| 1 | M | 79.6 | Confident | 84.7 | Confident | 79 Ų | 79 | 95.9 Ų | 95.9 | 39% | 0.389 | 53% | 0.532 | S | S | . | . | | | | 0 | 137.1 | 0 | -61 | 176.5 | 75.9 | 0 | 0 | 107.5 | W8 A10 F15 I25 | M1-W8 PolarHBondContact N-O 3.46Å; M1-W8 PolarHBondContact O-N 3.4Å; M1-A10 HydrophobicContact CG-CB 4.11Å; M1-A10 HydrophobicContact SD-CB 4.3Å; M1-F15 HydrophobicContact CB-CD2 4.12Å; M1-F15 HydrophobicContact CB-CE2 4.21Å; M1-F15 HydrophobicContact CE-CD1 3.3Å; M1-F15 HydrophobicContact CE-CD2 4.08Å; M1-F15 HydrophobicContact CE-CE1 3.33Å; M1-F15 HydrophobicContact CE-CE2 4.09Å; M1-F15 HydrophobicContact CE-CG 3.7Å; M1-F15 HydrophobicContact CE-CZ 3.75Å; M1-F15 HydrophobicContact SD-CB 3.82Å; M1-F15 HydrophobicContact SD-CD1 3.75Å; M1-F15 HydrophobicContact SD-CD2 3.95Å; M1-F15 HydrophobicContact SD-CE1 4.32Å; M1-F15 HydrophobicContact SD-CE2 4.48Å; M1-F15 HydrophobicContact SD-CG 3.55Å; M1-F15 VanDerWaalsContact SD-CG 3.55Å; M1-I25 HydrophobicContact CE-CG1 4.34Å; M1-I25 HydrophobicContact SD-CG1 3.99Å |
| 2 | T | 83.4 | Confident | 84.9 | Confident | 98 Ų | 98 | 98.9 Ų | 98.9 | 60% | 0.601 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 140.3 | -169.5 | 42.9 | 0 | 0 | 0 | 0 | 111.5 | L6 H7 | T2-L6 WeakPolarHBondContact CA-O 3.31Å; T2-H7 HydrophobicContact CG2-CB 4.43Å; T2-H7 WeakPolarHBondContact CG2-CD2 3.35Å |
| 3 | Y | 81.4 | Confident | 85 | Confident | 111 Ų | 111 | 102.5 Ų | 102.5 | 44% | 0.435 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -161.5 | 134.3 | 175.5 | -174.6 | -82.9 | 0 | 0 | 0 | 109.2 | G5 L6 F29 P31 | Y3-G5 VanDerWaalsContact C-N 3.29Å; Y3-G5 PolarHBondContact O-N 3.39Å; Y3-L6 PolarHBondContact N-O 3.25Å; Y3-L6 VanDerWaalsContact N-O 3.08Å; Y3-L6 WeakPolarHBondContact O-CB 3.46Å; Y3-L6 PolarHBondContact O-N 3.45Å; Y3-F29 HydrophobicContact CD1-CE2 4.32Å; Y3-F29 AromaticContact CD2-CE2 3.82Å; Y3-F29 HydrophobicContact CD2-CE2 3.82Å; Y3-F29 AromaticContact CD2-CZ 3.64Å; Y3-F29 HydrophobicContact CD2-CZ 3.64Å; Y3-F29 HydrophobicContact CE2-CE2 4.37Å; Y3-F29 HydrophobicContact CE2-CZ 4.37Å; Y3-F29 AromaticContact CG-CE2 3.79Å; Y3-F29 HydrophobicContact CG-CE2 3.79Å; Y3-F29 AromaticContact CG-CZ 3.91Å; Y3-F29 HydrophobicContact CG-CZ 3.91Å; Y3-P31 HydrophobicContact CD1-CB 4.24Å; Y3-P31 HydrophobicContact CD1-CG 3.76Å; Y3-P31 HydrophobicContact CE1-CB 3.88Å; Y3-P31 HydrophobicContact CE1-CG 3.14Å; Y3-P31 HydrophobicContact CE2-CG 4.4Å |
| 4 | D | 82.6 | Confident | 85.2 | Confident | 143 Ų | 143 | 98.9 Ų | 98.9 | 77% | 0.765 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 46.6 | 176.9 | -161.4 | 27 | 0 | 0 | 0 | 113.8 | L6 | D4-L6 PolarHBondContact O-N 3.25Š|
| 5 | G | 83.6 | Confident | 85.7 | Confident | 67 Ų | 67 | 92.5 Ų | 92.5 | 69% | 0.691 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.1 | -16.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y3 H7 | Y3-G5 VanDerWaalsContact C-N 3.29Å; Y3-G5 PolarHBondContact O-N 3.39Å; G5-H7 PolarHBondContact O-CE1 3.03Å; G5-H7 PolarHBondContact O-ND1 3.47Å |
| 6 | L | 84.9 | Confident | 86.2 | Confident | 79 Ų | 79 | 88.6 Ų | 88.6 | 41% | 0.414 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 144.4 | 176.8 | -65 | 173.9 | 0 | 0 | 0 | 111.5 | T2 Y3 D4 W8 | T2-L6 WeakPolarHBondContact CA-O 3.31Å; Y3-L6 PolarHBondContact N-O 3.25Å; Y3-L6 VanDerWaalsContact N-O 3.08Å; Y3-L6 WeakPolarHBondContact O-CB 3.46Å; Y3-L6 PolarHBondContact O-N 3.45Å; D4-L6 PolarHBondContact O-N 3.25Å; L6-W8 HydrophobicContact CB-CE3 4.35Å; L6-W8 HydrophobicContact CB-CH2 3.35Å; L6-W8 HydrophobicContact CB-CZ2 3.84Å; L6-W8 HydrophobicContact CB-CZ3 3.62Å; L6-W8 HydrophobicContact CD1-CH2 3.9Å; L6-W8 HydrophobicContact CD1-CZ2 3.97Å; L6-W8 HydrophobicContact CG-CH2 4.28Å; L6-W8 WeakPolarHBondContact O-CZ3 3.37Å |
| 7 | H | 87.2 | Confident | 86.6 | Confident | 151 Ų | 151 | 83.4 Ų | 83.4 | 70% | 0.699 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 129.3 | -175.2 | -69.8 | 63.8 | 0 | 0 | 0 | 109.7 | T2 G5 | T2-H7 HydrophobicContact CG2-CB 4.43Å; T2-H7 WeakPolarHBondContact CG2-CD2 3.35Å; G5-H7 PolarHBondContact O-CE1 3.03Å; G5-H7 PolarHBondContact O-ND1 3.47Å |
| 8 | W | 88.3 | Confident | 86.9 | Confident | 49 Ų | 49 | 80.2 Ų | 80.2 | 19% | 0.186 | 45% | 0.449 | C | S | . | . | | | trans | -125.8 | 143.3 | 175.4 | -61.3 | -95.1 | 0 | 0 | 0 | 110.6 | M1 L6 C14 F15 I36 | M1-W8 PolarHBondContact N-O 3.46Å; M1-W8 PolarHBondContact O-N 3.4Å; L6-W8 HydrophobicContact CB-CE3 4.35Å; L6-W8 HydrophobicContact CB-CH2 3.35Å; L6-W8 HydrophobicContact CB-CZ2 3.84Å; L6-W8 HydrophobicContact CB-CZ3 3.62Å; L6-W8 HydrophobicContact CD1-CH2 3.9Å; L6-W8 HydrophobicContact CD1-CZ2 3.97Å; L6-W8 HydrophobicContact CG-CH2 4.28Å; L6-W8 WeakPolarHBondContact O-CZ3 3.37Å; W8-C14 VanDerWaalsContact CD1-O 3.28Å; W8-F15 HydrophobicContact CB-CD2 3.75Å; W8-F15 AromaticContact CD2-CD2 4Å; W8-F15 HydrophobicContact CD2-CD2 4Å; W8-F15 HydrophobicContact CD2-CE2 4.06Å; W8-F15 HydrophobicContact CE3-CD2 4.28Å; W8-F15 AromaticContact CE3-CE2 3.96Å; W8-F15 HydrophobicContact CE3-CE2 3.96Å; W8-F15 AromaticContact CG-CD2 3.8Å; W8-F15 HydrophobicContact CG-CD2 3.8Å; W8-F15 HydrophobicContact CG-CE2 4.35Å; W8-F15 HydrophobicContact CZ3-CE2 4.49Å; W8-I36 HydrophobicContact CH2-CG2 3.91Å; W8-I36 HydrophobicContact CZ2-CG2 3.68Å |
| 9 | H | 88.1 | Confident | 87.1 | Confident | 134 Ų | 134 | 80.7 Ų | 80.7 | 62% | 0.62 | 45% | 0.447 | S | S | * | . | | | trans | -60.5 | 145.4 | 167 | -50 | 128.9 | 0 | 0 | 0 | 110.2 | T11 C14 | H9-T11 HydrophobicContact CB-CG2 4.43Å; H9-T11 PolarHBondContact O-N 3.19Å; H9-C14 HydrophobicContact CB-CB 3.96Å; H9-C14 PolarHBondContact ND1-SG 3.06Å |
| 10 | A | 86.6 | Confident | 87.3 | Confident | 77 Ų | 77 | 78.9 Ų | 78.9 | 64% | 0.636 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -78.9 | 49.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M1 | M1-A10 HydrophobicContact CG-CB 4.11Å; M1-A10 HydrophobicContact SD-CB 4.3Å |
| 11 | T | 86.5 | Confident | 87.5 | Confident | 67 Ų | 67 | 83.1 Ų | 83.1 | 41% | 0.411 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -122.4 | 143.3 | 179.7 | 61.1 | 0 | 0 | 0 | 0 | 109.5 | H9 N13 C14 F15 | H9-T11 HydrophobicContact CB-CG2 4.43Å; H9-T11 PolarHBondContact O-N 3.19Å; T11-N13 PolarHBondContact O-N 3.12Å; T11-N13 VanDerWaalsContact O-N 3.15Å; T11-C14 PolarHBondContact O-N 3.01Å; T11-C14 WeakPolarHBondContact OG1-CB 3.47Å; T11-C14 PolarHBondContact OG1-SG 3.33Å; T11-C14 VanDerWaalsContact OG1-SG 3.41Å; T11-F15 PolarHBondContact O-N 3.39Å |
| 12 | E | 86.4 | Confident | 88 | Confident | 132 Ų | 132 | 82.3 Ų | 82.3 | 62% | 0.617 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -35 | -174 | -59.8 | -169.9 | 158.3 | 0 | 0 | 112.5 | S16 I25 | E12-S16 WeakPolarHBondContact O-CB 3.19Å; E12-I25 HydrophobicContact CG-CD1 4.2Å |
| 13 | N | 86 | Confident | 88.5 | Confident | 145 Ų | 145 | 79.5 Ų | 79.5 | 78% | 0.775 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -43.9 | 176.3 | -64.4 | -15 | 0 | 0 | 0 | 112.4 | T11 S16 | T11-N13 PolarHBondContact O-N 3.12Å; T11-N13 VanDerWaalsContact O-N 3.15Å; N13-S16 PolarHBondContact O-OG 2.91Å |
| 14 | C | 88.6 | Confident | 89 | Confident | 52 Ų | 52 | 74.3 Ų | 74.3 | 35% | 0.351 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -34.2 | -175.5 | -68.8 | 0 | 0 | 0 | 0 | 113 | W8 H9 T11 | W8-C14 VanDerWaalsContact CD1-O 3.28Å; H9-C14 HydrophobicContact CB-CB 3.96Å; H9-C14 PolarHBondContact ND1-SG 3.06Å; T11-C14 PolarHBondContact O-N 3.01Å; T11-C14 WeakPolarHBondContact OG1-CB 3.47Å; T11-C14 PolarHBondContact OG1-SG 3.33Å; T11-C14 VanDerWaalsContact OG1-SG 3.41Å |
| 15 | F | 92.3 | Very high | 89.4 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.018 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -103.1 | 58.2 | 177.2 | -157.3 | -101.5 | 0 | 0 | 0 | 111 | M1 W8 T11 L24 I25 F29 I36 | M1-F15 HydrophobicContact CB-CD2 4.12Å; M1-F15 HydrophobicContact CB-CE2 4.21Å; M1-F15 HydrophobicContact CE-CD1 3.3Å; M1-F15 HydrophobicContact CE-CD2 4.08Å; M1-F15 HydrophobicContact CE-CE1 3.33Å; M1-F15 HydrophobicContact CE-CE2 4.09Å; M1-F15 HydrophobicContact CE-CG 3.7Å; M1-F15 HydrophobicContact CE-CZ 3.75Å; M1-F15 HydrophobicContact SD-CB 3.82Å; M1-F15 HydrophobicContact SD-CD1 3.75Å; M1-F15 HydrophobicContact SD-CD2 3.95Å; M1-F15 HydrophobicContact SD-CE1 4.32Å; M1-F15 HydrophobicContact SD-CE2 4.48Å; M1-F15 HydrophobicContact SD-CG 3.55Å; M1-F15 VanDerWaalsContact SD-CG 3.55Å; W8-F15 HydrophobicContact CB-CD2 3.75Å; W8-F15 AromaticContact CD2-CD2 4Å; W8-F15 HydrophobicContact CD2-CD2 4Å; W8-F15 HydrophobicContact CD2-CE2 4.06Å; W8-F15 HydrophobicContact CE3-CD2 4.28Å; W8-F15 AromaticContact CE3-CE2 3.96Å; W8-F15 HydrophobicContact CE3-CE2 3.96Å; W8-F15 AromaticContact CG-CD2 3.8Å; W8-F15 HydrophobicContact CG-CD2 3.8Å; W8-F15 HydrophobicContact CG-CE2 4.35Å; W8-F15 HydrophobicContact CZ3-CE2 4.49Å; T11-F15 PolarHBondContact O-N 3.39Å; F15-L24 HydrophobicContact CD1-CB 3.54Å; F15-L24 HydrophobicContact CE1-CB 3.5Å; F15-L24 WeakPolarHBondContact CE1-O 2.97Å; F15-L24 WeakPolarHBondContact O-CB 3.5Å; F15-L24 PolarHBondContact O-N 3.49Å; F15-I25 HydrophobicContact CB-CG1 4.14Å; F15-I25 HydrophobicContact CD1-CG1 4.17Å; F15-F29 HydrophobicContact CE1-CD1 4.06Å; F15-F29 HydrophobicContact CE1-CE1 4.38Å; F15-F29 HydrophobicContact CE1-CG 4.48Å; F15-F29 AromaticContact CZ-CD1 3.74Å; F15-F29 HydrophobicContact CZ-CD1 3.74Å; F15-F29 HydrophobicContact CZ-CD2 4.35Å; F15-F29 AromaticContact CZ-CE1 3.74Å; F15-F29 HydrophobicContact CZ-CE1 3.74Å; F15-F29 HydrophobicContact CZ-CE2 4.34Å; F15-F29 HydrophobicContact CZ-CG 4.06Å; F15-F29 HydrophobicContact CZ-CZ 4.05Å; F15-I36 HydrophobicContact CD1-CD1 4.2Å; F15-I36 HydrophobicContact CD2-CD1 3.39Å; F15-I36 HydrophobicContact CE1-CD1 4.2Å; F15-I36 HydrophobicContact CE2-CD1 3.4Å; F15-I36 VanDerWaalsContact CE2-CD1 3.4Å; F15-I36 HydrophobicContact CG-CD1 3.82Å; F15-I36 HydrophobicContact CZ-CD1 3.82Å |
| 16 | S | 93.5 | Very high | 89.7 | Confident | 29 Ų | 29 | 71.6 Ų | 71.6 | 20% | 0.203 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -113.1 | 154 | -176.7 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | E12 N13 G18 K21 S22 I36 | E12-S16 WeakPolarHBondContact O-CB 3.19Å; N13-S16 PolarHBondContact O-OG 2.91Å; S16-G18 PolarHBondContact O-N 2.91Å; S16-K21 WeakPolarHBondContact CB-O 3.3Å; S16-S22 CarbonylContact C-O 3.58Å; S16-S22 WeakPolarHBondContact CA-O 3.49Å; S16-I36 WeakPolarHBondContact O-CG1 3.33Å |
| 17 | C | 93.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.007 | 41% | 0.41 | C | S | . | . | | | trans | -64.8 | 127.3 | 175.2 | 176.8 | 0 | 0 | 0 | 0 | 112 | Q19 C20 K21 S22 L24 I36 C38 | C17-Q19 PolarHBondContact O-N 3.02Å; C17-C20 VanDerWaalsContact CB-SG 3.56Å; C17-C20 PolarHBondContact SG-SG 3.29Å; C17-K21 VanDerWaalsContact O-CA 3.25Å; C17-K21 WeakPolarHBondContact O-CA 3.41Å; C17-K21 PolarHBondContact O-N 3.36Å; C17-S22 PolarHBondContact N-O 3.33Å; C17-L24 HydrophobicContact CB-CD1 4.25Å; C17-L24 HydrophobicContact CB-CD2 4.36Å; C17-L24 HydrophobicContact CB-CG 4.38Å; C17-I36 WeakPolarHBondContact CA-O 3.45Å; C17-C38 HydrophobicContact CB-CB 4.31Å; C17-C38 PolarHBondContact SG-N 3.44Å; C17-C38 VanDerWaalsContact SG-N 3.36Å; C17-C38 VanDerWaalsContact SG-SG 3.63Å |
