| 1 | E | 87.3 | Confident | 88.4 | Confident | 166 Ų | 166 | 84.6 Ų | 84.6 | 78% | 0.776 | 43% | 0.426 | S | S | * | . | | | | 0 | -69.6 | 0 | -69.3 | 167.6 | -127.6 | 0 | 0 | 114.1 | K3 G4 F49 Q50 | E1-K3 VanDerWaalsContact C-N 3.32Å; E1-K3 PolarHBondContact O-N 3.37Å; E1-K3 VanDerWaalsContact O-N 3.11Å; E1-G4 WeakPolarHBondContact O-CA 3.44Å; E1-G4 PolarHBondContact O-N 2.91Å; E1-F49 HydrophobicContact CB-CE2 3.9Å; E1-F49 HydrophobicContact CB-CZ 3.7Å; E1-F49 WeakPolarHBondContact OE2-CZ 3.49Å; E1-Q50 PolarHBondContact OE2-NE2 3.32Å |
| 2 | V | 90 | Very high | 88.8 | Confident | 20 Ų | 20 | 78.8 Ų | 78.8 | 12% | 0.121 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -50.8 | -41.3 | -171.2 | 176.9 | 0 | 0 | 0 | 0 | 114.9 | G4 L5 F6 W25 I27 F49 | V2-G4 PolarHBondContact O-N 3.14Å; V2-L5 WeakPolarHBondContact O-CB 3.48Å; V2-L5 PolarHBondContact O-N 3.29Å; V2-F6 HydrophobicContact CG1-CE2 4.22Å; V2-F6 WeakPolarHBondContact O-CD2 3.48Å; V2-W25 HydrophobicContact CB-CD2 4.34Å; V2-W25 HydrophobicContact CB-CZ2 4.47Å; V2-W25 HydrophobicContact CG1-CD2 4.06Å; V2-W25 HydrophobicContact CG1-CE3 4.44Å; V2-W25 HydrophobicContact CG1-CG 4.1Å; V2-W25 HydrophobicContact CG2-CD2 4.27Å; V2-W25 HydrophobicContact CG2-CZ2 3.92Å; V2-I27 HydrophobicContact CG1-CD1 4.45Å; V2-F49 HydrophobicContact CG2-CE1 4.07Å; V2-F49 HydrophobicContact CG2-CZ 4.07Å |
| 3 | K | 89.1 | Confident | 89.1 | Confident | 138 Ų | 138 | 87.2 Ų | 87.2 | 60% | 0.6 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -55.8 | -22.3 | 172.4 | -73.6 | -175.9 | 175.4 | 178.1 | 0 | 114.5 | E1 C17 | E1-K3 VanDerWaalsContact C-N 3.32Å; E1-K3 PolarHBondContact O-N 3.37Å; E1-K3 VanDerWaalsContact O-N 3.11Å; K3-C17 HydrophobicContact CD-CB 4.33Å; K3-C17 HydrophobicContact CG-CB 3.69Å |
| 4 | G | 89.9 | Confident | 89.5 | Confident | 41 Ų | 41 | 83.4 Ų | 83.4 | 42% | 0.423 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -78.8 | -22.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | E1 V2 F6 K7 | E1-G4 WeakPolarHBondContact O-CA 3.44Å; E1-G4 PolarHBondContact O-N 2.91Å; V2-G4 PolarHBondContact O-N 3.14Å; G4-F6 PolarHBondContact O-N 2.73Å; G4-F6 VanDerWaalsContact O-N 3.1Å; G4-K7 PolarHBondContact O-N 3.21Å; G4-K7 VanDerWaalsContact O-N 3.07Å |
| 5 | L | 88.9 | Confident | 89.9 | Confident | 34 Ų | 34 | 84.3 Ų | 84.3 | 18% | 0.178 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -63.9 | -13.3 | 172.3 | -65.9 | 179 | 0 | 0 | 0 | 113.2 | V2 Y41 V46 F49 I54 | V2-L5 WeakPolarHBondContact O-CB 3.48Å; V2-L5 PolarHBondContact O-N 3.29Å; L5-Y41 WeakPolarHBondContact O-CE1 3.09Å; L5-V46 HydrophobicContact CD2-CG1 3.81Å; L5-F49 HydrophobicContact CD1-CB 4.13Å; L5-F49 HydrophobicContact CD1-CD2 3.93Å; L5-F49 HydrophobicContact CD1-CG 3.98Å; L5-F49 HydrophobicContact CD2-CB 4.41Å; L5-F49 HydrophobicContact CD2-CD2 3.79Å; L5-F49 HydrophobicContact CD2-CG 4.42Å; L5-F49 HydrophobicContact CG-CD2 4.09Å; L5-I54 HydrophobicContact CD1-CD1 3.94Å |
| 6 | F | 90.4 | Very high | 90.1 | Very high | 18 Ų | 18 | 81.9 Ų | 81.9 | 8% | 0.079 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -115.6 | 18.6 | 179.4 | -48.9 | -91.3 | 0 | 0 | 0 | 111.5 | V2 G4 V14 I27 F29 L42 | V2-F6 HydrophobicContact CG1-CE2 4.22Å; V2-F6 WeakPolarHBondContact O-CD2 3.48Å; G4-F6 PolarHBondContact O-N 2.73Å; G4-F6 VanDerWaalsContact O-N 3.1Å; F6-V14 HydrophobicContact CB-CG2 3.41Å; F6-V14 VanDerWaalsContact CB-CG2 3.41Å; F6-V14 HydrophobicContact CD1-CG2 4.06Å; F6-V14 HydrophobicContact CD2-CG2 4.16Å; F6-V14 HydrophobicContact CG-CG2 3.63Å; F6-I27 HydrophobicContact CD1-CG2 4.49Å; F6-I27 HydrophobicContact CE1-CG1 4.43Å; F6-I27 HydrophobicContact CE1-CG2 4.16Å; F6-I27 HydrophobicContact CE2-CD1 3.97Å; F6-I27 HydrophobicContact CE2-CG1 4.05Å; F6-I27 HydrophobicContact CE2-CG2 4.33Å; F6-I27 HydrophobicContact CZ-CB 4.37Å; F6-I27 HydrophobicContact CZ-CD1 4.15Å; F6-I27 HydrophobicContact CZ-CG1 3.7Å; F6-I27 HydrophobicContact CZ-CG2 4.09Å; F6-F29 HydrophobicContact CD1-CE1 4.33Å; F6-F29 AromaticContact CD1-CZ 3.74Å; F6-F29 HydrophobicContact CD1-CZ 3.74Å; F6-F29 AromaticContact CE1-CZ 3.93Å; F6-F29 HydrophobicContact CE1-CZ 3.93Å; F6-L42 HydrophobicContact CD1-CD1 3.87Å; F6-L42 HydrophobicContact CE1-CD1 3.37Å; F6-L42 HydrophobicContact CE1-CD2 3.87Å; F6-L42 HydrophobicContact CE1-CG 4.28Å; F6-L42 HydrophobicContact CZ-CD1 3.95Å; F6-L42 HydrophobicContact CZ-CD2 3.83Å |
| 7 | K | 88.4 | Confident | 90.4 | Very high | 180 Ų | 180 | 78.2 Ų | 78.2 | 78% | 0.783 | 40% | 0.397 | S | S | * | . | | | trans | -104.1 | 65.9 | 173.1 | -72.9 | -170.7 | 174.1 | -165.5 | 0 | 110 | G4 | G4-K7 PolarHBondContact O-N 3.21Å; G4-K7 VanDerWaalsContact O-N 3.07Å |
| 8 | S | 86.9 | Confident | 90.6 | Very high | 32 Ų | 32 | 80.8 Ų | 80.8 | 22% | 0.224 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -139.3 | 153.9 | 176.1 | 56.8 | 0 | 0 | 0 | 0 | 109.2 | N10 C11 Y41 | S8-N10 VanDerWaalsContact C-N 3.25Å; S8-N10 PolarHBondContact O-N 3.46Å; S8-C11 PolarHBondContact O-N 3.31Å; S8-C11 VanDerWaalsContact O-N 3.1Å; S8-C11 VanDerWaalsContact O-O 3.13Å; S8-C11 WeakPolarHBondContact OG-CB 3.42Å; S8-Y41 VanDerWaalsContact CB-OH 3.26Å; S8-Y41 WeakPolarHBondContact CB-OH 3.24Å; S8-Y41 VanDerWaalsContact OG-CE1 3.27Å; S8-Y41 WeakPolarHBondContact OG-CE1 3.33Å; S8-Y41 WeakPolarHBondContact OG-CE2 3.14Å; S8-Y41 PolarHBondContact OG-OH 3.11Å |
| 9 | E | 86.9 | Confident | 90.9 | Very high | 199 Ų | 199 | 81.8 Ų | 81.8 | 93% | 0.93 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -30.1 | -177.2 | -58.8 | -176.9 | 163.3 | 0 | 0 | 111.9 | C11 | E9-C11 VanDerWaalsContact C-N 3.27Å; E9-C11 PolarHBondContact O-N 3.48Å |
| 10 | N | 85.3 | Confident | 90.6 | Very high | 91 Ų | 91 | 79.1 Ų | 79.1 | 49% | 0.487 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -9.5 | 175.1 | -63.6 | -9.7 | 0 | 0 | 0 | 113.7 | S8 Q37 Y41 E45 | S8-N10 VanDerWaalsContact C-N 3.25Å; S8-N10 PolarHBondContact O-N 3.46Å; N10-Q37 PolarHBondContact O-NE2 3.41Å; N10-Y41 HydrophobicContact CB-CD2 3.72Å; N10-Y41 HydrophobicContact CB-CE2 3.83Å; N10-E45 PolarHBondContact ND2-OE1 3.07Å |
| 11 | C | 89.4 | Confident | 90.5 | Very high | 12 Ų | 12 | 81.5 Ų | 81.5 | 8% | 0.081 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -110.4 | 127.4 | -178.3 | -175.5 | 0 | 0 | 0 | 0 | 111.9 | S8 E9 Y41 | S8-C11 PolarHBondContact O-N 3.31Å; S8-C11 VanDerWaalsContact O-N 3.1Å; S8-C11 VanDerWaalsContact O-O 3.13Å; S8-C11 WeakPolarHBondContact OG-CB 3.42Å; E9-C11 VanDerWaalsContact C-N 3.27Å; E9-C11 PolarHBondContact O-N 3.48Å; C11-Y41 HydrophobicContact CB-CD1 3.89Å; C11-Y41 HydrophobicContact CB-CE1 4.25Å; C11-Y41 HydrophobicContact CB-CG 4.08Å |
| 12 | P | 92.4 | Very high | 90.6 | Very high | 15 Ų | 15 | 80.7 Ų | 80.7 | 10% | 0.097 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 159.2 | 177.4 | 27.2 | -33.7 | 0 | 0 | 0 | 112.6 | V14 F29 D34 Q37 A38 | P12-V14 PolarHBondContact O-N 3.32Å; P12-F29 HydrophobicContact CG-CD1 4.2Å; P12-F29 HydrophobicContact CG-CE1 4.39Å; P12-F29 WeakPolarHBondContact O-CE1 3.42Å; P12-D34 HydrophobicContact CB-CB 3.79Å; P12-D34 VanDerWaalsContact CB-OD1 3.25Å; P12-D34 WeakPolarHBondContact CB-OD1 3.34Å; P12-D34 HydrophobicContact CG-CB 3.68Å; P12-D34 WeakPolarHBondContact CG-O 3.32Å; P12-Q37 HydrophobicContact CG-CB 4.22Å; P12-Q37 HydrophobicContact CG-CG 4.45Å; P12-A38 HydrophobicContact CG-CB 4.18Å |
| 13 | K | 93.5 | Very high | 90.6 | Very high | 187 Ų | 187 | 84.8 Ų | 84.8 | 81% | 0.813 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -68.6 | 121.3 | -171.6 | -171.9 | 177.8 | -179.3 | -179.9 | 0 | 112.3 | | |
| 14 | V | 94.9 | Very high | 90.8 | Very high | 34 Ų | 34 | 81.7 Ų | 81.7 | 21% | 0.206 | 43% | 0.43 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 131.1 | 172.2 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | F6 P12 S16 C17 I27 F29 | F6-V14 HydrophobicContact CB-CG2 3.41Å; F6-V14 VanDerWaalsContact CB-CG2 3.41Å; F6-V14 HydrophobicContact CD1-CG2 4.06Å; F6-V14 HydrophobicContact CD2-CG2 4.16Å; F6-V14 HydrophobicContact CG-CG2 3.63Å; P12-V14 PolarHBondContact O-N 3.32Å; V14-S16 WeakPolarHBondContact CG1-O 3.39Å; V14-C17 HydrophobicContact CG1-CB 4.19Å; V14-I27 HydrophobicContact CB-CG2 4.39Å; V14-I27 HydrophobicContact CG1-CG2 3.75Å; V14-I27 HydrophobicContact CG2-CG2 3.72Å; V14-F29 HydrophobicContact CB-CE1 4.44Å; V14-F29 HydrophobicContact CG2-CD1 4.32Å; V14-F29 HydrophobicContact CG2-CE1 3.53Å; V14-F29 HydrophobicContact CG2-CZ 3.84Å |
| 15 | I | 95.2 | Very high | 91.1 | Very high | 98 Ų | 98 | 85 Ų | 85 | 50% | 0.503 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -82.6 | -54.6 | 169.1 | -64.6 | -175.6 | 0 | 0 | 0 | 110.1 | T28 Q30 | I15-T28 WeakPolarHBondContact CB-O 3.28Å; I15-T28 PolarHBondContact N-O 2.72Å; I15-Q30 HydrophobicContact CD1-CB 3.94Å; I15-Q30 HydrophobicContact CD1-CG 4.49Å |
| 16 | S | 93.7 | Very high | 91.3 | Very high | 46 Ų | 46 | 88.4 Ų | 88.4 | 32% | 0.322 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 151.1 | 179.2 | 76.4 | 0 | 0 | 0 | 0 | 112.1 | V14 I27 T28 | V14-S16 WeakPolarHBondContact CG1-O 3.39Å; S16-I27 WeakPolarHBondContact O-CA 3.16Å; S16-T28 PolarHBondContact N-O 3.39Å; S16-T28 PolarHBondContact O-N 3.4Å; S16-T28 WeakPolarHBondContact OG-CB 3.38Å; S16-T28 PolarHBondContact OG-OG1 3.16Å |
| 17 | C | 94.4 | Very high | 91.6 | Very high | 19 Ų | 19 | 89.5 Ų | 89.5 | 13% | 0.128 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 101.2 | 175.8 | 161.6 | 0 | 0 | 0 | 0 | 106.4 | K3 V14 Y26 I27 | K3-C17 HydrophobicContact CD-CB 4.33Å; K3-C17 HydrophobicContact CG-CB 3.69Å; V14-C17 HydrophobicContact CG1-CB 4.19Å; C17-Y26 WeakPolarHBondContact CA-O 3.33Å; C17-I27 HydrophobicContact CB-CD1 3.71Å; C17-I27 WeakPolarHBondContact SG-CD1 3.41Å |
| 18 | E | 94.9 | Very high | 91.9 | Very high | 124 Ų | 124 | 84.2 Ų | 84.2 | 58% | 0.579 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142.9 | -173.4 | -177.2 | 175.8 | -153 | 0 | 0 | 109.9 | W25 Y26 | E18-W25 CarbonylContact O-C 3.55Å; E18-W25 WeakPolarHBondContact O-CA 3.33Å; E18-Y26 PolarHBondContact N-O 3.45Å; E18-Y26 PolarHBondContact O-N 3.26Å |
| 19 | F | 94.6 | Very high | 92.2 | Very high | 101 Ų | 101 | 83.9 Ų | 83.9 | 44% | 0.443 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123.4 | 177.3 | 179.3 | -113.6 | 0 | 0 | 0 | 110.2 | H21 W25 | F19-H21 HydrophobicContact CE1-CB 4.48Å; F19-W25 HydrophobicContact CB-CE3 4.09Å; F19-W25 HydrophobicContact CB-CH2 4.17Å; F19-W25 HydrophobicContact CB-CZ3 3.86Å; F19-W25 HydrophobicContact CD2-CD2 4.09Å; F19-W25 AromaticContact CD2-CE2 3.74Å; F19-W25 HydrophobicContact CD2-CE3 4.39Å; F19-W25 HydrophobicContact CD2-CH2 4.1Å; F19-W25 AromaticContact CD2-CZ2 3.76Å; F19-W25 HydrophobicContact CD2-CZ2 3.76Å; F19-W25 HydrophobicContact CD2-CZ3 4.4Å; F19-W25 HydrophobicContact CE2-CZ2 4.41Å; F19-W25 HydrophobicContact CG-CH2 4.5Å |
| 20 | A | 86.1 | Confident | 92.6 | Very high | 26 Ų | 26 | 81.6 Ų | 81.6 | 22% | 0.215 | 41% | 0.414 | C | S | . | . | | | trans | -105 | 17 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | N24 Y26 | A20-N24 HydrophobicContact CB-CB 4.07Å; A20-N24 PolarHBondContact N-O 3.37Å; A20-Y26 HydrophobicContact CB-CD1 4.23Å; A20-Y26 HydrophobicContact CB-CD2 3.67Å; A20-Y26 HydrophobicContact CB-CE1 4.16Å; A20-Y26 HydrophobicContact CB-CE2 3.6Å; A20-Y26 HydrophobicContact CB-CG 3.99Å |
| 21 | H | 87.6 | Confident | 93 | Very high | 130 Ų | 130 | 79.4 Ų | 79.4 | 60% | 0.602 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 64.3 | 167.9 | -170.5 | -54 | -87 | 0 | 0 | 0 | 115 | F19 S23 N24 | F19-H21 HydrophobicContact CE1-CB 4.48Å; H21-S23 VanDerWaalsContact C-N 3.27Å; H21-S23 PolarHBondContact O-N 3.07Å; H21-N24 VanDerWaalsContact O-CB 3.32Å; H21-N24 WeakPolarHBondContact O-CB 3.45Å; H21-N24 PolarHBondContact O-N 3.38Å; H21-N24 PolarHBondContact O-ND2 3.22Å; H21-N24 VanDerWaalsContact O-ND2 3.07Å |
| 22 | N | 90.8 | Very high | 93.3 | Very high | 149 Ų | 149 | 84.1 Ų | 84.1 | 80% | 0.797 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 40.8 | -179.7 | -57.9 | -8.4 | 0 | 0 | 0 | 113.7 | N24 | N22-N24 PolarHBondContact O-N 3.35Å; N22-N24 VanDerWaalsContact O-N 3.1Å; N22-N24 PolarHBondContact O-ND2 3.31Å |
| 23 | S | 89.6 | Confident | 93.4 | Very high | 106 Ų | 106 | 87.6 Ų | 87.6 | 74% | 0.741 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 9.9 | -174.2 | -56.2 | 0 | 0 | 0 | 0 | 115.9 | H21 | H21-S23 VanDerWaalsContact C-N 3.27Å; H21-S23 PolarHBondContact O-N 3.07Å |
| 24 | N | 93.4 | Very high | 93.5 | Very high | 74 Ų | 74 | 80.6 Ų | 80.6 | 40% | 0.396 | 42% | 0.423 | S | S | . | . | | | trans | -83.8 | 149.7 | 173.5 | -59.8 | -91.4 | 0 | 0 | 0 | 110.8 | A20 H21 N22 | A20-N24 HydrophobicContact CB-CB 4.07Å; A20-N24 PolarHBondContact N-O 3.37Å; H21-N24 VanDerWaalsContact O-CB 3.32Å; H21-N24 WeakPolarHBondContact O-CB 3.45Å; H21-N24 PolarHBondContact O-N 3.38Å; H21-N24 PolarHBondContact O-ND2 3.22Å; H21-N24 VanDerWaalsContact O-ND2 3.07Å; N22-N24 PolarHBondContact O-N 3.35Å; N22-N24 VanDerWaalsContact O-N 3.1Å; N22-N24 PolarHBondContact O-ND2 3.31Å |
| 25 | W | 94.8 | Very high | 93.5 | Very high | 110 Ų | 110 | 80.3 Ų | 80.3 | 42% | 0.417 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 138.7 | 174.9 | -63.6 | 80.7 | 0 | 0 | 0 | 109.3 | V2 E18 F19 I27 | V2-W25 HydrophobicContact CB-CD2 4.34Å; V2-W25 HydrophobicContact CB-CZ2 4.47Å; V2-W25 HydrophobicContact CG1-CD2 4.06Å; V2-W25 HydrophobicContact CG1-CE3 4.44Å; V2-W25 HydrophobicContact CG1-CG 4.1Å; V2-W25 HydrophobicContact CG2-CD2 4.27Å; V2-W25 HydrophobicContact CG2-CZ2 3.92Å; E18-W25 CarbonylContact O-C 3.55Å; E18-W25 WeakPolarHBondContact O-CA 3.33Å; F19-W25 HydrophobicContact CB-CE3 4.09Å; F19-W25 HydrophobicContact CB-CH2 4.17Å; F19-W25 HydrophobicContact CB-CZ3 3.86Å; F19-W25 HydrophobicContact CD2-CD2 4.09Å; F19-W25 AromaticContact CD2-CE2 3.74Å; F19-W25 HydrophobicContact CD2-CE3 4.39Å; F19-W25 HydrophobicContact CD2-CH2 4.1Å; F19-W25 AromaticContact CD2-CZ2 3.76Å; F19-W25 HydrophobicContact CD2-CZ2 3.76Å; F19-W25 HydrophobicContact CD2-CZ3 4.4Å; F19-W25 HydrophobicContact CE2-CZ2 4.41Å; F19-W25 HydrophobicContact CG-CH2 4.5Å; W25-I27 HydrophobicContact CB-CD1 3.95Å |
| 26 | Y | 94.9 | Very high | 93.5 | Very high | 106 Ų | 106 | 80.3 Ų | 80.3 | 42% | 0.416 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 118.7 | 167.4 | -66.9 | -35.3 | 0 | 0 | 0 | 108.8 | C17 E18 A20 K59 | C17-Y26 WeakPolarHBondContact CA-O 3.33Å; E18-Y26 PolarHBondContact N-O 3.45Å; E18-Y26 PolarHBondContact O-N 3.26Å; A20-Y26 HydrophobicContact CB-CD1 4.23Å; A20-Y26 HydrophobicContact CB-CD2 3.67Å; A20-Y26 HydrophobicContact CB-CE1 4.16Å; A20-Y26 HydrophobicContact CB-CE2 3.6Å; A20-Y26 HydrophobicContact CB-CG 3.99Å; Y26-K59 HydrophobicContact CD1-CD 3.99Å; Y26-K59 HydrophobicContact CE1-CD 3.69Å; Y26-K59 VanDerWaalsContact CE2-NZ 3.33Å; Y26-K59 VanDerWaalsContact CZ-NZ 3.28Å |
| 27 | I | 95.1 | Very high | 93.6 | Very high | 41 Ų | 41 | 82.3 Ų | 82.3 | 21% | 0.21 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 125.8 | 179.2 | -42.6 | -62.8 | 0 | 0 | 0 | 107 | V2 F6 V14 S16 C17 W25 F29 | V2-I27 HydrophobicContact CG1-CD1 4.45Å; F6-I27 HydrophobicContact CD1-CG2 4.49Å; F6-I27 HydrophobicContact CE1-CG1 4.43Å; F6-I27 HydrophobicContact CE1-CG2 4.16Å; F6-I27 HydrophobicContact CE2-CD1 3.97Å; F6-I27 HydrophobicContact CE2-CG1 4.05Å; F6-I27 HydrophobicContact CE2-CG2 4.33Å; F6-I27 HydrophobicContact CZ-CB 4.37Å; F6-I27 HydrophobicContact CZ-CD1 4.15Å; F6-I27 HydrophobicContact CZ-CG1 3.7Å; F6-I27 HydrophobicContact CZ-CG2 4.09Å; V14-I27 HydrophobicContact CB-CG2 4.39Å; V14-I27 HydrophobicContact CG1-CG2 3.75Å; V14-I27 HydrophobicContact CG2-CG2 3.72Å; S16-I27 WeakPolarHBondContact O-CA 3.16Å; C17-I27 HydrophobicContact CB-CD1 3.71Å; C17-I27 WeakPolarHBondContact SG-CD1 3.41Å; W25-I27 HydrophobicContact CB-CD1 3.95Å; I27-F29 HydrophobicContact CB-CE2 4.09Å; I27-F29 HydrophobicContact CG2-CD2 4.42Å; I27-F29 HydrophobicContact CG2-CE1 4.46Å; I27-F29 HydrophobicContact CG2-CE2 3.57Å; I27-F29 HydrophobicContact CG2-CZ 3.59Å |
