87 Q88 Y90 | Y65-D85 HydrophobicContact CE2-CB 4.26Å; D85-R87 PolarHBondContact O-N 2.94Å; D85-Q88 PolarHBondContact N-O 3.11Å; D85-Y90 HydrophobicContact CB-CE2 4.12Å | ||
| 86 | A | 84.2 | Confident | 95.9 | Very high | 87 Ų | 87 | 52.4 Ų | 52.4 | 72% | 0.719 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -47.9 | -37.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 87 | R | 86.8 | Confident | 96 | Very high | 219 Ų | 219 | 55.8 Ų | 55.8 | 83% | 0.826 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -135.3 | -12.7 | 178.3 | -62.5 | -174.3 | -177.6 | -164.9 | 0.3 | 114.9 | D85 | D85-R87 PolarHBondContact O-N 2.94Š|
| 88 | Q | 93.5 | Very high | 96 | Very high | 63 Ų | 63 | 58.6 Ų | 58.6 | 29% | 0.294 | 30% | 0.296 | S | S | . | . | trans | -116.4 | 136.9 | -173.9 | -168.5 | 59 | 67.2 | 0 | 0 | 110 | V17 Y18 D85 Y90 | V17-Q88 HydrophobicContact CG1-CG 4.31Å; Y18-Q88 PolarHBondContact O-NE2 3.39Å; D85-Q88 PolarHBondContact N-O 3.11Å; Q88-Y90 HydrophobicContact CB-CE2 3.93Å; Q88-Y90 HydrophobicContact CG-CD1 4.36Å; Q88-Y90 HydrophobicContact CG-CD2 4.3Å; Q88-Y90 HydrophobicContact CG-CE1 3.93Å; Q88-Y90 HydrophobicContact CG-CE2 3.88Å | ||
| 89 | V | 96.6 | Very high | 96 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 123.2 | 165.7 | -168.4 | 0 | 0 | 0 | 0 | 107.7 | V17 Y18 W25 W83 R84 | V17-V89 WeakPolarHBondContact CA-O 3.14Å; Y18-V89 PolarHBondContact N-O 2.9Å; W25-V89 HydrophobicContact CH2-CB 4.5Å; W25-V89 HydrophobicContact CH2-CG1 3.8Å; W83-V89 WeakPolarHBondContact O-CG1 3.46Å; R84-V89 HydrophobicContact CB-CG2 4.42Å; R84-V89 HydrophobicContact CG-CG2 4.23Å |
| 90 | Y | 97.4 | Very high | 96 | Very high | 45 Ų | 45 | 53.8 Ų | 53.8 | 18% | 0.176 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 144.3 | 176.3 | -65.1 | -81.2 | 0 | 0 | 0 | 109.6 | V17 I28 I63 Y65 Q82 W83 D85 Q88 | V17-Y90 HydrophobicContact CG1-CD1 3.92Å; V17-Y90 HydrophobicContact CG1-CE1 4.08Å; I28-Y90 HydrophobicContact CD1-CD1 4.48Å; I28-Y90 HydrophobicContact CD1-CE1 4.19Å; I63-Y90 HydrophobicContact CD1-CD1 3.79Å; I63-Y90 HydrophobicContact CD1-CE1 4.13Å; I63-Y90 HydrophobicContact CD1-CG 4.36Å; Y65-Y90 HydrophobicContact CD2-CE2 4.06Å; Y65-Y90 HydrophobicContact CE2-CE2 4.16Å; Q82-Y90 CarbonylContact C-O 3.54Å; Q82-Y90 WeakPolarHBondContact CA-O 3.41Å; Q82-Y90 WeakPolarHBondContact CB-O 3.47Å; W83-Y90 AromaticContact CD1-CD2 3.9Å; W83-Y90 HydrophobicContact CZ2-CG 4.25Å; W83-Y90 PolarHBondContact N-O 2.69Å; W83-Y90 AromaticContact NE1-CD2 3.41Å; W83-Y90 AromaticContact NE1-CG 3.76Å; W83-Y90 PolarHBondContact O-N 3.26Å; D85-Y90 HydrophobicContact CB-CE2 4.12Å; Q88-Y90 HydrophobicContact CB-CE2 3.93Å; Q88-Y90 HydrophobicContact CG-CD1 4.36Å; Q88-Y90 HydrophobicContact CG-CD2 4.3Å; Q88-Y90 HydrophobicContact CG-CE1 3.93Å; Q88-Y90 HydrophobicContact CG-CE2 3.88Å |
| 91 | G | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 143.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | M16 H81 | M16-G91 PolarHBondContact N-O 2.78Å; M16-G91 PolarHBondContact O-N 3.31Å; H81-G91 CarbonylContact O-C 3.45Å; H81-G91 WeakPolarHBondContact O-CA 3.28Å |
| 92 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120.4 | 172.5 | -65.1 | -177.6 | 0 | 0 | 0 | 108.4 | A13 V15 I38 F80 H81 W83 F94 F103 | A13-L92 HydrophobicContact CB-CB 4.05Å; A13-L92 HydrophobicContact CB-CD2 4.37Å; V15-L92 HydrophobicContact CB-CD2 4.3Å; V15-L92 HydrophobicContact CG1-CD2 4.25Å; V15-L92 HydrophobicContact CG2-CD2 3.83Å; I38-L92 HydrophobicContact CD1-CD2 4.27Å; I38-L92 HydrophobicContact CG1-CD2 4.35Å; I38-L92 HydrophobicContact CG2-CD1 4.21Å; F80-L92 WeakPolarHBondContact CA-O 3.36Å; F80-L92 WeakPolarHBondContact CD2-O 3.46Å; H81-L92 PolarHBondContact N-O 3.38Å; H81-L92 PolarHBondContact O-N 3.3Å; W83-L92 HydrophobicContact CH2-CD1 3.63Å; W83-L92 HydrophobicContact CH2-CD2 4.22Å; W83-L92 HydrophobicContact CH2-CG 3.67Å; W83-L92 HydrophobicContact CZ3-CD1 3.61Å; W83-L92 HydrophobicContact CZ3-CG 3.68Å; L92-F94 HydrophobicContact CB-CD2 4.39Å; L92-F94 HydrophobicContact CB-CE1 4.47Å; L92-F94 HydrophobicContact CB-CE2 3.71Å; L92-F94 HydrophobicContact CB-CZ 3.76Å; L92-F94 HydrophobicContact CD1-CE1 4.28Å; L92-F94 HydrophobicContact CD1-CE2 4.44Å; L92-F94 HydrophobicContact CD1-CZ 3.7Å; L92-F94 HydrophobicContact CG-CZ 4.41Å; L92-F103 HydrophobicContact CD1-CD1 4.32Å; L92-F103 HydrophobicContact CD1-CE1 3.69Å; L92-F103 HydrophobicContact CD1-CE2 4.07Å; L92-F103 HydrophobicContact CD1-CZ 3.55Å |
| 93 | N | 97.7 | Very high | 96 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 99.6 | 171.2 | -171.8 | 4.2 | 0 | 0 | 0 | 109.2 | A13 S14 T79 F80 | A13-N93 CarbonylContact C-O 3.57Å; A13-N93 WeakPolarHBondContact CA-O 3.34Å; A13-N93 WeakPolarHBondContact CB-O 3.18Å; S14-N93 PolarHBondContact N-O 3.34Å; S14-N93 PolarHBondContact O-N 3.28Å; T79-N93 CarbonylContact O-C 3.56Å; F80-N93 HydrophobicContact CD2-CB 3.92Å; F80-N93 HydrophobicContact CE2-CB 4.38Å |
| 94 | F | 98.5 | Very high | 96 | Very high | 6 Ų | 6 | 56.4 Ų | 56.4 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 149.5 | -173.9 | -67 | -83.6 | 0 | 0 | 0 | 112.3 | A11 R12 A13 T79 H81 L92 S96 E99 A100 F103 | A11-F94 HydrophobicContact CB-CD1 4.05Å; A11-F94 HydrophobicContact CB-CE1 3.9Å; R12-F94 WeakPolarHBondContact O-CA 3.4Å; A13-F94 HydrophobicContact CB-CD1 3.81Å; A13-F94 HydrophobicContact CB-CE1 4.08Å; A13-F94 HydrophobicContact CB-CG 4.19Å; T79-F94 WeakPolarHBondContact O-CD2 3.36Å; T79-F94 PolarHBondContact O-N 2.84Å; H81-F94 HydrophobicContact CB-CE2 3.88Å; H81-F94 AromaticContact CG-CE2 3.64Å; H81-F94 AromaticContact ND1-CD2 4Å; H81-F94 AromaticContact ND1-CE2 3.31Å; H81-F94 VanDerWaalsContact ND1-CE2 3.31Å; H81-F94 WeakPolarHBondContact ND1-CE2 3.29Å; L92-F94 HydrophobicContact CB-CD2 4.39Å; L92-F94 HydrophobicContact CB-CE1 4.47Å; L92-F94 HydrophobicContact CB-CE2 3.71Å; L92-F94 HydrophobicContact CB-CZ 3.76Å; L92-F94 HydrophobicContact CD1-CE1 4.28Å; L92-F94 HydrophobicContact CD1-CE2 4.44Å; L92-F94 HydrophobicContact CD1-CZ 3.7Å; L92-F94 HydrophobicContact CG-CZ 4.41Å; F94-S96 VanDerWaalsContact C-N 3.29Å; F94-S96 WeakPolarHBondContact CB-O 3.36Å; F94-E99 HydrophobicContact CD1-CB 4.42Å; F94-A100 HydrophobicContact CB-CB 3.81Å; F94-A100 HydrophobicContact CD1-CB 4.31Å; F94-A100 HydrophobicContact CD2-CB 3.49Å; F94-A100 VanDerWaalsContact CD2-CB 3.49Å; F94-A100 HydrophobicContact CE2-CB 4.17Å; F94-A100 HydrophobicContact CG-CB 3.59Å; F94-F103 HydrophobicContact CE1-CB 3.56Å; F94-F103 HydrophobicContact CE1-CD1 4.07Å; F94-F103 HydrophobicContact CE1-CD2 4.13Å; F94-F103 AromaticContact CE1-CG 3.64Å; F94-F103 HydrophobicContact CE1-CG 3.64Å; F94-F103 HydrophobicContact CE2-CD1 4.42Å; F94-F103 HydrophobicContact CZ-CB 3.7Å; F94-F103 AromaticContact CZ-CD1 3.44Å; F94-F103 HydrophobicContact CZ-CD1 3.44Å; F94-F103 VanDerWaalsContact CZ-CD1 3.44Å; F94-F103 HydrophobicContact CZ-CD2 4.28Å; F94-F103 HydrophobicContact CZ-CE1 4.11Å; F94-F103 AromaticContact CZ-CG 3.52Å; F94-F103 HydrophobicContact CZ-CG 3.52Å |
| 95 | A | 97.8 | Very high | 96.2 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 34% | 0.339 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -72.6 | -25.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R12 F35 E99 | R12-A95 HydrophobicContact CB-CB 4.07Å; R12-A95 PolarHBondContact O-N 2.87Å; F35-A95 HydrophobicContact CD1-CB 3.98Å; F35-A95 HydrophobicContact CE1-CB 3.53Å; F35-A95 HydrophobicContact CZ-CB 3.87Å; A95-E99 VanDerWaalsContact CB-OE2 3.23Å; A95-E99 WeakPolarHBondContact CB-OE2 3.38Å; A95-E99 PolarHBondContact N-OE2 2.83Å |