| 18 | G | 91.4 | Very high | 89.9 | Confident | 25 Ų | 25 | 69.2 Ų | 69.2 | 26% | 0.258 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -6.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | S16 I36 | S16-G18 PolarHBondContact O-N 2.91Å; G18-I36 PolarHBondContact N-O 2.82Å |
| 19 | Q | 90.1 | Very high | 90.1 | Very high | 90 Ų | 90 | 70 Ų | 70 | 42% | 0.421 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | -70.8 | 166.8 | -54.8 | -61.9 | -0.2 | 0 | 0 | 111.5 | C17 K21 Y37 C42 | C17-Q19 PolarHBondContact O-N 3.02Å; Q19-K21 PolarHBondContact O-N 3.49Å; Q19-Y37 HydrophobicContact CG-CD1 4.18Å; Q19-Y37 HydrophobicContact CG-CE1 3.96Å; Q19-C42 HydrophobicContact CB-CB 4.22Å; Q19-C42 HydrophobicContact CG-CB 4.01Å; Q19-C42 WeakPolarHBondContact CG-O 3.5Å; Q19-C42 PolarHBondContact NE2-O 2.81Å |
| 20 | C | 91.6 | Very high | 90.3 | Very high | 44 Ų | 44 | 67.1 Ų | 67.1 | 30% | 0.297 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -1.3 | -169.1 | 67.3 | 0 | 0 | 0 | 0 | 114.4 | C17 S22 C38 | C17-C20 VanDerWaalsContact CB-SG 3.56Å; C17-C20 PolarHBondContact SG-SG 3.29Å; C20-S22 PolarHBondContact O-N 3.29Å; C20-S22 PolarHBondContact SG-OG 3.21Å; C20-C38 VanDerWaalsContact SG-SG 3.63Å |
| 21 | K | 91.3 | Very high | 90.5 | Very high | 169 Ų | 169 | 65.8 Ų | 65.8 | 74% | 0.735 | 39% | 0.39 | S | S | * | . | | | trans | 56.8 | 6.8 | 178.2 | -56.4 | -179.7 | -174.7 | 174.7 | 0 | 116.1 | S16 C17 Q19 S23 | S16-K21 WeakPolarHBondContact CB-O 3.3Å; C17-K21 VanDerWaalsContact O-CA 3.25Å; C17-K21 WeakPolarHBondContact O-CA 3.41Å; C17-K21 PolarHBondContact O-N 3.36Å; Q19-K21 PolarHBondContact O-N 3.49Å; K21-S23 PolarHBondContact O-N 3.08Å |
| 22 | S | 91.4 | Very high | 90.7 | Very high | 62 Ų | 62 | 66.1 Ų | 66.1 | 43% | 0.434 | 39% | 0.387 | S | S | . | . | | | trans | -58.7 | 136 | 172.8 | -46.9 | 0 | 0 | 0 | 0 | 110.5 | S16 C17 C20 L24 | S16-S22 CarbonylContact C-O 3.58Å; S16-S22 WeakPolarHBondContact CA-O 3.49Å; C17-S22 PolarHBondContact N-O 3.33Å; C20-S22 PolarHBondContact O-N 3.29Å; C20-S22 PolarHBondContact SG-OG 3.21Å; S22-L24 PolarHBondContact O-N 3.06Å |
| 23 | S | 93 | Very high | 90.6 | Very high | 38 Ų | 38 | 67.5 Ų | 67.5 | 27% | 0.266 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -54.4 | 136.4 | 169.5 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | K21 I25 | K21-S23 PolarHBondContact O-N 3.08Å; S23-I25 WeakPolarHBondContact OG-CG1 3.48Å; S23-I25 PolarHBondContact OG-N 3.2Å |
| 24 | L | 92.4 | Very high | 90.6 | Very high | 3 Ų | 3 | 63.6 Ų | 63.6 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | | | trans | -104.8 | 7.5 | 175.6 | -64.1 | 171.1 | 0 | 0 | 0 | 111.7 | F15 C17 S22 G26 C27 F29 I36 C38 | F15-L24 HydrophobicContact CD1-CB 3.54Å; F15-L24 HydrophobicContact CE1-CB 3.5Å; F15-L24 WeakPolarHBondContact CE1-O 2.97Å; F15-L24 WeakPolarHBondContact O-CB 3.5Å; F15-L24 PolarHBondContact O-N 3.49Å; C17-L24 HydrophobicContact CB-CD1 4.25Å; C17-L24 HydrophobicContact CB-CD2 4.36Å; C17-L24 HydrophobicContact CB-CG 4.38Å; S22-L24 PolarHBondContact O-N 3.06Å; L24-G26 PolarHBondContact O-N 3.47Å; L24-C27 PolarHBondContact O-N 3.06Å; L24-F29 HydrophobicContact CB-CB 4.47Å; L24-F29 HydrophobicContact CD1-CB 3.97Å; L24-F29 HydrophobicContact CD2-CB 4.45Å; L24-I36 HydrophobicContact CD1-CB 3.96Å; L24-I36 HydrophobicContact CD1-CD1 3.82Å; L24-I36 HydrophobicContact CD1-CG1 3.76Å; L24-C38 HydrophobicContact CD2-CB 3.64Å |
| 25 | I | 91.3 | Very high | 90.6 | Very high | 70 Ų | 70 | 68.3 Ų | 68.3 | 36% | 0.359 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 119 | -178.2 | -59.5 | -179.1 | 0 | 0 | 0 | 109.5 | M1 E12 F15 S23 C27 | M1-I25 HydrophobicContact CE-CG1 4.34Å; M1-I25 HydrophobicContact SD-CG1 3.99Å; E12-I25 HydrophobicContact CG-CD1 4.2Å; F15-I25 HydrophobicContact CB-CG1 4.14Å; F15-I25 HydrophobicContact CD1-CG1 4.17Å; S23-I25 WeakPolarHBondContact OG-CG1 3.48Å; S23-I25 PolarHBondContact OG-N 3.2Å; I25-C27 PolarHBondContact O-N 3.02Å |
| 26 | G | 88.3 | Confident | 90.7 | Very high | 83 Ų | 83 | 68.4 Ų | 68.4 | 86% | 0.856 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 0.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L24 | L24-G26 PolarHBondContact O-N 3.47Š|
| 27 | C | 88.1 | Confident | 90.7 | Very high | 65 Ų | 65 | 67.7 Ų | 67.7 | 44% | 0.439 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -99.3 | 151.3 | 176.1 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | L24 I25 | L24-C27 PolarHBondContact O-N 3.06Å; I25-C27 PolarHBondContact O-N 3.02Å |
| 28 | P | 89 | Confident | 90.7 | Very high | 115 Ų | 115 | 70.3 Ų | 70.3 | 75% | 0.747 | 41% | 0.409 | S | S | * | . | | | trans | -63.4 | 140.6 | 164.5 | 29.3 | -34.3 | 0 | 0 | 0 | 109.8 | | |
| 29 | F | 93.1 | Very high | 90.8 | Very high | 65 Ų | 65 | 71.2 Ų | 71.2 | 29% | 0.285 | 41% | 0.411 | S | S | . | . | | | trans | -132.7 | 151.8 | -179.5 | 63.1 | -85.6 | 0 | 0 | 0 | 111.3 | Y3 F15 L24 P31 I36 Y37 | Y3-F29 HydrophobicContact CD1-CE2 4.32Å; Y3-F29 AromaticContact CD2-CE2 3.82Å; Y3-F29 HydrophobicContact CD2-CE2 3.82Å; Y3-F29 AromaticContact CD2-CZ 3.64Å; Y3-F29 HydrophobicContact CD2-CZ 3.64Å; Y3-F29 HydrophobicContact CE2-CE2 4.37Å; Y3-F29 HydrophobicContact CE2-CZ 4.37Å; Y3-F29 AromaticContact CG-CE2 3.79Å; Y3-F29 HydrophobicContact CG-CE2 3.79Å; Y3-F29 AromaticContact CG-CZ 3.91Å; Y3-F29 HydrophobicContact CG-CZ 3.91Å; F15-F29 HydrophobicContact CE1-CD1 4.06Å; F15-F29 HydrophobicContact CE1-CE1 4.38Å; F15-F29 HydrophobicContact CE1-CG 4.48Å; F15-F29 AromaticContact CZ-CD1 3.74Å; F15-F29 HydrophobicContact CZ-CD1 3.74Å; F15-F29 HydrophobicContact CZ-CD2 4.35Å; F15-F29 AromaticContact CZ-CE1 3.74Å; F15-F29 HydrophobicContact CZ-CE1 3.74Å; F15-F29 HydrophobicContact CZ-CE2 4.34Å; F15-F29 HydrophobicContact CZ-CG 4.06Å; F15-F29 HydrophobicContact CZ-CZ 4.05Å; L24-F29 HydrophobicContact CB-CB 4.47Å; L24-F29 HydrophobicContact CD1-CB 3.97Å; L24-F29 HydrophobicContact CD2-CB 4.45Å; F29-P31 HydrophobicContact CE2-CG 4.38Å; F29-I36 HydrophobicContact CD2-CB 4.25Å; F29-I36 HydrophobicContact CD2-CG2 3.81Å; F29-I36 HydrophobicContact CE2-CG2 4.18Å; F29-Y37 CarbonylContact C-O 3.57Å; F29-Y37 WeakPolarHBondContact CA-O 3.46Å |
| 30 | L | 91.9 | Very high | 90.9 | Very high | 73 Ų | 73 | 74.2 Ų | 74.2 | 38% | 0.382 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.8 | 173.5 | -166.3 | 93.3 | 0 | 0 | 0 | 109.4 | I36 Y37 A43 | L30-I36 WeakPolarHBondContact O-CA 3.25Å; L30-Y37 PolarHBondContact N-O 3.28Å; L30-Y37 PolarHBondContact O-N 3.02Å; L30-A43 HydrophobicContact CD2-CB 3.55Å |
| 31 | P | 91.1 | Very high | 90.8 | Very high | 49 Ų | 49 | 73.9 Ų | 73.9 | 32% | 0.318 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 132.4 | 167.1 | 2.1 | 13.1 | 0 | 0 | 0 | 110 | Y3 F29 R35 | Y3-P31 HydrophobicContact CD1-CB 4.24Å; Y3-P31 HydrophobicContact CD1-CG 3.76Å; Y3-P31 HydrophobicContact CE1-CB 3.88Å; Y3-P31 HydrophobicContact CE1-CG 3.14Å; Y3-P31 HydrophobicContact CE2-CG 4.4Å; F29-P31 HydrophobicContact CE2-CG 4.38Å; P31-R35 CarbonylContact C-O 3.58Å; P31-R35 WeakPolarHBondContact CA-O 3.42Å |
| 32 | H | 89.9 | Confident | 90.8 | Very high | 74 Ų | 74 | 66 Ų | 66 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 131.9 | 172.9 | -164.8 | 59.4 | 0 | 0 | 0 | 110.3 | G34 R35 Y37 A43 | H32-G34 PolarHBondContact O-N 3.48Å; H32-G34 VanDerWaalsContact O-N 3.12Å; H32-R35 PolarHBondContact N-O 3.22Å; H32-R35 PolarHBondContact O-N 3.15Å; H32-R35 VanDerWaalsContact O-O 3.09Å; H32-Y37 HydrophobicContact CB-CD2 3.98Å; H32-Y37 HydrophobicContact CB-CE2 3.82Å; H32-A43 HydrophobicContact CB-CB 4.11Å; H32-A43 PolarHBondContact CD2-O 3.14Å |
| 33 | Q | 85.1 | Confident | 90.8 | Very high | 162 Ų | 162 | 63.5 Ų | 63.5 | 76% | 0.757 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 37.9 | 176.4 | -56.5 | 177.9 | 40.4 | 0 | 0 | 114.6 | R35 | Q33-R35 VanDerWaalsContact C-N 3.28Å; Q33-R35 PolarHBondContact O-N 2.98Å |
| 34 | G | 85.4 | Confident | 90.6 | Very high | 62 Ų | 62 | 66.6 Ų | 66.6 | 64% | 0.639 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | 10.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | H32 | H32-G34 PolarHBondContact O-N 3.48Å; H32-G34 VanDerWaalsContact O-N 3.12Å |
| 35 | R | 89.5 | Confident | 90 | Very high | 151 Ų | 151 | 68.4 Ų | 68.4 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 163.8 | 173.2 | -65.4 | -175.8 | 179.4 | -152.5 | -0.1 | 110.7 | P31 H32 Q33 Y37 | P31-R35 CarbonylContact C-O 3.58Å; P31-R35 WeakPolarHBondContact CA-O 3.42Å; H32-R35 PolarHBondContact N-O 3.22Å; H32-R35 PolarHBondContact O-N 3.15Å; H32-R35 VanDerWaalsContact O-O 3.09Å; Q33-R35 VanDerWaalsContact C-N 3.28Å; Q33-R35 PolarHBondContact O-N 2.98Å; R35-Y37 HydrophobicContact CB-CE2 3.64Å |
| 36 | I | 92.6 | Very high | 88.8 | Confident | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.031 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 145.8 | 176.9 | 55.7 | 176.9 | 0 | 0 | 0 | 110.7 | W8 F15 S16 C17 G18 L24 F29 L30 | W8-I36 HydrophobicContact CH2-CG2 3.91Å; W8-I36 HydrophobicContact CZ2-CG2 3.68Å; F15-I36 HydrophobicContact CD1-CD1 4.2Å; F15-I36 HydrophobicContact CD2-CD1 3.39Å; F15-I36 HydrophobicContact CE1-CD1 4.2Å; F15-I36 HydrophobicContact CE2-CD1 3.4Å; F15-I36 VanDerWaalsContact CE2-CD1 3.4Å; F15-I36 HydrophobicContact CG-CD1 3.82Å; F15-I36 HydrophobicContact CZ-CD1 3.82Å; S16-I36 WeakPolarHBondContact O-CG1 3.33Å; C17-I36 WeakPolarHBondContact CA-O 3.45Å; G18-I36 PolarHBondContact N-O 2.82Å; L24-I36 HydrophobicContact CD1-CB 3.96Å; L24-I36 HydrophobicContact CD1-CD1 3.82Å; L24-I36 HydrophobicContact CD1-CG1 3.76Å; F29-I36 HydrophobicContact CD2-CB 4.25Å; F29-I36 HydrophobicContact CD2-CG2 3.81Å; F29-I36 HydrophobicContact CE2-CG2 4.18Å; L30-I36 WeakPolarHBondContact O-CA 3.25Å |
| 37 | Y | 93.8 | Very high | 87.4 | Confident | 15 Ų | 15 | 71.1 Ų | 71.1 | 6% | 0.059 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 149.8 | -174.2 | -59.8 | -88.7 | 0 | 0 | 0 | 111.6 | Q19 F29 L30 H32 R35 S39 C42 A43 | Q19-Y37 HydrophobicContact CG-CD1 4.18Å; Q19-Y37 HydrophobicContact CG-CE1 3.96Å; F29-Y37 CarbonylContact C-O 3.57Å; F29-Y37 WeakPolarHBondContact CA-O 3.46Å; L30-Y37 PolarHBondContact N-O 3.28Å; L30-Y37 PolarHBondContact O-N 3.02Å; H32-Y37 HydrophobicContact CB-CD2 3.98Å; H32-Y37 HydrophobicContact CB-CE2 3.82Å; R35-Y37 HydrophobicContact CB-CE2 3.64Å; Y37-S39 VanDerWaalsContact C-N 3.32Å; Y37-C42 HydrophobicContact CD1-CB 3.99Å; Y37-C42 WeakPolarHBondContact CD1-O 3.37Å; Y37-C42 WeakPolarHBondContact CE1-O 3.49Å; Y37-A43 HydrophobicContact CD2-CB 3.89Å; Y37-A43 HydrophobicContact CE2-CB 4.42Å; Y37-A43 HydrophobicContact CG-CB 3.93Å |
| 38 | C | 94.1 | Very high | 86 | Confident | 55 Ų | 55 | 70.8 Ų | 70.8 | 37% | 0.372 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -74 | -21.5 | 176.1 | 61 | 0 | 0 | 0 | 0 | 113.8 | C17 C20 L24 | C17-C38 HydrophobicContact CB-CB 4.31Å; C17-C38 PolarHBondContact SG-N 3.44Å; C17-C38 VanDerWaalsContact SG-N 3.36Å; C17-C38 VanDerWaalsContact SG-SG 3.63Å; C20-C38 VanDerWaalsContact SG-SG 3.63Å; L24-C38 HydrophobicContact CD2-CB 3.64Å |
| 39 | S | 92.8 | Very high | 84.4 | Confident | 45 Ų | 45 | 73.8 Ų | 73.8 | 32% | 0.315 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -158.7 | 163 | -171.5 | 69.6 | 0 | 0 | 0 | 0 | 111.8 | Y37 A41 C42 A43 | Y37-S39 VanDerWaalsContact C-N 3.32Å; S39-A41 VanDerWaalsContact C-N 3.32Å; S39-A41 PolarHBondContact O-N 2.61Å; S39-C42 PolarHBondContact O-N 2.98Å; S39-C42 PolarHBondContact OG-N 2.83Å; S39-A43 PolarHBondContact O-N 3.29Å |