| 28 | T | 94.6 | Very high | 93.6 | Very high | 69 Ų | 69 | 81.5 Ų | 81.5 | 42% | 0.423 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 135.7 | -179.4 | -54.6 | 0 | 0 | 0 | 0 | 109.6 | I15 S16 | I15-T28 WeakPolarHBondContact CB-O 3.28Å; I15-T28 PolarHBondContact N-O 2.72Å; S16-T28 PolarHBondContact N-O 3.39Å; S16-T28 PolarHBondContact O-N 3.4Å; S16-T28 WeakPolarHBondContact OG-CB 3.38Å; S16-T28 PolarHBondContact OG-OG1 3.16Å |
| 29 | F | 95.1 | Very high | 93.6 | Very high | 25 Ų | 25 | 78 Ų | 78 | 11% | 0.11 | 40% | 0.403 | C | S | . | . | | | trans | -117 | 172.6 | 178.7 | -61.8 | -90.3 | 0 | 0 | 0 | 110.6 | F6 P12 V14 I27 D34 A35 A38 | F6-F29 HydrophobicContact CD1-CE1 4.33Å; F6-F29 AromaticContact CD1-CZ 3.74Å; F6-F29 HydrophobicContact CD1-CZ 3.74Å; F6-F29 AromaticContact CE1-CZ 3.93Å; F6-F29 HydrophobicContact CE1-CZ 3.93Å; P12-F29 HydrophobicContact CG-CD1 4.2Å; P12-F29 HydrophobicContact CG-CE1 4.39Å; P12-F29 WeakPolarHBondContact O-CE1 3.42Å; V14-F29 HydrophobicContact CB-CE1 4.44Å; V14-F29 HydrophobicContact CG2-CD1 4.32Å; V14-F29 HydrophobicContact CG2-CE1 3.53Å; V14-F29 HydrophobicContact CG2-CZ 3.84Å; I27-F29 HydrophobicContact CB-CE2 4.09Å; I27-F29 HydrophobicContact CG2-CD2 4.42Å; I27-F29 HydrophobicContact CG2-CE1 4.46Å; I27-F29 HydrophobicContact CG2-CE2 3.57Å; I27-F29 HydrophobicContact CG2-CZ 3.59Å; F29-D34 HydrophobicContact CB-CB 3.63Å; F29-D34 HydrophobicContact CD1-CB 4.34Å; F29-D34 HydrophobicContact CG-CB 4.22Å; F29-A35 HydrophobicContact CB-CB 4.39Å; F29-A35 HydrophobicContact CD2-CB 3.93Å; F29-A35 HydrophobicContact CG-CB 4.46Å; F29-A38 HydrophobicContact CD1-CB 4.34Å; F29-A38 HydrophobicContact CE1-CB 3.56Å; F29-A38 HydrophobicContact CE2-CB 3.8Å; F29-A38 HydrophobicContact CZ-CB 3.25Å |
| 30 | Q | 94.9 | Very high | 93.6 | Very high | 151 Ų | 151 | 79 Ų | 79 | 71% | 0.706 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -74.1 | -32.4 | -175.4 | -173.4 | 57.4 | 85.2 | 0 | 0 | 113.4 | I15 | I15-Q30 HydrophobicContact CD1-CB 3.94Å; I15-Q30 HydrophobicContact CD1-CG 4.49Å |
| 31 | S | 94.1 | Very high | 94 | Very high | 45 Ų | 45 | 79.6 Ų | 79.6 | 32% | 0.315 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -131.6 | 169.3 | 174 | 68.3 | 0 | 0 | 0 | 0 | 112.6 | T33 D34 A35 | S31-T33 VanDerWaalsContact C-N 3.31Å; S31-T33 PolarHBondContact OG-N 3.26Å; S31-D34 WeakPolarHBondContact CB-OD2 3.34Å; S31-D34 PolarHBondContact N-OD2 3.31Å; S31-D34 PolarHBondContact OG-N 3.47Å; S31-D34 PolarHBondContact OG-OD2 3.34Å; S31-A35 PolarHBondContact O-N 2.89Å |
| 32 | D | 94.1 | Very high | 94.3 | Very high | 110 Ų | 110 | 74.4 Ų | 74.4 | 59% | 0.588 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -67.3 | -32.5 | 168.3 | 65.5 | -30.5 | 0 | 0 | 0 | 112.3 | A35 Q36 | D32-A35 PolarHBondContact O-N 2.98Å; D32-Q36 WeakPolarHBondContact O-CG 3.37Å; D32-Q36 PolarHBondContact O-N 3.28Å; D32-Q36 PolarHBondContact O-NE2 3.43Å |
| 33 | T | 95.4 | Very high | 94.3 | Very high | 89 Ų | 89 | 74.9 Ų | 74.9 | 55% | 0.546 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 174.9 | -60 | 0 | 0 | 0 | 0 | 110.6 | S31 A35 Q36 Q37 | S31-T33 VanDerWaalsContact C-N 3.31Å; S31-T33 PolarHBondContact OG-N 3.26Å; T33-A35 VanDerWaalsContact C-N 3.34Å; T33-A35 PolarHBondContact O-N 2.73Å; T33-Q36 WeakPolarHBondContact O-CB 3.48Å; T33-Q36 PolarHBondContact O-N 2.94Å; T33-Q37 PolarHBondContact O-N 3.31Å |
| 34 | D | 95.4 | Very high | 94.3 | Very high | 40 Ų | 40 | 75.6 Ų | 75.6 | 21% | 0.214 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59 | -46.7 | 172.9 | -64.5 | -55.6 | 0 | 0 | 0 | 111.2 | P12 F29 S31 Q36 Q37 A38 | P12-D34 HydrophobicContact CB-CB 3.79Å; P12-D34 VanDerWaalsContact CB-OD1 3.25Å; P12-D34 WeakPolarHBondContact CB-OD1 3.34Å; P12-D34 HydrophobicContact CG-CB 3.68Å; P12-D34 WeakPolarHBondContact CG-O 3.32Å; F29-D34 HydrophobicContact CB-CB 3.63Å; F29-D34 HydrophobicContact CD1-CB 4.34Å; F29-D34 HydrophobicContact CG-CB 4.22Å; S31-D34 WeakPolarHBondContact CB-OD2 3.34Å; S31-D34 PolarHBondContact N-OD2 3.31Å; S31-D34 PolarHBondContact OG-N 3.47Å; S31-D34 PolarHBondContact OG-OD2 3.34Å; D34-Q36 VanDerWaalsContact C-N 3.25Å; D34-Q36 PolarHBondContact O-N 3.18Å; D34-Q37 PolarHBondContact O-N 3.13Å; D34-A38 WeakPolarHBondContact O-CB 3.45Å; D34-A38 PolarHBondContact O-N 2.91Å |
| 35 | A | 94.8 | Very high | 94 | Very high | 27 Ų | 27 | 76.9 Ų | 76.9 | 22% | 0.223 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.6 | -32.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | F29 S31 D32 T33 F39 | F29-A35 HydrophobicContact CB-CB 4.39Å; F29-A35 HydrophobicContact CD2-CB 3.93Å; F29-A35 HydrophobicContact CG-CB 4.46Å; S31-A35 PolarHBondContact O-N 2.89Å; D32-A35 PolarHBondContact O-N 2.98Å; T33-A35 VanDerWaalsContact C-N 3.34Å; T33-A35 PolarHBondContact O-N 2.73Å; A35-F39 WeakPolarHBondContact O-CB 3.39Å; A35-F39 PolarHBondContact O-N 3.3Å |
| 36 | Q | 95.3 | Very high | 93.7 | Very high | 98 Ų | 98 | 72.8 Ų | 72.8 | 46% | 0.458 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.7 | -43.3 | 172.7 | -75.9 | 175.8 | 69.4 | 0 | 0 | 112.5 | D32 T33 D34 F39 K40 I58 | D32-Q36 WeakPolarHBondContact O-CG 3.37Å; D32-Q36 PolarHBondContact O-N 3.28Å; D32-Q36 PolarHBondContact O-NE2 3.43Å; T33-Q36 WeakPolarHBondContact O-CB 3.48Å; T33-Q36 PolarHBondContact O-N 2.94Å; D34-Q36 VanDerWaalsContact C-N 3.25Å; D34-Q36 PolarHBondContact O-N 3.18Å; Q36-F39 PolarHBondContact O-N 3.16Å; Q36-K40 PolarHBondContact O-N 2.98Å; Q36-I58 HydrophobicContact CG-CD1 3.82Å |
| 37 | Q | 95.2 | Very high | 93.4 | Very high | 89 Ų | 89 | 73.4 Ų | 73.4 | 42% | 0.416 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.9 | -48.5 | 176.7 | -179.6 | 177.1 | -19.4 | 0 | 0 | 111.1 | N10 P12 T33 D34 F39 K40 Y41 | N10-Q37 PolarHBondContact O-NE2 3.41Å; P12-Q37 HydrophobicContact CG-CB 4.22Å; P12-Q37 HydrophobicContact CG-CG 4.45Å; T33-Q37 PolarHBondContact O-N 3.31Å; D34-Q37 PolarHBondContact O-N 3.13Å; Q37-F39 VanDerWaalsContact C-N 3.28Å; Q37-F39 PolarHBondContact O-N 3.26Å; Q37-K40 PolarHBondContact O-N 3.1Å; Q37-Y41 PolarHBondContact O-N 2.88Å |
| 38 | A | 95 | Very high | 93.1 | Very high | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.008 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.4 | -35.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P12 F29 D34 Y41 L42 | P12-A38 HydrophobicContact CG-CB 4.18Å; F29-A38 HydrophobicContact CD1-CB 4.34Å; F29-A38 HydrophobicContact CE1-CB 3.56Å; F29-A38 HydrophobicContact CE2-CB 3.8Å; F29-A38 HydrophobicContact CZ-CB 3.25Å; D34-A38 WeakPolarHBondContact O-CB 3.45Å; D34-A38 PolarHBondContact O-N 2.91Å; A38-Y41 PolarHBondContact O-N 3.09Å; A38-L42 WeakPolarHBondContact O-CD1 3.19Å; A38-L42 PolarHBondContact O-N 2.93Å |
| 39 | F | 95.2 | Very high | 93 | Very high | 50 Ų | 50 | 74.4 Ų | 74.4 | 22% | 0.219 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.2 | -38.4 | 175.3 | 175.7 | -114.1 | 0 | 0 | 0 | 113 | A35 Q36 Q37 R43 A56 I58 | A35-F39 WeakPolarHBondContact O-CB 3.39Å; A35-F39 PolarHBondContact O-N 3.3Å; Q36-F39 PolarHBondContact O-N 3.16Å; Q37-F39 VanDerWaalsContact C-N 3.28Å; Q37-F39 PolarHBondContact O-N 3.26Å; F39-R43 HydrophobicContact CE2-CG 4.41Å; F39-R43 WeakPolarHBondContact O-CG 3.27Å; F39-R43 PolarHBondContact O-N 3.22Å; F39-A56 HydrophobicContact CD2-CB 3.92Å; F39-A56 HydrophobicContact CE2-CB 3.95Å; F39-I58 HydrophobicContact CB-CD1 4.02Å; F39-I58 HydrophobicContact CB-CG1 3.9Å; F39-I58 HydrophobicContact CD1-CD1 3.66Å; F39-I58 HydrophobicContact CD1-CG1 3.82Å; F39-I58 HydrophobicContact CD2-CG1 4.03Å; F39-I58 HydrophobicContact CE1-CD1 4.29Å; F39-I58 HydrophobicContact CE1-CG1 4.31Å; F39-I58 HydrophobicContact CG-CD1 3.9Å; F39-I58 HydrophobicContact CG-CG1 3.64Å |
| 40 | K | 94.1 | Very high | 92.7 | Very high | 124 Ų | 124 | 79.1 Ų | 79.1 | 54% | 0.539 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -51.8 | 170.5 | -71.2 | -174.2 | -180 | -173.3 | 0 | 110.9 | Q36 Q37 L42 R43 E44 | Q36-K40 PolarHBondContact O-N 2.98Å; Q37-K40 PolarHBondContact O-N 3.1Å; K40-L42 VanDerWaalsContact C-N 3.26Å; K40-L42 PolarHBondContact O-N 2.82Å; K40-R43 CarbonylContact O-C 3.59Å; K40-R43 WeakPolarHBondContact O-CA 3.41Å; K40-R43 PolarHBondContact O-N 3.11Å; K40-E44 WeakPolarHBondContact O-CB 3.45Å; K40-E44 PolarHBondContact O-N 3.02Å |
| 41 | Y | 94.4 | Very high | 92.5 | Very high | 37 Ų | 37 | 75.5 Ų | 75.5 | 15% | 0.145 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -50.1 | -44.6 | 178 | -177.1 | -98 | 0 | 0 | 0 | 112.6 | L5 S8 N10 C11 Q37 A38 R43 E45 V46 | L5-Y41 WeakPolarHBondContact O-CE1 3.09Å; S8-Y41 VanDerWaalsContact CB-OH 3.26Å; S8-Y41 WeakPolarHBondContact CB-OH 3.24Å; S8-Y41 VanDerWaalsContact OG-CE1 3.27Å; S8-Y41 WeakPolarHBondContact OG-CE1 3.33Å; S8-Y41 WeakPolarHBondContact OG-CE2 3.14Å; S8-Y41 PolarHBondContact OG-OH 3.11Å; N10-Y41 HydrophobicContact CB-CD2 3.72Å; N10-Y41 HydrophobicContact CB-CE2 3.83Å; C11-Y41 HydrophobicContact CB-CD1 3.89Å; C11-Y41 HydrophobicContact CB-CE1 4.25Å; C11-Y41 HydrophobicContact CB-CG 4.08Å; Q37-Y41 PolarHBondContact O-N 2.88Å; A38-Y41 PolarHBondContact O-N 3.09Å; Y41-R43 VanDerWaalsContact C-N 3.32Å; Y41-R43 PolarHBondContact O-N 3.07Å; Y41-E45 HydrophobicContact CD2-CB 4.01Å; Y41-E45 HydrophobicContact CD2-CG 4.09Å; Y41-E45 WeakPolarHBondContact CD2-OE1 3.2Å; Y41-E45 HydrophobicContact CE2-CB 3.74Å; Y41-E45 HydrophobicContact CE2-CG 3.99Å; Y41-E45 VanDerWaalsContact CE2-OE1 3.24Å; Y41-E45 WeakPolarHBondContact CE2-OE1 3.26Å; Y41-E45 WeakPolarHBondContact CE2-OE2 3.35Å; Y41-E45 PolarHBondContact O-N 3.1Å; Y41-V46 HydrophobicContact CD1-CG2 3.72Å; Y41-V46 HydrophobicContact CE1-CG2 3.3Å; Y41-V46 PolarHBondContact O-N 3.06Å; Y41-V46 VanDerWaalsContact O-N 3.07Å |
| 42 | L | 94.1 | Very high | 92.5 | Very high | 21 Ų | 21 | 80.1 Ų | 80.1 | 11% | 0.11 | 40% | 0.402 | C | S | . | . | I | π-helix | trans | -64 | -31.1 | 176.9 | -101.7 | 65 | 0 | 0 | 0 | 114.3 | F6 A38 K40 V46 K47 A56 | F6-L42 HydrophobicContact CD1-CD1 3.87Å; F6-L42 HydrophobicContact CE1-CD1 3.37Å; F6-L42 HydrophobicContact CE1-CD2 3.87Å; F6-L42 HydrophobicContact CE1-CG 4.28Å; F6-L42 HydrophobicContact CZ-CD1 3.95Å; F6-L42 HydrophobicContact CZ-CD2 3.83Å; A38-L42 WeakPolarHBondContact O-CD1 3.19Å; A38-L42 PolarHBondContact O-N 2.93Å; K40-L42 VanDerWaalsContact C-N 3.26Å; K40-L42 PolarHBondContact O-N 2.82Å; L42-V46 HydrophobicContact CD1-CG2 4.21Å; L42-V46 HydrophobicContact CG-CG2 4.46Å; L42-K47 PolarHBondContact O-N 2.68Å; L42-A56 HydrophobicContact CB-CB 4.39Å; L42-A56 HydrophobicContact CD2-CB 4.06Å |
| 43 | R | 91.1 | Very high | 92.5 | Very high | 159 Ų | 159 | 80.3 Ų | 80.3 | 60% | 0.6 | 41% | 0.409 | S | S | * | . | I | π-helix | trans | -92.1 | -28.6 | -178.2 | -68.3 | -171.6 | 67.7 | 155.6 | 3.6 | 113.7 | F39 K40 Y41 K47 | F39-R43 HydrophobicContact CE2-CG 4.41Å; F39-R43 WeakPolarHBondContact O-CG 3.27Å; F39-R43 PolarHBondContact O-N 3.22Å; K40-R43 CarbonylContact O-C 3.59Å; K40-R43 WeakPolarHBondContact O-CA 3.41Å; K40-R43 PolarHBondContact O-N 3.11Å; Y41-R43 VanDerWaalsContact C-N 3.32Å; Y41-R43 PolarHBondContact O-N 3.07Å; R43-K47 WeakPolarHBondContact O-CE 3.35Å; R43-K47 WeakPolarHBondContact O-CG 3.32Å |
| 44 | E | 89.9 | Confident | 92.4 | Very high | 122 Ų | 122 | 78.9 Ų | 78.9 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | I | π-helix | trans | -101.1 | -40.1 | -171.6 | -69.2 | 168.4 | -142.7 | 0 | 0 | 111.9 | K40 K47 | K40-E44 WeakPolarHBondContact O-CB 3.45Å; K40-E44 PolarHBondContact O-N 3.02Å; E44-K47 WeakPolarHBondContact O-CE 3.41Å; E44-K47 PolarHBondContact O-NZ 2.73Å |
| 45 | E | 87.4 | Confident | 92.3 | Very high | 100 Ų | 100 | 86 Ų | 86 | 47% | 0.467 | 43% | 0.432 | S | S | . | . | I | π-helix | trans | -102.3 | -58.7 | 179.1 | -67.1 | -171.3 | -123.4 | 0 | 0 | 112.1 | N10 Y41 | N10-E45 PolarHBondContact ND2-OE1 3.07Å; Y41-E45 HydrophobicContact CD2-CB 4.01Å; Y41-E45 HydrophobicContact CD2-CG 4.09Å; Y41-E45 WeakPolarHBondContact CD2-OE1 3.2Å; Y41-E45 HydrophobicContact CE2-CB 3.74Å; Y41-E45 HydrophobicContact CE2-CG 3.99Å; Y41-E45 VanDerWaalsContact CE2-OE1 3.24Å; Y41-E45 WeakPolarHBondContact CE2-OE1 3.26Å; Y41-E45 WeakPolarHBondContact CE2-OE2 3.35Å; Y41-E45 PolarHBondContact O-N 3.1Å |
| 46 | V | 88.5 | Confident | 92.2 | Very high | 24 Ų | 24 | 86.4 Ų | 86.4 | 15% | 0.145 | 44% | 0.435 | C | S | . | . | I | π-helix | trans | -62.2 | -63 | -172.1 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | L5 Y41 L42 T48 I54 | L5-V46 HydrophobicContact CD2-CG1 3.81Å; Y41-V46 HydrophobicContact CD1-CG2 3.72Å; Y41-V46 HydrophobicContact CE1-CG2 3.3Å; Y41-V46 PolarHBondContact O-N 3.06Å; Y41-V46 VanDerWaalsContact O-N 3.07Å; L42-V46 HydrophobicContact CD1-CG2 4.21Å; L42-V46 HydrophobicContact CG-CG2 4.46Å; V46-T48 WeakPolarHBondContact CG1-O 3.5Å; V46-T48 PolarHBondContact O-N 3.06Å; V46-I54 HydrophobicContact CG1-CD1 3.55Å |
| 47 | K | 87.2 | Confident | 92.2 | Very high | 119 Ų | 119 | 91.6 Ų | 91.6 | 52% | 0.517 | 45% | 0.451 | S | S | . | . | | | trans | 57.9 | -39.3 | -179.2 | -70 | 159.3 | 169.1 | 151.9 | 0 | 116.7 | L42 R43 E44 P53 I54 | L42-K47 PolarHBondContact O-N 2.68Å; R43-K47 WeakPolarHBondContact O-CE 3.35Å; R43-K47 WeakPolarHBondContact O-CG 3.32Å; E44-K47 WeakPolarHBondContact O-CE 3.41Å; E44-K47 PolarHBondContact O-NZ 2.73Å; K47-P53 WeakPolarHBondContact O-CA 3.42Å; K47-I54 PolarHBondContact O-N 2.85Å |
| 48 | T | 90.2 | Very high | 92.1 | Very high | 77 Ų | 77 | 91.5 Ų | 91.5 | 47% | 0.472 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 152.4 | -176.4 | 69.4 | 0 | 0 | 0 | 0 | 111.3 | V46 K52 | V46-T48 WeakPolarHBondContact CG1-O 3.5Å; V46-T48 PolarHBondContact O-N 3.06Å; T48-K52 CarbonylContact C-O 3.46Å; T48-K52 WeakPolarHBondContact CA-O 3.45Å |
| 49 | F | 91 | Very high | 92 | Very high | 54 Ų | 54 | 97.6 Ų | 97.6 | 24% | 0.237 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 134.3 | 174 | 167.5 | -112.4 | 0 | 0 | 0 | 108.4 | E1 V2 L5 G51 K52 I54 | E1-F49 HydrophobicContact CB-CE2 3.9Å; E1-F49 HydrophobicContact CB-CZ 3.7Å; E1-F49 WeakPolarHBondContact OE2-CZ 3.49Å; V2-F49 HydrophobicContact CG2-CE1 4.07Å; V2-F49 HydrophobicContact CG2-CZ 4.07Å; L5-F49 HydrophobicContact CD1-CB 4.13Å; L5-F49 HydrophobicContact CD1-CD2 3.93Å; L5-F49 HydrophobicContact CD1-CG 3.98Å; L5-F49 HydrophobicContact CD2-CB 4.41Å; L5-F49 HydrophobicContact CD2-CD2 3.79Å; L5-F49 HydrophobicContact CD2-CG 4.42Å; L5-F49 HydrophobicContact CG-CD2 4.09Å; F49-G51 PolarHBondContact O-N 3.07Å; F49-K52 PolarHBondContact N-O 2.9Å; F49-K52 PolarHBondContact O-N 2.92Å; F49-I54 HydrophobicContact CB-CD1 3.48Å; F49-I54 VanDerWaalsContact CB-CD1 3.48Å; F49-I54 HydrophobicContact CB-CG1 3.81Å |
| 50 | Q | 89.5 | Confident | 91.6 | Very high | 125 Ų | 125 | 99.3 Ų | 99.3 | 58% | 0.584 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 36.6 | -170.4 | -57 | 177.6 | -9.1 | 0 | 0 | 113.1 | E1 K52 | E1-Q50 PolarHBondContact OE2-NE2 3.32Å; Q50-K52 PolarHBondContact O-N 3.29Å |
| 51 | G | 91.6 | Very high | 91 | Very high | 74 Ų | 74 | 100.2 Ų | 100.2 | 76% | 0.763 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72 | 5.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | F49 | F49-G51 PolarHBondContact O-N 3.07Š|
| 52 | K | 93.3 | Very high | 89.9 | Confident | 143 Ų | 143 | 103.9 Ų | 103.9 | 62% | 0.622 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 137.9 | -179.7 | -64 | 172.6 | -176.4 | 171.2 | 0 | 110.7 | T48 F49 Q50 | T48-K52 CarbonylContact C-O 3.46Å; T48-K52 WeakPolarHBondContact CA-O 3.45Å; F49-K52 PolarHBondContact N-O 2.9Å; F49-K52 PolarHBondContact O-N 2.92Å; Q50-K52 PolarHBondContact O-N 3.29Å |
| 53 | P | 94.1 | Very high | 88.1 | Confident | 114 Ų | 114 | 109.1 Ų | 109.1 | 74% | 0.74 | 57% | 0.566 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.1 | 140.7 | 176.7 | 27.4 | -34.4 | 0 | 0 | 0 | 111.5 | K47 | K47-P53 WeakPolarHBondContact O-CA 3.42Å |
| 54 | I | 93.8 | Very high | 86.3 | Confident | 59 Ų | 59 | 109.8 Ų | 109.8 | 30% | 0.303 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -101.5 | 136.2 | -179.2 | -38.9 | 176.4 | 0 | 0 | 0 | 110 | L5 V46 K47 F49 | L5-I54 HydrophobicContact CD1-CD1 3.94Å; V46-I54 HydrophobicContact CG1-CD1 3.55Å; K47-I54 PolarHBondContact O-N 2.85Å; F49-I54 HydrophobicContact CB-CD1 3.48Å; F49-I54 VanDerWaalsContact CB-CD1 3.48Å; F49-I54 HydrophobicContact CB-CG1 3.81Å |