| 96 | S | 98 | Very high | 96.5 | Very high | 30 Ų | 30 | 52.6 Ų | 52.6 | 21% | 0.21 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -145.4 | 165 | 171.8 | 93.4 | 0 | 0 | 0 | 0 | 113.3 | F94 E98 E99 A100 | F94-S96 VanDerWaalsContact C-N 3.29Å; F94-S96 WeakPolarHBondContact CB-O 3.36Å; S96-E98 VanDerWaalsContact C-N 3.3Å; S96-E98 WeakPolarHBondContact CB-OE2 3.05Å; S96-E98 PolarHBondContact OG-N 3.3Å; S96-E98 PolarHBondContact OG-OE2 3.46Å; S96-E99 PolarHBondContact N-OE2 3.26Å; S96-E99 PolarHBondContact OG-N 3.08Å; S96-A100 PolarHBondContact O-N 3.37Å; S96-A100 VanDerWaalsContact O-N 3.11Å |
| 97 | K | 98 | Very high | 97.1 | Very high | 121 Ų | 121 | 48.5 Ų | 48.5 | 53% | 0.526 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.2 | -34.8 | 176.2 | 179.4 | -175.5 | 173 | -171.1 | 0 | 111.5 | P78 T79 A100 T101 | P78-K97 HydrophobicContact CB-CD 4.33Å; P78-K97 HydrophobicContact CB-CG 4.17Å; T79-K97 HydrophobicContact CG2-CB 4.29Å; K97-A100 WeakPolarHBondContact O-CB 3.45Å; K97-A100 PolarHBondContact O-N 3.3Å; K97-T101 WeakPolarHBondContact O-CB 3.4Å; K97-T101 PolarHBondContact O-N 3.41Å; K97-T101 PolarHBondContact O-OG1 2.92Å |
| 98 | E | 98.1 | Very high | 97.5 | Very high | 123 Ų | 123 | 42 Ų | 42 | 58% | 0.575 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -66.2 | -43.5 | -179.7 | -58.8 | 67.1 | -141.2 | 0 | 0 | 110.2 | S96 T101 T102 | S96-E98 VanDerWaalsContact C-N 3.3Å; S96-E98 WeakPolarHBondContact CB-OE2 3.05Å; S96-E98 PolarHBondContact OG-N 3.3Å; S96-E98 PolarHBondContact OG-OE2 3.46Å; E98-T101 PolarHBondContact O-N 2.99Å; E98-T102 WeakPolarHBondContact O-CB 3.23Å; E98-T102 PolarHBondContact O-N 3.04Å; E98-T102 PolarHBondContact O-OG1 3.32Å |
| 99 | E | 98.1 | Very high | 97.6 | Very high | 33 Ų | 33 | 44.2 Ų | 44.2 | 15% | 0.154 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -42.1 | 173.8 | -70.4 | 177.8 | 151.5 | 0 | 0 | 111.3 | A11 R12 F94 A95 S96 T101 T102 F103 | A11-E99 HydrophobicContact CB-CB 4.12Å; R12-E99 IonicContact CZ-OE1 2.95Å; R12-E99 IonicContact NE-OE1 2.79Å; R12-E99 PolarHBondContact NE-OE1 3.12Å; R12-E99 IonicContact NH2-OE1 3.3Å; R12-E99 PolarHBondContact NH2-OE1 2.72Å; F94-E99 HydrophobicContact CD1-CB 4.42Å; A95-E99 VanDerWaalsContact CB-OE2 3.23Å; A95-E99 WeakPolarHBondContact CB-OE2 3.38Å; A95-E99 PolarHBondContact N-OE2 2.83Å; S96-E99 PolarHBondContact N-OE2 3.26Å; S96-E99 PolarHBondContact OG-N 3.08Å; E99-T101 PolarHBondContact O-N 3.45Å; E99-T102 PolarHBondContact O-N 2.89Å; E99-F103 WeakPolarHBondContact O-CB 3.48Å; E99-F103 PolarHBondContact O-N 3.12Å |
| 100 | A | 97.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.8 | -44.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P78 H81 F94 S96 K97 F103 S104 | P78-A100 WeakPolarHBondContact O-CB 3.23Å; H81-A100 PolarHBondContact CE1-O 3.38Å; H81-A100 VanDerWaalsContact CE1-O 3.23Å; F94-A100 HydrophobicContact CB-CB 3.81Å; F94-A100 HydrophobicContact CD1-CB 4.31Å; F94-A100 HydrophobicContact CD2-CB 3.49Å; F94-A100 VanDerWaalsContact CD2-CB 3.49Å; F94-A100 HydrophobicContact CE2-CB 4.17Å; F94-A100 HydrophobicContact CG-CB 3.59Å; S96-A100 PolarHBondContact O-N 3.37Å; S96-A100 VanDerWaalsContact O-N 3.11Å; K97-A100 WeakPolarHBondContact O-CB 3.45Å; K97-A100 PolarHBondContact O-N 3.3Å; A100-F103 PolarHBondContact O-N 2.99Å; A100-S104 PolarHBondContact O-N 3.49Å; A100-S104 PolarHBondContact O-OG 3.45Å |
| 101 | T | 98 | Very high | 97.4 | Very high | 59 Ų | 59 | 42.1 Ų | 42.1 | 36% | 0.362 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.6 | -43 | 178.6 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | K97 E98 E99 F103 S104 N105 | K97-T101 WeakPolarHBondContact O-CB 3.4Å; K97-T101 PolarHBondContact O-N 3.41Å; K97-T101 PolarHBondContact O-OG1 2.92Å; E98-T101 PolarHBondContact O-N 2.99Å; E99-T101 PolarHBondContact O-N 3.45Å; T101-F103 VanDerWaalsContact C-N 3.31Å; T101-F103 PolarHBondContact O-N 3.4Å; T101-S104 WeakPolarHBondContact CA-OG 3.47Å; T101-S104 PolarHBondContact O-N 3.3Å; T101-S104 PolarHBondContact O-OG 3.34Å; T101-N105 VanDerWaalsContact O-CG 3.22Å; T101-N105 PolarHBondContact O-N 3.48Å; T101-N105 PolarHBondContact O-ND2 3.35Å |
| 102 | T | 97.8 | Very high | 97.3 | Very high | 74 Ų | 74 | 47.3 Ų | 47.3 | 45% | 0.454 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 176.3 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | E98 E99 A106 | E98-T102 WeakPolarHBondContact O-CB 3.23Å; E98-T102 PolarHBondContact O-N 3.04Å; E98-T102 PolarHBondContact O-OG1 3.32Å; E99-T102 PolarHBondContact O-N 2.89Å; T102-A106 PolarHBondContact O-N 3.47Å |
| 103 | F | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.1 | -43.6 | 177.8 | -174.1 | -88.9 | 0 | 0 | 0 | 112.3 | A11 I38 I40 V51 Y73 W83 L92 F94 E99 A100 T101 N105 A106 M107 | A11-F103 HydrophobicContact CB-CB 4.21Å; A11-F103 HydrophobicContact CB-CD2 4.41Å; I38-F103 HydrophobicContact CB-CE2 4.47Å; I38-F103 HydrophobicContact CG2-CD2 4.19Å; I38-F103 HydrophobicContact CG2-CE2 3.51Å; I38-F103 HydrophobicContact CG2-CZ 4.25Å; I40-F103 HydrophobicContact CD1-CD2 4.13Å; I40-F103 HydrophobicContact CD1-CE2 3.71Å; I40-F103 HydrophobicContact CD1-CZ 3.94Å; I40-F103 HydrophobicContact CG1-CD2 4.28Å; I40-F103 HydrophobicContact CG1-CE2 3.65Å; I40-F103 HydrophobicContact CG1-CZ 4.16Å; V51-F103 HydrophobicContact CG1-CE2 4.25Å; V51-F103 HydrophobicContact CG1-CZ 4.1Å; V51-F103 HydrophobicContact CG2-CZ 4.37Å; Y73-F103 HydrophobicContact CE2-CD1 4.48Å; Y73-F103 HydrophobicContact CE2-CE1 4.12Å; W83-F103 HydrophobicContact CZ3-CE1 4.39Å; L92-F103 HydrophobicContact CD1-CD1 4.32Å; L92-F103 HydrophobicContact CD1-CE1 3.69Å; L92-F103 HydrophobicContact CD1-CE2 4.07Å; L92-F103 HydrophobicContact CD1-CZ 3.55Å; F94-F103 HydrophobicContact CE1-CB 3.56Å; F94-F103 HydrophobicContact CE1-CD1 4.07Å; F94-F103 HydrophobicContact CE1-CD2 4.13Å; F94-F103 AromaticContact CE1-CG 3.64Å; F94-F103 HydrophobicContact CE1-CG 3.64Å; F94-F103 HydrophobicContact CE2-CD1 4.42Å; F94-F103 HydrophobicContact CZ-CB 3.7Å; F94-F103 AromaticContact CZ-CD1 3.44Å; F94-F103 HydrophobicContact CZ-CD1 3.44Å; F94-F103 VanDerWaalsContact CZ-CD1 3.44Å; F94-F103 HydrophobicContact CZ-CD2 4.28Å; F94-F103 HydrophobicContact CZ-CE1 4.11Å; F94-F103 AromaticContact CZ-CG 3.52Å; F94-F103 HydrophobicContact CZ-CG 3.52Å; E99-F103 WeakPolarHBondContact O-CB 3.48Å; E99-F103 PolarHBondContact O-N 3.12Å; A100-F103 PolarHBondContact O-N 2.99Å; T101-F103 VanDerWaalsContact C-N 3.31Å; T101-F103 PolarHBondContact O-N 3.4Å; F103-N105 PolarHBondContact O-N 3.32Å; F103-A106 PolarHBondContact O-N 2.97Å; F103-M107 HydrophobicContact CE1-CB 4.37Å; F103-M107 HydrophobicContact CE1-SD 4.39Å; F103-M107 HydrophobicContact CZ-SD 4.43Å; F103-M107 WeakPolarHBondContact O-CB 3.46Å; F103-M107 PolarHBondContact O-N 3.22Å |
| 104 | S | 97.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 3% | 0.028 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | -179.8 | 60.8 | 0 | 0 | 0 | 0 | 112.1 | Y73 Q75 A100 T101 A106 M107 L108 | Y73-S104 WeakPolarHBondContact OH-CA 3.39Å; Y73-S104 WeakPolarHBondContact OH-CB 3.45Å; Q75-S104 PolarHBondContact OE1-OG 2.89Å; A100-S104 PolarHBondContact O-N 3.49Å; A100-S104 PolarHBondContact O-OG 3.45Å; T101-S104 WeakPolarHBondContact CA-OG 3.47Å; T101-S104 PolarHBondContact O-N 3.3Å; T101-S104 PolarHBondContact O-OG 3.34Å; S104-A106 PolarHBondContact O-N 2.96Å; S104-M107 PolarHBondContact O-N 3Å; S104-L108 WeakPolarHBondContact O-CB 3.39Å; S104-L108 VanDerWaalsContact O-CG 3.27Å; S104-L108 WeakPolarHBondContact O-CG 3.34Å; S104-L108 PolarHBondContact O-N 3.47Å |