| 40 | K | 92.2 | Very high | 82.4 | Confident | 152 Ų | 152 | 74.3 Ų | 74.3 | 66% | 0.661 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.3 | -35.7 | 174.7 | -171.3 | 176.4 | 178.9 | -179.6 | 0 | 112.7 | C42 A43 L44 | K40-C42 PolarHBondContact O-N 2.89Å; K40-A43 PolarHBondContact O-N 2.86Å; K40-L44 HydrophobicContact CG-CD1 4.01Å; K40-L44 HydrophobicContact CG-CG 4.33Å; K40-L44 WeakPolarHBondContact O-CB 3.36Å; K40-L44 WeakPolarHBondContact O-CG 3.42Å; K40-L44 PolarHBondContact O-N 3.36Å |
| 41 | A | 90.2 | Very high | 80.5 | Confident | 37 Ų | 37 | 74.5 Ų | 74.5 | 31% | 0.306 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S39 L44 G45 E46 | S39-A41 VanDerWaalsContact C-N 3.32Å; S39-A41 PolarHBondContact O-N 2.61Å; A41-L44 PolarHBondContact O-N 3.45Å; A41-G45 PolarHBondContact O-N 3.1Å; A41-G45 VanDerWaalsContact O-N 3.08Å; A41-E46 HydrophobicContact CB-CB 4.24Å; A41-E46 PolarHBondContact O-N 3.17Å |
| 42 | C | 91.9 | Very high | 78.5 | Confident | 5 Ų | 5 | 78.3 Ų | 78.3 | 3% | 0.034 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | 173.4 | -73.9 | 0 | 0 | 0 | 0 | 112.5 | Q19 Y37 S39 K40 L44 G45 | Q19-C42 HydrophobicContact CB-CB 4.22Å; Q19-C42 HydrophobicContact CG-CB 4.01Å; Q19-C42 WeakPolarHBondContact CG-O 3.5Å; Q19-C42 PolarHBondContact NE2-O 2.81Å; Y37-C42 HydrophobicContact CD1-CB 3.99Å; Y37-C42 WeakPolarHBondContact CD1-O 3.37Å; Y37-C42 WeakPolarHBondContact CE1-O 3.49Å; S39-C42 PolarHBondContact O-N 2.98Å; S39-C42 PolarHBondContact OG-N 2.83Å; K40-C42 PolarHBondContact O-N 2.89Å; C42-L44 VanDerWaalsContact C-N 3.27Å; C42-L44 PolarHBondContact O-N 2.96Å; C42-G45 PolarHBondContact O-N 3.44Å |
| 43 | A | 91.1 | Very high | 76.7 | Confident | 9 Ų | 9 | 80.1 Ų | 80.1 | 7% | 0.074 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -63.6 | -31 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L30 H32 Y37 S39 K40 | L30-A43 HydrophobicContact CD2-CB 3.55Å; H32-A43 HydrophobicContact CB-CB 4.11Å; H32-A43 PolarHBondContact CD2-O 3.14Å; Y37-A43 HydrophobicContact CD2-CB 3.89Å; Y37-A43 HydrophobicContact CE2-CB 4.42Å; Y37-A43 HydrophobicContact CG-CB 3.93Å; S39-A43 PolarHBondContact O-N 3.29Å; K40-A43 PolarHBondContact O-N 2.86Å |
| 44 | L | 88.1 | Confident | 75.1 | Confident | 102 Ų | 102 | 76.1 Ų | 76.1 | 53% | 0.534 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -84 | -12.3 | 176.2 | -70.3 | 174.1 | 0 | 0 | 0 | 114 | K40 A41 C42 E46 | K40-L44 HydrophobicContact CG-CD1 4.01Å; K40-L44 HydrophobicContact CG-CG 4.33Å; K40-L44 WeakPolarHBondContact O-CB 3.36Å; K40-L44 WeakPolarHBondContact O-CG 3.42Å; K40-L44 PolarHBondContact O-N 3.36Å; A41-L44 PolarHBondContact O-N 3.45Å; C42-L44 VanDerWaalsContact C-N 3.27Å; C42-L44 PolarHBondContact O-N 2.96Å; L44-E46 VanDerWaalsContact C-N 3.3Å; L44-E46 HydrophobicContact CB-CG 4.2Å; L44-E46 VanDerWaalsContact CD1-OE1 3.31Å; L44-E46 WeakPolarHBondContact CD1-OE1 3.35Å |
| 45 | G | 79.7 | Confident | 73.6 | Confident | 41 Ų | 41 | 77.3 Ų | 77.3 | 42% | 0.423 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70 | 26.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A41 C42 D47 | A41-G45 PolarHBondContact O-N 3.1Å; A41-G45 VanDerWaalsContact O-N 3.08Å; C42-G45 PolarHBondContact O-N 3.44Å; G45-D47 PolarHBondContact O-N 2.92Å |
| 46 | E | 67.4 | Low | 72.1 | Confident | 115 Ų | 115 | 74.3 Ų | 74.3 | 54% | 0.537 | 44% | 0.443 | S | S | . | . | | | trans | -62.3 | 119.1 | 166 | -68.4 | 172.2 | -155.9 | 0 | 0 | 107.6 | A41 L44 V48 | A41-E46 HydrophobicContact CB-CB 4.24Å; A41-E46 PolarHBondContact O-N 3.17Å; L44-E46 VanDerWaalsContact C-N 3.3Å; L44-E46 HydrophobicContact CB-CG 4.2Å; L44-E46 VanDerWaalsContact CD1-OE1 3.31Å; L44-E46 WeakPolarHBondContact CD1-OE1 3.35Å; E46-V48 PolarHBondContact O-N 3.22Å |
| 47 | D | 58.3 | Low | 70.4 | Confident | 95 Ų | 95 | 77.3 Ų | 77.3 | 51% | 0.508 | 47% | 0.469 | S | S | . | . | | | trans | -64.1 | 112.6 | -163.3 | 178.4 | -141.8 | 0 | 0 | 0 | 112.3 | G45 H49 A50 | G45-D47 PolarHBondContact O-N 2.92Å; D47-H49 PolarHBondContact O-N 2.95Å; D47-H49 WeakPolarHBondContact OD2-CB 3.32Å; D47-H49 IonicContact OD2-CD2 3.76Å; D47-H49 IonicContact OD2-CG 4Å; D47-H49 PolarHBondContact OD2-N 3Å; D47-A50 HydrophobicContact CB-CB 4.17Å; D47-A50 WeakPolarHBondContact O-CB 3.34Å; D47-A50 PolarHBondContact O-N 2.74Å; D47-A50 PolarHBondContact OD1-N 3.24Å |
| 48 | V | 58.8 | Low | 68.3 | Low | 59 Ų | 59 | 83.9 Ų | 83.9 | 36% | 0.358 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -67.2 | -22.9 | 178.5 | -176.8 | 0 | 0 | 0 | 0 | 110.6 | E46 A50 S51 | E46-V48 PolarHBondContact O-N 3.22Å; V48-A50 VanDerWaalsContact C-N 3.29Å; V48-A50 PolarHBondContact O-N 3.43Å; V48-S51 WeakPolarHBondContact O-CB 3.46Å; V48-S51 PolarHBondContact O-N 3.23Å; V48-S51 VanDerWaalsContact O-N 3.14Å; V48-S51 PolarHBondContact O-OG 3.33Å |
| 49 | H | 55.2 | Low | 66.2 | Low | 178 Ų | 178 | 87.4 Ų | 87.4 | 82% | 0.824 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -77.4 | -11.9 | 173.1 | -63.5 | -67.6 | 0 | 0 | 0 | 113.9 | D47 S51 | D47-H49 PolarHBondContact O-N 2.95Å; D47-H49 WeakPolarHBondContact OD2-CB 3.32Å; D47-H49 IonicContact OD2-CD2 3.76Å; D47-H49 IonicContact OD2-CG 4Å; D47-H49 PolarHBondContact OD2-N 3Å; H49-S51 VanDerWaalsContact C-N 3.27Å |
| 50 | A | 52.2 | Low | 64.3 | Low | 75 Ų | 75 | 89.5 Ų | 89.5 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -82.7 | -0.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D47 V48 D52 | D47-A50 HydrophobicContact CB-CB 4.17Å; D47-A50 WeakPolarHBondContact O-CB 3.34Å; D47-A50 PolarHBondContact O-N 2.74Å; D47-A50 PolarHBondContact OD1-N 3.24Å; V48-A50 VanDerWaalsContact C-N 3.29Å; V48-A50 PolarHBondContact O-N 3.43Å; A50-D52 VanDerWaalsContact C-N 3.29Å; A50-D52 PolarHBondContact O-N 3.33Å |
| 51 | S | 51.8 | Low | 62.4 | Low | 78 Ų | 78 | 86.1 Ų | 86.1 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | | | trans | -76.8 | 79.7 | 170.6 | -56.9 | 0 | 0 | 0 | 0 | 110.4 | V48 H49 S53 | V48-S51 WeakPolarHBondContact O-CB 3.46Å; V48-S51 PolarHBondContact O-N 3.23Å; V48-S51 VanDerWaalsContact O-N 3.14Å; V48-S51 PolarHBondContact O-OG 3.33Å; H49-S51 VanDerWaalsContact C-N 3.27Å; S51-S53 PolarHBondContact O-N 2.93Å; S51-S53 VanDerWaalsContact O-N 3.15Å |
| 52 | D | 49 | Very low | 60.7 | Low | 128 Ų | 128 | 95 Ų | 95 | 68% | 0.684 | 55% | 0.549 | S | S | * | . | | | trans | -50.5 | 116.4 | 168.5 | 178.5 | -5.8 | 0 | 0 | 0 | 110.2 | A50 S54 | A50-D52 VanDerWaalsContact C-N 3.29Å; A50-D52 PolarHBondContact O-N 3.33Å; D52-S54 PolarHBondContact O-N 2.85Å; D52-S54 VanDerWaalsContact OD1-CB 3.3Å; D52-S54 WeakPolarHBondContact OD1-CB 3.4Å; D52-S54 PolarHBondContact OD1-N 3.08Å; D52-S54 PolarHBondContact OD1-OG 3.48Å |
| 53 | S | 51.6 | Low | 58.4 | Low | 112 Ų | 112 | 99.5 Ų | 99.5 | 78% | 0.783 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 23.7 | -171 | -57.1 | 0 | 0 | 0 | 0 | 115.1 | S51 | S51-S53 PolarHBondContact O-N 2.93Å; S51-S53 VanDerWaalsContact O-N 3.15Å |
| 54 | S | 51.6 | Low | 56.6 | Low | 78 Ų | 78 | 109.8 Ų | 109.8 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.5 | -17.4 | -166.1 | -67.6 | 0 | 0 | 0 | 0 | 116.1 | D52 | D52-S54 PolarHBondContact O-N 2.85Å; D52-S54 VanDerWaalsContact OD1-CB 3.3Å; D52-S54 WeakPolarHBondContact OD1-CB 3.4Å; D52-S54 PolarHBondContact OD1-N 3.08Å; D52-S54 PolarHBondContact OD1-OG 3.48Å |
| 55 | D | 53.5 | Low | 54.6 | Low | 87 Ų | 87 | 112.9 Ų | 112.9 | 47% | 0.465 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.8 | -19.7 | -173.8 | -168.6 | 49 | 0 | 0 | 0 | 115 | A57 F58 Q59 | D55-A57 PolarHBondContact O-N 3.14Å; D55-F58 PolarHBondContact O-N 3.34Å; D55-Q59 PolarHBondContact OD2-NE2 2.83Å |
| 56 | S | 57.9 | Low | 53.2 | Low | 89 Ų | 89 | 115.4 Ų | 115.4 | 62% | 0.622 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -56.5 | -22.5 | -176.7 | -57.6 | 0 | 0 | 0 | 0 | 114.4 | S60 | S56-S60 PolarHBondContact O-OG 2.88Å; S56-S60 VanDerWaalsContact O-OG 3.12Å |
| 57 | A | 56.5 | Low | 52.1 | Low | 69 Ų | 69 | 120.9 Ų | 120.9 | 57% | 0.57 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69.2 | -36.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D55 | D55-A57 PolarHBondContact O-N 3.14Å |
| 58 | F | 49.9 | Very low | 51.2 | Low | 152 Ų | 152 | 121.7 Ų | 121.7 | 67% | 0.667 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -90.9 | -27.1 | -169.6 | -67.5 | -71.1 | 0 | 0 | 0 | 114 | D55 | D55-F58 PolarHBondContact O-N 3.34Å |
| 59 | Q | 49.9 | Very low | 50.2 | Low | 130 Ų | 130 | 122.7 Ų | 122.7 | 61% | 0.607 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70 | -38.3 | 176 | -56.2 | -165.2 | 20.7 | 0 | 0 | 111.9 | D55 A61 R62 S63 | D55-Q59 PolarHBondContact OD2-NE2 2.83Å; Q59-A61 PolarHBondContact O-N 3.49Å; Q59-R62 PolarHBondContact O-N 2.99Å; Q59-S63 PolarHBondContact O-N 3.38Å |
| 60 | S | 53.6 | Low | 49.5 | Very low | 89 Ų | 89 | 120.8 Ų | 120.8 | 62% | 0.622 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -29.6 | 177.2 | -62 | 0 | 0 | 0 | 0 | 113.5 | S56 R62 | S56-S60 PolarHBondContact O-OG 2.88Å; S56-S60 VanDerWaalsContact O-OG 3.12Å; S60-R62 VanDerWaalsContact C-N 3.28Å; S60-R62 PolarHBondContact O-N 3.18Å |
| 61 | A | 52.4 | Low | 49.4 | Very low | 81 Ų | 81 | 127.5 Ų | 127.5 | 67% | 0.669 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -14.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q59 | Q59-A61 PolarHBondContact O-N 3.49Š|
| 62 | R | 53.1 | Low | 49.1 | Very low | 224 Ų | 224 | 131.2 Ų | 131.2 | 85% | 0.845 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -19.6 | -178.4 | -58.8 | -168.6 | -175.2 | -134.2 | -0.9 | 113.8 | Q59 S60 R64 | Q59-R62 PolarHBondContact O-N 2.99Å; S60-R62 VanDerWaalsContact C-N 3.28Å; S60-R62 PolarHBondContact O-N 3.18Å; R62-R64 PolarHBondContact O-N 3.07Å |
| 63 | S | 45.7 | Very low | 48.4 | Very low | 98 Ų | 98 | 128.6 Ų | 128.6 | 69% | 0.685 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 35.4 | 177 | -153.9 | 0 | 0 | 0 | 0 | 114.1 | Q59 | Q59-S63 PolarHBondContact O-N 3.38Š|
| 64 | R | 51.6 | Low | 48.1 | Very low | 225 Ų | 225 | 132.6 Ų | 132.6 | 85% | 0.849 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | -9.3 | 178.8 | -138.4 | 173.1 | -168.2 | -101.5 | 2.5 | 114.5 | R62 S66 | R62-R64 PolarHBondContact O-N 3.07Å; R64-S66 PolarHBondContact O-N 2.9Å |
| 65 | E | 47.4 | Very low | 47.4 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -100.8 | 47.9 | -179.8 | -156 | 61.1 | -103.8 | 0 | 0 | 112.3 | | |
| 66 | S | 49.5 | Very low | 46.8 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 66% | 0.657 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -135.6 | 19.5 | 177.5 | 62.5 | 0 | 0 | 0 | 0 | 113.6 | R64 | R64-S66 PolarHBondContact O-N 2.9Š|
| 67 | R | 44.8 | Very low | 46.1 | Very low | 230 Ų | 230 | 142 Ų | 142 | 87% | 0.868 | 75% | 0.745 | S | S | * | * | | | trans | -135.7 | 74.8 | 169.5 | -65.5 | -168.4 | -173.2 | -139.7 | 1.2 | 110.8 | S69 | R67-S69 PolarHBondContact O-N 3.12Š|
| 68 | C | 38.5 | Very low | 45.1 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | | | trans | -57 | 107.4 | 170.6 | -61.2 | 0 | 0 | 0 | 0 | 109.8 | V70 | C68-V70 PolarHBondContact O-N 3.17Å; C68-V70 VanDerWaalsContact O-N 3.11Å |
| 69 | S | 38.4 | Very low | 44.4 | Very low | 80 Ų | 80 | 141.5 Ų | 141.5 | 56% | 0.559 | 76% | 0.762 | S | S | * | * | | | trans | -69.9 | 109.3 | 179.5 | 67.1 | 0 | 0 | 0 | 0 | 110 | R67 R71 | R67-S69 PolarHBondContact O-N 3.12Å; S69-R71 PolarHBondContact O-N 2.89Å |