| 55 | M | 92.1 | Very high | 84.5 | Confident | 188 Ų | 188 | 113.5 Ų | 113.5 | 93% | 0.926 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 124 | 163.4 | -67 | -174.4 | -71.3 | 0 | 0 | 110.1 | | |
| 56 | A | 93.8 | Very high | 82.9 | Confident | 36 Ų | 36 | 110.6 Ų | 110.6 | 30% | 0.298 | 58% | 0.581 | S | S | . | * | | | trans | -111.7 | 156.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | F39 L42 | F39-A56 HydrophobicContact CD2-CB 3.92Å; F39-A56 HydrophobicContact CE2-CB 3.95Å; L42-A56 HydrophobicContact CB-CB 4.39Å; L42-A56 HydrophobicContact CD2-CB 4.06Å |
| 57 | R | 94.3 | Very high | 81.5 | Confident | 208 Ų | 208 | 117.9 Ų | 117.9 | 79% | 0.785 | 61% | 0.611 | S | S | * | * | | | trans | -152.2 | 143.7 | 168.4 | 58.3 | 178.5 | 173.8 | 173.1 | -3.8 | 110.4 | | |
| 58 | I | 94.5 | Very high | 79.9 | Confident | 86 Ų | 86 | 120.7 Ų | 120.7 | 44% | 0.441 | 63% | 0.632 | S | S | . | * | | | trans | -73.7 | 128.5 | 172.2 | -62.4 | -179.9 | 0 | 0 | 0 | 109 | Q36 F39 | Q36-I58 HydrophobicContact CG-CD1 3.82Å; F39-I58 HydrophobicContact CB-CD1 4.02Å; F39-I58 HydrophobicContact CB-CG1 3.9Å; F39-I58 HydrophobicContact CD1-CD1 3.66Å; F39-I58 HydrophobicContact CD1-CG1 3.82Å; F39-I58 HydrophobicContact CD2-CG1 4.03Å; F39-I58 HydrophobicContact CE1-CD1 4.29Å; F39-I58 HydrophobicContact CE1-CG1 4.31Å; F39-I58 HydrophobicContact CG-CD1 3.9Å; F39-I58 HydrophobicContact CG-CG1 3.64Å |
| 59 | K | 92.1 | Very high | 78.1 | Confident | 130 Ų | 130 | 120.1 Ų | 120.1 | 57% | 0.565 | 64% | 0.641 | S | S | * | * | | | trans | -102.2 | 85.5 | 173.4 | 177.6 | -175.2 | 165.9 | -173.6 | 0 | 108.4 | Y26 I61 | Y26-K59 HydrophobicContact CD1-CD 3.99Å; Y26-K59 HydrophobicContact CE1-CD 3.69Å; Y26-K59 VanDerWaalsContact CE2-NZ 3.33Å; Y26-K59 VanDerWaalsContact CZ-NZ 3.28Å; K59-I61 PolarHBondContact O-N 2.85Å |
| 60 | A | 86.6 | Confident | 76.3 | Confident | 86 Ų | 86 | 127.2 Ų | 127.2 | 71% | 0.711 | 67% | 0.668 | S | S | * | * | | | trans | -66.3 | 129.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | N62 | A60-N62 PolarHBondContact O-N 3.07Š|
| 61 | I | 80.8 | Confident | 74.5 | Confident | 142 Ų | 142 | 131.7 Ų | 131.7 | 73% | 0.728 | 68% | 0.679 | S | S | * | * | | | trans | -81.8 | 112.8 | 165.2 | -60 | 176 | 0 | 0 | 0 | 105.9 | K59 T63 | K59-I61 PolarHBondContact O-N 2.85Å; I61-T63 PolarHBondContact O-N 3.03Å |
| 62 | N | 72.9 | Confident | 72.7 | Confident | 115 Ų | 115 | 135.4 Ų | 135.4 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | | | trans | -73.2 | 102.1 | -179.3 | -169.2 | -12.5 | 0 | 0 | 0 | 109.7 | A60 F64 A66 | A60-N62 PolarHBondContact O-N 3.07Å; N62-F64 PolarHBondContact O-N 2.97Å; N62-A66 WeakPolarHBondContact ND2-CB 3.19Å |
| 63 | T | 56.4 | Low | 70.6 | Confident | 130 Ų | 130 | 136.3 Ų | 136.3 | 80% | 0.798 | 69% | 0.689 | S | S | * | * | | | trans | -79.8 | 26.6 | -170.8 | 42.5 | 0 | 0 | 0 | 0 | 114.4 | I61 | I61-T63 PolarHBondContact O-N 3.03Š|
| 64 | F | 51.6 | Low | 68 | Low | 174 Ų | 174 | 137 Ų | 137 | 76% | 0.763 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -148.4 | 166 | 168 | -134.9 | -100.8 | 0 | 0 | 0 | 112.3 | N62 A66 | N62-F64 PolarHBondContact O-N 2.97Å; F64-A66 PolarHBondContact O-N 3.36Å |
| 65 | F | 52.5 | Low | 65.5 | Low | 200 Ų | 200 | 139.3 Ų | 139.3 | 88% | 0.877 | 71% | 0.708 | S | S | * | * | | | trans | -71.3 | 65.5 | -179.1 | -67.2 | -91.1 | 0 | 0 | 0 | 112.8 | K67 | F65-K67 PolarHBondContact O-N 2.68Š|
| 66 | A | 55 | Low | 62.9 | Low | 38 Ų | 38 | 134.5 Ų | 134.5 | 31% | 0.314 | 69% | 0.693 | S | S | . | * | | | trans | -74 | 87.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | N62 F64 N68 | N62-A66 WeakPolarHBondContact ND2-CB 3.19Å; F64-A66 PolarHBondContact O-N 3.36Å; A66-N68 PolarHBondContact O-N 3.17Å |
| 67 | K | 58.5 | Low | 60.4 | Low | 178 Ų | 178 | 140 Ų | 140 | 77% | 0.774 | 72% | 0.716 | S | S | * | * | | | trans | -34.9 | 127.7 | 161.3 | 59.3 | -157.4 | 173.2 | -171.8 | 0 | 111.5 | F65 G69 | F65-K67 PolarHBondContact O-N 2.68Å; K67-G69 VanDerWaalsContact C-N 3.3Å; K67-G69 PolarHBondContact O-N 3.1Å |
| 68 | N | 52.6 | Low | 57.9 | Low | 178 Ų | 178 | 139.9 Ų | 139.9 | 95% | 0.952 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -64.2 | 72.9 | -164.5 | -61.5 | -12.5 | 0 | 0 | 0 | 114.3 | A66 | A66-N68 PolarHBondContact O-N 3.17Š|
| 69 | G | 53.9 | Low | 55.1 | Low | 64 Ų | 64 | 140 Ų | 140 | 66% | 0.66 | 73% | 0.725 | S | S | * | * | | | trans | -140.1 | -12.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | K67 R71 | K67-G69 VanDerWaalsContact C-N 3.3Å; K67-G69 PolarHBondContact O-N 3.1Å; G69-R71 PolarHBondContact O-N 3.37Å |
| 70 | Y | 51.9 | Low | 52.4 | Low | 204 Ų | 204 | 140.7 Ų | 140.7 | 80% | 0.8 | 73% | 0.73 | S | S | * | * | | | trans | -79.8 | 101.9 | 175 | -75.3 | -84.5 | 0 | 0 | 0 | 110.5 | | |
| 71 | R | 52.5 | Low | 50.2 | Low | 219 Ų | 219 | 143 Ų | 143 | 83% | 0.826 | 74% | 0.738 | S | S | * | * | | | trans | -63.5 | 136.3 | 154.5 | -53.8 | -179.2 | -163.7 | -95.6 | 0.4 | 106.7 | G69 M73 | G69-R71 PolarHBondContact O-N 3.37Å; R71-M73 PolarHBondContact O-N 3.45Å |
| 72 | L | 54.6 | Low | 48.1 | Very low | 151 Ų | 151 | 143.8 Ų | 143.8 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | | | trans | -58.9 | 121.6 | 171.1 | -177.6 | 65.1 | 0 | 0 | 0 | 107.2 | | |
| 73 | M | 48.5 | Very low | 46.5 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 80% | 0.803 | 75% | 0.749 | S | S | * | * | | | trans | -89.2 | 110 | 178.8 | -157.3 | 63.5 | 60.9 | 0 | 0 | 107.6 | R71 S75 | R71-M73 PolarHBondContact O-N 3.45Å; M73-S75 PolarHBondContact O-N 3.48Å |
| 74 | D | 39.6 | Very low | 45.5 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | | | trans | -64.4 | 123.8 | -172.7 | -61.9 | -53.6 | 0 | 0 | 0 | 110.7 | S76 | D74-S76 VanDerWaalsContact C-N 3.26Å; D74-S76 PolarHBondContact O-N 3.01Å |
| 75 | S | 39.9 | Very low | 44.7 | Very low | 107 Ų | 107 | 146.4 Ų | 146.4 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -80.1 | 74.4 | -175.5 | -162.8 | 0 | 0 | 0 | 0 | 110.9 | M73 I77 | M73-S75 PolarHBondContact O-N 3.48Å; S75-I77 VanDerWaalsContact C-N 3.27Å; S75-I77 PolarHBondContact O-N 2.95Å |
| 76 | S | 38.3 | Very low | 43.9 | Very low | 87 Ų | 87 | 141.2 Ų | 141.2 | 61% | 0.608 | 75% | 0.748 | S | S | * | * | | | trans | -77.3 | 69.2 | -177.5 | 63 | 0 | 0 | 0 | 0 | 112.4 | D74 Y78 | D74-S76 VanDerWaalsContact C-N 3.26Å; D74-S76 PolarHBondContact O-N 3.01Å; S76-Y78 VanDerWaalsContact C-N 3.29Å |
| 77 | I | 40.9 | Very low | 43.3 | Very low | 152 Ų | 152 | 147.4 Ų | 147.4 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -84 | -7.4 | 172.4 | -62.4 | 179.3 | 0 | 0 | 0 | 111.5 | S75 | S75-I77 VanDerWaalsContact C-N 3.27Å; S75-I77 PolarHBondContact O-N 2.95Å |
| 78 | Y | 41.8 | Very low | 42.1 | Very low | 204 Ų | 204 | 149.6 Ų | 149.6 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -136.5 | 89.9 | 170.7 | -135 | -95.5 | 0 | 0 | 0 | 111.1 | S76 H80 | S76-Y78 VanDerWaalsContact C-N 3.29Å; Y78-H80 AromaticContact CE1-NE2 3.99Å |
| 79 | S | 36.3 | Very low | 41.3 | Very low | 90 Ų | 90 | 145.5 Ų | 145.5 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | | | trans | -124.6 | 113.6 | 173 | 58 | 0 | 0 | 0 | 0 | 110 | | |
| 80 | H | 35.2 | Very low | 40.2 | Very low | 143 Ų | 143 | 147.5 Ų | 147.5 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | | | trans | -61.4 | 149.3 | 169 | -62.6 | -84 | 0 | 0 | 0 | 110.2 | Y78 I82 | Y78-H80 AromaticContact CE1-NE2 3.99Å; H80-I82 PolarHBondContact O-N 3.2Å |
| 81 | P | 40.5 | Very low | 40 | Very low | 134 Ų | 134 | 143.4 Ų | 143.4 | 87% | 0.87 | 77% | 0.768 | S | S | * | * | | | trans | -70.8 | 103.5 | -172.9 | 28.1 | -34.9 | 0 | 0 | 0 | 111.6 | | |
| 82 | I | 36.4 | Very low | 39.6 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 82% | 0.821 | 77% | 0.765 | S | S | * | * | | | trans | -98.8 | 131.7 | 166.2 | -66.4 | -179.2 | 0 | 0 | 0 | 109.2 | H80 T84 | H80-I82 PolarHBondContact O-N 3.2Å; I82-T84 PolarHBondContact O-N 2.99Å |
| 83 | Q | 38.8 | Very low | 39 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | | | trans | -73.3 | 108.8 | -167.6 | -173.4 | 178.5 | 21.2 | 0 | 0 | 112.4 | Q85 | Q83-Q85 PolarHBondContact O-N 2.9Š|
| 84 | T | 36.7 | Very low | 39.1 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | | | trans | -83.9 | 99.2 | 172 | 39 | 0 | 0 | 0 | 0 | 111.3 | I82 | I82-T84 PolarHBondContact O-N 2.99Š|
| 85 | Q | 33.9 | Very low | 39.1 | Very low | 168 Ų | 168 | 144 Ų | 144 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | trans | -73.2 | 158 | 161.3 | -71.1 | -158.5 | 22.2 | 0 | 0 | 111.3 | Q83 | Q83-Q85 PolarHBondContact O-N 2.9Š|
| 86 | A | 37 | Very low | 39.5 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | -88.6 | 161.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 87 | Q | 40.7 | Very low | 39.4 | Very low | 167 Ų | 167 | 147.5 Ų | 147.5 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | -4.3 | 130.9 | 152.7 | -56.5 | 174.4 | -21.5 | 0 | 0 | 118.1 | | |
| 88 | Y | 33.4 | Very low | 39.1 | Very low | 225 Ų | 225 | 149.7 Ų | 149.7 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | | | | -153.2 | 130.6 | 123.2 | -77.4 | -56.1 | 0 | 0 | 0 | 107 | | |
| 89 | A | 35.9 | Very low | 39 | Very low | 91 Ų | 91 | 147.1 Ų | 147.1 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | | 80 | 137.8 | 62.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 90 | S | 31.6 | Very low | 39.6 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | | | trans | -65.8 | 140.8 | -164 | -170.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 91 | P | 48 | Very low | 39.8 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | trans | -66.6 | 136 | 166.1 | 29.7 | -33.9 | 0 | 0 | 0 | 110.1 | | |
| 92 | V | 42.8 | Very low | 39.9 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 76% | 0.758 | 78% | 0.777 | S | S | * | * | | | trans | -111 | 128.7 | 164.5 | 174.7 | 0 | 0 | 0 | 0 | 106.8 | M94 | V92-M94 PolarHBondContact O-N 3.19Š|
| 93 | F | 43.5 | Very low | 40 | Very low | 199 Ų | 199 | 147 Ų | 147 | 87% | 0.873 | 77% | 0.772 | S | S | * | * | | | trans | -66.1 | 124.6 | 176.8 | -99.3 | -101.6 | 0 | 0 | 0 | 110.7 | | |
| 94 | M | 49.1 | Very low | 39.9 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | -130.6 | 136.2 | 162.6 | -75.3 | -81.3 | 92 | 0 | 0 | 108 | V92 | V92-M94 PolarHBondContact O-N 3.19Š|
| 95 | Q | 41.3 | Very low | 40 | Very low | 186 Ų | 186 | 147.5 Ų | 147.5 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 137.9 | 180 | -70.1 | -177.9 | -68.8 | 0 | 0 | 110.8 | | |
| 96 | P | 46.8 | Very low | 40.5 | Very low | 127 Ų | 127 | 144.6 Ų | 144.6 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 126.9 | 162.8 | -12.9 | 28.5 | 0 | 0 | 0 | 109.8 | | |
| 97 | V | 36.9 | Very low | 40.5 | Very low | 141 Ų | 141 | 149.9 Ų | 149.9 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -82 | 133.3 | 161.4 | 176.3 | 0 | 0 | 0 | 0 | 108 | | |
| 98 | Y | 35.3 | Very low | 40.3 | Very low | 199 Ų | 199 | 148 Ų | 148 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 129.5 | -177.7 | 178.4 | -95 | 0 | 0 | 0 | 111.6 | P100 | Y98-P100 HydrophobicContact CE1-CB 4.33Å; Y98-P100 HydrophobicContact CE1-CG 3.79Å |
| 99 | N | 38.3 | Very low | 40.8 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | | | trans | -145.9 | 118.8 | 165.9 | -167.9 | 28 | 0 | 0 | 0 | 110.2 | | |
| 100 | P | 50.3 | Low | 41.5 | Very low | 58 Ų | 58 | 145.9 Ų | 145.9 | 38% | 0.377 | 77% | 0.766 | S | S | . | * | | | trans | -90.8 | 174.9 | 178.3 | 33.8 | -29.7 | 0 | 0 | 0 | 113 | Y98 | Y98-P100 HydrophobicContact CE1-CB 4.33Å; Y98-P100 HydrophobicContact CE1-CG 3.79Å |
| 101 | H | 39 | Very low | 42.1 | Very low | 155 Ų | 155 | 146 Ų | 146 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | | | trans | 71.7 | 111.4 | -177.1 | -60.1 | -109.6 | 0 | 0 | 0 | 113.7 | | |
| 102 | Q | 43 | Very low | 42 | Very low | 158 Ų | 158 | 150 Ų | 150 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | | 118.1 | 146.7 | 80.1 | -95 | -173.6 | 23.4 | 0 | 0 | 108 | | |
| 103 | Q | 37.4 | Very low | 42 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 72% | 0.72 | 77% | 0.769 | S | S | * | * | | | cis | -138.2 | 175.1 | -1.1 | -64.2 | -161.7 | -66.3 | 0 | 0 | 112.4 | | |
| 104 | Y | 37 | Very low | 42.2 | Very low | 194 Ų | 194 | 151 Ų | 151 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | | | trans | -17.1 | 134.9 | 173.6 | -64.7 | -83.2 | 0 | 0 | 0 | 122.9 | | |
| 105 | S | 39.3 | Very low | 41.7 | Very low | 121 Ų | 121 | 148.7 Ų | 148.7 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | trans | -164.4 | 86.8 | 132.3 | -78.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 106 | V | 43.6 | Very low | 42 | Very low | 108 Ų | 108 | 145.5 Ų | 145.5 | 66% | 0.655 | 77% | 0.767 | S | S | * | * | | | | 67.2 | 98.5 | 88.5 | -179.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 107 | Y | 36.8 | Very low | 41.5 | Very low | 201 Ų | 201 | 146.4 Ų | 146.4 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | | | trans | 46.7 | 110.1 | 167.1 | -57.4 | -63.9 | 0 | 0 | 0 | 120.3 | I109 | Y107-I109 HydrophobicContact CD1-CD1 4.3Å; Y107-I109 HydrophobicContact CD1-CG1 4.47Å; Y107-I109 HydrophobicContact CG-CD1 4.46Å |
| 108 | S | 36.6 | Very low | 42.3 | Very low | 129 Ų | 129 | 144.9 Ų | 144.9 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | | | trans | -109 | 116.8 | 146.8 | -71.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 109 | I | 44.5 | Very low | 43 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | | | trans | -116.3 | 99.5 | -178.7 | -60.6 | 172.3 | 0 | 0 | 0 | 109.4 | Y107 | Y107-I109 HydrophobicContact CD1-CD1 4.3Å; Y107-I109 HydrophobicContact CD1-CG1 4.47Å; Y107-I109 HydrophobicContact CG-CD1 4.46Å |
| 110 | V | 50.4 | Low | 43.7 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | | | trans | -141.9 | 127.1 | 158.2 | 179.5 | 0 | 0 | 0 | 0 | 107 | Q112 | V110-Q112 PolarHBondContact O-N 3.45Š|
| 111 | P | 43.7 | Very low | 43.3 | Very low | 108 Ų | 108 | 148.3 Ų | 148.3 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | -72.9 | 116.8 | -179.6 | 28.2 | -33.4 | 0 | 0 | 0 | 111.4 | S113 | P111-S113 PolarHBondContact O-N 3.28Å; P111-S113 VanDerWaalsContact O-N 3.09Å |
| 112 | Q | 46.2 | Very low | 43.7 | Very low | 202 Ų | 202 | 150.2 Ų | 150.2 | 94% | 0.944 | 79% | 0.79 | S | S | * | * | | | trans | -81.2 | 85.4 | 177.6 | -173.4 | 165.1 | -23.9 | 0 | 0 | 110.8 | V110 W114 | V110-Q112 PolarHBondContact O-N 3.45Å; Q112-W114 PolarHBondContact O-N 3.35Å |
| 113 | S | 42.9 | Very low | 43.7 | Very low | 97 Ų | 97 | 150.7 Ų | 150.7 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | -96.1 | 56.9 | -162.4 | 50.7 | 0 | 0 | 0 | 0 | 116.1 | P111 | P111-S113 PolarHBondContact O-N 3.28Å; P111-S113 VanDerWaalsContact O-N 3.09Å |
| 114 | W | 47.5 | Very low | 44.3 | Very low | 249 Ų | 249 | 149.7 Ų | 149.7 | 94% | 0.943 | 80% | 0.797 | S | S | * | * | | | trans | -136.5 | 96.5 | 163.4 | -75.4 | 86.9 | 0 | 0 | 0 | 111.2 | Q112 | Q112-W114 PolarHBondContact O-N 3.35Š|
| 115 | S | 39.5 | Very low | 45.2 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 128.8 | 171.8 | 46.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 116 | P | 46.6 | Very low | 45.5 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 132.7 | 164.6 | 30.4 | -31.6 | 0 | 0 | 0 | 109.5 | P118 | P116-P118 WeakPolarHBondContact O-CD 3.14Š|
| 117 | N | 37.1 | Very low | 45.6 | Very low | 147 Ų | 147 | 146 Ų | 146 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 120.1 | -178.7 | 179.7 | 14.9 | 0 | 0 | 0 | 111.8 | | |
| 118 | P | 53.1 | Low | 46.3 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 117.4 | 172.5 | 32.6 | -31.2 | 0 | 0 | 0 | 111.1 | P116 | P116-P118 WeakPolarHBondContact O-CD 3.14Š|
| 119 | T | 51.3 | Low | 46.7 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 132.1 | 168.4 | 46.8 | 0 | 0 | 0 | 0 | 110.6 | Y121 | T119-Y121 PolarHBondContact O-N 3.02Š|
| 120 | P | 51.2 | Low | 47.1 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 87% | 0.87 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 122 | 176.3 | 28.9 | -33.5 | 0 | 0 | 0 | 110.1 | | |