| 105 | N | 97.8 | Very high | 96.2 | Very high | 101 Ų | 101 | 49.9 Ų | 49.9 | 54% | 0.54 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.9 | -47.1 | 175.3 | -70.4 | -22.4 | 0 | 0 | 0 | 111.8 | T101 F103 F109 | T101-N105 VanDerWaalsContact O-CG 3.22Å; T101-N105 PolarHBondContact O-N 3.48Å; T101-N105 PolarHBondContact O-ND2 3.35Å; F103-N105 PolarHBondContact O-N 3.32Å; N105-F109 VanDerWaalsContact O-CB 3.29Å; N105-F109 WeakPolarHBondContact O-CB 3.29Å; N105-F109 PolarHBondContact O-N 3.26Å |
| 106 | A | 97.5 | Very high | 95.5 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 11% | 0.107 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.5 | -38.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I8 C9 I40 T102 F103 S104 F109 A110 | I8-A106 HydrophobicContact CD1-CB 4.24Å; C9-A106 HydrophobicContact CB-CB 3.49Å; C9-A106 VanDerWaalsContact CB-CB 3.49Å; I40-A106 HydrophobicContact CD1-CB 4.05Å; T102-A106 PolarHBondContact O-N 3.47Å; F103-A106 PolarHBondContact O-N 2.97Å; S104-A106 PolarHBondContact O-N 2.96Å; A106-F109 PolarHBondContact O-N 2.93Å; A106-A110 WeakPolarHBondContact O-CB 3.06Å; A106-A110 PolarHBondContact O-N 3.05Å |
| 107 | M | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 177.4 | -168.1 | 70.8 | -176.7 | 0 | 0 | 111.6 | I40 V51 I67 L71 Y73 F103 S104 F109 A110 L111 | I40-M107 HydrophobicContact CD1-CB 4.17Å; I40-M107 HydrophobicContact CD1-SD 3.98Å; V51-M107 HydrophobicContact CG2-SD 4.27Å; I67-M107 HydrophobicContact CD1-CE 3.75Å; I67-M107 HydrophobicContact CD1-SD 3.55Å; I67-M107 VanDerWaalsContact CD1-SD 3.55Å; I67-M107 HydrophobicContact CG1-CE 3.95Å; I67-M107 HydrophobicContact CG1-SD 4.37Å; I67-M107 HydrophobicContact CG2-CE 4.15Å; L71-M107 HydrophobicContact CD2-CE 3.08Å; Y73-M107 HydrophobicContact CD1-CG 4.49Å; Y73-M107 HydrophobicContact CD2-CE 4.47Å; Y73-M107 HydrophobicContact CD2-CG 3.74Å; Y73-M107 HydrophobicContact CE2-CB 4.38Å; Y73-M107 HydrophobicContact CE2-CG 3.91Å; Y73-M107 HydrophobicContact CG-CG 4.02Å; F103-M107 HydrophobicContact CE1-CB 4.37Å; F103-M107 HydrophobicContact CE1-SD 4.39Å; F103-M107 HydrophobicContact CZ-SD 4.43Å; F103-M107 WeakPolarHBondContact O-CB 3.46Å; F103-M107 PolarHBondContact O-N 3.22Å; S104-M107 PolarHBondContact O-N 3Å; M107-F109 VanDerWaalsContact C-N 3.33Å; M107-F109 PolarHBondContact O-N 2.93Å; M107-A110 PolarHBondContact O-N 3.45Å; M107-L111 WeakPolarHBondContact O-CG 3.28Å; M107-L111 PolarHBondContact O-N 3.25Å |
| 108 | L | 96 | Very high | 92.4 | Very high | 83 Ų | 83 | 54.8 Ų | 54.8 | 44% | 0.435 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.8 | -39.4 | 177.9 | -67.8 | 175.4 | 0 | 0 | 0 | 111.7 | Y73 S104 L111 N112 | Y73-L108 HydrophobicContact CD1-CD2 4.27Å; S104-L108 WeakPolarHBondContact O-CB 3.39Å; S104-L108 VanDerWaalsContact O-CG 3.27Å; S104-L108 WeakPolarHBondContact O-CG 3.34Å; S104-L108 PolarHBondContact O-N 3.47Å; L108-L111 PolarHBondContact O-N 3.4Å; L108-N112 WeakPolarHBondContact O-CB 3.36Å; L108-N112 PolarHBondContact O-N 3.2Å |
| 109 | F | 95.4 | Very high | 90.4 | Very high | 109 Ų | 109 | 51.8 Ų | 51.8 | 48% | 0.478 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.4 | -48.3 | 173.4 | 171 | -103.7 | 0 | 0 | 0 | 112.1 | I8 N105 A106 M107 L111 N112 I113 | I8-F109 HydrophobicContact CD1-CD1 4.25Å; N105-F109 VanDerWaalsContact O-CB 3.29Å; N105-F109 WeakPolarHBondContact O-CB 3.29Å; N105-F109 PolarHBondContact O-N 3.26Å; A106-F109 PolarHBondContact O-N 2.93Å; M107-F109 VanDerWaalsContact C-N 3.33Å; M107-F109 PolarHBondContact O-N 2.93Å; F109-L111 PolarHBondContact O-N 2.6Å; F109-N112 PolarHBondContact O-N 3.18Å; F109-I113 HydrophobicContact CD1-CD1 4.05Å; F109-I113 HydrophobicContact CD2-CD1 4.23Å; F109-I113 HydrophobicContact CE1-CD1 3.42Å; F109-I113 VanDerWaalsContact CE1-CD1 3.42Å; F109-I113 HydrophobicContact CE2-CD1 3.63Å; F109-I113 HydrophobicContact CE2-CG1 4.3Å; F109-I113 HydrophobicContact CG-CD1 4.43Å; F109-I113 HydrophobicContact CZ-CD1 3.2Å; F109-I113 HydrophobicContact CZ-CG1 4.31Å; F109-I113 PolarHBondContact O-N 3.41Å |
| 110 | A | 95.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.3 | -46.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F49 I67 A106 M107 N112 I113 M114 | F49-A110 HydrophobicContact CB-CB 4.05Å; F49-A110 HydrophobicContact CD1-CB 3.57Å; F49-A110 HydrophobicContact CD2-CB 3.94Å; F49-A110 HydrophobicContact CE1-CB 3.91Å; F49-A110 HydrophobicContact CE2-CB 4.27Å; F49-A110 HydrophobicContact CG-CB 3.58Å; F49-A110 HydrophobicContact CZ-CB 4.25Å; I67-A110 HydrophobicContact CD1-CB 4.38Å; A106-A110 WeakPolarHBondContact O-CB 3.06Å; A106-A110 PolarHBondContact O-N 3.05Å; M107-A110 PolarHBondContact O-N 3.45Å; A110-N112 VanDerWaalsContact C-N 3.32Å; A110-N112 PolarHBondContact O-N 2.85Å; A110-I113 PolarHBondContact O-N 2.93Å; A110-M114 WeakPolarHBondContact O-CB 3.33Å; A110-M114 VanDerWaalsContact O-CG 3.23Å; A110-M114 WeakPolarHBondContact O-CG 3.4Å; A110-M114 PolarHBondContact O-N 3.24Å |
| 111 | L | 94.9 | Very high | 85.9 | Confident | 15 Ų | 15 | 64.7 Ų | 64.7 | 8% | 0.079 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 177.6 | -66.5 | 173.4 | 0 | 0 | 0 | 112.2 | I67 L71 M107 L108 F109 M114 N115 | I67-L111 HydrophobicContact CG2-CD2 3.61Å; L71-L111 HydrophobicContact CB-CD2 3.78Å; L71-L111 HydrophobicContact CD2-CD2 4.27Å; M107-L111 WeakPolarHBondContact O-CG 3.28Å; M107-L111 PolarHBondContact O-N 3.25Å; L108-L111 PolarHBondContact O-N 3.4Å; F109-L111 PolarHBondContact O-N 2.6Å; L111-M114 PolarHBondContact O-N 2.87Å; L111-N115 WeakPolarHBondContact O-CB 3.41Å; L111-N115 PolarHBondContact O-N 2.81Å; L111-N115 PolarHBondContact O-ND2 3.47Å; L111-N115 VanDerWaalsContact O-ND2 3.17Å |
| 112 | N | 94 | Very high | 83.3 | Confident | 108 Ų | 108 | 71.1 Ų | 71.1 | 58% | 0.578 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -64.1 | -44.5 | 177.6 | -172.8 | 65.2 | 0 | 0 | 0 | 112.3 | L108 F109 A110 M114 N115 S116 | L108-N112 WeakPolarHBondContact O-CB 3.36Å; L108-N112 PolarHBondContact O-N 3.2Å; F109-N112 PolarHBondContact O-N 3.18Å; A110-N112 VanDerWaalsContact C-N 3.32Å; A110-N112 PolarHBondContact O-N 2.85Å; N112-M114 VanDerWaalsContact C-N 3.35Å; N112-N115 PolarHBondContact O-N 2.81Å; N112-S116 PolarHBondContact O-N 3.28Å; N112-S116 PolarHBondContact O-OG 2.78Å |
| 113 | I | 92.1 | Very high | 80.8 | Confident | 34 Ų | 34 | 73.4 Ų | 73.4 | 17% | 0.174 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 176.1 | -69.9 | 176.5 | 0 | 0 | 0 | 111.1 | F49 F109 A110 N115 S116 Q117 | F49-I113 HydrophobicContact CE2-CB 4.09Å; F49-I113 HydrophobicContact CE2-CG2 3.91Å; F49-I113 HydrophobicContact CZ-CB 4.21Å; F49-I113 HydrophobicContact CZ-CD1 3.93Å; F49-I113 HydrophobicContact CZ-CG2 4.15Å; F109-I113 HydrophobicContact CD1-CD1 4.05Å; F109-I113 HydrophobicContact CD2-CD1 4.23Å; F109-I113 HydrophobicContact CE1-CD1 3.42Å; F109-I113 VanDerWaalsContact CE1-CD1 3.42Å; F109-I113 HydrophobicContact CE2-CD1 3.63Å; F109-I113 HydrophobicContact CE2-CG1 4.3Å; F109-I113 HydrophobicContact CG-CD1 4.43Å; F109-I113 HydrophobicContact CZ-CD1 3.2Å; F109-I113 HydrophobicContact CZ-CG1 4.31Å; F109-I113 PolarHBondContact O-N 3.41Å; A110-I113 PolarHBondContact O-N 2.93Å; I113-N115 VanDerWaalsContact C-N 3.25Å; I113-N115 PolarHBondContact O-N 2.86Å; I113-S116 PolarHBondContact O-N 3.35Å; I113-S116 PolarHBondContact O-OG 2.85Å; I113-Q117 PolarHBondContact O-N 3.16Å |