| 70 | V | 40.6 | Very low | 44.2 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | | | trans | -70.2 | 83.8 | 171.2 | -177.5 | 0 | 0 | 0 | 0 | 109.1 | C68 | C68-V70 PolarHBondContact O-N 3.17Å; C68-V70 VanDerWaalsContact O-N 3.11Å |
| 71 | R | 49.5 | Very low | 43.8 | Very low | 216 Ų | 216 | 147.6 Ų | 147.6 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | | | trans | -91.6 | 106.1 | 167.3 | -82.5 | -169.7 | -87.9 | -168.8 | -4.4 | 108.9 | S69 G73 | S69-R71 PolarHBondContact O-N 2.89Å; R71-G73 VanDerWaalsContact C-N 3.27Å; R71-G73 PolarHBondContact O-N 3.29Å |
| 72 | L | 46.3 | Very low | 43 | Very low | 156 Ų | 156 | 149.9 Ų | 149.9 | 82% | 0.817 | 80% | 0.795 | S | S | * | * | | | trans | -73.7 | 73.6 | -177.9 | -166.5 | 74 | 0 | 0 | 0 | 111.7 | | |
| 73 | G | 34.8 | Very low | 42.5 | Very low | 73 Ų | 73 | 150.9 Ų | 150.9 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | -91.3 | 123 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | R71 | R71-G73 VanDerWaalsContact C-N 3.27Å; R71-G73 PolarHBondContact O-N 3.29Å |
| 74 | K | 44.8 | Very low | 41.9 | Very low | 195 Ų | 195 | 155.4 Ų | 155.4 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | | | trans | -90.5 | 125.5 | 178.2 | -51 | 110.8 | 171.6 | -177.5 | 0 | 111.3 | | |
| 75 | S | 36.7 | Very low | 40.9 | Very low | 124 Ų | 124 | 150.1 Ų | 150.1 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | | | trans | -158.3 | 165.8 | 145.1 | 64.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 76 | S | 41.2 | Very low | 40.5 | Very low | 99 Ų | 99 | 149.9 Ų | 149.9 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | | | trans | -131.1 | 145.6 | -171.5 | 55.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 77 | R | 42.4 | Very low | 39.8 | Very low | 229 Ų | 229 | 153.1 Ų | 153.1 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | | | | 170 | 146.1 | 123.7 | -91.8 | 159.7 | -179.8 | -123.1 | -4.3 | 113.8 | | |
| 78 | S | 36.9 | Very low | 39.1 | Very low | 105 Ų | 105 | 151.7 Ų | 151.7 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | | | trans | 23.2 | 110.4 | 154.9 | 56.2 | 0 | 0 | 0 | 0 | 119.5 | D80 | S78-D80 PolarHBondContact O-N 2.87Š|
| 79 | A | 35.3 | Very low | 38.7 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 87% | 0.868 | 82% | 0.817 | S | S | * | * | | | trans | -96.7 | 71.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 80 | D | 44.4 | Very low | 38.5 | Very low | 146 Ų | 146 | 153.7 Ų | 153.7 | 78% | 0.781 | 83% | 0.832 | S | S | * | * | | | trans | -140.5 | 81.3 | 178.6 | -94.6 | -52 | 0 | 0 | 0 | 111.4 | S78 | S78-D80 PolarHBondContact O-N 2.87Š|
| 81 | Q | 45.6 | Very low | 38.1 | Very low | 202 Ų | 202 | 153 Ų | 153 | 94% | 0.944 | 83% | 0.832 | S | S | * | * | | | trans | 172.1 | 86.9 | 153.8 | -98.8 | 165 | 40.9 | 0 | 0 | 111 | | |
| 82 | C | 35.1 | Very low | 37.3 | Very low | 128 Ų | 128 | 148.6 Ų | 148.6 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | | | trans | -154.2 | 42.9 | 165.8 | -154.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 83 | R | 42.8 | Very low | 36.6 | Very low | 245 Ų | 245 | 148.1 Ų | 148.1 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | | | trans | -144.6 | 64.8 | 173.6 | -77.8 | -159.7 | 169.4 | -159.9 | -3.2 | 113 | | |
| 84 | Q | 33.8 | Very low | 36.4 | Very low | 193 Ų | 193 | 155.1 Ų | 155.1 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | | | trans | -161.5 | 109.2 | 162.3 | -112 | 166.1 | 36.2 | 0 | 0 | 111.2 | | |
| 85 | S | 31.2 | Very low | 36 | Very low | 115 Ų | 115 | 154.3 Ų | 154.3 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | 161.6 | 159.1 | 136 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 86 | L | 38.7 | Very low | 35.7 | Very low | 162 Ų | 162 | 158.1 Ų | 158.1 | 85% | 0.848 | 83% | 0.831 | S | S | * | * | | | trans | 66.6 | 61.1 | 165.9 | -48.1 | -170.9 | 0 | 0 | 0 | 118.3 | | |
| 87 | L | 34.4 | Very low | 35.9 | Very low | 162 Ų | 162 | 158.7 Ų | 158.7 | 85% | 0.848 | 83% | 0.832 | S | S | * | * | | | trans | -74 | 133.9 | 133.3 | -70.5 | 169.7 | 0 | 0 | 0 | 108.4 | | |
| 88 | F | 30.7 | Very low | 35.2 | Very low | 200 Ų | 200 | 151 Ų | 151 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | | | trans | -168.6 | 128.7 | 144.6 | -99 | -59 | 0 | 0 | 0 | 113.3 | | |
| 89 | S | 28.9 | Very low | 35.1 | Very low | 100 Ų | 100 | 153.9 Ų | 153.9 | 70% | 0.699 | 83% | 0.83 | S | S | * | * | | | trans | 46.2 | 116.2 | 149.4 | -53.2 | 0 | 0 | 0 | 0 | 122.6 | | |
| 90 | P | 34.7 | Very low | 35.2 | Very low | 135 Ų | 135 | 153.2 Ų | 153.2 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -74 | 153 | 143.7 | -4.6 | 23.6 | 0 | 0 | 0 | 111.2 | | |
| 91 | S | 32.8 | Very low | 34.5 | Very low | 122 Ų | 122 | 155.2 Ų | 155.2 | 85% | 0.853 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 161 | -172.6 | 46.6 | 0 | 0 | 0 | 0 | 115.4 | | |
| 92 | V | 31.6 | Very low | 33.9 | Very low | 124 Ų | 124 | 153.2 Ų | 153.2 | 75% | 0.752 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 160.3 | -170.5 | -81.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 93 | N | 31.2 | Very low | 33.9 | Very low | 147 Ų | 147 | 150.1 Ų | 150.1 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | | | trans | 103.9 | 135.8 | 162.4 | -57.5 | -65.8 | 0 | 0 | 0 | 115.2 | | |
| 94 | Y | 31.3 | Very low | 33.5 | Very low | 220 Ų | 220 | 146.2 Ų | 146.2 | 86% | 0.863 | 80% | 0.795 | S | S | * | * | | | cis | -142.5 | 169.3 | 28.8 | -148.3 | -93.9 | 0 | 0 | 0 | 112.9 | | |
| 95 | K | 36.1 | Very low | 33.6 | Very low | 178 Ų | 178 | 144.2 Ų | 144.2 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | | | trans | -104.9 | 146 | 180 | -73.2 | -179.1 | 174.3 | -179.8 | 0 | 113.5 | | |
| 96 | F | 30.1 | Very low | 33.9 | Very low | 203 Ų | 203 | 145.3 Ų | 145.3 | 89% | 0.89 | 79% | 0.792 | S | S | * | * | | | | -163.9 | 154 | 108.6 | -135.9 | -108.1 | 0 | 0 | 0 | 112.6 | | |
| 97 | P | 45.4 | Very low | 33.9 | Very low | 111 Ų | 111 | 145 Ų | 145 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | | | trans | -125.6 | 175.2 | -164.1 | 40.3 | -23.8 | 0 | 0 | 0 | 117 | | |
| 98 | G | 27.5 | Very low | 33.7 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | trans | 155.4 | 135.6 | 175 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 99 | I | 36.5 | Very low | 34 | Very low | 165 Ų | 165 | 141 Ų | 141 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | cis | -148.7 | 162.9 | 21.6 | 25 | 171 | 0 | 0 | 0 | 111 | | |
| 100 | S | 35.6 | Very low | 34.6 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 64% | 0.643 | 78% | 0.784 | S | S | * | * | | | trans | 13.3 | 118.8 | 158.9 | 55.4 | 0 | 0 | 0 | 0 | 119.2 | | |
| 101 | E | 30.2 | Very low | 34.3 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | | | | 72.9 | 96.2 | 69.6 | -174.7 | -175.1 | -164.7 | 0 | 0 | 113.6 | | |
| 102 | N | 32.7 | Very low | 34.4 | Very low | 160 Ų | 160 | 146.3 Ų | 146.3 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | | | | -154.6 | 166 | 114 | -160.2 | 8.3 | 0 | 0 | 0 | 108.6 | | |
| 103 | A | 35.8 | Very low | 34.4 | Very low | 62 Ų | 62 | 147.4 Ų | 147.4 | 51% | 0.512 | 78% | 0.775 | S | S | . | * | | | trans | -134.4 | -170.3 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 104 | E | 34 | Very low | 34.4 | Very low | 163 Ų | 163 | 146.9 Ų | 146.9 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | 65.1 | 129.2 | 172.8 | -15.5 | -53.4 | -175.9 | 0 | 0 | 119.5 | | |
| 105 | D | 35.9 | Very low | 34.5 | Very low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 77% | 0.772 | S | S | * | * | | | trans | 44.1 | 129.5 | 140.5 | -58.4 | -17.3 | 0 | 0 | 0 | 121.1 | | |
| 106 | T | 37.4 | Very low | 34.2 | Very low | 138 Ų | 138 | 140.4 Ų | 140.4 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | | | cis | -152.4 | 152.7 | 45.6 | 42.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 107 | L | 38.4 | Very low | 34 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | trans | -87.6 | 121.8 | 171.2 | -176.8 | 169.3 | 0 | 0 | 0 | 110.7 | | |
| 108 | T | 31.7 | Very low | 33.3 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 63% | 0.632 | 76% | 0.761 | S | S | * | * | | | trans | 179.2 | 144.2 | 138.2 | 23.6 | 0 | 0 | 0 | 0 | 117.4 | | |
| 109 | K | 36.3 | Very low | 33.5 | Very low | 176 Ų | 176 | 142.9 Ų | 142.9 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | | | trans | 59.9 | 96.9 | 142 | -66.8 | 166.1 | -174.7 | 175.6 | 0 | 119.8 | T111 | K109-T111 PolarHBondContact O-N 3.47Š|
| 110 | I | 40.9 | Very low | 33.3 | Very low | 171 Ų | 171 | 143.1 Ų | 143.1 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | | | trans | -52 | 122.6 | 130 | -60.2 | 163.1 | 0 | 0 | 0 | 108.7 | | |
| 111 | T | 29.8 | Very low | 33.2 | Very low | 100 Ų | 100 | 149.5 Ų | 149.5 | 61% | 0.613 | 77% | 0.771 | S | S | * | * | | | trans | 170.4 | 122.5 | 138.3 | 36.2 | 0 | 0 | 0 | 0 | 108.8 | K109 | K109-T111 PolarHBondContact O-N 3.47Š|
| 112 | H | 33.3 | Very low | 33.2 | Very low | 197 Ų | 197 | 151.7 Ų | 151.7 | 91% | 0.912 | 77% | 0.771 | S | S | * | * | | | | -158.2 | 146.3 | 126.3 | -96.6 | -68 | 0 | 0 | 0 | 108 | | |
| 113 | L | 31.9 | Very low | 32.8 | Very low | 147 Ų | 147 | 151.2 Ų | 151.2 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | -107.8 | 164.4 | -166.8 | -70.9 | 164.6 | 0 | 0 | 0 | 111.6 | | |
| 114 | N | 32.4 | Very low | 32.3 | Very low | 137 Ų | 137 | 158 Ų | 158 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | | | trans | 33.1 | 118 | 144.1 | -56.3 | -6.9 | 0 | 0 | 0 | 119.7 | | |
| 115 | L | 32.8 | Very low | 32 | Very low | 164 Ų | 164 | 153.3 Ų | 153.3 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | | | | -123.7 | 135 | 121.5 | -74.9 | 166.9 | 0 | 0 | 0 | 104.9 | | |
| 116 | S | 29.3 | Very low | 32 | Very low | 97 Ų | 97 | 153.9 Ų | 153.9 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | | | | 65.5 | 142.3 | 63.8 | -58 | 0 | 0 | 0 | 0 | 112 | | |
| 117 | D | 26.8 | Very low | 31.7 | Very low | 148 Ų | 148 | 156.1 Ų | 156.1 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | cis | -145.5 | 173.2 | 22 | -150.6 | 13 | 0 | 0 | 0 | 115.6 | | |
| 118 | E | 30.2 | Very low | 31.4 | Very low | 146 Ų | 146 | 152.7 Ų | 152.7 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | | | trans | -58.4 | 156 | -171.9 | -63.3 | -80.1 | 87.2 | 0 | 0 | 117.2 | | |
| 119 | H | 31.4 | Very low | 31.3 | Very low | 140 Ų | 140 | 157 Ų | 157 | 65% | 0.648 | 78% | 0.777 | S | S | * | * | | | trans | -0.7 | 140.2 | 146.9 | -55.1 | -83.2 | 0 | 0 | 0 | 120.4 | | |
| 120 | L | 32.8 | Very low | 31.4 | Very low | 170 Ų | 170 | 154.6 Ų | 154.6 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | | | | -157.8 | 95.6 | 121.7 | -113.5 | 164.6 | 0 | 0 | 0 | 113.3 | | |
| 121 | W | 33.1 | Very low | 31.9 | Very low | 226 Ų | 226 | 151.6 Ų | 151.6 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | | | trans | -82.7 | 124.2 | 164.7 | -75.4 | 92.4 | 0 | 0 | 0 | 110.6 | | |
| 122 | R | 30.1 | Very low | 32.2 | Very low | 235 Ų | 235 | 154 Ų | 154 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | | | trans | -168.1 | 163.9 | 138.2 | -133.8 | 168.7 | -76 | -114.4 | 0.5 | 114 | | |