| 121 | Y | 41.8 | Very low | 46.5 | Very low | 226 Ų | 226 | 145.7 Ų | 145.7 | 89% | 0.886 | 79% | 0.794 | S | S | * | * | | | trans | -118.8 | 147.8 | 165.9 | -158.2 | -95.5 | 0 | 0 | 0 | 109.2 | T119 | T119-Y121 PolarHBondContact O-N 3.02Š|
| 122 | F | 48.5 | Very low | 46.4 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | -76.9 | 157.1 | -164 | -133 | -98.7 | 0 | 0 | 0 | 113.6 | | |
| 123 | E | 42.2 | Very low | 46 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | | | trans | -77.2 | 134.8 | -171.6 | -175.6 | 174.6 | -163.1 | 0 | 0 | 112.7 | | |
| 124 | T | 49.9 | Very low | 46.2 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | -156.9 | 121.3 | 165.9 | -58.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 125 | P | 57.2 | Low | 45.9 | Very low | 98 Ų | 98 | 139.6 Ų | 139.6 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | | | trans | -107.4 | 177.5 | -171.4 | 40.9 | -36.7 | 0 | 0 | 0 | 114.9 | | |
| 126 | L | 44.7 | Very low | 46.1 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | | | trans | 76.5 | 140.3 | 165.8 | -59.5 | 163.7 | 0 | 0 | 0 | 116.9 | | |
| 127 | A | 45.9 | Very low | 45.4 | Very low | 82 Ų | 82 | 139.3 Ų | 139.3 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | | | cis | -154.3 | -149.2 | -13.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 128 | P | 51.3 | Low | 45.5 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | | -120 | 161.8 | -121 | 34 | -13.7 | 0 | 0 | 0 | 117.1 | | |
| 129 | F | 44.6 | Very low | 44.6 | Very low | 212 Ų | 212 | 142.8 Ų | 142.8 | 93% | 0.93 | 80% | 0.8 | S | S | * | * | | | trans | -90.7 | 137.5 | 170.2 | -66.2 | -82.6 | 0 | 0 | 0 | 112.5 | | |
| 130 | P | 53 | Low | 43.8 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 66% | 0.662 | 80% | 0.801 | S | S | * | * | | | trans | -118 | 116.4 | 167.2 | 34.8 | -22.3 | 0 | 0 | 0 | 113.7 | | |
| 131 | N | 38.3 | Very low | 43.6 | Very low | 161 Ų | 161 | 141.9 Ų | 141.9 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | 63.1 | 149.3 | 147.1 | -45.6 | -32.9 | 0 | 0 | 0 | 119.2 | | |
| 132 | G | 42.7 | Very low | 43.2 | Very low | 75 Ų | 75 | 134.5 Ų | 134.5 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | cis | 113.8 | 89 | -2.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 133 | S | 36.3 | Very low | 42.5 | Very low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | | | trans | -161.4 | 158.7 | 161.2 | -164.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 134 | F | 47.8 | Very low | 42.3 | Very low | 187 Ų | 187 | 133.6 Ų | 133.6 | 82% | 0.82 | 80% | 0.795 | S | S | * | * | | | trans | -80.3 | 150.8 | -169.6 | -41.7 | -93.9 | 0 | 0 | 0 | 113.5 | | |
| 135 | V | 41.4 | Very low | 41.8 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | | | | -170.3 | 151.9 | 113 | -91.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 136 | N | 43.4 | Very low | 40.8 | Very low | 160 Ų | 160 | 139.1 Ų | 139.1 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | | | trans | -112.9 | 133 | 164.6 | 172.9 | 23.2 | 0 | 0 | 0 | 107.8 | | |
| 137 | G | 32.9 | Very low | 40.3 | Very low | 67 Ų | 67 | 139.1 Ų | 139.1 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | | | trans | -171.9 | 75.6 | -170 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 138 | F | 37.8 | Very low | 39.9 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | trans | 41.8 | 145.3 | 141.1 | -94.2 | -90.3 | 0 | 0 | 0 | 123.9 | | |
| 139 | N | 34.5 | Very low | 39.1 | Very low | 147 Ų | 147 | 137.7 Ų | 137.7 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | | | trans | 92.3 | 128.7 | 154.5 | -63.6 | -40.9 | 0 | 0 | 0 | 121.1 | | |
| 140 | S | 35 | Very low | 39 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | | | trans | -80.2 | -171.6 | 169.5 | -20.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 141 | P | 46.7 | Very low | 38.4 | Very low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | cis | -135 | 163.2 | -23.6 | 33.3 | -15.6 | 0 | 0 | 0 | 114.9 | | |
| 142 | G | 32.8 | Very low | 38.2 | Very low | 71 Ų | 71 | 133.2 Ų | 133.2 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | | | trans | 109 | 151.9 | 138.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 143 | S | 33.6 | Very low | 37.9 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | | | trans | 63.7 | 140.2 | 178 | -70.7 | 0 | 0 | 0 | 0 | 116.3 | | |
| 144 | Y | 38.2 | Very low | 37.8 | Very low | 223 Ų | 223 | 135.9 Ų | 135.9 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | | | cis | -146 | 176.9 | 6 | 43.1 | -96.1 | 0 | 0 | 0 | 112.7 | | |
| 145 | K | 39.1 | Very low | 37.5 | Very low | 196 Ų | 196 | 138.5 Ų | 138.5 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | | | trans | -70.9 | 138.3 | -162.9 | -54 | 160.5 | -177.9 | 170.9 | 0 | 115 | | |
| 146 | T | 37 | Very low | 38 | Very low | 151 Ų | 151 | 136.1 Ų | 136.1 | 93% | 0.926 | 79% | 0.789 | S | S | * | * | | | | -135 | 144.5 | 128.4 | 36.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 147 | N | 33.7 | Very low | 37.6 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | | | trans | -95.5 | 148.8 | -163.7 | -162.9 | 13.7 | 0 | 0 | 0 | 113 | | |
| 148 | A | 37.8 | Very low | 37.8 | Very low | 65 Ų | 65 | 141.6 Ų | 141.6 | 54% | 0.537 | 79% | 0.789 | S | S | . | * | | | trans | -106 | 149.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 149 | A | 34.5 | Very low | 38 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 88% | 0.876 | 79% | 0.787 | S | S | * | * | | | trans | -137.8 | 73.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 150 | A | 42.4 | Very low | 38 | Very low | 93 Ų | 93 | 142.4 Ų | 142.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -139.9 | 51.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 151 | M | 39.8 | Very low | 38.5 | Very low | 144 Ų | 144 | 148.8 Ų | 148.8 | 71% | 0.709 | 80% | 0.801 | S | S | * | * | | | trans | -153.5 | 158.3 | 178.3 | 38.5 | -90 | -178 | 0 | 0 | 109.1 | | |
| 152 | N | 35.6 | Very low | 38.1 | Very low | 144 Ų | 144 | 149.2 Ų | 149.2 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | | | cis | -147.5 | 163.9 | 22.4 | -175.4 | -91.5 | 0 | 0 | 0 | 112.4 | G154 | N152-G154 PolarHBondContact OD1-N 3.44Š|
| 153 | M | 36.7 | Very low | 39 | Very low | 188 Ų | 188 | 155.1 Ų | 155.1 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | | | trans | -138.6 | 104.9 | 169.1 | -162.6 | 66.5 | 147.5 | 0 | 0 | 112 | | |
| 154 | G | 33.8 | Very low | 39.4 | Very low | 57 Ų | 57 | 154.5 Ų | 154.5 | 59% | 0.588 | 80% | 0.8 | S | S | * | * | | | trans | 118.3 | 74.6 | 143 | 0 | 0 | 0 | 0 | 0 | 122.9 | N152 | N152-G154 PolarHBondContact OD1-N 3.44Š|
| 155 | R | 41.7 | Very low | 39.3 | Very low | 241 Ų | 241 | 151.9 Ų | 151.9 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | | | trans | 67.4 | 179 | 143.8 | -50.8 | -167.8 | -171.9 | -75.6 | 0.3 | 116.2 | | |
| 156 | P | 50.1 | Low | 39.3 | Very low | 103 Ų | 103 | 151.6 Ų | 151.6 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | | | cis | -131.4 | -173 | -2.3 | 27.1 | -1.6 | 0 | 0 | 0 | 117 | | |
| 157 | F | 35.6 | Very low | 39.4 | Very low | 181 Ų | 181 | 155.7 Ų | 155.7 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | 92.8 | 118.4 | 166 | -64.2 | -78.9 | 0 | 0 | 0 | 120.9 | | |
| 158 | Q | 37.9 | Very low | 39.3 | Very low | 161 Ų | 161 | 153.8 Ų | 153.8 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | | | | 34.7 | 138.7 | 126.3 | -51.4 | -63.8 | -2.5 | 0 | 0 | 118.7 | | |
| 159 | K | 40.8 | Very low | 39.3 | Very low | 173 Ų | 173 | 156.7 Ų | 156.7 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | | | cis | -173.5 | 137.8 | 19.7 | 30 | -179.5 | 168.7 | 177.9 | 0 | 110.2 | | |
| 160 | N | 35 | Very low | 39.2 | Very low | 171 Ų | 171 | 155.4 Ų | 155.4 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | | | trans | 168.5 | 160.8 | 137.1 | -91.4 | -28 | 0 | 0 | 0 | 114 | | |
| 161 | R | 45 | Very low | 38.7 | Very low | 243 Ų | 243 | 154.3 Ų | 154.3 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | | | trans | -78 | 149.6 | 175.8 | -67.8 | 171.4 | 168.1 | 169 | -5.6 | 111.9 | | |
| 162 | V | 39 | Very low | 38.3 | Very low | 136 Ų | 136 | 152.6 Ų | 152.6 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | | | | -174.8 | 146.5 | 113.8 | 147.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 163 | K | 51.3 | Low | 38.3 | Very low | 194 Ų | 194 | 153.2 Ų | 153.2 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | | | trans | -84.6 | 127.5 | 172.1 | -81.1 | -179.1 | 171.4 | -179.1 | 0 | 110.4 | | |
| 164 | P | 42.6 | Very low | 38.1 | Very low | 108 Ų | 108 | 152.3 Ų | 152.3 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | -80.8 | 115 | 161.5 | -3.5 | 21.8 | 0 | 0 | 0 | 109.5 | F166 | P164-F166 PolarHBondContact O-N 2.83Š|
| 165 | Q | 36 | Very low | 37.9 | Very low | 169 Ų | 169 | 154.8 Ų | 154.8 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | trans | -78.9 | 106.6 | 168 | -174.8 | 79.2 | -9 | 0 | 0 | 108.1 | R167 | Q165-R167 PolarHBondContact O-N 2.88Š|
| 166 | F | 38.5 | Very low | 37.5 | Very low | 190 Ų | 190 | 148.1 Ų | 148.1 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 126.2 | 172.8 | -94.8 | -87.6 | 0 | 0 | 0 | 110.1 | P164 | P164-F166 PolarHBondContact O-N 2.83Š|
| 167 | R | 39.1 | Very low | 36.6 | Very low | 236 Ų | 236 | 151.9 Ų | 151.9 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 128.1 | 173.2 | -64.3 | 177.7 | 178 | -122.8 | 3 | 108.6 | Q165 | Q165-R167 PolarHBondContact O-N 2.88Š|
| 168 | S | 33.1 | Very low | 36.5 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 88% | 0.881 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 129.9 | 161.8 | -57.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 169 | S | 36.3 | Very low | 36.3 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 143.2 | 162.4 | -172.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 170 | G | 32.4 | Very low | 35.9 | Very low | 79 Ų | 79 | 143.8 Ų | 143.8 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | | | trans | -136.2 | 160.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 171 | G | 31.7 | Very low | 36 | Very low | 71 Ų | 71 | 141.2 Ų | 141.2 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | | | trans | 167.7 | 143.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 172 | S | 33 | Very low | 35.8 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | | | trans | 66.7 | 129.8 | 173.5 | -163 | 0 | 0 | 0 | 0 | 117.2 | | |
| 173 | E | 34.4 | Very low | 35.5 | Very low | 158 Ų | 158 | 135.4 Ų | 135.4 | 74% | 0.738 | 81% | 0.808 | S | S | * | * | | | cis | -164.6 | 175.4 | -26.5 | -113 | 139.3 | 169.2 | 0 | 0 | 109.2 | | |
| 174 | H | 33.1 | Very low | 34.7 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | | | trans | -20.2 | 151.1 | 175.6 | -50.7 | -75.7 | 0 | 0 | 0 | 118.7 | | |
| 175 | S | 29.8 | Very low | 34.2 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | | | cis | -165.4 | -170.5 | 15.6 | -136.9 | 0 | 0 | 0 | 0 | 109.1 | | |
| 176 | T | 33.8 | Very low | 34.1 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 63% | 0.626 | 82% | 0.819 | S | S | * | * | | | cis | -136.4 | -179.8 | 4.9 | 49.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 177 | E | 31.1 | Very low | 34.1 | Very low | 182 Ų | 182 | 133 Ų | 133 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | | | trans | 46.9 | 130.2 | 144.8 | -70.5 | 156.3 | -99.9 | 0 | 0 | 122.4 | | |
| 178 | G | 32.3 | Very low | 33.8 | Very low | 86 Ų | 86 | 127.9 Ų | 127.9 | 89% | 0.887 | 81% | 0.814 | S | S | * | * | | | trans | 149 | 79.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 179 | S | 33 | Very low | 33.8 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | | | trans | -101.1 | 132.3 | 179 | -179.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 180 | V | 34.3 | Very low | 33.6 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | | | trans | -167.5 | 147.6 | 131.2 | -95.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 181 | S | 37.2 | Very low | 33.4 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -129.8 | 126.3 | 172.7 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 182 | L | 40.7 | Very low | 33.3 | Very low | 183 Ų | 183 | 139 Ų | 139 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | | | trans | -154.6 | 132 | 162.8 | -78.3 | 177.7 | 0 | 0 | 0 | 106.9 | | |
| 183 | G | 32.3 | Very low | 33.6 | Very low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | | | cis | -166.1 | 176.4 | -6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 184 | D | 34.6 | Very low | 33.7 | Very low | 178 Ų | 178 | 143.3 Ų | 143.3 | 95% | 0.952 | 80% | 0.804 | S | S | * | * | | | trans | -69.9 | 160.7 | -176 | -84.1 | -70.8 | 0 | 0 | 0 | 115.3 | | |
| 185 | G | 31.1 | Very low | 33.7 | Very low | 76 Ų | 76 | 144.2 Ų | 144.2 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | | | trans | -177.4 | 38.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 186 | Q | 34.7 | Very low | 34.9 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -94.5 | 109 | 174.6 | -140.8 | -140.7 | 110.7 | 0 | 0 | 112.2 | | |
| 187 | L | 38 | Very low | 34.7 | Very low | 180 Ų | 180 | 144 Ų | 144 | 94% | 0.942 | 81% | 0.811 | S | S | * | * | | | trans | -137.3 | 130.6 | 165.8 | -81.5 | 179.9 | 0 | 0 | 0 | 111.5 | | |
| 188 | N | 32.2 | Very low | 34.7 | Very low | 130 Ų | 130 | 142.7 Ų | 142.7 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | | | trans | -139.7 | 107.5 | -172.3 | -169.3 | -2.7 | 0 | 0 | 0 | 109.6 | | |
| 189 | R | 33.7 | Very low | 34.7 | Very low | 234 Ų | 234 | 147.6 Ų | 147.6 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | 173.3 | 125.3 | 158.8 | -106.2 | 167.6 | -74.7 | -171.8 | -1.7 | 113.8 | | |
| 190 | Y | 31.5 | Very low | 34.7 | Very low | 219 Ų | 219 | 149.7 Ų | 149.7 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | | | | -174.7 | 107.9 | 124.5 | -117.7 | -101.5 | 0 | 0 | 0 | 105.7 | | |
| 191 | S | 29.1 | Very low | 34.5 | Very low | 78 Ų | 78 | 149.7 Ų | 149.7 | 55% | 0.545 | 79% | 0.788 | S | S | . | * | | | | 67.3 | 130.2 | 85.8 | -157 | 0 | 0 | 0 | 0 | 112.5 | | |
| 192 | S | 30.6 | Very low | 34.9 | Very low | 103 Ų | 103 | 150.3 Ų | 150.3 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | | | cis | -153.9 | 137.3 | 41.6 | -64.7 | 0 | 0 | 0 | 0 | 118.4 | | |
| 193 | R | 37.4 | Very low | 34.6 | Very low | 223 Ų | 223 | 147.2 Ų | 147.2 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | | | trans | 27.3 | 99.3 | 133.5 | -44.7 | -178.9 | -155.1 | -166.6 | 6 | 122.3 | | |
| 194 | N | 36.4 | Very low | 34.6 | Very low | 134 Ų | 134 | 150.1 Ų | 150.1 | 72% | 0.717 | 78% | 0.781 | S | S | * | * | | | | 25.9 | 143.2 | 113.4 | -65.6 | -10.6 | 0 | 0 | 0 | 125.5 | | |
| 195 | F | 33.4 | Very low | 34.5 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 82% | 0.82 | 78% | 0.776 | S | S | * | * | | | trans | 78.7 | 157.3 | 142.8 | -67.7 | -37.3 | 0 | 0 | 0 | 121.9 | | |
| 196 | P | 54.7 | Low | 34.3 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | cis | -143.3 | -171.8 | -28 | 38.8 | -19.1 | 0 | 0 | 0 | 116.8 | | |
| 197 | A | 30.3 | Very low | 34 | Very low | 90 Ų | 90 | 148.3 Ų | 148.3 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | | | trans | 89.8 | 102.3 | 144 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 198 | E | 31.9 | Very low | 33.5 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | | | | 31.7 | 118.5 | 123.9 | -148 | -161.7 | 124.7 | 0 | 0 | 122 | | |
| 199 | R | 32.2 | Very low | 33.4 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | | | | 163.5 | 160.9 | 109.4 | -90.1 | -159.1 | 177.1 | -165.2 | 0.6 | 118 | | |
| 200 | H | 31.6 | Very low | 33.3 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 75% | 0.745 | 75% | 0.753 | S | S | * | * | | | trans | 87.4 | 128.2 | 151.8 | -61.8 | 133.3 | 0 | 0 | 0 | 122.5 | | |
| 201 | N | 31.3 | Very low | 33.1 | Very low | 143 Ų | 143 | 139.3 Ų | 139.3 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | | | trans | -74.2 | 172.3 | 151.7 | -70.3 | -30.5 | 0 | 0 | 0 | 110.8 | | |