| 114 | M | 90.1 | Very high | 78.2 | Confident | 17 Ų | 17 | 81.8 Ų | 81.8 | 8% | 0.084 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.4 | -32.7 | 179.6 | -72.3 | -179.7 | 73 | 0 | 0 | 112.3 | F49 I67 K69 A110 L111 N112 | F49-M114 HydrophobicContact CB-SD 4.4Å; F49-M114 HydrophobicContact CD2-CG 3.68Å; F49-M114 HydrophobicContact CD2-SD 3.83Å; F49-M114 HydrophobicContact CE2-CG 4Å; I67-M114 HydrophobicContact CB-SD 4.12Å; I67-M114 HydrophobicContact CG2-CE 4.42Å; I67-M114 HydrophobicContact CG2-SD 3.69Å; I67-M114 WeakPolarHBondContact O-CE 3.39Å; K69-M114 WeakPolarHBondContact CD-O 3.43Å; K69-M114 WeakPolarHBondContact CE-O 3.34Å; K69-M114 HydrophobicContact CG-CB 4.19Å; K69-M114 HydrophobicContact CG-CE 4.13Å; K69-M114 PolarHBondContact NZ-O 2.79Å; A110-M114 WeakPolarHBondContact O-CB 3.33Å; A110-M114 VanDerWaalsContact O-CG 3.23Å; A110-M114 WeakPolarHBondContact O-CG 3.4Å; A110-M114 PolarHBondContact O-N 3.24Å; L111-M114 PolarHBondContact O-N 2.87Å; N112-M114 VanDerWaalsContact C-N 3.35Å |
| 115 | N | 88.6 | Confident | 75.6 | Confident | 82 Ų | 82 | 87.3 Ų | 87.3 | 44% | 0.439 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -78.8 | -33.7 | 176.9 | -67.7 | -20.7 | 0 | 0 | 0 | 112.8 | L111 N112 I113 Q117 | L111-N115 WeakPolarHBondContact O-CB 3.41Å; L111-N115 PolarHBondContact O-N 2.81Å; L111-N115 PolarHBondContact O-ND2 3.47Å; L111-N115 VanDerWaalsContact O-ND2 3.17Å; N112-N115 PolarHBondContact O-N 2.81Å; I113-N115 VanDerWaalsContact C-N 3.25Å; I113-N115 PolarHBondContact O-N 2.86Å; N115-Q117 VanDerWaalsContact C-N 3.31Å; N115-Q117 PolarHBondContact O-N 3.49Å |
| 116 | S | 84.8 | Confident | 72.7 | Confident | 74 Ų | 74 | 91.3 Ų | 91.3 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.3 | -22.7 | -177.4 | 66.7 | 0 | 0 | 0 | 0 | 114.1 | N112 I113 E118 G119 | N112-S116 PolarHBondContact O-N 3.28Å; N112-S116 PolarHBondContact O-OG 2.78Å; I113-S116 PolarHBondContact O-N 3.35Å; I113-S116 PolarHBondContact O-OG 2.85Å; S116-E118 PolarHBondContact O-N 3.4Å; S116-E118 VanDerWaalsContact O-N 3.16Å; S116-G119 PolarHBondContact O-N 3.35Å |
| 117 | Q | 71.6 | Confident | 70 | Confident | 82 Ų | 82 | 100 Ų | 100 | 38% | 0.383 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -17 | 179.7 | -153.1 | -172.7 | 36.6 | 0 | 0 | 114 | I113 N115 | I113-Q117 PolarHBondContact O-N 3.16Å; N115-Q117 VanDerWaalsContact C-N 3.31Å; N115-Q117 PolarHBondContact O-N 3.49Å |
| 118 | E | 59.1 | Low | 67.7 | Low | 139 Ų | 139 | 108.8 Ų | 108.8 | 65% | 0.65 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -26.2 | 179 | -148.5 | 79.3 | -144.3 | 0 | 0 | 112.5 | K69 S116 | K69-E118 IonicContact NZ-OE2 2.72Å; K69-E118 PolarHBondContact NZ-OE2 3.03Å; S116-E118 PolarHBondContact O-N 3.4Å; S116-E118 VanDerWaalsContact O-N 3.16Å |
| 119 | G | 54.9 | Low | 65.1 | Low | 60 Ų | 60 | 111.5 Ų | 111.5 | 62% | 0.619 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -19.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | S116 | S116-G119 PolarHBondContact O-N 3.35Š|
| 120 | A | 52.8 | Low | 62.9 | Low | 86 Ų | 86 | 112.2 Ų | 112.2 | 71% | 0.711 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -0.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 121 | R | 49.1 | Very low | 60 | Low | 218 Ų | 218 | 118.2 Ų | 118.2 | 82% | 0.823 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.9 | 12.8 | 178.8 | -83.8 | -175.4 | 176.5 | 173.4 | -0.7 | 114.7 | ||
| 122 | K | 44.4 | Very low | 56.9 | Low | 195 Ų | 195 | 122.6 Ų | 122.6 | 85% | 0.848 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -117.6 | 18.2 | 178.3 | -78.6 | -167.6 | 177.5 | -174.9 | 0 | 115.7 | ||
| 123 | T | 43.6 | Very low | 53.9 | Low | 121 Ų | 121 | 128.4 Ų | 128.4 | 74% | 0.742 | 66% | 0.659 | S | S | * | * | trans | -120.9 | 75.4 | 169.7 | -39.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 124 | E | 45.5 | Very low | 52.2 | Low | 177 Ų | 177 | 131.8 Ų | 131.8 | 83% | 0.827 | 68% | 0.683 | S | S | * | * | trans | -58.3 | 128.7 | 149.7 | -85.3 | 179 | 105.1 | 0 | 0 | 106.9 | Q126 | E124-Q126 VanDerWaalsContact C-N 3.34Å; E124-Q126 PolarHBondContact O-N 3.26Å | ||
| 125 | P | 42.7 | Very low | 50 | Low | 120 Ų | 120 | 140.7 Ų | 140.7 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | trans | -66.8 | 103.1 | 166.3 | 27.2 | -27.1 | 0 | 0 | 0 | 105.8 | R127 | P125-R127 PolarHBondContact O-N 3.15Š| ||
| 126 | Q | 37.6 | Very low | 48 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.864 | 74% | 0.739 | S | S | * | * | trans | -58.6 | 98.8 | 160.6 | -78.2 | -168.3 | -54.8 | 0 | 0 | 105.9 | E124 E128 | E124-Q126 VanDerWaalsContact C-N 3.34Å; E124-Q126 PolarHBondContact O-N 3.26Å; Q126-E128 PolarHBondContact O-N 3.06Å | ||
| 127 | R | 40.3 | Very low | 46.5 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 73% | 0.732 | 75% | 0.752 | S | S | * | * | trans | -48.2 | 107.8 | 159.4 | -175 | -179.2 | -162.1 | -103 | -1.4 | 105.3 | P125 E129 | P125-R127 PolarHBondContact O-N 3.15Å; R127-E129 HydrophobicContact CG-CG 4.39Å; R127-E129 IonicContact NH1-OE1 2.88Å; R127-E129 PolarHBondContact NH1-OE1 3.48Å; R127-E129 PolarHBondContact O-N 3.21Å | ||
| 128 | E | 48.9 | Very low | 45.8 | Very low | 186 Ų | 186 | 148.4 Ų | 148.4 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | -61.9 | 87.7 | 171.4 | -67.7 | 178.9 | 150.2 | 0 | 0 | 107.1 | Q126 V130 | Q126-E128 PolarHBondContact O-N 3.06Å; E128-V130 VanDerWaalsContact C-N 3.31Å; E128-V130 PolarHBondContact O-N 3.2Å | ||
| 129 | E | 41.6 | Very low | 45.1 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 65% | 0.654 | 77% | 0.773 | S | S | * | * | trans | -71.1 | 96.6 | 165.6 | -69.1 | -150.4 | 125.1 | 0 | 0 | 107.3 | R127 C131 | R127-E129 HydrophobicContact CG-CG 4.39Å; R127-E129 IonicContact NH1-OE1 2.88Å; R127-E129 PolarHBondContact NH1-OE1 3.48Å; R127-E129 PolarHBondContact O-N 3.21Å; E129-C131 PolarHBondContact O-N 2.98Å | ||
| 130 | V | 48.3 | Very low | 44.8 | Very low | 123 Ų | 123 | 152.8 Ų | 152.8 | 75% | 0.745 | 78% | 0.783 | S | S | * | * | trans | -41.5 | 109 | 161.1 | 164.7 | 0 | 0 | 0 | 0 | 109.1 | E128 | E128-V130 VanDerWaalsContact C-N 3.31Å; E128-V130 PolarHBondContact O-N 3.2Å | ||
| 131 | C | 34.5 | Very low | 44.3 | Very low | 126 Ų | 126 | 153.4 Ų | 153.4 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -99.8 | 110.1 | 165.3 | -77.9 | 0 | 0 | 0 | 0 | 109.1 | E129 | E129-C131 PolarHBondContact O-N 2.98Š| ||
| 132 | T | 29.5 | Very low | 44.2 | Very low | 108 Ų | 108 | 151.3 Ų | 151.3 | 66% | 0.663 | 78% | 0.777 | S | S | * | * | trans | -78.9 | 124.2 | 177.2 | 3.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 133 | W | 33 | Very low | 44.2 | Very low | 229 Ų | 229 | 146.9 Ų | 146.9 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | 72.5 | 159.5 | 152.5 | -64.1 | 122.8 | 0 | 0 | 0 | 121.3 | ||||
| 134 | P | 54.4 | Low | 44.1 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | -121.2 | 170.3 | -81.1 | 18.8 | 4.3 | 0 | 0 | 0 | 113.2 | |||||
| 135 | K | 44.8 | Very low | 44.4 | Very low | 205 Ų | 205 | 147 Ų | 147 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | -131.3 | 145.3 | 157.7 | -87.5 | 176.5 | 179 | 159 | 0 | 111.6 | ||||