| 123 | E | 24.6 | Very low | 32.5 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 70% | 0.696 | 77% | 0.765 | S | S | * | * | | | trans | 81.1 | 121.4 | 162.4 | -138.2 | 164.5 | -163.8 | 0 | 0 | 115.6 | | |
| 124 | R | 25.3 | Very low | 33.1 | Very low | 206 Ų | 206 | 154 Ų | 154 | 78% | 0.777 | 77% | 0.773 | S | S | * | * | | | cis | -167.8 | 150.3 | -6.2 | 155.4 | -171 | -60.4 | -97.7 | 5.8 | 110 | | |
| 125 | G | 28.3 | Very low | 33.9 | Very low | 63 Ų | 63 | 156.4 Ų | 156.4 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | | | trans | 144.7 | 115.3 | 160 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 126 | E | 35.5 | Very low | 34.7 | Very low | 163 Ų | 163 | 157.4 Ų | 157.4 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | -27.5 | 152 | 147 | -69.4 | 102.1 | 163.8 | 0 | 0 | 115 | | |
| 127 | E | 30 | Very low | 35.6 | Very low | 185 Ų | 185 | 160.6 Ų | 160.6 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | cis | -163.2 | 163.8 | 10.1 | -105.5 | 162.8 | 173.8 | 0 | 0 | 104.9 | | |
| 128 | A | 33 | Very low | 36.1 | Very low | 84 Ų | 84 | 165.7 Ų | 165.7 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | | | cis | -175.6 | 158 | -6.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 129 | E | 30.4 | Very low | 37 | Very low | 194 Ų | 194 | 163 Ų | 163 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | | | trans | 58.9 | 99 | 160.6 | -61.5 | -173.5 | 175.3 | 0 | 0 | 121.7 | | |
| 130 | V | 38.5 | Very low | 37.9 | Very low | 124 Ų | 124 | 163.8 Ų | 163.8 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | -120 | 137.2 | 148.5 | 172.6 | 0 | 0 | 0 | 0 | 103.3 | E132 | V130-E132 HydrophobicContact CG1-CG 4.14Š|
| 131 | P | 49.8 | Very low | 39 | Very low | 109 Ų | 109 | 163.7 Ų | 163.7 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | | | | -154.3 | -169.3 | 74.3 | 34.3 | -9.1 | 0 | 0 | 0 | 115.6 | | |
| 132 | E | 37.4 | Very low | 39.9 | Very low | 150 Ų | 150 | 159.9 Ų | 159.9 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | cis | -162 | 174.2 | -39.2 | -96.3 | 155.5 | 166.5 | 0 | 0 | 107.9 | V130 | V130-E132 HydrophobicContact CG1-CG 4.14Š|
| 133 | D | 39.3 | Very low | 41.6 | Very low | 144 Ų | 144 | 153 Ų | 153 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | | | trans | 50.1 | 127 | 153.8 | -57.3 | -14.7 | 0 | 0 | 0 | 123.2 | | |
| 134 | Q | 43.2 | Very low | 43.7 | Very low | 199 Ų | 199 | 153 Ų | 153 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | | | trans | -131.5 | 40.3 | 164.9 | -72.5 | -161.4 | -41 | 0 | 0 | 112.1 | | |
| 135 | E | 49.8 | Very low | 45.7 | Very low | 188 Ų | 188 | 148.6 Ų | 148.6 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -123.3 | 2 | -169.1 | -63.7 | -163.4 | -156.8 | 0 | 0 | 116.8 | | |
| 136 | E | 49.6 | Very low | 47.7 | Very low | 186 Ų | 186 | 148.7 Ų | 148.7 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | | | trans | -129.1 | 20 | -177.6 | -150.8 | 152.9 | -136.1 | 0 | 0 | 115.9 | W138 | E136-W138 PolarHBondContact O-N 2.89Å; E136-W138 VanDerWaalsContact O-N 3.1Å |
| 137 | E | 49.3 | Very low | 49.3 | Very low | 163 Ų | 163 | 146 Ų | 146 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | | | trans | -85 | 67.7 | 179.7 | -162.4 | -168.2 | 158.2 | 0 | 0 | 113.6 | | |
| 138 | W | 35.7 | Very low | 51.2 | Low | 256 Ų | 256 | 139.6 Ų | 139.6 | 97% | 0.97 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -132.8 | 14.4 | 171.4 | -72.5 | 101 | 0 | 0 | 0 | 114.6 | E136 | E136-W138 PolarHBondContact O-N 2.89Å; E136-W138 VanDerWaalsContact O-N 3.1Å |
| 139 | A | 49.7 | Very low | 53.3 | Low | 89 Ų | 89 | 141.5 Ų | 141.5 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -122.4 | -11.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 140 | E | 50.7 | Low | 55.4 | Low | 156 Ų | 156 | 138.4 Ų | 138.4 | 73% | 0.729 | 69% | 0.685 | S | S | * | * | | | trans | -88.2 | -14.3 | -171.8 | -59.6 | -162.4 | 147.5 | 0 | 0 | 114.9 | E142 D143 | E140-E142 PolarHBondContact O-N 3.35Å; E140-D143 PolarHBondContact O-N 3Å |
| 141 | H | 54.8 | Low | 56.8 | Low | 169 Ų | 169 | 139.7 Ų | 139.7 | 78% | 0.782 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 45.8 | -174 | -160.2 | -61.9 | 0 | 0 | 0 | 114.4 | | |
| 142 | E | 52 | Low | 57.8 | Low | 145 Ų | 145 | 140.3 Ų | 140.3 | 68% | 0.678 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | -14.6 | 159.4 | -70.7 | -65 | 168.9 | 0 | 0 | 111.8 | E140 Y144 T146 | E140-E142 PolarHBondContact O-N 3.35Å; E142-Y144 PolarHBondContact O-N 3.41Å; E142-T146 PolarHBondContact O-OG1 2.95Å |
| 143 | D | 66 | Low | 59.1 | Low | 92 Ų | 92 | 136.1 Ų | 136.1 | 49% | 0.492 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -72.2 | -26.6 | -173.4 | -106.2 | 40 | 0 | 0 | 0 | 113.9 | E140 M145 T146 Q147 | E140-D143 PolarHBondContact O-N 3Å; D143-M145 PolarHBondContact O-N 3.39Å; D143-T146 WeakPolarHBondContact CA-OG1 3.32Å; D143-T146 PolarHBondContact O-OG1 3.22Å; D143-T146 VanDerWaalsContact O-OG1 3.09Å; D143-Q147 WeakPolarHBondContact O-CB 3.4Å; D143-Q147 WeakPolarHBondContact O-CG 3.46Å; D143-Q147 PolarHBondContact O-N 3.48Å; D143-Q147 PolarHBondContact OD2-NE2 3Å |
| 144 | Y | 68.7 | Low | 60.1 | Low | 149 Ų | 149 | 136.1 Ų | 136.1 | 58% | 0.584 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -64.6 | -45.2 | -179.2 | -177.8 | -109.7 | 0 | 0 | 0 | 112.6 | E142 L148 | E142-Y144 PolarHBondContact O-N 3.41Å; Y144-L148 HydrophobicContact CD1-CD1 4.08Å; Y144-L148 HydrophobicContact CE1-CD1 3.53Å; Y144-L148 HydrophobicContact CE1-CG 4.22Å; Y144-L148 HydrophobicContact CE2-CD1 4.47Å; Y144-L148 HydrophobicContact CE2-CD2 4.5Å; Y144-L148 HydrophobicContact CE2-CG 4.36Å; Y144-L148 WeakPolarHBondContact O-CB 3.08Å; Y144-L148 WeakPolarHBondContact O-CG 3.1Å; Y144-L148 PolarHBondContact O-N 3.01Å |
| 145 | M | 68.1 | Low | 60.4 | Low | 113 Ų | 113 | 132.7 Ų | 132.7 | 56% | 0.557 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -73.5 | -35.5 | -178.4 | -69.4 | -58.9 | -62.4 | 0 | 0 | 112.1 | D143 L148 L149 | D143-M145 PolarHBondContact O-N 3.39Å; M145-L148 PolarHBondContact O-N 3.34Å; M145-L148 HydrophobicContact SD-CD1 4.1Å; M145-L149 WeakPolarHBondContact O-CD1 3.5Å; M145-L149 PolarHBondContact O-N 2.82Å; M145-L149 VanDerWaalsContact O-N 3.08Å |
| 146 | T | 69.6 | Low | 60.6 | Low | 65 Ų | 65 | 127.6 Ų | 127.6 | 40% | 0.399 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -71 | -40.7 | 174.6 | 58.8 | 0 | 0 | 0 | 0 | 111.4 | E142 D143 L148 L149 L150 | E142-T146 PolarHBondContact O-OG1 2.95Å; D143-T146 WeakPolarHBondContact CA-OG1 3.32Å; D143-T146 PolarHBondContact O-OG1 3.22Å; D143-T146 VanDerWaalsContact O-OG1 3.09Å; T146-L148 PolarHBondContact O-N 3.3Å; T146-L149 PolarHBondContact O-N 3.09Å; T146-L150 WeakPolarHBondContact O-CB 3Å; T146-L150 WeakPolarHBondContact O-CG 3.47Å; T146-L150 PolarHBondContact O-N 2.85Å |
| 147 | Q | 69.1 | Low | 60.4 | Low | 105 Ų | 105 | 124.4 Ų | 124.4 | 49% | 0.491 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -61.5 | -40.2 | 171.7 | -74 | 176.2 | 33.2 | 0 | 0 | 111.7 | D143 L150 K151 | D143-Q147 WeakPolarHBondContact O-CB 3.4Å; D143-Q147 WeakPolarHBondContact O-CG 3.46Å; D143-Q147 PolarHBondContact O-N 3.48Å; D143-Q147 PolarHBondContact OD2-NE2 3Å; Q147-L150 PolarHBondContact O-N 3.15Å; Q147-K151 WeakPolarHBondContact O-CB 3.41Å; Q147-K151 PolarHBondContact O-N 3.48Å |
| 148 | L | 71.3 | Confident | 60.2 | Low | 51 Ų | 51 | 126.6 Ų | 126.6 | 27% | 0.267 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -60.1 | -46.8 | 172.7 | -76.6 | -179.3 | 0 | 0 | 0 | 111.7 | Y144 M145 T146 K151 F152 | Y144-L148 HydrophobicContact CD1-CD1 4.08Å; Y144-L148 HydrophobicContact CE1-CD1 3.53Å; Y144-L148 HydrophobicContact CE1-CG 4.22Å; Y144-L148 HydrophobicContact CE2-CD1 4.47Å; Y144-L148 HydrophobicContact CE2-CD2 4.5Å; Y144-L148 HydrophobicContact CE2-CG 4.36Å; Y144-L148 WeakPolarHBondContact O-CB 3.08Å; Y144-L148 WeakPolarHBondContact O-CG 3.1Å; Y144-L148 PolarHBondContact O-N 3.01Å; M145-L148 PolarHBondContact O-N 3.34Å; M145-L148 HydrophobicContact SD-CD1 4.1Å; T146-L148 PolarHBondContact O-N 3.3Å; L148-K151 PolarHBondContact O-N 3.5Å; L148-F152 HydrophobicContact CD2-CD2 3.89Å; L148-F152 HydrophobicContact CD2-CE2 3.68Å; L148-F152 WeakPolarHBondContact O-CB 3.49Å; L148-F152 WeakPolarHBondContact O-CD2 3.44Å; L148-F152 PolarHBondContact O-N 2.93Å |
| 149 | L | 76.5 | Confident | 60.5 | Low | 124 Ų | 124 | 121.4 Ų | 121.4 | 65% | 0.649 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.4 | -41.7 | 177.3 | -98.8 | 67.9 | 0 | 0 | 0 | 112.4 | M145 T146 G153 | M145-L149 WeakPolarHBondContact O-CD1 3.5Å; M145-L149 PolarHBondContact O-N 2.82Å; M145-L149 VanDerWaalsContact O-N 3.08Å; T146-L149 PolarHBondContact O-N 3.09Å; L149-G153 WeakPolarHBondContact O-CA 3.46Å; L149-G153 PolarHBondContact O-N 3.41Å |
| 150 | L | 73.4 | Confident | 60.1 | Low | 130 Ų | 130 | 125.4 Ų | 125.4 | 68% | 0.681 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.6 | -37.8 | 178.2 | -79.2 | 159.4 | 0 | 0 | 0 | 112.9 | T146 Q147 | T146-L150 WeakPolarHBondContact O-CB 3Å; T146-L150 WeakPolarHBondContact O-CG 3.47Å; T146-L150 PolarHBondContact O-N 2.85Å; Q147-L150 PolarHBondContact O-N 3.15Å |
| 151 | K | 69.3 | Low | 59.2 | Low | 151 Ų | 151 | 123.1 Ų | 123.1 | 66% | 0.657 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -81.1 | -27.4 | -175.9 | -169.7 | 171.3 | -174.4 | 172.2 | 0 | 113.5 | Q147 L148 | Q147-K151 WeakPolarHBondContact O-CB 3.41Å; Q147-K151 PolarHBondContact O-N 3.48Å; L148-K151 PolarHBondContact O-N 3.5Å |
| 152 | F | 71.3 | Confident | 58.3 | Low | 122 Ų | 122 | 120.9 Ų | 120.9 | 54% | 0.535 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -119.3 | -23.6 | -177.1 | -61.6 | -70.3 | 0 | 0 | 0 | 114.8 | L148 N154 H155 | L148-F152 HydrophobicContact CD2-CD2 3.89Å; L148-F152 HydrophobicContact CD2-CE2 3.68Å; L148-F152 WeakPolarHBondContact O-CB 3.49Å; L148-F152 WeakPolarHBondContact O-CD2 3.44Å; L148-F152 PolarHBondContact O-N 2.93Å; F152-N154 PolarHBondContact O-N 3.38Å; F152-N154 VanDerWaalsContact O-N 3.17Å; F152-H155 PolarHBondContact O-N 3.01Å; F152-H155 VanDerWaalsContact O-N 3.11Å |
| 153 | G | 64.2 | Low | 57.2 | Low | 61 Ų | 61 | 120.8 Ų | 120.8 | 63% | 0.629 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -17.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | L149 | L149-G153 WeakPolarHBondContact O-CA 3.46Å; L149-G153 PolarHBondContact O-N 3.41Å |
| 154 | N | 59.6 | Low | 55.7 | Low | 144 Ų | 144 | 121.7 Ų | 121.7 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 0.4 | 175.9 | -75.5 | -38.6 | 0 | 0 | 0 | 114.2 | F152 G156 | F152-N154 PolarHBondContact O-N 3.38Å; F152-N154 VanDerWaalsContact O-N 3.17Å; N154-G156 VanDerWaalsContact C-N 3.26Å; N154-G156 PolarHBondContact O-N 3.5Å |
| 155 | H | 50.4 | Low | 54 | Low | 128 Ų | 128 | 125.2 Ų | 125.2 | 59% | 0.593 | 66% | 0.661 | S | S | * | * | | | trans | -82.9 | 67.4 | 174.3 | -75.7 | -58.1 | 0 | 0 | 0 | 112.5 | F152 I157 | F152-H155 PolarHBondContact O-N 3.01Å; F152-H155 VanDerWaalsContact O-N 3.11Å; H155-I157 PolarHBondContact O-N 3.36Å |
| 156 | G | 53.7 | Low | 52.5 | Low | 80 Ų | 80 | 125.9 Ų | 125.9 | 83% | 0.825 | 67% | 0.674 | S | S | * | * | | | trans | -68.1 | 88.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | N154 | N154-G156 VanDerWaalsContact C-N 3.26Å; N154-G156 PolarHBondContact O-N 3.5Å |