| 202 | P | 46 | Very low | 33.2 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 84% | 0.844 | 76% | 0.76 | S | S | * | * | | | | -119.4 | 166.5 | 128.5 | 35.7 | -32.2 | 0 | 0 | 0 | 112.9 | | |
| 203 | T | 32.6 | Very low | 33.2 | Very low | 118 Ų | 118 | 146.7 Ų | 146.7 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | | | trans | -155.3 | 158.5 | -179.1 | -51.2 | 0 | 0 | 0 | 0 | 109 | | |
| 204 | V | 33.1 | Very low | 32.9 | Very low | 134 Ų | 134 | 143.1 Ų | 143.1 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | | | trans | 73.3 | 140.6 | -178.2 | -164.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 205 | T | 32.6 | Very low | 32.7 | Very low | 139 Ų | 139 | 144 Ų | 144 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | | | cis | -114.1 | 177.6 | 17.9 | 49.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 206 | G | 27.9 | Very low | 32.5 | Very low | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 74% | 0.744 | S | S | * | * | | | cis | 159.8 | 119.8 | -13 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 207 | H | 27 | Very low | 31.4 | Very low | 186 Ų | 186 | 142.4 Ų | 142.4 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | | | trans | 52.1 | 134.9 | 156 | -88.9 | -77.5 | 0 | 0 | 0 | 125.1 | | |
| 208 | Q | 27.9 | Very low | 31.3 | Very low | 162 Ų | 162 | 143 Ų | 143 | 76% | 0.757 | 74% | 0.743 | S | S | * | * | | | trans | 90.5 | 121.8 | 138.2 | -77.7 | -163 | -51.8 | 0 | 0 | 124.8 | | |
| 209 | E | 29.7 | Very low | 31.2 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 60% | 0.598 | 74% | 0.743 | S | S | * | * | | | trans | 63.8 | 109 | 133.7 | -53.2 | -49.7 | 98.3 | 0 | 0 | 124.7 | | |
| 210 | Q | 31.6 | Very low | 31.3 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | | 51 | 126.2 | 128.1 | -53.1 | -170 | 42.3 | 0 | 0 | 122.7 | | |
| 211 | T | 28.5 | Very low | 31.2 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | | | | -178.9 | 113.7 | 120.3 | -77.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 212 | Y | 30.4 | Very low | 31.3 | Very low | 195 Ų | 195 | 139.3 Ų | 139.3 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | | | trans | 59 | 126.3 | 144.3 | -80.6 | -118.1 | 0 | 0 | 0 | 125.7 | | |
| 213 | L | 31.4 | Very low | 31.4 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | | | trans | 66.7 | 154.3 | 143.3 | -58.1 | 175.3 | 0 | 0 | 0 | 121.7 | | |
| 214 | Q | 30.5 | Very low | 31.6 | Very low | 149 Ų | 149 | 142.9 Ų | 142.9 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | | | cis | -173 | 150.3 | -26.1 | 169.5 | 170 | 29 | 0 | 0 | 111.6 | | |
| 215 | K | 31.3 | Very low | 31.7 | Very low | 153 Ų | 153 | 143 Ų | 143 | 67% | 0.665 | 75% | 0.745 | S | S | * | * | | | trans | 68.6 | 142.8 | 161.2 | -91.6 | -164.9 | 172.2 | -88.8 | 0 | 117.6 | | |
| 216 | E | 31 | Very low | 31.9 | Very low | 144 Ų | 144 | 140 Ų | 140 | 67% | 0.673 | 74% | 0.742 | S | S | * | * | | | cis | -150.3 | 176.3 | -21 | -60.3 | -169.2 | 118.7 | 0 | 0 | 107.5 | | |
| 217 | T | 30.5 | Very low | 32.3 | Very low | 125 Ų | 125 | 143.7 Ų | 143.7 | 77% | 0.767 | 75% | 0.745 | S | S | * | * | | | cis | -147.6 | 151.4 | 18.7 | 30.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 218 | S | 29.6 | Very low | 32.9 | Very low | 101 Ų | 101 | 145 Ų | 145 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | 32.4 | 102.6 | 147.8 | -61.5 | 0 | 0 | 0 | 0 | 121.7 | | |
| 219 | T | 29.2 | Very low | 33.3 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | | | | 74.9 | 113.7 | 94.6 | 57.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 220 | L | 33.2 | Very low | 33.7 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | | | | 72.9 | 141 | 69.9 | -69.2 | -179.3 | 0 | 0 | 0 | 114 | | |
| 221 | Q | 29.8 | Very low | 33.8 | Very low | 165 Ų | 165 | 143 Ų | 143 | 77% | 0.771 | 77% | 0.765 | S | S | * | * | | | cis | -170 | 159.2 | -16.6 | -163.8 | 175.3 | 17.1 | 0 | 0 | 108.9 | | |
| 222 | V | 34 | Very low | 34.6 | Very low | 144 Ų | 144 | 148 Ų | 148 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | | | trans | -140.9 | 109.8 | 163.7 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 223 | E | 47.9 | Very low | 35.2 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 64% | 0.64 | 78% | 0.775 | S | S | * | * | | | trans | -168.3 | 138.9 | 149.8 | -146.8 | -172.5 | 108.5 | 0 | 0 | 111.8 | N225 | E223-N225 PolarHBondContact OE1-ND2 3.32Š|
| 224 | Q | 37.1 | Very low | 36 | Very low | 186 Ų | 186 | 148.8 Ų | 148.8 | 87% | 0.869 | 78% | 0.775 | S | S | * | * | | | | -174.6 | 113.5 | 123 | -102.6 | 165.4 | 101.7 | 0 | 0 | 114.1 | | |
| 225 | N | 33.8 | Very low | 36.9 | Very low | 136 Ų | 136 | 149.7 Ų | 149.7 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | 0 | 149.1 | 151 | -54.5 | -69.7 | 0 | 0 | 0 | 121.9 | E223 | E223-N225 PolarHBondContact OE1-ND2 3.32Š|
| 226 | G | 37.1 | Very low | 37.5 | Very low | 77 Ų | 77 | 152.3 Ų | 152.3 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | -178.8 | 55.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 227 | D | 36.9 | Very low | 38.3 | Very low | 143 Ų | 143 | 157 Ų | 157 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | | | trans | 37.1 | 171.1 | 149.7 | -115.7 | 21.1 | 0 | 0 | 0 | 125.7 | | |
| 228 | Y | 38.6 | Very low | 38.8 | Very low | 214 Ų | 214 | 154.8 Ų | 154.8 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -55.7 | 153.1 | -167.5 | -48.3 | -95 | 0 | 0 | 0 | 118.7 | | |
| 229 | G | 37.6 | Very low | 39.6 | Very low | 75 Ų | 75 | 160.4 Ų | 160.4 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | | | trans | 165.2 | 103.2 | 146.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 230 | R | 37.4 | Very low | 40.8 | Very low | 251 Ų | 251 | 166.1 Ų | 166.1 | 95% | 0.947 | 82% | 0.823 | S | S | * | * | | | trans | -5.7 | 118.2 | 149.8 | 179.2 | -136.4 | -67 | -93.4 | 6 | 118 | | |
| 231 | G | 35 | Very low | 41.8 | Very low | 78 Ų | 78 | 169.2 Ų | 169.2 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | | | trans | -170.4 | 130.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 232 | R | 43.9 | Very low | 43.1 | Very low | 232 Ų | 232 | 172.2 Ų | 172.2 | 88% | 0.875 | 83% | 0.829 | S | S | * | * | | | trans | -86.4 | 139.9 | 166.2 | -63 | 179.1 | 178.3 | -146 | 5.5 | 110.7 | | |
| 233 | R | 44.2 | Very low | 43.7 | Very low | 234 Ų | 234 | 173 Ų | 173 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | | | | 172.4 | 153.4 | 111.5 | -94.4 | 164 | -66.5 | 177.2 | 5 | 113.3 | | |
| 234 | T | 48.3 | Very low | 43.6 | Very low | 119 Ų | 119 | 174.3 Ų | 174.3 | 73% | 0.73 | 83% | 0.834 | S | S | * | * | | | trans | -71.4 | 142.7 | 166 | 47.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 235 | L | 48.8 | Very low | 44.3 | Very low | 167 Ų | 167 | 172.6 Ų | 172.6 | 87% | 0.874 | 83% | 0.831 | S | S | * | * | | | trans | -129.3 | 99.6 | 169 | -72.8 | 176.6 | 0 | 0 | 0 | 111.3 | R237 | L235-R237 PolarHBondContact O-N 2.83Š|
| 236 | F | 43.8 | Very low | 45.2 | Very low | 208 Ų | 208 | 177.1 Ų | 177.1 | 91% | 0.912 | 84% | 0.838 | S | S | * | * | | | trans | -87.4 | 93.7 | 163.4 | -85.5 | -83.1 | 0 | 0 | 0 | 110 | | |
| 237 | R | 47.1 | Very low | 45.6 | Very low | 244 Ų | 244 | 181.6 Ų | 181.6 | 92% | 0.921 | 84% | 0.842 | S | S | * | * | | | trans | -144.3 | 132.3 | 148.2 | -83 | -168.3 | 177.3 | -145.9 | 1.2 | 106.6 | L235 | L235-R237 PolarHBondContact O-N 2.83Š|
| 238 | G | 41.3 | Very low | 45.6 | Very low | 78 Ų | 78 | 179.8 Ų | 179.8 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | | | cis | 112.5 | 73.5 | 12.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 239 | R | 45.8 | Very low | 45.6 | Very low | 218 Ų | 218 | 180.7 Ų | 180.7 | 82% | 0.823 | 84% | 0.842 | S | S | * | * | | | trans | -140.2 | 123 | 167.5 | -145 | -176.5 | -160.1 | -68.2 | 0.2 | 109.7 | | |
| 240 | R | 54.7 | Low | 45.5 | Very low | 238 Ų | 238 | 182.8 Ų | 182.8 | 90% | 0.898 | 84% | 0.842 | S | S | * | * | | | trans | -72.6 | 137.7 | 167.6 | -61.3 | 172 | 179.6 | 161.7 | -2.3 | 108.4 | | |
| 241 | R | 53.7 | Low | 45.6 | Very low | 209 Ų | 209 | 178.5 Ų | 178.5 | 79% | 0.789 | 83% | 0.833 | S | S | * | * | | | trans | -134.7 | 114 | 143 | -89.1 | -166.7 | 164.1 | 152.3 | -2.4 | 108.3 | | |
| 242 | R | 57.8 | Low | 46.2 | Very low | 228 Ų | 228 | 180.6 Ų | 180.6 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | | | trans | -103.7 | 102.4 | 160.3 | 164 | -153.4 | -69.3 | 149.4 | -6.4 | 103.1 | | |
| 243 | E | 47.8 | Very low | 46 | Very low | 160 Ų | 160 | 174.5 Ų | 174.5 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | | | trans | -174.9 | 91.6 | 174.6 | -104.2 | 157.3 | -87 | 0 | 0 | 106.9 | | |
| 244 | D | 45.2 | Very low | 45.7 | Very low | 165 Ų | 165 | 170.5 Ų | 170.5 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | | | trans | -153.9 | 29 | 163.6 | -107.4 | -35 | 0 | 0 | 0 | 111.3 | R246 | D244-R246 PolarHBondContact O-N 2.93Š|
| 245 | D | 50.6 | Low | 45.2 | Very low | 151 Ų | 151 | 169.1 Ų | 169.1 | 81% | 0.807 | 83% | 0.828 | S | S | * | * | | | trans | -88.2 | 77 | 170.7 | -82.4 | -60.7 | 0 | 0 | 0 | 110.1 | | |
| 246 | R | 53.2 | Low | 45.1 | Very low | 230 Ų | 230 | 170.2 Ų | 170.2 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | | | trans | -179.6 | 105.5 | 159 | -90.9 | 136.5 | -163.3 | -152.1 | 6.7 | 110.3 | D244 | D244-R246 PolarHBondContact O-N 2.93Š|
| 247 | I | 45.2 | Very low | 44.8 | Very low | 172 Ų | 172 | 166.4 Ų | 166.4 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | | | trans | -165.3 | 131.9 | 135.5 | -96.5 | 144.9 | 0 | 0 | 0 | 110 | | |
| 248 | S | 38.7 | Very low | 44.5 | Very low | 105 Ų | 105 | 164.6 Ų | 164.6 | 73% | 0.734 | 83% | 0.826 | S | S | * | * | | | trans | -12.3 | 128.1 | 171.5 | -49.3 | 0 | 0 | 0 | 0 | 120.7 | P250 | S248-P250 WeakPolarHBondContact O-CD 3.42Š|
| 249 | R | 37.8 | Very low | 44.5 | Very low | 232 Ų | 232 | 165.1 Ų | 165.1 | 88% | 0.875 | 82% | 0.823 | S | S | * | * | | | trans | -68.9 | 136.1 | 155.8 | 169.5 | -167.8 | -71.5 | -167 | -2.8 | 111 | | |
| 250 | P | 36.2 | Very low | 44.7 | Very low | 119 Ų | 119 | 160.5 Ų | 160.5 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | trans | -121.4 | 148.7 | 143.4 | 36.4 | -28 | 0 | 0 | 0 | 111.8 | S248 | S248-P250 WeakPolarHBondContact O-CD 3.42Š|
| 251 | H | 38.4 | Very low | 44.6 | Very low | 161 Ų | 161 | 154.9 Ų | 154.9 | 75% | 0.745 | 81% | 0.813 | S | S | * | * | | | trans | -150.4 | 135.2 | 167.8 | -149.8 | -22.2 | 0 | 0 | 0 | 107.8 | | |
| 252 | P | 47 | Very low | 45.1 | Very low | 122 Ų | 122 | 150.1 Ų | 150.1 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | | | | -133.5 | -175.9 | 125 | 36.1 | -25.3 | 0 | 0 | 0 | 111.6 | | |
| 253 | S | 40.8 | Very low | 45.5 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | trans | -107.5 | 148.6 | -163.2 | 53 | 0 | 0 | 0 | 0 | 114.9 | | |
| 254 | T | 38.3 | Very low | 46.3 | Very low | 151 Ų | 151 | 148.5 Ų | 148.5 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | | | trans | -135.4 | 169.9 | 150.6 | 50.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 255 | A | 37.6 | Very low | 47.7 | Very low | 90 Ų | 90 | 144.4 Ų | 144.4 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | trans | -106.4 | 156.6 | -153.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 256 | E | 46 | Very low | 48.9 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | | | trans | 43.2 | 113.1 | 150.9 | -63.8 | -171.8 | 152.4 | 0 | 0 | 121.6 | | |
| 257 | S | 37.6 | Very low | 50 | Low | 127 Ų | 127 | 137.7 Ų | 137.7 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | | | | -163.5 | 170.5 | 106.4 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 258 | K | 39.9 | Very low | 51.1 | Low | 206 Ų | 206 | 133.8 Ų | 133.8 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | | | trans | -84.5 | 133.8 | -164.2 | -69.6 | 179.8 | 179.6 | 174.9 | 0 | 114.7 | | |
| 259 | A | 43.2 | Very low | 52.8 | Low | 89 Ų | 89 | 133.8 Ų | 133.8 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | | | | -137.3 | 120.2 | 126.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | T261 | A259-T261 PolarHBondContact O-N 2.78Å; A259-T261 VanDerWaalsContact O-N 3.14Å |
| 260 | P | 50 | Low | 54.8 | Low | 122 Ų | 122 | 127.7 Ų | 127.7 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | | | trans | -73.2 | 107.8 | 176.7 | 29.3 | -31.8 | 0 | 0 | 0 | 109.2 | | |
| 261 | T | 50.8 | Low | 57.2 | Low | 119 Ų | 119 | 128.3 Ų | 128.3 | 73% | 0.73 | 73% | 0.734 | S | S | * | * | | | trans | -61.5 | 138.6 | 166 | 45.2 | 0 | 0 | 0 | 0 | 109.1 | A259 K263 | A259-T261 PolarHBondContact O-N 2.78Å; A259-T261 VanDerWaalsContact O-N 3.14Å; T261-K263 PolarHBondContact O-N 3.34Å |
| 262 | P | 64.2 | Low | 59.3 | Low | 110 Ų | 110 | 125.8 Ų | 125.8 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | | | trans | -65.3 | 111.7 | 177.5 | 26.2 | -32.9 | 0 | 0 | 0 | 108.8 | F264 | P262-F264 PolarHBondContact O-N 3.4Š|
| 263 | K | 66.7 | Low | 60.7 | Low | 175 Ų | 175 | 125 Ų | 125 | 76% | 0.761 | 73% | 0.727 | S | S | * | * | | | trans | -65.7 | 102.9 | 171.5 | -69.4 | -173.7 | 179.1 | -175.5 | 0 | 108.4 | T261 D265 | T261-K263 PolarHBondContact O-N 3.34Å; K263-D265 PolarHBondContact O-N 2.84Å |
| 264 | F | 65.1 | Low | 62.4 | Low | 179 Ų | 179 | 126.6 Ų | 126.6 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | | | trans | -69.9 | 79.4 | 159.6 | -96.5 | -93 | 0 | 0 | 0 | 108.1 | P262 L266 | P262-F264 PolarHBondContact O-N 3.4Å; F264-L266 VanDerWaalsContact C-N 3.34Å; F264-L266 WeakPolarHBondContact O-CD1 3.16Å; F264-L266 PolarHBondContact O-N 3.46Å |
| 265 | D | 74.3 | Confident | 63.9 | Low | 79 Ų | 79 | 126 Ų | 126 | 42% | 0.422 | 73% | 0.725 | S | S | . | * | | | trans | -69.8 | 94.3 | 167.4 | -91.2 | -44 | 0 | 0 | 0 | 107.9 | K263 L267 N270 | K263-D265 PolarHBondContact O-N 2.84Å; D265-L267 HydrophobicContact CB-CD1 4.49Å; D265-L267 HydrophobicContact CB-CG 4.37Å; D265-L267 PolarHBondContact O-N 2.92Å; D265-N270 WeakPolarHBondContact CB-ND2 3.18Å; D265-N270 WeakPolarHBondContact O-CB 3.23Å; D265-N270 PolarHBondContact O-ND2 3.01Å |
| 266 | L | 76.2 | Confident | 65.2 | Low | 137 Ų | 137 | 125.6 Ų | 125.6 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | | | trans | -68.3 | 20.2 | 175.1 | -71.5 | 114.5 | 0 | 0 | 0 | 113.5 | F264 | F264-L266 VanDerWaalsContact C-N 3.34Å; F264-L266 WeakPolarHBondContact O-CD1 3.16Å; F264-L266 PolarHBondContact O-N 3.46Å |
| 267 | L | 76.6 | Confident | 65.7 | Low | 103 Ų | 103 | 120.1 Ų | 120.1 | 54% | 0.539 | 71% | 0.712 | S | S | . | * | | | trans | -63.8 | 140.1 | 173.2 | -59.6 | 178.5 | 0 | 0 | 0 | 109.3 | D265 S269 N270 | D265-L267 HydrophobicContact CB-CD1 4.49Å; D265-L267 HydrophobicContact CB-CG 4.37Å; D265-L267 PolarHBondContact O-N 2.92Å; L267-S269 PolarHBondContact O-N 3Å; L267-N270 PolarHBondContact O-N 2.97Å |
| 268 | A | 68.1 | Low | 66.5 | Low | 89 Ų | 89 | 119.6 Ų | 119.6 | 74% | 0.736 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -57.1 | -24.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N270 | A268-N270 VanDerWaalsContact C-N 3.34Å; A268-N270 PolarHBondContact O-N 2.96Å |
| 269 | S | 73.8 | Confident | 67 | Low | 105 Ų | 105 | 115 Ų | 115 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -71.1 | -17.2 | 175.7 | 49 | 0 | 0 | 0 | 0 | 115.4 | L267 | L267-S269 PolarHBondContact O-N 3Š|
| 270 | N | 81.2 | Confident | 67.2 | Low | 105 Ų | 105 | 122.3 Ų | 122.3 | 56% | 0.561 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -89.9 | -7.2 | 177.8 | -98.4 | -19.2 | 0 | 0 | 0 | 113.7 | D265 L267 A268 | D265-N270 WeakPolarHBondContact CB-ND2 3.18Å; D265-N270 WeakPolarHBondContact O-CB 3.23Å; D265-N270 PolarHBondContact O-ND2 3.01Å; L267-N270 PolarHBondContact O-N 2.97Å; A268-N270 VanDerWaalsContact C-N 3.34Å; A268-N270 PolarHBondContact O-N 2.96Å |
| 271 | F | 84.6 | Confident | 66.7 | Low | 131 Ų | 131 | 123.4 Ų | 123.4 | 58% | 0.575 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -81.4 | 128.8 | 170.4 | -68.3 | -89.9 | 0 | 0 | 0 | 108.7 | | |
| 272 | P | 83.1 | Confident | 66.3 | Low | 108 Ų | 108 | 124.1 Ų | 124.1 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 137.7 | 176.3 | 26.1 | -33.7 | 0 | 0 | 0 | 109.4 | L274 | P272-L274 PolarHBondContact O-N 3.21Š|