| 136 | P | 45.7 | Very low | 44.4 | Very low | 122 Ų | 122 | 151 Ų | 151 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | trans | -83.9 | 148.7 | -161.4 | -3.3 | 23.2 | 0 | 0 | 0 | 112.8 | ||||
| 137 | L | 54 | Low | 44.6 | Very low | 151 Ų | 151 | 147 Ų | 147 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -61.3 | 152.5 | 166.5 | -123.5 | 81.9 | 0 | 0 | 0 | 111.3 | D139 | L137-D139 HydrophobicContact CD2-CB 4.3Š| ||
| 138 | P | 57.5 | Low | 44.9 | Very low | 127 Ų | 127 | 149 Ų | 149 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | -108.4 | 122.8 | 133.6 | 29.1 | -24.2 | 0 | 0 | 0 | 110.4 | ||||
| 139 | D | 44.2 | Very low | 44.3 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | trans | -87.5 | 133.1 | 167 | -178.8 | 21.8 | 0 | 0 | 0 | 109.7 | L137 | L137-D139 HydrophobicContact CD2-CB 4.3Š| ||
| 140 | M | 48.7 | Very low | 44.3 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 82% | 0.823 | 78% | 0.778 | S | S | * | * | trans | 175 | 102.8 | 139.8 | -103 | 170.1 | 65.6 | 0 | 0 | 107.2 | ||||
| 141 | T | 43 | Very low | 43.7 | Very low | 98 Ų | 98 | 149.2 Ų | 149.2 | 60% | 0.601 | 78% | 0.779 | S | S | * | * | 65.7 | 115.4 | 92.3 | -59.1 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 142 | Q | 45.6 | Very low | 43.5 | Very low | 174 Ų | 174 | 148.2 Ų | 148.2 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | -172.2 | 142.9 | 56.1 | -150.3 | 157.1 | -0.9 | 0 | 0 | 110.8 | |||||
| 143 | S | 43.9 | Very low | 43.8 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | 39.8 | 109.6 | 139 | -175.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 144 | G | 42.8 | Very low | 43.9 | Very low | 66 Ų | 66 | 143 Ų | 143 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | 95.8 | 129 | 58.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 145 | R | 50.9 | Low | 43.2 | Very low | 236 Ų | 236 | 143.7 Ų | 143.7 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | trans | 103.1 | 91.2 | 164.1 | -58.1 | 177.2 | 171.5 | 163 | -1.1 | 116.5 | A147 | R145-A147 PolarHBondContact O-N 2.89Š| ||
| 146 | E | 43.1 | Very low | 43.3 | Very low | 204 Ų | 204 | 139.7 Ų | 139.7 | 95% | 0.953 | 78% | 0.778 | S | S | * | * | trans | -12.2 | 115.3 | 136.4 | -78.1 | 167.4 | 96.3 | 0 | 0 | 114.2 | ||||
| 147 | A | 43 | Very low | 43.1 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -108.1 | 113.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | R145 | R145-A147 PolarHBondContact O-N 2.89Š| ||
| 148 | R | 45.5 | Very low | 42.7 | Very low | 238 Ų | 238 | 139 Ų | 139 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | trans | 83.3 | 84.5 | 137.8 | -157.4 | 165 | -177.1 | 169.9 | 0 | 118 | ||||
| 149 | M | 36.1 | Very low | 42.1 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | 11.1 | 140.2 | 116.2 | -99.9 | 176.3 | -168.6 | 0 | 0 | 119.2 | |||||
| 150 | R | 41.1 | Very low | 41.6 | Very low | 195 Ų | 195 | 137 Ų | 137 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | 85.4 | 103.1 | 137.7 | -73.7 | 171.2 | -173.7 | 150.2 | 2 | 115.7 | ||||
| 151 | T | 36.2 | Very low | 40.8 | Very low | 125 Ų | 125 | 134 Ų | 134 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | 60.3 | 112.9 | 94.3 | 60.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 152 | C | 30.1 | Very low | 40.5 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | trans | 153.3 | 117.9 | 133.3 | 61.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 153 | S | 37 | Very low | 39.9 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | 41.5 | 104.5 | 94.7 | 42 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 154 | S | 33.7 | Very low | 39.3 | Very low | 116 Ų | 116 | 132 Ų | 132 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | 174.3 | 94.4 | 137.5 | 36.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 155 | S | 40.9 | Very low | 38.8 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80 | 139.1 | 156.7 | -58.4 | 0 | 0 | 0 | 0 | 108.8 | ||
| 156 | P | 45.9 | Very low | 38 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 164.9 | 175.5 | 33 | -31.5 | 0 | 0 | 0 | 112.7 | ||
| 157 | P | 42.5 | Very low | 37.3 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 162.4 | -156.1 | 36.7 | -33.8 | 0 | 0 | 0 | 116.1 | ||
| 158 | V | 44.2 | Very low | 36.9 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -65 | 171.5 | 169.6 | -79.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 159 | P | 46.9 | Very low | 36.7 | Very low | 130 Ų | 130 | 120.6 Ų | 120.6 | 84% | 0.844 | 77% | 0.767 | S | S | * | * | -142.7 | 153.3 | 117.3 | 35.9 | -21.1 | 0 | 0 | 0 | 116.4 | |||||
| 160 | G | 32.5 | Very low | 36.5 | Very low | 78 Ų | 78 | 125.1 Ų | 125.1 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 102.3 | 125.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 161 | S | 32.6 | Very low | 36 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | cis | -165.3 | 131.1 | 8 | -152 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 162 | V | 35.8 | Very low | 35.9 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 71% | 0.709 | 78% | 0.781 | S | S | * | * | trans | 57.3 | 114.1 | 139.9 | -55 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 163 | V | 33.8 | Very low | 36 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | 54.1 | 137.9 | 128.4 | -46.7 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 164 | G | 30.2 | Very low | 35.7 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | cis | 161.5 | 152.7 | 3.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 165 | A | 32.4 | Very low | 36.2 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | 65.5 | 108.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 166 | A | 34.1 | Very low | 35.7 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | 68.2 | 117.2 | 74.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 167 | W | 29.3 | Very low | 35.4 | Very low | 233 Ų | 233 | 122 Ų | 122 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | -173.7 | 152 | 124.1 | -168.3 | -110.9 | 0 | 0 | 0 | 112.8 | |||||
| 168 | S | 33.5 | Very low | 35.1 | Very low | 70 Ų | 70 | 120 Ų | 120 | 49% | 0.49 | 79% | 0.793 | S | S | . | * | trans | -44.5 | 160.5 | 174.5 | -39.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 169 | S | 41.6 | Very low | 34.8 | Very low | 106 Ų | 106 | 120.5 Ų | 120.5 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | 11.3 | 118.9 | 142.7 | -72.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 170 | R | 31.6 | Very low | 34.2 | Very low | 227 Ų | 227 | 125.3 Ų | 125.3 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | 176 | 144.3 | 118.7 | -97.5 | 174.1 | -131.5 | -100 | 2.4 | 112.4 | |||||
| 171 | K | 30.8 | Very low | 34.3 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 40.2 | 129.4 | 143.7 | -59.1 | -165.1 | 177.8 | -166.3 | 0 | 122.3 | ||||
| 172 | S | 34.4 | Very low | 34.4 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 60.9 | 119.4 | 134.9 | 67.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 173 | A | 31.3 | Very low | 34.3 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | 143.4 | 133.4 | 118.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 174 | C | 32.3 | Very low | 34.5 | Very low | 123 Ų | 123 | 132 Ų | 132 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -67.6 | 168.5 | 176.9 | -44.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 175 | P | 42.6 | Very low | 34.9 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | -146.1 | 150.8 | 73.9 | 33.6 | -13.4 | 0 | 0 | 0 | 116.4 | |||||