| 157 | I | 45.3 | Very low | 50.6 | Low | 120 Ų | 120 | 129 Ų | 129 | 62% | 0.615 | 69% | 0.693 | S | S | * | * | | | trans | -112.3 | 83.4 | 178.6 | -56.1 | -176.7 | 0 | 0 | 0 | 110.1 | H155 Q159 | H155-I157 PolarHBondContact O-N 3.36Å; I157-Q159 HydrophobicContact CG2-CB 3.58Å; I157-Q159 PolarHBondContact O-N 3.19Å |
| 158 | F | 44.7 | Very low | 48.9 | Very low | 209 Ų | 209 | 130.8 Ų | 130.8 | 92% | 0.917 | 71% | 0.705 | S | S | * | * | | | trans | -76.2 | 93 | 155.1 | -134.1 | -83 | 0 | 0 | 0 | 107 | | |
| 159 | Q | 41.6 | Very low | 47 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | | | trans | -133.4 | 101.9 | 175 | -169.3 | 157.7 | 72.6 | 0 | 0 | 110.6 | I157 T161 | I157-Q159 HydrophobicContact CG2-CB 3.58Å; I157-Q159 PolarHBondContact O-N 3.19Å; Q159-T161 HydrophobicContact CG-CG2 4.38Å; Q159-T161 PolarHBondContact O-N 3.29Å |
| 160 | Q | 41.5 | Very low | 44.8 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | -68.9 | 108.4 | 168.8 | -69.7 | 175.9 | -29.9 | 0 | 0 | 109.2 | | |
| 161 | T | 31.8 | Very low | 42.9 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 66% | 0.663 | 76% | 0.756 | S | S | * | * | | | trans | -101.4 | 94.2 | 163.5 | 50.6 | 0 | 0 | 0 | 0 | 108.9 | Q159 D163 | Q159-T161 HydrophobicContact CG-CG2 4.38Å; Q159-T161 PolarHBondContact O-N 3.29Å; T161-D163 VanDerWaalsContact C-N 3.29Å; T161-D163 PolarHBondContact O-N 2.78Å |
| 162 | T | 36.6 | Very low | 41.2 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | | | trans | -74.2 | 81.9 | 171.7 | 51.4 | 0 | 0 | 0 | 0 | 109.9 | S164 | T162-S164 VanDerWaalsContact C-N 3.3Å; T162-S164 PolarHBondContact O-N 2.97Å |
| 163 | D | 28.8 | Very low | 39.2 | Very low | 142 Ų | 142 | 145.2 Ų | 145.2 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | -80.4 | 77.4 | 174.4 | -110.2 | -41 | 0 | 0 | 0 | 110.8 | T161 R165 | T161-D163 VanDerWaalsContact C-N 3.29Å; T161-D163 PolarHBondContact O-N 2.78Å; D163-R165 PolarHBondContact O-N 3.35Å |
| 164 | S | 35 | Very low | 37.9 | Very low | 112 Ų | 112 | 150.7 Ų | 150.7 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | trans | -77.8 | 103.3 | 165.6 | 43.6 | 0 | 0 | 0 | 0 | 109.9 | T162 | T162-S164 VanDerWaalsContact C-N 3.3Å; T162-S164 PolarHBondContact O-N 2.97Å |
| 165 | R | 32 | Very low | 36.7 | Very low | 222 Ų | 222 | 152 Ų | 152 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | | | trans | -106.8 | 142.9 | 163.3 | -86 | -170.5 | 169.9 | -160.2 | -3.1 | 111.4 | D163 T167 | D163-R165 PolarHBondContact O-N 3.35Å; R165-T167 PolarHBondContact O-N 2.75Å |
| 166 | P | 36 | Very low | 36.1 | Very low | 128 Ų | 128 | 153.9 Ų | 153.9 | 83% | 0.831 | 81% | 0.806 | S | S | * | * | | | trans | -80.7 | 123.2 | -167.2 | 31 | -34.6 | 0 | 0 | 0 | 112.1 | | |
| 167 | T | 31.3 | Very low | 35.2 | Very low | 131 Ų | 131 | 159.7 Ų | 159.7 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -100.8 | 108.5 | 153.3 | -61.6 | 0 | 0 | 0 | 0 | 106.9 | R165 | R165-T167 PolarHBondContact O-N 2.75Š|
| 168 | D | 32.4 | Very low | 34.6 | Very low | 141 Ų | 141 | 159.4 Ų | 159.4 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | | | trans | 177 | 120.7 | 151.3 | -92.2 | -22.6 | 0 | 0 | 0 | 108.6 | | |
| 169 | F | 30.9 | Very low | 34.1 | Very low | 200 Ų | 200 | 158.8 Ų | 158.8 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | | | trans | -151.8 | 27.3 | 176.6 | -125.4 | -73.4 | 0 | 0 | 0 | 114.9 | | |
| 170 | W | 30.3 | Very low | 33.7 | Very low | 240 Ų | 240 | 159.5 Ų | 159.5 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | trans | -139.9 | 131.3 | 159.8 | -56.3 | 97.6 | 0 | 0 | 0 | 104.5 | | |
| 171 | I | 34.8 | Very low | 33.1 | Very low | 169 Ų | 169 | 159 Ų | 159 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | | | | -145.6 | 163 | 55.8 | -79.1 | 158.6 | 0 | 0 | 0 | 110 | | |
| 172 | A | 32.4 | Very low | 33 | Very low | 90 Ų | 90 | 158.3 Ų | 158.3 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | | | trans | -67.4 | 151.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 173 | E | 29.2 | Very low | 32.7 | Very low | 182 Ų | 182 | 157 Ų | 157 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | | | trans | -64.6 | 138.9 | 169 | -60.8 | 174.3 | 128.2 | 0 | 0 | 111.9 | | |
| 174 | M | 37.2 | Very low | 33.1 | Very low | 177 Ų | 177 | 158.4 Ų | 158.4 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | | | trans | -145.7 | 103.4 | 159.6 | -85.4 | -69.2 | 100.8 | 0 | 0 | 109.4 | I176 | M174-I176 PolarHBondContact O-N 2.84Š|
| 175 | D | 35.1 | Very low | 33.2 | Very low | 170 Ų | 170 | 162.2 Ų | 162.2 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | | | trans | -66.9 | 118.8 | 177.6 | -96.8 | -39.3 | 0 | 0 | 0 | 112.3 | | |
| 176 | I | 38.1 | Very low | 33.7 | Very low | 169 Ų | 169 | 161.2 Ų | 161.2 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | trans | -131.1 | 146.9 | 164 | -59.5 | -175.5 | 0 | 0 | 0 | 109.8 | M174 | M174-I176 PolarHBondContact O-N 2.84Š|
| 177 | K | 35.3 | Very low | 33.4 | Very low | 202 Ų | 202 | 158.2 Ų | 158.2 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | | | trans | -132.4 | 101.4 | -142.3 | 179 | -179.3 | -178.4 | 172.5 | 0 | 113.8 | | |
| 178 | S | 32.7 | Very low | 33.6 | Very low | 113 Ų | 113 | 159.8 Ų | 159.8 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -143.9 | 130.6 | 163.9 | 48.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 179 | K | 33.1 | Very low | 33.7 | Very low | 196 Ų | 196 | 158.8 Ų | 158.8 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | | | cis | 58.6 | 85.8 | 39.8 | -81.7 | -160.3 | 171.1 | -167.3 | 0 | 114.5 | | |
| 180 | Q | 32.9 | Very low | 34 | Very low | 163 Ų | 163 | 154.3 Ų | 154.3 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | | | | -171.8 | 135.2 | 102.2 | -98.3 | -172.8 | -80.7 | 0 | 0 | 108.9 | | |
| 181 | E | 28.8 | Very low | 34.5 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | | 59.5 | 130.9 | 91 | -70.4 | -172.2 | 134.3 | 0 | 0 | 114.9 | | |
| 182 | S | 30.8 | Very low | 34.8 | Very low | 94 Ų | 94 | 153.5 Ų | 153.5 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | | | cis | -163.3 | 161.1 | -1.4 | 62.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 183 | S | 30 | Very low | 35.3 | Very low | 95 Ų | 95 | 160.5 Ų | 160.5 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | | | trans | 75.1 | 154.7 | 147.1 | 88.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 184 | K | 36.3 | Very low | 35.6 | Very low | 173 Ų | 173 | 160.1 Ų | 160.1 | 75% | 0.752 | 80% | 0.804 | S | S | * | * | | | cis | -163.8 | 115.7 | -18.3 | -113.6 | 168.7 | -164.5 | 161 | 0 | 110.3 | | |
| 185 | K | 37.1 | Very low | 35.8 | Very low | 192 Ų | 192 | 156.1 Ų | 156.1 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | 66.1 | 164.5 | 157.7 | -45.7 | 175.7 | -179.5 | -175.6 | 0 | 114.2 | | |
| 186 | K | 42.3 | Very low | 36.1 | Very low | 201 Ų | 201 | 154 Ų | 154 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | cis | -129.2 | 149 | 6.3 | -57.8 | 164.6 | -173.9 | 171.1 | 0 | 107.6 | | |
| 187 | G | 30 | Very low | 36.6 | Very low | 64 Ų | 64 | 153.4 Ų | 153.4 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | | | | 90.6 | 92.8 | 79.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 188 | L | 36.9 | Very low | 37 | Very low | 165 Ų | 165 | 154.4 Ų | 154.4 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | | 108 | 128.7 | 69.8 | -93 | 168.4 | 0 | 0 | 0 | 110.7 | | |
| 189 | V | 34.2 | Very low | 37.3 | Very low | 119 Ų | 119 | 161.8 Ų | 161.8 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | | | trans | 54.9 | 96.3 | 150.6 | -177.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 190 | S | 36.7 | Very low | 37.6 | Very low | 106 Ų | 106 | 158.2 Ų | 158.2 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | | 73.1 | 144.7 | 73.4 | -56.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 191 | K | 41.4 | Very low | 37.9 | Very low | 196 Ų | 196 | 158.6 Ų | 158.6 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | | | trans | 65.8 | 121.2 | 167 | -75.8 | 179.8 | 175 | 177.6 | 0 | 115 | | |
| 192 | K | 40.1 | Very low | 38.6 | Very low | 197 Ų | 197 | 156 Ų | 156 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | | -153.2 | 167 | 54 | -87.4 | 127.3 | 178.5 | -173.9 | 0 | 113.5 | | |
| 193 | Y | 42.9 | Very low | 39 | Very low | 236 Ų | 236 | 159.4 Ų | 159.4 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | | | trans | -60.5 | 134.6 | 153 | -76.6 | -111.7 | 0 | 0 | 0 | 110.2 | | |
| 194 | Q | 35.8 | Very low | 39.8 | Very low | 174 Ų | 174 | 161.7 Ų | 161.7 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | -148.8 | 134.5 | 143.6 | -166.4 | 158.9 | -19.1 | 0 | 0 | 107.9 | | |
| 195 | A | 42.2 | Very low | 39.9 | Very low | 94 Ų | 94 | 156.7 Ų | 156.7 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | | | trans | -106.5 | 113.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 196 | D | 40.6 | Very low | 40.6 | Very low | 124 Ų | 124 | 156.5 Ų | 156.5 | 66% | 0.663 | 81% | 0.805 | S | S | * | * | | | trans | -130.7 | 118.5 | 159.5 | -75.7 | -65.4 | 0 | 0 | 0 | 105.4 | | |
| 197 | M | 48.3 | Very low | 40.7 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 78% | 0.778 | 80% | 0.799 | S | S | * | * | | | | 57.7 | 70.7 | 71.1 | -72.4 | -76 | -70.8 | 0 | 0 | 112.5 | | |
| 198 | Y | 43.6 | Very low | 41.2 | Very low | 223 Ų | 223 | 154.9 Ų | 154.9 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | | | trans | -163.9 | 106 | 136.3 | -89.3 | -58.7 | 0 | 0 | 0 | 110.6 | T200 | Y198-T200 PolarHBondContact O-N 3.42Š|
| 199 | W | 39.1 | Very low | 41.8 | Very low | 268 Ų | 268 | 151.6 Ų | 151.6 | 100% | 1.015 | 80% | 0.799 | S | S | * | * | | | trans | -85.8 | 101.6 | 166.1 | -83.2 | 92.6 | 0 | 0 | 0 | 109.5 | | |
| 200 | T | 40.7 | Very low | 42.3 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | trans | -82.6 | 114.7 | 171.7 | 14 | 0 | 0 | 0 | 0 | 111.5 | Y198 | Y198-T200 PolarHBondContact O-N 3.42Š|
| 201 | Q | 38.8 | Very low | 42.7 | Very low | 171 Ų | 171 | 156.2 Ų | 156.2 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | | | | 56.7 | 88.6 | 127.9 | -169.4 | 177.8 | 4.1 | 0 | 0 | 117.5 | | |
| 202 | S | 44 | Very low | 42.7 | Very low | 107 Ų | 107 | 150.4 Ų | 150.4 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | | | | -174.2 | 103.7 | 106.4 | -75.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 203 | Q | 39.2 | Very low | 42.6 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | | 50.1 | 117 | 117.4 | -158.2 | 166 | 3.8 | 0 | 0 | 121.3 | | |
| 204 | D | 44.8 | Very low | 42.5 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | | | trans | 45.9 | 128.4 | 143.8 | -43.5 | -19.9 | 0 | 0 | 0 | 121.3 | | |
| 205 | G | 39.8 | Very low | 43.3 | Very low | 68 Ų | 68 | 142.4 Ų | 142.4 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | cis | 157.7 | 149.6 | -11.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 206 | L | 51.3 | Low | 43 | Very low | 187 Ų | 187 | 141 Ų | 141 | 98% | 0.979 | 80% | 0.795 | S | S | * | * | | | trans | 65.3 | 143.3 | 153.6 | -53.8 | 177.8 | 0 | 0 | 0 | 121.2 | | |
| 207 | G | 43.5 | Very low | 43.6 | Very low | 72 Ų | 72 | 141.6 Ų | 141.6 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | trans | 108.8 | 70.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 208 | D | 40.9 | Very low | 42.9 | Very low | 159 Ų | 159 | 138.7 Ų | 138.7 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | | | | 65.4 | 158.4 | 60.1 | -157.4 | 22.6 | 0 | 0 | 0 | 114.7 | | |