| 273 | P | 77.1 | Confident | 65.3 | Low | 107 Ų | 107 | 121.8 Ų | 121.8 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 130.1 | -176.4 | 24 | -33.6 | 0 | 0 | 0 | 110.2 | | |
| 274 | L | 76.6 | Confident | 64.5 | Low | 137 Ų | 137 | 121.8 Ų | 121.8 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 138.3 | -179.1 | -64.2 | 178.6 | 0 | 0 | 0 | 110.2 | P272 G276 S277 | P272-L274 PolarHBondContact O-N 3.21Å; L274-G276 PolarHBondContact O-N 3.33Å; L274-G276 VanDerWaalsContact O-N 3.07Å; L274-S277 WeakPolarHBondContact O-CB 3.25Å; L274-S277 PolarHBondContact O-N 3.19Å |
| 275 | P | 69.2 | Low | 63.6 | Low | 138 Ų | 138 | 121.1 Ų | 121.1 | 90% | 0.896 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 117 | 177.3 | -27.1 | 35.3 | 0 | 0 | 0 | 111.6 | | |
| 276 | G | 64.6 | Low | 62.4 | Low | 81 Ų | 81 | 123.4 Ų | 123.4 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.4 | -8.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L274 S278 | L274-G276 PolarHBondContact O-N 3.33Å; L274-G276 VanDerWaalsContact O-N 3.07Å; G276-S278 PolarHBondContact O-N 3Å; G276-S278 VanDerWaalsContact O-N 3.13Å |
| 277 | S | 56.4 | Low | 61 | Low | 75 Ų | 75 | 125.1 Ų | 125.1 | 52% | 0.524 | 74% | 0.742 | S | S | . | * | | | trans | -82.3 | 86.3 | 177.7 | -167.2 | 0 | 0 | 0 | 0 | 112.2 | L274 S279 | L274-S277 WeakPolarHBondContact O-CB 3.25Å; L274-S277 PolarHBondContact O-N 3.19Å; S277-S279 PolarHBondContact O-N 3.46Å; S277-S279 VanDerWaalsContact O-N 3.11Å |
| 278 | S | 55.8 | Low | 59.7 | Low | 116 Ų | 116 | 126.7 Ų | 126.7 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | | | trans | -79.3 | 82.5 | 170.9 | -70.5 | 0 | 0 | 0 | 0 | 111.5 | G276 R280 | G276-S278 PolarHBondContact O-N 3Å; G276-S278 VanDerWaalsContact O-N 3.13Å; S278-R280 PolarHBondContact O-N 3.2Å |
| 279 | S | 49.9 | Very low | 59 | Low | 109 Ų | 109 | 127.3 Ų | 127.3 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | | | trans | -71.5 | 83.6 | 176 | 60.6 | 0 | 0 | 0 | 0 | 112.5 | S277 | S277-S279 PolarHBondContact O-N 3.46Å; S277-S279 VanDerWaalsContact O-N 3.11Å |
| 280 | R | 46.8 | Very low | 58.5 | Low | 243 Ų | 243 | 133.1 Ų | 133.1 | 92% | 0.917 | 74% | 0.743 | S | S | * | * | | | trans | -90.2 | 113.9 | 157 | -84.8 | -167 | 178.3 | -166 | 1.6 | 109.8 | S278 | S278-R280 PolarHBondContact O-N 3.2Š|
| 281 | M | 38.9 | Very low | 57 | Low | 146 Ų | 146 | 135.2 Ų | 135.2 | 72% | 0.719 | 75% | 0.751 | S | S | * | * | | | trans | -117.6 | 143 | 144.4 | -66 | -126.6 | 74.7 | 0 | 0 | 105 | G283 | M281-G283 WeakPolarHBondContact CE-O 3.42Š|
| 282 | P | 43.5 | Very low | 55.6 | Low | 134 Ų | 134 | 133.1 Ų | 133.1 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | S | Bend | cis | -111.5 | 169 | 46.5 | 39.7 | -35.6 | 0 | 0 | 0 | 114.5 | | |
| 283 | G | 42.6 | Very low | 54.5 | Low | 61 Ų | 61 | 133.7 Ų | 133.7 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | | | trans | 104.9 | 106.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M281 L285 | M281-G283 WeakPolarHBondContact CE-O 3.42Å; G283-L285 PolarHBondContact O-N 2.88Å |
| 284 | E | 49.7 | Very low | 53.6 | Low | 175 Ų | 175 | 134.9 Ų | 134.9 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | trans | -72.9 | 116.1 | 168.7 | 175.7 | -177.9 | 179.8 | 0 | 0 | 109.6 | | |
| 285 | L | 47.3 | Very low | 52.7 | Low | 164 Ų | 164 | 134.8 Ų | 134.8 | 86% | 0.859 | 76% | 0.76 | S | S | * | * | | | trans | -139.2 | 130.9 | 157.4 | -77.1 | -178.7 | 0 | 0 | 0 | 109 | G283 L287 | G283-L285 PolarHBondContact O-N 2.88Å; L285-L287 PolarHBondContact O-N 3.19Å |
| 286 | V | 47.9 | Very low | 52.3 | Low | 127 Ų | 127 | 137 Ų | 137 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | | | trans | -64.6 | 118.7 | -176.6 | 175.8 | 0 | 0 | 0 | 0 | 110 | E288 | V286-E288 VanDerWaalsContact C-N 3.31Å; V286-E288 PolarHBondContact O-N 2.96Å |
| 287 | L | 48 | Very low | 51.7 | Low | 173 Ų | 173 | 136.7 Ų | 136.7 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | | | trans | -72.6 | 92.1 | 163.8 | -75.8 | 177.9 | 0 | 0 | 0 | 108.7 | L285 N289 | L285-L287 PolarHBondContact O-N 3.19Å; L287-N289 PolarHBondContact O-N 2.96Å |
| 288 | E | 48.7 | Very low | 51.4 | Low | 137 Ų | 137 | 140.1 Ų | 140.1 | 64% | 0.64 | 77% | 0.77 | S | S | * | * | | | trans | -52.5 | 126.8 | 176.5 | -175.8 | 180 | -147.9 | 0 | 0 | 111.2 | V286 R290 | V286-E288 VanDerWaalsContact C-N 3.31Å; V286-E288 PolarHBondContact O-N 2.96Å; E288-R290 VanDerWaalsContact C-N 3.34Å; E288-R290 PolarHBondContact O-N 3.34Å |
| 289 | N | 52.4 | Low | 50.7 | Low | 101 Ų | 101 | 144.7 Ų | 144.7 | 54% | 0.54 | 77% | 0.771 | S | S | . | * | | | trans | -73.5 | 84.2 | -179.1 | 178.9 | 38.8 | 0 | 0 | 0 | 110.6 | L287 M291 S292 | L287-N289 PolarHBondContact O-N 2.96Å; N289-M291 PolarHBondContact O-N 3.02Å; N289-M291 VanDerWaalsContact OD1-CE 3.28Å; N289-M291 WeakPolarHBondContact OD1-CE 3.35Å; N289-S292 PolarHBondContact O-N 3.44Å; N289-S292 PolarHBondContact O-OG 2.93Å |
| 290 | R | 63.8 | Low | 50.5 | Low | 227 Ų | 227 | 147.1 Ų | 147.1 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 39.3 | -176.2 | -72.6 | -177.4 | 167.9 | -173.7 | -4.7 | 116.2 | E288 | E288-R290 VanDerWaalsContact C-N 3.34Å; E288-R290 PolarHBondContact O-N 3.34Å |
| 291 | M | 49.4 | Very low | 50.2 | Low | 149 Ų | 149 | 144.2 Ų | 144.2 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | -0.9 | 168.9 | -69.4 | 177.9 | -75 | 0 | 0 | 112.1 | N289 | N289-M291 PolarHBondContact O-N 3.02Å; N289-M291 VanDerWaalsContact OD1-CE 3.28Å; N289-M291 WeakPolarHBondContact OD1-CE 3.35Å |
| 292 | S | 56.5 | Low | 50.7 | Low | 87 Ų | 87 | 146.5 Ų | 146.5 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -87.7 | -12.4 | -177 | 50.3 | 0 | 0 | 0 | 0 | 115.9 | N289 | N289-S292 PolarHBondContact O-N 3.44Å; N289-S292 PolarHBondContact O-OG 2.93Å |
| 293 | D | 58.7 | Low | 50.6 | Low | 121 Ų | 121 | 146.6 Ų | 146.6 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | | | trans | -118.8 | 73.8 | -177.6 | -163 | 19.4 | 0 | 0 | 0 | 113.3 | | |
| 294 | V | 59.9 | Low | 50.1 | Low | 132 Ų | 132 | 150.8 Ų | 150.8 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -126.2 | 21.1 | 169.2 | -157.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 295 | V | 57.3 | Low | 49.8 | Very low | 135 Ų | 135 | 149.6 Ų | 149.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -132.1 | 1 | -170 | -163.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 296 | K | 59.6 | Low | 49.3 | Very low | 184 Ų | 184 | 150.1 Ų | 150.1 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -123.2 | 104.3 | 173 | -85.3 | -171.3 | 172.2 | -178.5 | 0 | 114.5 | | |
| 297 | G | 53.1 | Low | 49 | Very low | 75 Ų | 75 | 151.2 Ų | 151.2 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | | | | 65.9 | 97.7 | 130 | 0 | 0 | 0 | 0 | 0 | 118.2 | Y299 | G297-Y299 PolarHBondContact O-N 3.3Š|
| 298 | V | 49.8 | Very low | 48 | Very low | 146 Ų | 146 | 147.9 Ų | 147.9 | 89% | 0.885 | 75% | 0.752 | S | S | * | * | | | trans | -55.1 | 124.1 | 161 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 299 | Y | 40.1 | Very low | 46.9 | Very low | 212 Ų | 212 | 148.8 Ų | 148.8 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | | | trans | -139.3 | 99 | 162.2 | -154.7 | -93 | 0 | 0 | 0 | 113.9 | G297 | G297-Y299 PolarHBondContact O-N 3.3Š|
| 300 | K | 45.5 | Very low | 45.7 | Very low | 161 Ų | 161 | 149.1 Ų | 149.1 | 70% | 0.7 | 77% | 0.77 | S | S | * | * | | | trans | 30.7 | 94.8 | 149.4 | -58 | -56.6 | -173.8 | 178.7 | 0 | 118.5 | | |
| 301 | E | 42 | Very low | 44.1 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | | -46.3 | 135 | 129.7 | 174.2 | -179.5 | -132.3 | 0 | 0 | 110.7 | | |
| 302 | K | 48.4 | Very low | 43.5 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | | | trans | -161.8 | 123.2 | 159.9 | -162.5 | -169.6 | 177 | -163.4 | 0 | 110.1 | | |
| 303 | D | 41.3 | Very low | 42.2 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | trans | -68.1 | 152.8 | 173.6 | -44.6 | -91.9 | 0 | 0 | 0 | 112.3 | | |
| 304 | N | 31.8 | Very low | 41.1 | Very low | 149 Ų | 149 | 144.6 Ų | 144.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -153.9 | 147.8 | 149.4 | -167.4 | -149.8 | 0 | 0 | 0 | 109.8 | | |
| 305 | E | 43.5 | Very low | 39.6 | Very low | 149 Ų | 149 | 142 Ų | 142 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | | | trans | -100.2 | 165.6 | -166.5 | 54.3 | -96.1 | 77.1 | 0 | 0 | 115.4 | | |
| 306 | E | 38.6 | Very low | 38.3 | Very low | 176 Ų | 176 | 142.8 Ų | 142.8 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | 76.6 | 165 | 157.8 | -159.3 | 159 | -141.4 | 0 | 0 | 119.2 | | |
| 307 | L | 39.9 | Very low | 37.1 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | trans | 83.1 | 83.4 | -178.8 | -56.2 | 172.7 | 0 | 0 | 0 | 116.1 | | |
| 308 | T | 27.1 | Very low | 36 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 64% | 0.638 | 77% | 0.769 | S | S | * | * | | | | 89.5 | 121.1 | 70.5 | 57.4 | 0 | 0 | 0 | 0 | 116.1 | | |
| 309 | I | 26.9 | Very low | 35.1 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | | | trans | 81.4 | 120 | 138.1 | -65.5 | 167.1 | 0 | 0 | 0 | 120 | | |
| 310 | S | 26.7 | Very low | 34.4 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | 70.3 | 126.3 | 150.8 | -145.1 | 0 | 0 | 0 | 0 | 121.5 | | |
| 311 | C | 29.7 | Very low | 33.4 | Very low | 112 Ų | 112 | 138.9 Ų | 138.9 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | | | trans | -65.5 | 162.4 | 148.4 | -49.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 312 | P | 37.4 | Very low | 32.7 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | | | | -134.5 | 157.9 | 121.8 | 37.3 | -29.4 | 0 | 0 | 0 | 114 | | |
| 313 | V | 29.6 | Very low | 31.7 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | | | trans | -85.2 | 146 | 167 | 171.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 314 | P | 34.1 | Very low | 31.2 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | | | trans | -115.3 | 154.3 | 142.6 | 35.3 | -28.5 | 0 | 0 | 0 | 111.4 | | |
| 315 | A | 28.9 | Very low | 31.2 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 63% | 0.628 | 75% | 0.747 | S | S | * | * | | | trans | -119.3 | -175 | 179 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 316 | D | 30.9 | Very low | 30.6 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 81% | 0.813 | 75% | 0.751 | S | S | * | * | | | trans | 71.1 | 141.9 | 169.8 | -52.4 | -25.5 | 0 | 0 | 0 | 115.7 | | |
| 317 | E | 32.9 | Very low | 30.2 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | | | cis | -159.5 | 168.1 | -3.3 | -133.8 | -166.7 | 170.4 | 0 | 0 | 112.3 | | |
| 318 | Q | 31.2 | Very low | 29.6 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | | | trans | 67.6 | 144.7 | 160.3 | -61.8 | 166.9 | 48.4 | 0 | 0 | 117.3 | | |
| 319 | T | 30.2 | Very low | 29.8 | Very low | 114 Ų | 114 | 131 Ų | 131 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | | | cis | -146.4 | 138.8 | 6.5 | -31.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 320 | E | 26 | Very low | 29.9 | Very low | 172 Ų | 172 | 127.9 Ų | 127.9 | 80% | 0.804 | 74% | 0.741 | S | S | * | * | | | trans | 36.1 | 136.8 | 152.3 | -68.3 | -173.7 | 117.5 | 0 | 0 | 126.5 | | |
| 321 | C | 25.6 | Very low | 30.1 | Very low | 103 Ų | 103 | 129 Ų | 129 | 70% | 0.696 | 74% | 0.743 | S | S | * | * | | | trans | 87.2 | 93 | 133.9 | -81.1 | 0 | 0 | 0 | 0 | 124.1 | | |
| 322 | T | 26.3 | Very low | 30.2 | Very low | 129 Ų | 129 | 129.8 Ų | 129.8 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | | 103 | 122.6 | 105.4 | -65.2 | 0 | 0 | 0 | 0 | 121.7 | | |
| 323 | S | 28.3 | Very low | 30 | Very low | 106 Ų | 106 | 129 Ų | 129 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | | | trans | 87 | 92.7 | 146.3 | -171.5 | 0 | 0 | 0 | 0 | 122.4 | | |
| 324 | A | 30 | Very low | 30.5 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 66% | 0.661 | 75% | 0.748 | S | S | * | * | | | | 91.5 | 147.6 | 118.6 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 325 | Q | 32.4 | Very low | 30.1 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | | | trans | 69.6 | 105.3 | 160.6 | -71.8 | 162.7 | 5.8 | 0 | 0 | 117.1 | | |
| 326 | Q | 29.5 | Very low | 30.1 | Very low | 167 Ų | 167 | 129.5 Ų | 129.5 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | | | | 73.9 | 134.6 | 82.7 | -74.2 | -176 | -17 | 0 | 0 | 112.6 | | |
| 327 | L | 30.7 | Very low | 30 | Very low | 155 Ų | 155 | 126.9 Ų | 126.9 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | | | cis | -153.9 | 164.5 | -5.1 | -116.7 | 165.8 | 0 | 0 | 0 | 108.7 | | |
| 328 | N | 27.7 | Very low | 29.6 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | | | trans | -135.4 | 168.1 | -175.9 | -165.5 | 14.6 | 0 | 0 | 0 | 112 | | |
| 329 | M | 30.8 | Very low | 29.5 | Very low | 141 Ų | 141 | 128.4 Ų | 128.4 | 70% | 0.695 | 77% | 0.767 | S | S | * | * | | | trans | 77.4 | 97.8 | 165.8 | -56.5 | -79.8 | 71.8 | 0 | 0 | 119.8 | | |
| 330 | S | 29.9 | Very low | 29.2 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | | | | 4.3 | 139.7 | 119.6 | -46.1 | 0 | 0 | 0 | 0 | 121 | | |
| 331 | T | 30.1 | Very low | 29.3 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | 56.6 | 111.4 | 137.2 | 56.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 332 | S | 31.7 | Very low | 29.5 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 90% | 0.895 | 77% | 0.771 | S | S | * | * | | | | -179.9 | 176.1 | 117.5 | 45.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 333 | S | 33 | Very low | 29.6 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | trans | -127.5 | 149.1 | 175.5 | 164.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 334 | P | 39.8 | Very low | 29.9 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | | | | -134.1 | -150.8 | 126.2 | 38.4 | -26.9 | 0 | 0 | 0 | 112.3 | | |
| 335 | C | 26 | Very low | 29.9 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -144.7 | 169.1 | -156 | -164.8 | 0 | 0 | 0 | 0 | 114 | | |
| 336 | A | 28.7 | Very low | 29.8 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | 85.4 | 134 | 159.6 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 337 | A | 28.1 | Very low | 29.9 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | 53.9 | 143.6 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 338 | E | 25 | Very low | 29.8 | Very low | 186 Ų | 186 | 126 Ų | 126 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | | | cis | -143.1 | -167.3 | 26.4 | -95.4 | -154.7 | 100.2 | 0 | 0 | 114.2 | | |
| 339 | L | 28.6 | Very low | 30.3 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | | | trans | -81.1 | -176 | 175.6 | -55 | 171.8 | 0 | 0 | 0 | 111.9 | | |
| 340 | T | 24.8 | Very low | 30.1 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | | | cis | -157.9 | 167.6 | 6.2 | -16.4 | 0 | 0 | 0 | 0 | 106.3 | | |
| 341 | A | 28.2 | Very low | 30.1 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | | | cis | -134.6 | -136.6 | -0.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 342 | L | 29.4 | Very low | 30.2 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | | | cis | -138.3 | 136.1 | 5.2 | -81.9 | 173 | 0 | 0 | 0 | 106.4 | | |
| 343 | S | 28.1 | Very low | 30.3 | Very low | 98 Ų | 98 | 132.8 Ų | 132.8 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | | 89.8 | 94.2 | 65.8 | -61.1 | 0 | 0 | 0 | 0 | 115.8 | | |
| 344 | T | 35.1 | Very low | 30.1 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | | | trans | -136 | 145.3 | 140.6 | -44.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 345 | T | 29.9 | Very low | 29.7 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 66% | 0.663 | 75% | 0.752 | S | S | * | * | | | trans | -95.1 | 143.1 | -160.7 | 37.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 346 | Q | 30.8 | Very low | 29.8 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 73% | 0.729 | 75% | 0.75 | S | S | * | * | | | | 65.2 | 152.2 | 97.1 | -55.8 | 176.1 | -50 | 0 | 0 | 115.4 | | |
| 347 | Q | 31.5 | Very low | 29.9 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | | | cis | -159.1 | 179.3 | -0.2 | -130.9 | 165.4 | -41.1 | 0 | 0 | 113 | | |