| 176 | G | 31.8 | Very low | 35.3 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 78% | 0.784 | 80% | 0.797 | S | S | * | * | trans | 81.1 | 95.6 | 136.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 177 | A | 39.8 | Very low | 35.4 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | -175.4 | 103.1 | 123.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 178 | G | 35 | Very low | 35.8 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | 54 | 84.2 | 141.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 179 | L | 39.4 | Very low | 36.4 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | trans | -63.7 | 136.4 | 145.6 | -79.1 | 142.6 | 0 | 0 | 0 | 109.8 | ||||
| 180 | R | 34.2 | Very low | 37 | Very low | 230 Ų | 230 | 140.2 Ų | 140.2 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | -146 | 102.5 | 135.7 | -68.2 | -159 | 116.2 | -127.8 | -0.7 | 111.1 | ||||
| 181 | W | 34.5 | Very low | 38 | Very low | 223 Ų | 223 | 134.9 Ų | 134.9 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -77.8 | 130.4 | 154.4 | -68 | 85.6 | 0 | 0 | 0 | 107.8 | ||||
| 182 | V | 34.6 | Very low | 39.2 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 72% | 0.715 | 81% | 0.811 | S | S | * | * | trans | -94.4 | 104.3 | 169.8 | 177.8 | 0 | 0 | 0 | 0 | 107.8 | V184 | V182-V184 HydrophobicContact CG1-CG2 4.32Š| ||
| 183 | C | 33.3 | Very low | 39.6 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 71% | 0.709 | 81% | 0.813 | S | S | * | * | trans | -76.6 | 120.4 | 161.3 | -55.3 | 0 | 0 | 0 | 0 | 107.7 | T185 | C183-T185 PolarHBondContact O-N 2.95Š| ||
| 184 | V | 37 | Very low | 40.1 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | trans | -88.3 | 95.6 | 165.3 | -178.3 | 0 | 0 | 0 | 0 | 107 | V182 | V182-V184 HydrophobicContact CG1-CG2 4.32Š| ||
| 185 | T | 38.3 | Very low | 40.4 | Very low | 117 Ų | 117 | 131 Ų | 131 | 72% | 0.718 | 81% | 0.814 | S | S | * | * | trans | -96.9 | 123.4 | 165.2 | 50.2 | 0 | 0 | 0 | 0 | 109.7 | C183 S187 | C183-T185 PolarHBondContact O-N 2.95Å; T185-S187 PolarHBondContact O-N 2.95Å | ||
| 186 | L | 41.2 | Very low | 40 | Very low | 181 Ų | 181 | 128.7 Ų | 128.7 | 95% | 0.948 | 81% | 0.814 | S | S | * | * | trans | -35 | 117.1 | 164.6 | -157 | 77.7 | 0 | 0 | 0 | 112.3 | ||||
| 187 | S | 37.7 | Very low | 40.3 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -117.8 | 129.4 | 170.9 | 55.4 | 0 | 0 | 0 | 0 | 111 | T185 | T185-S187 PolarHBondContact O-N 2.95Š| ||
| 188 | K | 37 | Very low | 40.7 | Very low | 209 Ų | 209 | 136.2 Ų | 136.2 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 120.7 | -173.7 | -170.2 | 166.1 | 176.2 | 178.8 | 0 | 108.5 | ||
| 189 | S | 45.4 | Very low | 41.5 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 135.1 | 179.3 | -45.7 | 0 | 0 | 0 | 0 | 112 | ||
| 190 | P | 54.4 | Low | 41.6 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 159 | 165.3 | 32.5 | -29.6 | 0 | 0 | 0 | 112.4 | ||
| 191 | P | 53 | Low | 41.7 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 75% | 0.747 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 157.7 | -174.6 | 33.3 | -35.2 | 0 | 0 | 0 | 113 | ||
| 192 | P | 56.1 | Low | 41.8 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 84% | 0.844 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -77 | 128.6 | 176.6 | 29.3 | -31.8 | 0 | 0 | 0 | 112.5 | ||
| 193 | S | 41.7 | Very low | 41.6 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 137.7 | 167 | -81.3 | 0 | 0 | 0 | 0 | 111.7 | G195 | S193-G195 PolarHBondContact O-N 3.47Š|
| 194 | A | 43.2 | Very low | 41.8 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 90% | 0.901 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 123.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 195 | G | 37.9 | Very low | 41.8 | Very low | 76 Ų | 76 | 132.8 Ų | 132.8 | 78% | 0.784 | 83% | 0.833 | S | S | * | * | trans | -119.3 | 120.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | S193 | S193-G195 PolarHBondContact O-N 3.47Š| ||
| 196 | G | 33.5 | Very low | 42.1 | Very low | 82 Ų | 82 | 136 Ų | 136 | 85% | 0.845 | 84% | 0.84 | S | S | * | * | trans | -76.2 | 156.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 197 | M | 39.8 | Very low | 41.8 | Very low | 196 Ų | 196 | 134.2 Ų | 134.2 | 97% | 0.966 | 83% | 0.832 | S | S | * | * | trans | -130.8 | 130.9 | 161.4 | -84.1 | 165.1 | 170 | 0 | 0 | 108.7 | ||||
| 198 | T | 48.1 | Very low | 42 | Very low | 142 Ų | 142 | 135.8 Ų | 135.8 | 87% | 0.871 | 84% | 0.837 | S | S | * | * | trans | -79.3 | 170.6 | 179.1 | 28.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 199 | P | 50.7 | Low | 41.8 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 83% | 0.828 | S | S | * | * | trans | -98.4 | 154.1 | -151.3 | 37.4 | -32.8 | 0 | 0 | 0 | 114.3 | ||||
| 200 | Q | 41.1 | Very low | 41.4 | Very low | 201 Ų | 201 | 136.2 Ų | 136.2 | 94% | 0.939 | 83% | 0.828 | S | S | * | * | trans | -141 | 136.5 | 150.4 | -86.2 | -162.6 | 6.4 | 0 | 0 | 111.4 | ||||
| 201 | A | 37.9 | Very low | 41.2 | Very low | 100 Ų | 100 | 136.4 Ų | 136.4 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | -94.7 | 142.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 202 | R | 34.8 | Very low | 40.4 | Very low | 255 Ų | 255 | 134.4 Ų | 134.4 | 96% | 0.962 | 83% | 0.83 | S | S | * | * | trans | -177 | 128.8 | 133.5 | -120 | -179.7 | -174.5 | -169.1 | 1.6 | 112.1 | ||||
| 203 | G | 32.3 | Very low | 39.3 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | trans | 113.2 | 102 | 135.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 204 | S | 36.8 | Very low | 39.1 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | trans | 57.4 | 107.4 | 139.6 | -62.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 205 | S | 36.8 | Very low | 38.6 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 76% | 0.762 | 83% | 0.829 | S | S | * | * | 78.8 | 98.3 | 86.5 | -168.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 206 | H | 43.8 | Very low | 38.7 | Very low | 185 Ų | 185 | 145.1 Ų | 145.1 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | -164.7 | 137.2 | 125.7 | 39.5 | -82.9 | 0 | 0 | 0 | 110.8 | |||||
| 207 | D | 35.1 | Very low | 38.9 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 77% | 0.77 | 82% | 0.815 | S | S | * | * | trans | -79.7 | 127.3 | -176.5 | -166.4 | -61 | 0 | 0 | 0 | 110.1 | ||||
| 208 | T | 41.6 | Very low | 38.8 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -154.8 | 134.5 | 137.9 | -29.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 209 | K | 32.9 | Very low | 38.4 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 74% | 0.735 | 81% | 0.811 | S | S | * | * | trans | -82.8 | 126.1 | -167.3 | 178.5 | -177.8 | 177.1 | -177 | 0 | 113.9 | ||||
| 210 | M | 37.6 | Very low | 37.7 | Very low | 162 Ų | 162 | 149 Ų | 149 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | trans | 69 | 168.4 | 135.8 | -58.9 | -70.1 | -175 | 0 | 0 | 120.9 | ||||
| 211 | P | 49.9 | Very low | 38 | Very low | 120 Ų | 120 | 145.2 Ų | 145.2 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | cis | -132.6 | 168.4 | -43.4 | 34.8 | -18.6 | 0 | 0 | 0 | 112.3 | ||||