| 209 | S | 49 | Very low | 42.5 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 80% | 0.803 | S | S | * | * | | | trans | -102.4 | 158.7 | -136 | -45.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 210 | A | 46.2 | Very low | 42.5 | Very low | 84 Ų | 84 | 125.4 Ų | 125.4 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | | | trans | 79.4 | 159.8 | 141.6 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 211 | Y | 43.7 | Very low | 42.6 | Very low | 238 Ų | 238 | 130.9 Ų | 130.9 | 93% | 0.933 | 80% | 0.795 | S | S | * | * | | | trans | 61.8 | 113.2 | 176.8 | -72.3 | -83.2 | 0 | 0 | 0 | 117.4 | | |
| 212 | G | 41.8 | Very low | 42.8 | Very low | 74 Ų | 74 | 130.9 Ų | 130.9 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | | | trans | -83.2 | 178.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 213 | S | 39.4 | Very low | 42.6 | Very low | 120 Ų | 120 | 133 Ų | 133 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | -150.3 | 136.4 | 163.1 | -78 | 0 | 0 | 0 | 0 | 108.8 | | |
| 214 | H | 41 | Very low | 42.7 | Very low | 188 Ų | 188 | 132.1 Ų | 132.1 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | | | trans | -70.2 | 140 | -179.3 | -59.4 | -95.4 | 0 | 0 | 0 | 110.9 | G216 | H214-G216 PolarHBondContact O-N 3.08Š|
| 215 | P | 50.6 | Low | 42.5 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 86% | 0.857 | 79% | 0.791 | S | S | * | * | | | trans | -72.3 | 97 | 165.2 | 30 | -32.1 | 0 | 0 | 0 | 109.7 | | |
| 216 | G | 36.1 | Very low | 42.5 | Very low | 63 Ų | 63 | 136.8 Ų | 136.8 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | | | trans | -70.4 | 145.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H214 A218 | H214-G216 PolarHBondContact O-N 3.08Å; G216-A218 PolarHBondContact O-N 3.24Å |
| 217 | P | 54.4 | Low | 42 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | | | trans | -81.2 | 120.6 | -169.5 | 30.7 | -34.8 | 0 | 0 | 0 | 113.2 | | |
| 218 | A | 33.8 | Very low | 41.7 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | | | trans | -156 | 130 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | G216 | G216-A218 PolarHBondContact O-N 3.24Š|
| 219 | S | 34 | Very low | 41.3 | Very low | 112 Ų | 112 | 138.3 Ų | 138.3 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | trans | 54.8 | 92.4 | 147.3 | -173.3 | 0 | 0 | 0 | 0 | 120.6 | | |
| 220 | S | 39.1 | Very low | 40.7 | Very low | 101 Ų | 101 | 143.5 Ų | 143.5 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | | 41.9 | 111.7 | 115.9 | -170.7 | 0 | 0 | 0 | 0 | 119.6 | | |
| 221 | R | 43.1 | Very low | 39.9 | Very low | 235 Ų | 235 | 145 Ų | 145 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | | | | -169.1 | 127.4 | 125.4 | -102.4 | 155.4 | -166.4 | -153.5 | 2.3 | 113.8 | | |
| 222 | K | 42.5 | Very low | 39.4 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | | | trans | 19.9 | 116.8 | 144.4 | -172.9 | 177.8 | -178.7 | 177.8 | 0 | 118.3 | | |
| 223 | I | 39.9 | Very low | 39 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | -122.7 | 143.4 | 150.1 | -53.6 | 179 | 0 | 0 | 0 | 107.7 | | |
| 224 | Q | 42.6 | Very low | 38.6 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | | | trans | -144 | 94.3 | -178.6 | 174.7 | -169.2 | -14.3 | 0 | 0 | 107.5 | | |
| 225 | E | 40.1 | Very low | 38 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -145.4 | 109.5 | 174.9 | -95.4 | 148.3 | -155.3 | 0 | 0 | 105.6 | | |
| 226 | L | 38.4 | Very low | 37.4 | Very low | 140 Ų | 140 | 134 Ų | 134 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | | | | 84.4 | 86.6 | 70.7 | -75.3 | 169.1 | 0 | 0 | 0 | 112.8 | | |
| 227 | E | 41.2 | Very low | 37.5 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | | | | 45.9 | 113.2 | 109 | -173.2 | 172.3 | -128.7 | 0 | 0 | 117.8 | | |
| 228 | L | 38.3 | Very low | 36.5 | Very low | 157 Ų | 157 | 133.9 Ų | 133.9 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -151.8 | 109 | 143.1 | -152.2 | 67.2 | 0 | 0 | 0 | 113.2 | | |
| 229 | D | 32.4 | Very low | 36.5 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 69% | 0.69 | 81% | 0.805 | S | S | * | * | | | trans | 32.6 | 124.2 | 151.3 | -61.9 | -44.4 | 0 | 0 | 0 | 122.2 | | |
| 230 | Q | 36.2 | Very low | 36.5 | Very low | 204 Ų | 204 | 139.4 Ų | 139.4 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | | | | -141.8 | 144.5 | 122.9 | -118.8 | 158.1 | 108.3 | 0 | 0 | 111.5 | | |
| 231 | S | 29.1 | Very low | 36.5 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -96.1 | 156.6 | -147 | -159.5 | 0 | 0 | 0 | 0 | 116.1 | | |
| 232 | A | 33.6 | Very low | 36 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | 63.1 | 109.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 233 | G | 32.5 | Very low | 35.5 | Very low | 83 Ų | 83 | 138.2 Ų | 138.2 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | 170 | 64.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 234 | G | 31.8 | Very low | 35.2 | Very low | 87 Ų | 87 | 142 Ų | 142 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | | | trans | -79.7 | 145.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 235 | G | 28.9 | Very low | 35 | Very low | 74 Ų | 74 | 139 Ų | 139 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | | | trans | 178.4 | 61.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 236 | L | 37 | Very low | 34.6 | Very low | 177 Ų | 177 | 139 Ų | 139 | 93% | 0.927 | 80% | 0.804 | S | S | * | * | | | trans | 71.8 | 160.6 | 161 | -58.4 | 176.2 | 0 | 0 | 0 | 118 | | |
| 237 | P | 38.3 | Very low | 34.6 | Very low | 127 Ų | 127 | 137.1 Ų | 137.1 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | | | trans | -110.2 | 159.4 | -157.6 | 40.3 | -32.5 | 0 | 0 | 0 | 115.4 | | |
| 238 | G | 33 | Very low | 34.3 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | | | trans | -175.7 | 80.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 239 | E | 35.3 | Very low | 34.5 | Very low | 199 Ų | 199 | 138.8 Ų | 138.8 | 93% | 0.93 | 81% | 0.811 | S | S | * | * | | | trans | 66 | 143.8 | 156.2 | -54.3 | -169.4 | 154 | 0 | 0 | 120.8 | | |
| 240 | E | 33 | Very low | 34.6 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 59% | 0.589 | 82% | 0.816 | S | S | * | * | | | trans | -105.8 | 123 | -172.3 | 174.6 | -169.2 | 135.1 | 0 | 0 | 110.6 | Q242 | E240-Q242 HydrophobicContact CG-CG 4.16Å; E240-Q242 PolarHBondContact O-N 3.49Å; E240-Q242 WeakPolarHBondContact OE1-CG 3.45Å; E240-Q242 PolarHBondContact OE1-NE2 3.48Å |
| 241 | P | 39.3 | Very low | 34.8 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | -76.5 | 93.2 | 174.4 | -15.4 | 31 | 0 | 0 | 0 | 111.6 | | |
| 242 | Q | 32.8 | Very low | 35 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | | | trans | -73.4 | 136.5 | 176.4 | -73.5 | -170.9 | -11.1 | 0 | 0 | 112.8 | E240 | E240-Q242 HydrophobicContact CG-CG 4.16Å; E240-Q242 PolarHBondContact O-N 3.49Å; E240-Q242 WeakPolarHBondContact OE1-CG 3.45Å; E240-Q242 PolarHBondContact OE1-NE2 3.48Å |
| 243 | W | 32.7 | Very low | 34.9 | Very low | 215 Ų | 215 | 139.4 Ų | 139.4 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | | | trans | -72.9 | 142.8 | -179.7 | -36.3 | -93.4 | 0 | 0 | 0 | 111.6 | | |
| 244 | Y | 33.9 | Very low | 35 | Very low | 232 Ų | 232 | 143.9 Ų | 143.9 | 91% | 0.91 | 81% | 0.813 | S | S | * | * | | | trans | -136.4 | 135.6 | 151.5 | -112.7 | -85.5 | 0 | 0 | 0 | 111.1 | | |
| 245 | A | 36.4 | Very low | 35.1 | Very low | 82 Ų | 82 | 148.4 Ų | 148.4 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | | | trans | -84.9 | 154.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 246 | N | 33.5 | Very low | 35.5 | Very low | 168 Ų | 168 | 154 Ų | 154 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | | | trans | -149.8 | 145.5 | 146.3 | -106.8 | -24 | 0 | 0 | 0 | 110.8 | | |
| 247 | S | 37 | Very low | 35.3 | Very low | 101 Ų | 101 | 155.2 Ų | 155.2 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | | | trans | -104.3 | 151.8 | -179 | -71.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 248 | L | 35.9 | Very low | 35.1 | Very low | 158 Ų | 158 | 155.1 Ų | 155.1 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | | | trans | 53.5 | 97 | 151.1 | -63.5 | 165.5 | 0 | 0 | 0 | 117.4 | | |
| 249 | E | 42.5 | Very low | 35 | Very low | 199 Ų | 199 | 158.3 Ų | 158.3 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | | | trans | -124.6 | 150.4 | 141.5 | -73.7 | -161 | 167.9 | 0 | 0 | 110.5 | | |
| 250 | C | 33.8 | Very low | 35 | Very low | 117 Ų | 117 | 158 Ų | 158 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | | | trans | -105.1 | 157.1 | -164 | -75 | 0 | 0 | 0 | 0 | 114.1 | T252 | C250-T252 PolarHBondContact O-N 2.85Š|
| 251 | I | 40.8 | Very low | 34.8 | Very low | 171 Ų | 171 | 158.2 Ų | 158.2 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | | | trans | -51.4 | 95.5 | 176.5 | -49 | 163.4 | 0 | 0 | 0 | 112.7 | | |
| 252 | T | 33 | Very low | 34.5 | Very low | 129 Ų | 129 | 156.2 Ų | 156.2 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | | | trans | -153.2 | 71.7 | 155.5 | 44.8 | 0 | 0 | 0 | 0 | 111.9 | C250 | C250-T252 PolarHBondContact O-N 2.85Š|
| 253 | T | 31.2 | Very low | 34.8 | Very low | 143 Ų | 143 | 160 Ų | 160 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | | | trans | -112.2 | 83.3 | 165 | 40.6 | 0 | 0 | 0 | 0 | 109.9 | | |
| 254 | E | 35.1 | Very low | 34.8 | Very low | 177 Ų | 177 | 157 Ų | 157 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | | | trans | -67.7 | 148.6 | 176.7 | -82.1 | -153.7 | 166.5 | 0 | 0 | 113.3 | | |
| 255 | F | 33.7 | Very low | 34.9 | Very low | 182 Ų | 182 | 150.4 Ų | 150.4 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | | | trans | 12.9 | 140 | 139.9 | -82.6 | -96.3 | 0 | 0 | 0 | 121 | | |
| 256 | K | 36.7 | Very low | 35.1 | Very low | 192 Ų | 192 | 152.9 Ų | 152.9 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | | | trans | 85.9 | 99.8 | 158.8 | -64.6 | 168.1 | -176.3 | 174.2 | 0 | 118.1 | | |
| 257 | K | 34.1 | Very low | 35.3 | Very low | 203 Ų | 203 | 152.7 Ų | 152.7 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | -51.2 | 134.7 | 136.4 | -51.3 | 165.2 | 179.6 | 177.2 | 0 | 109.7 | | |
| 258 | T | 32.5 | Very low | 35.7 | Very low | 124 Ų | 124 | 153.9 Ų | 153.9 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | | | | -178.8 | 153.4 | 121.5 | 30.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 259 | D | 31.7 | Very low | 36.2 | Very low | 139 Ų | 139 | 154 Ų | 154 | 74% | 0.743 | 82% | 0.818 | S | S | * | * | | | trans | 62.4 | 90.8 | 155.7 | -56.5 | -9 | 0 | 0 | 0 | 121 | | |
| 260 | Q | 34.7 | Very low | 36.3 | Very low | 194 Ų | 194 | 149 Ų | 149 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | | | | 11.3 | 114.4 | 118.6 | -59.6 | 171.4 | 7.9 | 0 | 0 | 117.8 | | |
| 261 | S | 30.3 | Very low | 36.7 | Very low | 129 Ų | 129 | 151.1 Ų | 151.1 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | | -161.5 | 169.7 | 121.8 | -162.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 262 | A | 32.7 | Very low | 36.5 | Very low | 77 Ų | 77 | 148.4 Ų | 148.4 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | | | trans | -94.2 | 148.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 263 | R | 37.8 | Very low | 36.6 | Very low | 229 Ų | 229 | 149.1 Ų | 149.1 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | 40.7 | 113.8 | 148.8 | -60.2 | 176 | -177.6 | -178.2 | -0.5 | 117.8 | | |