| 348 | E | 28.3 | Very low | 30.1 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 59% | 0.593 | 76% | 0.757 | S | S | * | * | | | trans | -6.2 | 162.3 | 149.5 | -75.3 | 172.2 | 86.8 | 0 | 0 | 121.1 | | |
| 349 | K | 37.6 | Very low | 30.6 | Very low | 158 Ų | 158 | 138.7 Ų | 138.7 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | | | cis | -145.1 | -146.3 | 20.5 | -136.4 | 173.6 | 175.4 | 78.5 | 0 | 110.4 | | |
| 350 | D | 26.5 | Very low | 30.5 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | cis | -154 | -161 | 4.2 | -138.3 | -32.1 | 0 | 0 | 0 | 114 | | |
| 351 | L | 30.3 | Very low | 30.6 | Very low | 151 Ų | 151 | 135.4 Ų | 135.4 | 79% | 0.791 | 75% | 0.745 | S | S | * | * | | | trans | -119.4 | 170.6 | -169.3 | -160.7 | 89.9 | 0 | 0 | 0 | 114.3 | | |
| 352 | I | 33.4 | Very low | 30.7 | Very low | 136 Ų | 136 | 139 Ų | 139 | 70% | 0.697 | 75% | 0.753 | S | S | * | * | | | trans | 138.8 | 130.9 | 141.2 | -73.7 | 167.8 | 0 | 0 | 0 | 116.1 | | |
| 353 | E | 32.3 | Very low | 30.7 | Very low | 179 Ų | 179 | 137.6 Ų | 137.6 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | | | trans | 32.6 | 154 | 148.3 | -67.9 | 174.3 | 162.8 | 0 | 0 | 123.4 | | |
| 354 | D | 28.7 | Very low | 30.9 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 76% | 0.759 | 75% | 0.749 | S | S | * | * | | | cis | -168.8 | 170.2 | -16.6 | -172.1 | 16.1 | 0 | 0 | 0 | 109 | | |
| 355 | S | 32.6 | Very low | 30.6 | Very low | 101 Ų | 101 | 139.1 Ų | 139.1 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | | | trans | 172.1 | 132.5 | 138.4 | 42 | 0 | 0 | 0 | 0 | 117.1 | | |
| 356 | S | 28.7 | Very low | 30.6 | Very low | 117 Ų | 117 | 139.7 Ų | 139.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | 64.4 | 105.7 | 151.9 | 59.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 357 | V | 30.3 | Very low | 30.8 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | | | trans | -83.4 | 149.5 | 166.9 | 168 | 0 | 0 | 0 | 0 | 111.8 | | |
| 358 | Q | 31.5 | Very low | 31.3 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 92% | 0.916 | 75% | 0.75 | S | S | * | * | | | trans | -146.4 | 141.7 | 138.4 | -117.4 | 171.3 | 31.6 | 0 | 0 | 113.3 | | |
| 359 | K | 34.9 | Very low | 31.4 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 74% | 0.739 | 76% | 0.762 | S | S | * | * | | | trans | -85.5 | -178.2 | 170.4 | -61.7 | 168.4 | 142.4 | -166.1 | 0 | 109.3 | | |
| 360 | D | 27.9 | Very low | 31.2 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | | | cis | -143.5 | 174.7 | 14.8 | -78 | -75.9 | 0 | 0 | 0 | 108.7 | | |
| 361 | G | 26.2 | Very low | 32.2 | Very low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | | | cis | 168.5 | 134.7 | -8.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 362 | L | 31 | Very low | 33.1 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | | | trans | 68.7 | 146 | 157 | -122 | 73.4 | 0 | 0 | 0 | 122.9 | | |
| 363 | N | 28.6 | Very low | 32.9 | Very low | 125 Ų | 125 | 132.8 Ų | 132.8 | 67% | 0.668 | 77% | 0.769 | S | S | * | * | | | trans | 77.6 | 134.7 | 163.2 | -55.4 | -47.9 | 0 | 0 | 0 | 118.2 | | |
| 364 | Q | 33.2 | Very low | 32.9 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 76% | 0.757 | 77% | 0.768 | S | S | * | * | | | cis | -158.1 | 155.2 | -5.2 | -127.6 | 177 | 74.7 | 0 | 0 | 111.3 | | |
| 365 | T | 27.9 | Very low | 33.1 | Very low | 116 Ų | 116 | 130 Ų | 130 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | | | trans | 31.6 | 135.3 | 151.8 | 6.7 | 0 | 0 | 0 | 0 | 120.7 | | |
| 366 | T | 30.2 | Very low | 33.4 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | cis | -156.7 | 152.7 | 25.9 | -56 | 0 | 0 | 0 | 0 | 111.7 | | |
| 367 | I | 34.6 | Very low | 33.8 | Very low | 161 Ų | 161 | 135.1 Ų | 135.1 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | | | trans | -123.3 | 137.8 | 171.8 | -79.3 | 174.4 | 0 | 0 | 0 | 106.4 | | |
| 368 | P | 42.9 | Very low | 34 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | | | | -159.1 | 174.7 | 92.6 | 41.6 | -19.4 | 0 | 0 | 0 | 120.1 | | |
| 369 | V | 29.3 | Very low | 34.3 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | | | trans | 82.6 | 105.6 | 159.7 | -164.4 | 0 | 0 | 0 | 0 | 119.5 | | |
| 370 | S | 33.7 | Very low | 34.7 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | trans | -106.4 | -175.8 | 141.4 | 66.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 371 | P | 47.4 | Very low | 35.7 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | | | cis | -137.4 | -127.4 | 13 | 32.6 | -5.3 | 0 | 0 | 0 | 113.3 | | |
| 372 | P | 49.6 | Very low | 37.4 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | | -119.6 | 167.5 | -83.2 | 31.1 | -14.4 | 0 | 0 | 0 | 115.1 | | |
| 373 | S | 29.1 | Very low | 38.7 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | | | trans | -154.8 | 124.8 | 150 | 64.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 374 | T | 33.3 | Very low | 40.5 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | trans | -78.4 | 134.3 | 177 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 375 | T | 31.4 | Very low | 42.4 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | | | trans | -172.9 | 143.3 | 134.1 | 13.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 376 | K | 39.8 | Very low | 44.2 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | | | trans | -88.6 | 144.4 | 152.5 | -66.7 | 177 | 179.6 | 175 | 0 | 108 | | |
| 377 | P | 36.2 | Very low | 46 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | | | trans | -133.8 | 154.1 | 133 | 36.6 | -27.7 | 0 | 0 | 0 | 113 | | |
| 378 | S | 36.3 | Very low | 47.7 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | | | trans | -94.4 | 122.9 | 168.3 | 175.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 379 | R | 37.7 | Very low | 48.8 | Very low | 213 Ų | 213 | 137 Ų | 137 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | -170.2 | 142.7 | 150.8 | -117.4 | 175.7 | 147.1 | 109.6 | 1.1 | 114.7 | | |
| 380 | E | 41.3 | Very low | 50.8 | Low | 141 Ų | 141 | 134.1 Ų | 134.1 | 66% | 0.659 | 73% | 0.728 | S | S | * | * | | | trans | 62.2 | 138.4 | 150.9 | -74.4 | 162.9 | -142.6 | 0 | 0 | 121 | R382 | E380-R382 PolarHBondContact O-N 3.49Š|
| 381 | P | 50.3 | Low | 52.6 | Low | 122 Ų | 122 | 136.5 Ų | 136.5 | 79% | 0.792 | 73% | 0.728 | S | S | * | * | | | trans | -72.1 | 127.1 | 173.2 | 30.7 | -33.2 | 0 | 0 | 0 | 110.2 | K383 | P381-K383 PolarHBondContact O-N 3.06Š|
| 382 | R | 62.2 | Low | 53 | Low | 239 Ų | 239 | 140.4 Ų | 140.4 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | | | trans | -60.4 | 126.6 | 177 | -67.7 | -177.5 | 178.4 | 125.7 | 1 | 110.2 | E380 L384 | E380-R382 PolarHBondContact O-N 3.49Å; R382-L384 PolarHBondContact O-N 2.9Å |
| 383 | K | 57.3 | Low | 53.7 | Low | 207 Ų | 207 | 140.2 Ų | 140.2 | 90% | 0.9 | 73% | 0.732 | S | S | * | * | | | trans | -68.3 | 112.1 | 170.4 | -64.3 | 173.4 | -175.6 | 171.3 | 0 | 107.7 | P381 | P381-K383 PolarHBondContact O-N 3.06Š|
| 384 | L | 67.6 | Low | 55 | Low | 124 Ų | 124 | 140.4 Ų | 140.4 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | | | trans | -58.7 | 140.3 | 174.8 | -66.8 | 171.7 | 0 | 0 | 0 | 110.1 | R382 E388 V389 | R382-L384 PolarHBondContact O-N 2.9Å; L384-E388 WeakPolarHBondContact CA-OE2 3.43Å; L384-V389 HydrophobicContact CB-CG2 4.37Å |
| 385 | S | 72.8 | Confident | 55.6 | Low | 65 Ų | 65 | 143.9 Ų | 143.9 | 46% | 0.455 | 73% | 0.734 | S | S | . | * | | | trans | -67.5 | 146.5 | 175.1 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | A387 E388 V389 | S385-A387 PolarHBondContact O-N 3.38Å; S385-A387 VanDerWaalsContact O-N 3.14Å; S385-E388 WeakPolarHBondContact CB-OE2 3.5Å; S385-E388 PolarHBondContact N-OE2 3.46Å; S385-E388 WeakPolarHBondContact O-CB 3.37Å; S385-E388 PolarHBondContact O-N 2.99Å; S385-V389 PolarHBondContact O-N 2.83Å |
| 386 | Y | 65.5 | Low | 55.9 | Low | 190 Ų | 190 | 146.4 Ų | 146.4 | 75% | 0.745 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -56.3 | -32.5 | 176.9 | -170.2 | -96.8 | 0 | 0 | 0 | 112 | E388 V389 C390 | Y386-E388 VanDerWaalsContact C-N 3.28Å; Y386-E388 PolarHBondContact O-N 3.02Å; Y386-V389 PolarHBondContact O-N 3.44Å; Y386-C390 PolarHBondContact O-N 2.61Å; Y386-C390 PolarHBondContact O-SG 3.35Å |
| 387 | A | 67.4 | Low | 56.2 | Low | 65 Ų | 65 | 142.7 Ų | 142.7 | 54% | 0.537 | 73% | 0.733 | S | S | . | * | H | α-helix | trans | -66.7 | -23 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S385 Q391 | S385-A387 PolarHBondContact O-N 3.38Å; S385-A387 VanDerWaalsContact O-N 3.14Å; A387-Q391 WeakPolarHBondContact O-CG 3.23Å |
| 388 | E | 70.1 | Confident | 56.1 | Low | 107 Ų | 107 | 142 Ų | 142 | 50% | 0.5 | 73% | 0.731 | S | S | . | * | H | α-helix | trans | -82.8 | -38.5 | 176.5 | -62 | 172 | 121 | 0 | 0 | 110.6 | L384 S385 Y386 C390 Q391 | L384-E388 WeakPolarHBondContact CA-OE2 3.43Å; S385-E388 WeakPolarHBondContact CB-OE2 3.5Å; S385-E388 PolarHBondContact N-OE2 3.46Å; S385-E388 WeakPolarHBondContact O-CB 3.37Å; S385-E388 PolarHBondContact O-N 2.99Å; Y386-E388 VanDerWaalsContact C-N 3.28Å; Y386-E388 PolarHBondContact O-N 3.02Å; E388-C390 VanDerWaalsContact C-N 3.29Å; E388-C390 PolarHBondContact O-N 3.36Å; E388-Q391 PolarHBondContact O-N 2.73Å |
| 389 | V | 66.5 | Low | 56.1 | Low | 104 Ų | 104 | 142.1 Ų | 142.1 | 63% | 0.63 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -67.5 | -28.2 | 178.9 | -178.4 | 0 | 0 | 0 | 0 | 112.5 | L384 S385 Y386 | L384-V389 HydrophobicContact CB-CG2 4.37Å; S385-V389 PolarHBondContact O-N 2.83Å; Y386-V389 PolarHBondContact O-N 3.44Å |
| 390 | C | 71.2 | Confident | 56 | Low | 77 Ų | 77 | 137.8 Ų | 137.8 | 52% | 0.52 | 73% | 0.729 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.9 | -4.4 | -179.5 | -70.2 | 0 | 0 | 0 | 0 | 115.2 | Y386 E388 K392 | Y386-C390 PolarHBondContact O-N 2.61Å; Y386-C390 PolarHBondContact O-SG 3.35Å; E388-C390 VanDerWaalsContact C-N 3.29Å; E388-C390 PolarHBondContact O-N 3.36Å; C390-K392 PolarHBondContact O-N 3.33Å |
| 391 | Q | 71 | Confident | 55.8 | Low | 149 Ų | 149 | 138.7 Ų | 138.7 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | | | trans | -77.8 | 114.1 | 178.6 | -64.1 | -169.4 | 41.4 | 0 | 0 | 111.2 | A387 E388 | A387-Q391 WeakPolarHBondContact O-CG 3.23Å; E388-Q391 PolarHBondContact O-N 2.73Å |
| 392 | K | 55.7 | Low | 55.2 | Low | 197 Ų | 197 | 138.4 Ų | 138.4 | 86% | 0.857 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 132.7 | 166.1 | -75.9 | 175.8 | 177.3 | 168.9 | 0 | 108.9 | C390 | C390-K392 PolarHBondContact O-N 3.33Š|
| 393 | P | 65.9 | Low | 54.2 | Low | 114 Ų | 114 | 134.7 Ų | 134.7 | 74% | 0.74 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 145.7 | 170.6 | 26.1 | -33.7 | 0 | 0 | 0 | 110.2 | | |
| 394 | P | 56 | Low | 53.5 | Low | 126 Ų | 126 | 130.9 Ų | 130.9 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 145.4 | 172.5 | -26.8 | 35.8 | 0 | 0 | 0 | 111.9 | E396 | P394-E396 PolarHBondContact O-N 3.18Š|
| 395 | K | 44.8 | Very low | 52.1 | Low | 207 Ų | 207 | 131.8 Ų | 131.8 | 90% | 0.9 | 73% | 0.727 | S | S | * | * | | | trans | -91.7 | 98.7 | -174.3 | -168.4 | 175.8 | -176 | -178.7 | 0 | 110.1 | | |
| 396 | E | 38.9 | Very low | 50.6 | Low | 182 Ų | 182 | 139.2 Ų | 139.2 | 85% | 0.85 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 136.6 | 175.6 | -64.8 | -175.4 | 150.9 | 0 | 0 | 111.5 | P394 | P394-E396 PolarHBondContact O-N 3.18Š|
| 397 | P | 44.8 | Very low | 49.5 | Very low | 124 Ų | 124 | 138.8 Ų | 138.8 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 140.8 | 173.8 | 31.5 | -33.4 | 0 | 0 | 0 | 110.7 | S399 | P397-S399 PolarHBondContact O-N 3.41Š|
| 398 | S | 35.1 | Very low | 48 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 76% | 0.762 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 125.8 | -179.5 | 54.5 | 0 | 0 | 0 | 0 | 112.3 | V400 | S398-V400 PolarHBondContact O-N 2.76Š|
| 399 | S | 36 | Very low | 46.6 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 126.2 | 165.9 | 46.3 | 0 | 0 | 0 | 0 | 110.5 | P397 | P397-S399 PolarHBondContact O-N 3.41Š|
| 400 | V | 35.1 | Very low | 45.1 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 118.9 | -179 | 176.7 | 0 | 0 | 0 | 0 | 109.5 | S398 V402 | S398-V400 PolarHBondContact O-N 2.76Å; V400-V402 PolarHBondContact O-N 2.89Å |
| 401 | L | 37.5 | Very low | 43.4 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | | | trans | -82.4 | 110.6 | 170.3 | -161.1 | 163.3 | 0 | 0 | 0 | 109 | | |
| 402 | V | 37.3 | Very low | 41.6 | Very low | 115 Ų | 115 | 151 Ų | 151 | 70% | 0.697 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 131.2 | -176.1 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | V400 | V400-V402 PolarHBondContact O-N 2.89Š|
| 403 | Q | 42.3 | Very low | 40.5 | Very low | 161 Ų | 161 | 147.5 Ų | 147.5 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 137.4 | 165.9 | -67.2 | -178.1 | -14 | 0 | 0 | 111 | | |
| 404 | P | 42.7 | Very low | 39 | Very low | 128 Ų | 128 | 147.2 Ų | 147.2 | 83% | 0.831 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 139.2 | 145.8 | 33.1 | -27.7 | 0 | 0 | 0 | 110.2 | | |
| 405 | L | 38.3 | Very low | 38.5 | Very low | 142 Ų | 142 | 147 Ų | 147 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | -136.1 | 150.5 | 174.9 | 176.7 | 64.7 | 0 | 0 | 0 | 108.8 | | |
| 406 | R | 40.3 | Very low | 38.1 | Very low | 222 Ų | 222 | 143.1 Ų | 143.1 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | | | trans | 87.5 | 147.5 | -169.1 | -50.8 | 156.2 | -166.2 | -165.9 | 3.8 | 111.1 | | |
| 407 | E | 42.4 | Very low | 37.9 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | | | cis | -120.1 | -159.5 | 8.8 | -78.8 | -164.7 | 135.5 | 0 | 0 | 113.4 | | |
| 408 | L | 36.6 | Very low | 37.3 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 62% | 0.623 | 79% | 0.786 | S | S | * | * | | | | -162.9 | 111.3 | -81.8 | -177.2 | 129.4 | 0 | 0 | 0 | 111.3 | | |
| 409 | R | 39.4 | Very low | 37.2 | Very low | 230 Ų | 230 | 147.4 Ų | 147.4 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | | | trans | 68.7 | 148.7 | -179.1 | -51.1 | -178.1 | -166.5 | 179.9 | 7 | 113.4 | | |
| 410 | S | 34.8 | Very low | 37.1 | Very low | 106 Ų | 106 | 147.7 Ų | 147.7 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | | | cis | -158.3 | 165.5 | 49.8 | 51.5 | 0 | 0 | 0 | 0 | 114.7 | | |
| 411 | N | 35.5 | Very low | 36.8 | Very low | 165 Ų | 165 | 148.8 Ų | 148.8 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | | | trans | -107.8 | 127.5 | 168.1 | -67.3 | -56.6 | 0 | 0 | 0 | 109.4 | | |
| 412 | V | 33.9 | Very low | 36.4 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -145 | 156.9 | 162.9 | -173.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 413 | V | 32.5 | Very low | 36 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | trans | -132.1 | 142.8 | -168.5 | 159.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 414 | S | 33.6 | Very low | 36.2 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | 68.4 | 172.6 | 163.9 | 80.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 415 | P | 46 | Very low | 35.7 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | | | cis | -133.3 | -179.1 | 5 | 42.8 | -25.2 | 0 | 0 | 0 | 117.1 | | |
| 416 | T | 37.8 | Very low | 35.3 | Very low | 126 Ų | 126 | 144 Ų | 144 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | -79.4 | 154.6 | 171.7 | 49.2 | 0 | 0 | 0 | 0 | 114 | | |
| 417 | K | 33.9 | Very low | 35 | Very low | 205 Ų | 205 | 138.7 Ų | 138.7 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | | | trans | -164.8 | 175.1 | 148.8 | -108.7 | 161.3 | -170.3 | -174 | 0 | 112.2 | | |
| 418 | N | 31.4 | Very low | 34.6 | Very low | 129 Ų | 129 | 136.5 Ų | 136.5 | 69% | 0.69 | 78% | 0.782 | S | S | * | * | | | trans | -110.9 | -180 | -158.9 | -48.3 | -13.8 | 0 | 0 | 0 | 114.6 | | |
| 419 | E | 32.7 | Very low | 34.3 | Very low | 171 Ų | 171 | 139.4 Ų | 139.4 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | | | trans | 71.8 | 147 | 147.3 | -78.4 | 156.5 | 91.3 | 0 | 0 | 117.1 | | |
| 420 | D | 34.3 | Very low | 34.2 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 68% | 0.684 | 79% | 0.791 | S | S | * | * | | | cis | -165.8 | 174.9 | -8.1 | 178.3 | -141.7 | 0 | 0 | 0 | 110.1 | | |