| 212 | G | 36.2 | Very low | 38.3 | Very low | 74 Ų | 74 | 146.5 Ų | 146.5 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | 167.4 | 67.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 213 | A | 33.3 | Very low | 38.6 | Very low | 91 Ų | 91 | 142.9 Ų | 142.9 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -74.1 | 123.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 214 | W | 38.3 | Very low | 39 | Very low | 243 Ų | 243 | 143.3 Ų | 143.3 | 92% | 0.92 | 79% | 0.794 | S | S | * | * | trans | -137.2 | 88.5 | 147.3 | -68.5 | 90.7 | 0 | 0 | 0 | 107.6 | ||||
| 215 | Y | 31.3 | Very low | 39.3 | Very low | 224 Ų | 224 | 142.1 Ų | 142.1 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -78.1 | 114.6 | 162.9 | -113.9 | -92.1 | 0 | 0 | 0 | 107.2 | ||||
| 216 | V | 41.1 | Very low | 40.1 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 62% | 0.618 | 79% | 0.791 | S | S | * | * | trans | -106.4 | 95.6 | 163.2 | -168.4 | 0 | 0 | 0 | 0 | 106.9 | F218 | V216-F218 HydrophobicContact CB-CE2 4.42Å; V216-F218 HydrophobicContact CG1-CD2 4.09Å; V216-F218 HydrophobicContact CG1-CE2 3.61Å; V216-F218 HydrophobicContact CG1-CZ 3.97Å; V216-F218 PolarHBondContact O-N 3.18Å | ||
| 217 | A | 37.9 | Very low | 39.8 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | -78.2 | 106 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109 | R219 | A217-R219 PolarHBondContact O-N 2.76Š| ||
| 218 | F | 37.9 | Very low | 39.9 | Very low | 193 Ų | 193 | 144.3 Ų | 144.3 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | trans | -81.2 | 101.1 | 164.9 | -75.5 | -79.8 | 0 | 0 | 0 | 109.1 | V216 A220 | V216-F218 HydrophobicContact CB-CE2 4.42Å; V216-F218 HydrophobicContact CG1-CD2 4.09Å; V216-F218 HydrophobicContact CG1-CE2 3.61Å; V216-F218 HydrophobicContact CG1-CZ 3.97Å; V216-F218 PolarHBondContact O-N 3.18Å; F218-A220 PolarHBondContact O-N 2.78Å | ||
| 219 | R | 38.3 | Very low | 40 | Very low | 239 Ų | 239 | 142.8 Ų | 142.8 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | trans | -73.4 | 106.9 | 164.5 | -126.3 | -177.5 | -176.1 | -164.1 | 1.6 | 107.5 | A217 V221 | A217-R219 PolarHBondContact O-N 2.76Å; R219-V221 PolarHBondContact O-N 2.96Å | ||
| 220 | A | 37.6 | Very low | 40.5 | Very low | 99 Ų | 99 | 140.3 Ų | 140.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -75.2 | 112.6 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | F218 | F218-A220 PolarHBondContact O-N 2.78Š| ||
| 221 | V | 47.6 | Very low | 40.6 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -90.5 | 120.8 | 168.8 | 177.1 | 0 | 0 | 0 | 0 | 107.7 | R219 H223 | R219-V221 PolarHBondContact O-N 2.96Å; V221-H223 PolarHBondContact O-N 2.88Å | ||
| 222 | P | 43.5 | Very low | 40.1 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -81.4 | 106.9 | 171.7 | 29.9 | -28.4 | 0 | 0 | 0 | 109.1 | ||||
| 223 | H | 40.4 | Very low | 40.3 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86 | 116.7 | 168.5 | -162.8 | -94.6 | 0 | 0 | 0 | 109.2 | V221 | V221-H223 PolarHBondContact O-N 2.88Š|
| 224 | A | 40.4 | Very low | 40.5 | Very low | 81 Ų | 81 | 140.6 Ų | 140.6 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 133.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 225 | A | 44.5 | Very low | 40.4 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -88.5 | 130 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 226 | P | 52.1 | Low | 41.3 | Very low | 118 Ų | 118 | 133 Ų | 133 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 131.9 | 173.5 | 28.6 | -29.2 | 0 | 0 | 0 | 111 | F228 | P226-F228 PolarHBondContact O-N 3.03Š|
| 227 | L | 38.7 | Very low | 41.2 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 119.5 | 167.9 | -65.5 | 166.2 | 0 | 0 | 0 | 108.8 | ||
| 228 | F | 36.5 | Very low | 41.2 | Very low | 197 Ų | 197 | 139.4 Ų | 139.4 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -97.8 | 110.5 | 169.3 | -133.8 | -96.2 | 0 | 0 | 0 | 108.8 | P226 | P226-F228 PolarHBondContact O-N 3.03Š| ||
| 229 | V | 43.3 | Very low | 41.3 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | -101.4 | 124 | 169.7 | -175.7 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 230 | P | 43.8 | Very low | 41.2 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | trans | -95.4 | 112.8 | 160.6 | 28.9 | -22.6 | 0 | 0 | 0 | 109.8 | ||||
| 231 | T | 39.5 | Very low | 41.2 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | -72.8 | 149.5 | 163.9 | 32.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 232 | S | 39.2 | Very low | 40.6 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -49.8 | 149.9 | 177.1 | 56.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 233 | S | 41.1 | Very low | 40.4 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -162.3 | 135.8 | 130.3 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 234 | S | 38.1 | Very low | 40.3 | Very low | 91 Ų | 91 | 137 Ų | 137 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | -59.8 | 169.3 | -176.6 | -52.6 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 235 | F | 36.1 | Very low | 40 | Very low | 196 Ų | 196 | 140.1 Ų | 140.1 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | 103.5 | 151.2 | 149.1 | -56.7 | -67.7 | 0 | 0 | 0 | 118.2 | ||||
| 236 | P | 50.9 | Low | 39.9 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | cis | -132.4 | 176.1 | -48.4 | 36.2 | -19.9 | 0 | 0 | 0 | 113.8 | ||||
| 237 | L | 38.2 | Very low | 39.3 | Very low | 153 Ų | 153 | 145.8 Ų | 145.8 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | trans | -20.4 | 132.3 | 165.4 | -73.8 | 136.5 | 0 | 0 | 0 | 117.5 | ||||
| 238 | N | 38.1 | Very low | 39 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 92% | 0.92 | 80% | 0.802 | S | S | * | * | trans | -131.4 | 126.2 | 143.1 | -108.9 | -26.7 | 0 | 0 | 0 | 111.1 | ||||
| 239 | H | 39.8 | Very low | 38.9 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -97.1 | 120.3 | -175.1 | -152.8 | -64.6 | 0 | 0 | 0 | 107 | ||||
| 240 | C | 35.8 | Very low | 38.4 | Very low | 128 Ų | 128 | 142.7 Ų | 142.7 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | trans | -153.8 | 83.9 | 165.7 | -98.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 241 | R | 37.1 | Very low | 38.1 | Very low | 237 Ų | 237 | 142.6 Ų | 142.6 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | 76.2 | 94.9 | 95.4 | -155.3 | 177.9 | -170.9 | -134.6 | 2.3 | 112.5 | |||||
| 242 | S | 36.5 | Very low | 38.1 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -73.2 | 136.3 | 156.8 | 176.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 243 | S | 37.6 | Very low | 37.8 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | 141.8 | 139.8 | 128.9 | -69 | 0 | 0 | 0 | 0 | 114 | |||||
| 244 | Q | 39.8 | Very low | 37.6 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | 106.8 | 106.5 | 149.2 | -51.2 | -161.8 | 2.4 | 0 | 0 | 118.2 | ||||
| 245 | N | 33.7 | Very low | 38.1 | Very low | 147 Ų | 147 | 153.7 Ų | 153.7 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | 40.1 | 122.8 | 124.7 | -69.7 | -60.5 | 0 | 0 | 0 | 118.6 | |||||
| 246 | L | 42.1 | Very low | 38.4 | Very low | 176 Ų | 176 | 151.8 Ų | 151.8 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | -162.6 | 137.9 | 116.2 | -101.7 | 159.8 | 0 | 0 | 0 | 111.3 | |||||
| 247 | L | 39 | Very low | 38 | Very low | 153 Ų | 153 | 153.9 Ų | 153.9 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | trans | -63.5 | 142.5 | 167.6 | -120.6 | 75.4 | 0 | 0 | 0 | 109.8 | ||||