| 421 | N | 29.9 | Very low | 34.7 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | 88.4 | 125.9 | 165 | -63.4 | -85.3 | 0 | 0 | 0 | 119.6 | | |
| 422 | G | 29.4 | Very low | 34.4 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | | | trans | 152.9 | 77.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 423 | A | 28.2 | Very low | 34.2 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | | | trans | -136.1 | 173.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 424 | P | 47 | Very low | 34.3 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | | | cis | -113.2 | -149.6 | 5.1 | 23.6 | 2.7 | 0 | 0 | 0 | 110.5 | | |
| 425 | E | 31 | Very low | 34.8 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | cis | -151.1 | 142 | 12.3 | -65.7 | 176.2 | 170.9 | 0 | 0 | 112.3 | | |
| 426 | N | 31.3 | Very low | 33.9 | Very low | 153 Ų | 153 | 144 Ų | 144 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | | 171.1 | 143.7 | 112.4 | -98.7 | -82.8 | 0 | 0 | 0 | 111.3 | | |
| 427 | S | 32.5 | Very low | 33.7 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -151.8 | 139.6 | -170.5 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 428 | V | 34.6 | Very low | 33.7 | Very low | 136 Ų | 136 | 144.3 Ų | 144.3 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | -178.4 | 143.8 | 159.8 | 135.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 429 | E | 29.7 | Very low | 33.6 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | cis | -153.7 | -168.3 | -31.8 | -148.1 | 176.4 | 138.5 | 0 | 0 | 108.8 | | |
| 430 | K | 37.6 | Very low | 33.6 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | -118.4 | -171.1 | -171.6 | -102 | 178.5 | -177.4 | 175.7 | 0 | 110.1 | | |
| 431 | P | 45.2 | Very low | 33.6 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | cis | -135.8 | -169.3 | -30.9 | 33 | -12.2 | 0 | 0 | 0 | 113.7 | | |
| 432 | H | 30 | Very low | 33.7 | Very low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | 69.4 | 164.6 | 150.3 | -108 | 14.4 | 0 | 0 | 0 | 118.8 | | |
| 433 | E | 30.1 | Very low | 33.9 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | cis | -146.9 | -179 | -4.9 | -154.4 | 166.1 | 164.4 | 0 | 0 | 111.2 | | |
| 434 | K | 34.3 | Very low | 34.3 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | -78.5 | 159 | 170.7 | -90.3 | -171.6 | 170 | -168.7 | 0 | 112.5 | | |
| 435 | P | 43.1 | Very low | 33.7 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | | | | -141.7 | -173.4 | 105.8 | 37.8 | -23.7 | 0 | 0 | 0 | 114.4 | | |
| 436 | E | 28.7 | Very low | 33.9 | Very low | 167 Ų | 167 | 146.7 Ų | 146.7 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | | | trans | -118.3 | 157.1 | -173.2 | -69.8 | -176.1 | 94.6 | 0 | 0 | 115.5 | | |
| 437 | A | 32.8 | Very low | 34.2 | Very low | 87 Ų | 87 | 151 Ų | 151 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | | | trans | 83.9 | 144.7 | 142.9 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 438 | R | 33.5 | Very low | 34.2 | Very low | 250 Ų | 250 | 148 Ų | 148 | 94% | 0.943 | 77% | 0.772 | S | S | * | * | | | trans | 76.8 | 142.6 | 170.5 | -51.9 | -179.9 | -178.6 | 133.5 | 1.7 | 115.1 | | |
| 439 | A | 30.7 | Very low | 34.1 | Very low | 96 Ų | 96 | 148.7 Ų | 148.7 | 79% | 0.793 | 77% | 0.772 | S | S | * | * | | | cis | -133.9 | 159.8 | 6.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 440 | S | 31.7 | Very low | 34.3 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | -46.7 | 141 | 178.1 | 49.8 | 0 | 0 | 0 | 0 | 117.9 | | |
| 441 | K | 33.5 | Very low | 34.7 | Very low | 186 Ų | 186 | 145.4 Ų | 145.4 | 81% | 0.809 | 77% | 0.766 | S | S | * | * | | | | -151.2 | 117.9 | 115.8 | -154.9 | 156.2 | -170.5 | 168.9 | 0 | 113.7 | | |
| 442 | D | 33.7 | Very low | 35 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | | | trans | 13.9 | 136.1 | 139.1 | -44.9 | -42.1 | 0 | 0 | 0 | 119.3 | | |
| 443 | Y | 33.1 | Very low | 35.4 | Very low | 200 Ų | 200 | 149.5 Ų | 149.5 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | | | cis | -153.5 | 136.4 | -2.9 | -129.5 | -117.4 | 0 | 0 | 0 | 104.9 | | |
| 444 | S | 36.1 | Very low | 35.3 | Very low | 103 Ų | 103 | 145.7 Ų | 145.7 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | | | | 53.1 | 133 | 77.8 | 167.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 445 | G | 33.9 | Very low | 35.3 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | | | cis | -138.3 | 156.3 | 27.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 446 | F | 36.3 | Very low | 35 | Very low | 194 Ų | 194 | 140.1 Ų | 140.1 | 85% | 0.851 | 77% | 0.774 | S | S | * | * | | | trans | -108.9 | 153.2 | -177.7 | -152.8 | -92.1 | 0 | 0 | 0 | 109.8 | | |
| 447 | R | 36.8 | Very low | 35.8 | Very low | 243 Ų | 243 | 136 Ų | 136 | 92% | 0.917 | 78% | 0.776 | S | S | * | * | | | trans | -171.1 | 128.2 | 144.9 | -87.1 | -136.7 | -94.8 | -87.2 | 6.1 | 107.8 | | |
| 448 | G | 31.8 | Very low | 36.2 | Very low | 47 Ų | 47 | 140.7 Ų | 140.7 | 49% | 0.485 | 78% | 0.78 | S | S | . | * | | | cis | 80.8 | 129.1 | 11.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 449 | N | 33.6 | Very low | 36.8 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | | | cis | -158.8 | 161.8 | 3.2 | -161.8 | 2.5 | 0 | 0 | 0 | 106.2 | | |
| 450 | I | 34.7 | Very low | 37.1 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | | | | 172.2 | 155 | 85.7 | -74.8 | -174.1 | 0 | 0 | 0 | 107.5 | | |
| 451 | I | 44.2 | Very low | 37.9 | Very low | 158 Ų | 158 | 147 Ų | 147 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -128.6 | 138.6 | 178.1 | -72.6 | 166.2 | 0 | 0 | 0 | 108.3 | | |
| 452 | P | 51.8 | Low | 38.2 | Very low | 109 Ų | 109 | 145.1 Ų | 145.1 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | | | | -158.8 | 149.1 | 105.3 | 39.3 | -18.5 | 0 | 0 | 0 | 120.6 | | |
| 453 | R | 38.1 | Very low | 38.7 | Very low | 250 Ų | 250 | 148.6 Ų | 148.6 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | | | trans | 53 | 129.6 | 140.3 | -70.7 | -174.9 | 171 | -166.5 | -1.7 | 122.7 | | |
| 454 | G | 29.1 | Very low | 39.1 | Very low | 80 Ų | 80 | 147.1 Ų | 147.1 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | 119.8 | 143 | 148.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 455 | A | 33.6 | Very low | 39.4 | Very low | 98 Ų | 98 | 149.1 Ų | 149.1 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | cis | -160.2 | 163.3 | -11.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 456 | A | 37.5 | Very low | 39.6 | Very low | 83 Ų | 83 | 153.8 Ų | 153.8 | 69% | 0.686 | 78% | 0.775 | S | S | * | * | | | trans | 42 | 99 | 154.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | K458 | A456-K458 PolarHBondContact O-N 3.05Š|
| 457 | G | 45.1 | Very low | 39.7 | Very low | 79 Ų | 79 | 149.7 Ų | 149.7 | 81% | 0.814 | 77% | 0.771 | S | S | * | * | | | trans | -66.1 | 125.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 458 | K | 42.3 | Very low | 39.8 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 81% | 0.809 | 77% | 0.769 | S | S | * | * | | | trans | -145.4 | 60 | 175.6 | -64.9 | -67.8 | -178.1 | 179 | 0 | 111.3 | A456 R460 | A456-K458 PolarHBondContact O-N 3.05Å; K458-R460 PolarHBondContact O-N 3.14Å |
| 459 | I | 46.2 | Very low | 40.1 | Very low | 178 Ų | 178 | 156.5 Ų | 156.5 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | | | trans | -68.3 | 103.4 | 169.2 | -60.8 | -178.8 | 0 | 0 | 0 | 107.5 | E461 | I459-E461 PolarHBondContact O-N 3.2Š|
| 460 | R | 37.1 | Very low | 40.3 | Very low | 235 Ų | 235 | 153.9 Ų | 153.9 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | | | trans | -64.8 | 123.6 | -171.9 | -177.2 | 175.4 | 179.4 | 133.3 | -4.6 | 110.7 | K458 Q462 | K458-R460 PolarHBondContact O-N 3.14Å; R460-Q462 PolarHBondContact O-N 2.95Å |
| 461 | E | 47.3 | Very low | 40.6 | Very low | 175 Ų | 175 | 154 Ų | 154 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -55.6 | 100.9 | 174 | -174.4 | -175.3 | 171.1 | 0 | 0 | 110.7 | I459 R463 | I459-E461 PolarHBondContact O-N 3.2Å; E461-R463 VanDerWaalsContact C-N 3.26Å; E461-R463 PolarHBondContact O-N 3.3Å |
| 462 | Q | 39.4 | Very low | 40.4 | Very low | 146 Ų | 146 | 152.4 Ų | 152.4 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | | | trans | -79.1 | 80.8 | 175.1 | -167.2 | -178.3 | 48.1 | 0 | 0 | 109.5 | R460 R464 | R460-Q462 PolarHBondContact O-N 2.95Å; Q462-R464 VanDerWaalsContact C-N 3.35Å; Q462-R464 PolarHBondContact O-N 3.4Å; Q462-R464 VanDerWaalsContact OE1-NH2 3.1Å |
| 463 | R | 44.5 | Very low | 39.9 | Very low | 188 Ų | 188 | 156 Ų | 156 | 71% | 0.709 | 80% | 0.797 | S | S | * | * | | | trans | -41.9 | 89.1 | 167.2 | -178.7 | -172.5 | -178 | -128 | 7.6 | 111.8 | E461 Q465 | E461-R463 VanDerWaalsContact C-N 3.26Å; E461-R463 PolarHBondContact O-N 3.3Å; R463-Q465 PolarHBondContact O-N 3.03Å |
| 464 | R | 42.1 | Very low | 39.7 | Very low | 168 Ų | 168 | 147.4 Ų | 147.4 | 63% | 0.634 | 79% | 0.786 | S | S | * | * | | | trans | -84.6 | 99.4 | 169 | -74 | -173.9 | -176.9 | -99.3 | -9.4 | 108.7 | Q462 F466 | Q462-R464 VanDerWaalsContact C-N 3.35Å; Q462-R464 PolarHBondContact O-N 3.4Å; Q462-R464 VanDerWaalsContact OE1-NH2 3.1Å; R464-F466 HydrophobicContact CB-CD2 3.95Å; R464-F466 HydrophobicContact CB-CE2 3.73Å; R464-F466 HydrophobicContact CB-CZ 4.46Å; R464-F466 HydrophobicContact CG-CE2 4.45Å; R464-F466 PolarHBondContact O-N 3.36Å |
| 465 | Q | 42.5 | Very low | 40 | Very low | 145 Ų | 145 | 150.5 Ų | 150.5 | 68% | 0.678 | 79% | 0.788 | S | S | * | * | | | trans | -65.5 | 102.1 | 157.9 | -69.3 | -172 | -63.7 | 0 | 0 | 107.6 | R463 S467 | R463-Q465 PolarHBondContact O-N 3.03Å; Q465-S467 PolarHBondContact O-N 2.78Å |
| 466 | F | 37.8 | Very low | 40.3 | Very low | 172 Ų | 172 | 151.9 Ų | 151.9 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | trans | -80 | 102.2 | 168.5 | -84.3 | -77.5 | 0 | 0 | 0 | 108.5 | R464 | R464-F466 HydrophobicContact CB-CD2 3.95Å; R464-F466 HydrophobicContact CB-CE2 3.73Å; R464-F466 HydrophobicContact CB-CZ 4.46Å; R464-F466 HydrophobicContact CG-CE2 4.45Å; R464-F466 PolarHBondContact O-N 3.36Å |
| 467 | S | 39.2 | Very low | 40.5 | Very low | 108 Ų | 108 | 159 Ų | 159 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | -53.5 | 140.4 | 171.6 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | Q465 R469 | Q465-S467 PolarHBondContact O-N 2.78Å; S467-R469 PolarHBondContact O-N 2.93Å |
| 468 | H | 38.9 | Very low | 40.5 | Very low | 190 Ų | 190 | 166.6 Ų | 166.6 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | | | trans | -35.8 | 124.1 | -174 | -53 | -89 | 0 | 0 | 0 | 114.9 | | |
| 469 | R | 37.3 | Very low | 40.5 | Very low | 243 Ų | 243 | 165.4 Ų | 165.4 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78 | 130.6 | 161.8 | -139 | -178.7 | -163.8 | -159.1 | 3.9 | 108.3 | S467 I471 | S467-R469 PolarHBondContact O-N 2.93Å; R469-I471 PolarHBondContact O-N 2.93Å |
| 470 | A | 38 | Very low | 40.1 | Very low | 97 Ų | 97 | 159.7 Ų | 159.7 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 133.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 471 | I | 41.3 | Very low | 40.8 | Very low | 145 Ų | 145 | 158.9 Ų | 158.9 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 129.6 | 171 | -60.9 | 167.3 | 0 | 0 | 0 | 107.6 | R469 Q473 | R469-I471 PolarHBondContact O-N 2.93Å; I471-Q473 PolarHBondContact O-N 3.37Å |
| 472 | P | 39.6 | Very low | 40.9 | Very low | 125 Ų | 125 | 159.3 Ų | 159.3 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | | | trans | -67.4 | 102.2 | 164 | 28.6 | -31.4 | 0 | 0 | 0 | 108.1 | | |
| 473 | Q | 40.9 | Very low | 41.5 | Very low | 186 Ų | 186 | 160.8 Ų | 160.8 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 144 | -179.6 | -71.2 | -172.8 | -14.3 | 0 | 0 | 110.9 | I471 | I471-Q473 PolarHBondContact O-N 3.37Š|
| 474 | G | 34.9 | Very low | 41.2 | Very low | 69 Ų | 69 | 163.2 Ų | 163.2 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 149.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T476 | G474-T476 PolarHBondContact O-N 3.43Š|
| 475 | V | 35.3 | Very low | 41.9 | Very low | 144 Ų | 144 | 160.7 Ų | 160.7 | 87% | 0.873 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 130.2 | 166.7 | 178.8 | 0 | 0 | 0 | 0 | 109.1 | R477 | V475-R477 PolarHBondContact O-N 3.27Š|
| 476 | T | 39.3 | Very low | 42.7 | Very low | 127 Ų | 127 | 158.9 Ų | 158.9 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 120.2 | -175 | 39.5 | 0 | 0 | 0 | 0 | 112.1 | G474 R478 | G474-T476 PolarHBondContact O-N 3.43Å; T476-R478 PolarHBondContact O-N 2.97Å |
| 477 | R | 41.9 | Very low | 43.7 | Very low | 232 Ų | 232 | 156.8 Ų | 156.8 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | | | trans | -73 | 97.9 | 165.2 | -74.6 | -168 | 177.4 | -132.9 | 0.3 | 109.2 | V475 N479 | V475-R477 PolarHBondContact O-N 3.27Å; R477-N479 PolarHBondContact O-N 3.43Å |
| 478 | R | 45.5 | Very low | 44.3 | Very low | 240 Ų | 240 | 163.2 Ų | 163.2 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | | | trans | -59.5 | 116.9 | 166.1 | 53.6 | -177.8 | 177.1 | 174.5 | 0.6 | 109.6 | T476 G480 | T476-R478 PolarHBondContact O-N 2.97Å; R478-G480 PolarHBondContact O-N 3.36Å; R478-G480 VanDerWaalsContact O-N 3.16Å |
| 479 | N | 41.8 | Very low | 44.7 | Very low | 161 Ų | 161 | 159.4 Ų | 159.4 | 86% | 0.861 | 82% | 0.82 | S | S | * | * | | | trans | -84.9 | 83.3 | -178.8 | -69.5 | -33 | 0 | 0 | 0 | 110.3 | R477 | R477-N479 PolarHBondContact O-N 3.43Š|
| 480 | G | 38 | Very low | 45.9 | Very low | 57 Ų | 57 | 154 Ų | 154 | 59% | 0.588 | 82% | 0.817 | S | S | * | * | | | trans | -96.3 | 120.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R478 E482 | R478-G480 PolarHBondContact O-N 3.36Å; R478-G480 VanDerWaalsContact O-N 3.16Å; G480-E482 VanDerWaalsContact C-N 3.33Å; G480-E482 PolarHBondContact O-N 3.38Å |
| 481 | K | 52.1 | Low | 46.3 | Very low | 218 Ų | 218 | 162.7 Ų | 162.7 | 95% | 0.948 | 84% | 0.836 | S | S | * | * | | | trans | -84.1 | 77.5 | 166.9 | -72.7 | -175.2 | 179.4 | 179.7 | 0 | 109.1 | | |
| 482 | E | 48.9 | Very low | 46.5 | Very low | 184 Ų | 184 | 163.6 Ų | 163.6 | 86% | 0.86 | 84% | 0.841 | S | S | * | * | | | trans | -84 | 125.7 | 176.8 | -74.2 | 175 | -148.7 | 0 | 0 | 110.7 | G480 | G480-E482 VanDerWaalsContact C-N 3.33Å; G480-E482 PolarHBondContact O-N 3.38Å |
| 483 | Q | 51.1 | Low | 46.9 | Very low | 178 Ų | 178 | 165.6 Ų | 165.6 | 83% | 0.832 | 84% | 0.842 | S | S | * | * | | | trans | -86.9 | 122.6 | -167.8 | -173.2 | 171.1 | -6.4 | 0 | 0 | 109.9 | V485 | Q483-V485 PolarHBondContact O-N 2.75Š|
| 484 | Y | 38.8 | Very low | 47.2 | Very low | 238 Ų | 238 | 164.4 Ų | 164.4 | 93% | 0.933 | 84% | 0.841 | S | S | * | * | | | trans | -67.8 | 107.2 | -175.2 | -124.9 | -100.7 | 0 | 0 | 0 | 111 | | |
| 485 | V | 56.1 | Low | 48 | Very low | 115 Ų | 115 | 170.1 Ų | 170.1 | 70% | 0.697 | 85% | 0.848 | S | S | * | * | | | trans | -121.3 | 122 | 169.8 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | Q483 | Q483-V485 PolarHBondContact O-N 2.75Š|
| 486 | P | 59.3 | Low | 48.8 | Very low | 107 Ų | 107 | 171.7 Ų | 171.7 | 70% | 0.695 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 143.8 | 179.8 | 29.8 | -34.2 | 0 | 0 | 0 | 110.9 | | |
| 487 | P | 60 | Low | 49.4 | Very low | 128 Ų | 128 | 174.7 Ų | 174.7 | 83% | 0.831 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 135.2 | 175.9 | 28.2 | -34 | 0 | 0 | 0 | 110.5 | | |
| 488 | R | 52.1 | Low | 49.9 | Very low | 244 Ų | 244 | 170.6 Ų | 170.6 | 92% | 0.921 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 139.8 | 166.1 | -91.1 | -176 | 165.7 | -173.9 | -4 | 109.8 | | |
| 489 | S | 47.4 | Very low | 50.3 | Low | 109 Ų | 109 | 165.2 Ų | 165.2 | 76% | 0.762 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 151.1 | 169.1 | 32.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 490 | P | 61 | Low | 51 | Low | 131 Ų | 131 | 165.6 Ų | 165.6 | 85% | 0.851 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 156.8 | -179.1 | 30.5 | -36.2 | 0 | 0 | 0 | 112 | | |
| 491 | K | 47 | Very low | 52.1 | Low | 278 Ų | 278 | 175.5 Ų | 175.5 | 100% | 1.209 | 87% | 0.867 | S | S | * | * | | | trans | -149.8 | 0 | 172.3 | -151.4 | -178.5 | -172.4 | -174.3 | 0 | 109.3 | | |