| 248 | E | 33 | Very low | 38.1 | Very low | 195 Ų | 195 | 154.4 Ų | 154.4 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | -170 | 140.3 | 121 | -107.4 | -173.6 | 115.2 | 0 | 0 | 112.8 | |||||
| 249 | S | 34.8 | Very low | 38 | Very low | 113 Ų | 113 | 154.9 Ų | 154.9 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | -61.4 | 147.8 | 178.5 | -56.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 250 | S | 33.2 | Very low | 37.8 | Very low | 104 Ų | 104 | 151.9 Ų | 151.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | -174.6 | 118.2 | 117.7 | -159.7 | 0 | 0 | 0 | 0 | 111 | H252 | S250-H252 PolarHBondContact O-N 3.03Š| |||
| 251 | C | 37.4 | Very low | 38.3 | Very low | 115 Ų | 115 | 156.6 Ų | 156.6 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -62.5 | 124.7 | 164.4 | -61.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 252 | H | 37.9 | Very low | 38.3 | Very low | 174 Ų | 174 | 150.1 Ų | 150.1 | 81% | 0.806 | 80% | 0.804 | S | S | * | * | trans | -164.6 | 128.2 | 145 | -84.1 | -42.4 | 0 | 0 | 0 | 112.7 | S250 | S250-H252 PolarHBondContact O-N 3.03Š| ||
| 253 | R | 33.8 | Very low | 38.6 | Very low | 240 Ų | 240 | 152.4 Ų | 152.4 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | 70.8 | 110.1 | 145.9 | -99.6 | 176.7 | -159.4 | -140.8 | 3.7 | 120.9 | ||||
| 254 | L | 36.8 | Very low | 38.8 | Very low | 154 Ų | 154 | 153.5 Ų | 153.5 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | trans | -55.2 | 157.2 | 143.5 | -70.4 | 163.7 | 0 | 0 | 0 | 110.9 | ||||
| 255 | P | 49.3 | Very low | 38.8 | Very low | 118 Ų | 118 | 149.6 Ų | 149.6 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | -133.7 | 147.5 | 81.6 | 25.4 | -5.9 | 0 | 0 | 0 | 115.5 | |||||
| 256 | L | 40.8 | Very low | 39.2 | Very low | 156 Ų | 156 | 150.4 Ų | 150.4 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | trans | -20.9 | 123.5 | 153.5 | -77.4 | 149.3 | 0 | 0 | 0 | 114.9 | ||||
| 257 | L | 43.6 | Very low | 39 | Very low | 154 Ų | 154 | 151 Ų | 151 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -107.9 | 114.8 | 154.7 | -123.1 | 119.7 | 0 | 0 | 0 | 109.5 | ||||
| 258 | Q | 39.8 | Very low | 38.8 | Very low | 165 Ų | 165 | 148.2 Ų | 148.2 | 77% | 0.771 | 81% | 0.807 | S | S | * | * | trans | -88.5 | 103.7 | 177.4 | 177.3 | 150.4 | -23.9 | 0 | 0 | 107.9 | S260 | Q258-S260 PolarHBondContact O-N 3.08Å; Q258-S260 VanDerWaalsContact O-N 3.08Å | ||
| 259 | E | 36 | Very low | 39.1 | Very low | 181 Ų | 181 | 150.5 Ų | 150.5 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | -78.4 | 94 | 175.1 | -70.8 | -93.4 | 106.4 | 0 | 0 | 108.9 | ||||
| 260 | S | 36.3 | Very low | 39.9 | Very low | 102 Ų | 102 | 150.7 Ų | 150.7 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -83.8 | 120.2 | 174 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | Q258 | Q258-S260 PolarHBondContact O-N 3.08Å; Q258-S260 VanDerWaalsContact O-N 3.08Å | ||
| 261 | R | 45.4 | Very low | 40 | Very low | 228 Ų | 228 | 155 Ų | 155 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | 1.1 | 112.4 | 151.5 | -64.5 | 167.1 | 80.9 | 174.2 | 4.2 | 116 | ||||
| 262 | A | 37.5 | Very low | 40.4 | Very low | 101 Ų | 101 | 153.8 Ų | 153.8 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -86.2 | 109.9 | 153.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 263 | L | 43 | Very low | 40.4 | Very low | 153 Ų | 153 | 153.5 Ų | 153.5 | 80% | 0.801 | 82% | 0.818 | S | S | * | * | trans | -78.3 | 114.6 | 162.1 | -102.7 | 156.8 | 0 | 0 | 0 | 107.4 | A265 | L263-A265 PolarHBondContact O-N 3.5Š| ||
| 264 | V | 42.8 | Very low | 41.1 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -87.7 | 102.6 | 164.8 | 176 | 0 | 0 | 0 | 0 | 107.2 | L266 | V264-L266 HydrophobicContact CG1-CD1 4.43Š| ||
| 265 | A | 39.5 | Very low | 41.4 | Very low | 93 Ų | 93 | 144.4 Ų | 144.4 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -85 | 117.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 108 | L263 | L263-A265 PolarHBondContact O-N 3.5Š| ||
| 266 | L | 42.3 | Very low | 41.1 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | trans | -99.7 | 99 | 164.9 | -100.3 | 152.6 | 0 | 0 | 0 | 107.1 | V264 | V264-L266 HydrophobicContact CG1-CD1 4.43Š| ||
| 267 | E | 37.7 | Very low | 41.8 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -87.2 | 127.1 | 165.7 | -173 | 158.2 | 108.5 | 0 | 0 | 108.3 | ||||
| 268 | A | 34.7 | Very low | 41.9 | Very low | 94 Ų | 94 | 146.8 Ų | 146.8 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | trans | -145.1 | 109.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 269 | R | 39.4 | Very low | 42.2 | Very low | 242 Ų | 242 | 144.3 Ų | 144.3 | 91% | 0.913 | 80% | 0.798 | S | S | * | * | trans | -147.2 | 163.9 | 154.7 | -86.1 | -163.4 | 172.9 | -167.8 | -1.6 | 106.1 | ||||
| 270 | P | 50 | Low | 42.4 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | cis | -136.3 | 172 | 7.3 | 36.4 | -18 | 0 | 0 | 0 | 114.4 | ||||
| 271 | Q | 35.3 | Very low | 43.1 | Very low | 194 Ų | 194 | 139.1 Ų | 139.1 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | -160.2 | 137.4 | 128.8 | -141.1 | 176.8 | -35 | 0 | 0 | 112 | |||||
| 272 | A | 46.3 | Very low | 43.2 | Very low | 91 Ų | 91 | 135.7 Ų | 135.7 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -77.6 | 149.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 273 | D | 38.8 | Very low | 43.7 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -147.5 | 136.1 | 133.8 | -150.8 | -4.9 | 0 | 0 | 0 | 109.8 | ||||
| 274 | G | 48 | Very low | 43.7 | Very low | 54 Ų | 54 | 143.3 Ų | 143.3 | 56% | 0.557 | 80% | 0.802 | S | S | * | * | trans | -100.2 | 142.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 275 | T | 42 | Very low | 43.8 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | trans | -160.1 | 110 | 144.4 | -16.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 276 | R | 43.6 | Very low | 44 | Very low | 219 Ų | 219 | 147.4 Ų | 147.4 | 83% | 0.826 | 81% | 0.808 | S | S | * | * | trans | -98.6 | 157.6 | 147.4 | -133.3 | -159.6 | 171.4 | -161.1 | -1 | 105 | ||||
| 277 | P | 55.1 | Low | 44.1 | Very low | 97 Ų | 97 | 146.4 Ų | 146.4 | 63% | 0.63 | 81% | 0.805 | S | S | * | * | -156.6 | 174.9 | 63 | 43.7 | -23.1 | 0 | 0 | 0 | 117.6 | |||||
| 278 | H | 45.9 | Very low | 44.5 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | trans | 56 | 146.9 | 156.2 | -70 | -72.2 | 0 | 0 | 0 | 118.8 | ||||
| 279 | S | 46.4 | Very low | 45.1 | Very low | 114 Ų | 114 | 147 Ų | 147 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | cis | -158.8 | 146.1 | 22.1 | -157.9 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 280 | G | 40 | Very low | 45.6 | Very low | 59 Ų | 59 | 140.2 Ų | 140.2 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | 93.5 | 114 | 73.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 281 | S | 50.8 | Low | 45.2 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 57.9 | 148.5 | 154.6 | 72.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 282 | E | 47.5 | Very low | 46 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 73% | 0.729 | 79% | 0.787 | S | S | * | * | cis | -158.8 | 159.6 | 36.6 | -68.4 | 179.1 | 87.2 | 0 | 0 | 111.4 | ||||
| 283 | F | 47.9 | Very low | 46 | Very low | 269 Ų | 269 | 141.9 Ų | 141.9 | 100% | 1.18 | 79% | 0.79 | S | S | * | * | trans | 64.5 | 0 | 163.7 | -69.2 | -75 | 0 | 0 | 0 | 120.8 |
Retrieved 283 of 283 residues in 1142.2 ms
(Link to these results)