| 264 | D | 33.3 | Very low | 36.8 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | | | | -173 | 152.1 | 96.4 | -99 | -19.4 | 0 | 0 | 0 | 115 | | |
| 265 | S | 36.8 | Very low | 37.3 | Very low | 93 Ų | 93 | 148.2 Ų | 148.2 | 65% | 0.65 | 81% | 0.807 | S | S | * | * | | | trans | 31.6 | 120.3 | 142.5 | -57.3 | 0 | 0 | 0 | 0 | 123.6 | | |
| 266 | V | 39.1 | Very low | 37.4 | Very low | 133 Ų | 133 | 142.6 Ų | 142.6 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | | | trans | 66.2 | 144 | 132.9 | -49.6 | 0 | 0 | 0 | 0 | 123.1 | | |
| 267 | E | 39 | Very low | 37.5 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | trans | 61 | 120.5 | 144.8 | -163.6 | 160.9 | -139.7 | 0 | 0 | 119.8 | | |
| 268 | S | 44.4 | Very low | 37.4 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 88% | 0.881 | 80% | 0.803 | S | S | * | * | | | trans | -153.4 | 73.1 | 164.4 | -78 | 0 | 0 | 0 | 0 | 111.6 | | |
| 269 | L | 47.6 | Very low | 37.8 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | -83.8 | 110.9 | 156.8 | -76.5 | 175.1 | 0 | 0 | 0 | 109.2 | | |
| 270 | A | 45 | Very low | 37.8 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | trans | -153.8 | 99.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 271 | L | 41.3 | Very low | 37.9 | Very low | 163 Ų | 163 | 128.9 Ų | 128.9 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -73 | 144.6 | 159.6 | -71.5 | 170.2 | 0 | 0 | 0 | 108.7 | | |
| 272 | S | 36.8 | Very low | 38.2 | Very low | 113 Ų | 113 | 129.6 Ų | 129.6 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | -146.1 | 107.5 | 167.2 | -80 | 0 | 0 | 0 | 0 | 110.4 | | |
| 273 | N | 34.5 | Very low | 38.4 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | | | trans | -81.2 | 141.7 | 176.9 | -55.2 | -51.9 | 0 | 0 | 0 | 109.9 | | |
| 274 | I | 35.2 | Very low | 38.3 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | | | trans | -129.4 | 100.3 | 160.8 | -57.4 | -177.5 | 0 | 0 | 0 | 108.7 | | |
| 275 | T | 45.3 | Very low | 38.3 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | | | trans | -92.7 | 142.2 | 166.1 | -57.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 276 | G | 35.9 | Very low | 38.3 | Very low | 63 Ų | 63 | 139.5 Ų | 139.5 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | | | trans | -81.7 | -157.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 277 | A | 38.6 | Very low | 37.9 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | | | trans | 76.4 | 102.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 278 | S | 32.4 | Very low | 37.7 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | -101.1 | 116 | 165.8 | 172.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 279 | V | 41.2 | Very low | 37.2 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 87% | 0.873 | 81% | 0.811 | S | S | * | * | | | trans | -142.2 | 143.7 | 161.3 | -179.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 280 | C | 31.8 | Very low | 36.2 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | | | trans | -78.4 | 153.7 | -171.6 | -165.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 281 | G | 37.1 | Very low | 35.4 | Very low | 73 Ų | 73 | 142.8 Ų | 142.8 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | -177.3 | 96.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 282 | D | 36.4 | Very low | 35 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 77% | 0.765 | 81% | 0.808 | S | S | * | * | | | trans | -75.2 | 130.3 | 176.9 | -57.9 | -79.7 | 0 | 0 | 0 | 113 | | |
| 283 | Y | 37.5 | Very low | 34.7 | Very low | 223 Ų | 223 | 143.9 Ų | 143.9 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | | | | -170.7 | 146.2 | 124.2 | 49.1 | -109 | 0 | 0 | 0 | 115.9 | | |
| 284 | K | 35.6 | Very low | 34.4 | Very low | 194 Ų | 194 | 141.1 Ų | 141.1 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | | | trans | 0.6 | 117.4 | 155.2 | -57.9 | 163.9 | -173.6 | 172 | 0 | 116.4 | | |
| 285 | A | 33.3 | Very low | 34.1 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | | 91.2 | 143 | 53.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 286 | R | 37 | Very low | 33.5 | Very low | 248 Ų | 248 | 141.1 Ų | 141.1 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | | | trans | 76.7 | 146 | 176.7 | -146.9 | 170.1 | -159.3 | 148.4 | 7.4 | 114.4 | | |
| 287 | S | 30.9 | Very low | 33.2 | Very low | 94 Ų | 94 | 143.6 Ų | 143.6 | 66% | 0.657 | 79% | 0.793 | S | S | * | * | | | cis | 155.4 | 125.6 | -32.3 | 168.3 | 0 | 0 | 0 | 0 | 107.2 | | |
| 288 | Q | 34.8 | Very low | 33.2 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | 161.9 | 157.1 | 156.8 | -93.5 | 154 | 9.1 | 0 | 0 | 108.3 | | |
| 289 | V | 32.8 | Very low | 33.2 | Very low | 131 Ų | 131 | 150.4 Ų | 150.4 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | | | cis | 174.1 | 147.3 | -31.8 | 137.6 | 0 | 0 | 0 | 0 | 104.1 | | |
| 290 | Y | 27.6 | Very low | 33.2 | Very low | 219 Ų | 219 | 147.8 Ų | 147.8 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | -42.9 | 145.4 | 179 | -96.9 | -112.9 | 0 | 0 | 0 | 116.8 | | |
| 291 | S | 27.8 | Very low | 33.4 | Very low | 121 Ų | 121 | 151.1 Ų | 151.1 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | | -158.8 | 171.1 | 123.8 | -159.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 292 | L | 32.3 | Very low | 33.1 | Very low | 134 Ų | 134 | 154.4 Ų | 154.4 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | | | trans | -128.6 | 160.9 | -172.4 | -92.5 | 173.9 | 0 | 0 | 0 | 113.9 | | |
| 293 | Q | 31.4 | Very low | 33.1 | Very low | 165 Ų | 165 | 152.2 Ų | 152.2 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | | | trans | 84.9 | 134.1 | 149.1 | -135.3 | 66 | 19.8 | 0 | 0 | 121.2 | | |
| 294 | A | 28.7 | Very low | 33.1 | Very low | 85 Ų | 85 | 148.6 Ų | 148.6 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | | | trans | 68.8 | 145.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 295 | L | 28.7 | Very low | 33.7 | Very low | 146 Ų | 146 | 147.5 Ų | 147.5 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | cis | -153.3 | 157.9 | -4.9 | -152.5 | 81.9 | 0 | 0 | 0 | 108.8 | | |
| 296 | H | 30.8 | Very low | 34.7 | Very low | 156 Ų | 156 | 149.1 Ų | 149.1 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | trans | 59.5 | 128.6 | 152.9 | -107.6 | -105.3 | 0 | 0 | 0 | 120.4 | | |
| 297 | D | 30.7 | Very low | 34.8 | Very low | 115 Ų | 115 | 143 Ų | 143 | 62% | 0.615 | 77% | 0.765 | S | S | * | * | | | | 161.6 | 159.8 | 105.3 | -95.7 | -17 | 0 | 0 | 0 | 115.3 | | |
| 298 | Y | 38.9 | Very low | 35.6 | Very low | 191 Ų | 191 | 146.1 Ų | 146.1 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | | | trans | 46.8 | 99.6 | 167.8 | -62.1 | -64.8 | 0 | 0 | 0 | 121.1 | | |
| 299 | E | 32.6 | Very low | 36.1 | Very low | 187 Ų | 187 | 145.6 Ų | 145.6 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | | 42.9 | 151.6 | 100.3 | -153.8 | 156.1 | -141.8 | 0 | 0 | 120.6 | | |
| 300 | A | 39.9 | Very low | 36.7 | Very low | 89 Ų | 89 | 142 Ų | 142 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | trans | -81.3 | 152.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 301 | E | 35.8 | Very low | 37.3 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | | | trans | -142.3 | 160.5 | 149 | -99.9 | -56.6 | 169.1 | 0 | 0 | 111.1 | | |
| 302 | D | 32.4 | Very low | 38 | Very low | 141 Ų | 141 | 140.7 Ų | 140.7 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | trans | -75.8 | 165.8 | -166.4 | -153.9 | -11 | 0 | 0 | 0 | 114.4 | | |
| 303 | C | 34.8 | Very low | 38.2 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | | | trans | -143.9 | 73.4 | -179.6 | -100.9 | 0 | 0 | 0 | 0 | 113.9 | K305 | C303-K305 PolarHBondContact O-N 3.11Š|
| 304 | D | 38.1 | Very low | 38.3 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | | | trans | -36 | 123.7 | 164.2 | -89.1 | -56.8 | 0 | 0 | 0 | 114.3 | | |
| 305 | K | 47.6 | Very low | 38.9 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | trans | -144.6 | 86.1 | 155.9 | -96.3 | 106.7 | -158.3 | 162.9 | 0 | 113.3 | C303 | C303-K305 PolarHBondContact O-N 3.11Š|
| 306 | T | 54.5 | Low | 39.2 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | | | trans | 49.9 | 94.3 | 135.7 | 60.1 | 0 | 0 | 0 | 0 | 118 | | |
| 307 | S | 40 | Very low | 39.7 | Very low | 120 Ų | 120 | 142 Ų | 142 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | | | trans | -75.5 | 142.4 | 149.2 | 63 | 0 | 0 | 0 | 0 | 109.9 | | |
| 308 | N | 46.7 | Very low | 40.1 | Very low | 159 Ų | 159 | 144.7 Ų | 144.7 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | | | trans | -112 | 96 | 173.3 | -176.8 | 4.1 | 0 | 0 | 0 | 109.2 | | |
| 309 | M | 46.1 | Very low | 40 | Very low | 170 Ų | 170 | 147.5 Ų | 147.5 | 84% | 0.837 | 80% | 0.804 | S | S | * | * | | | trans | -134.7 | 115.3 | 175.6 | -94.4 | -86.5 | 72.5 | 0 | 0 | 111.9 | | |
| 310 | G | 44.7 | Very low | 40.2 | Very low | 54 Ų | 54 | 144.1 Ų | 144.1 | 56% | 0.557 | 80% | 0.801 | S | S | * | * | | | trans | -160.1 | 154 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 311 | T | 40.8 | Very low | 40.1 | Very low | 138 Ų | 138 | 144.8 Ų | 144.8 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | | | cis | -137.4 | 139.3 | 3.3 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 312 | L | 42.4 | Very low | 40.1 | Very low | 176 Ų | 176 | 143.5 Ų | 143.5 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | | | trans | -117.9 | 138.4 | 159.4 | -75.9 | 179.6 | 0 | 0 | 0 | 108.7 | | |
| 313 | N | 36 | Very low | 40.1 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | | | trans | -90.8 | 127.5 | -166.7 | -167.3 | -3.3 | 0 | 0 | 0 | 110.5 | | |
| 314 | S | 33.2 | Very low | 40.3 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | | | trans | -132.3 | 118.9 | -179.5 | 58.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 315 | S | 41.6 | Very low | 40.2 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | | | trans | -121.2 | 82.4 | 175 | 63.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 316 | M | 34.9 | Very low | 39.5 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | | | trans | 16.4 | 112.1 | 142.6 | -70.7 | -80.4 | -75.8 | 0 | 0 | 117.5 | | |
| 317 | L | 41.4 | Very low | 38.6 | Very low | 149 Ų | 149 | 142.3 Ų | 142.3 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | | | trans | -147.8 | 131.5 | 146.5 | -89.9 | -166.5 | 0 | 0 | 0 | 113.2 | | |
| 318 | H | 39 | Very low | 38.4 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | | | trans | 65.6 | 133.5 | 165.7 | -56.1 | -60.6 | 0 | 0 | 0 | 120.8 | | |
| 319 | R | 36.4 | Very low | 38.2 | Very low | 249 Ų | 249 | 145.7 Ų | 145.7 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | | | trans | -95.5 | 154.5 | 169.4 | -71.2 | 179.7 | 167.4 | -171.8 | -5 | 110.3 | | |
| 320 | S | 37.6 | Very low | 37.8 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -85.9 | 155.3 | 168.4 | 49.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 321 | A | 37.1 | Very low | 37.5 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | | | trans | -153.9 | 152 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 322 | N | 35.9 | Very low | 37.2 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | | | trans | -113.5 | 161.1 | -167.9 | -70.6 | -26.3 | 0 | 0 | 0 | 113.9 | | |
| 323 | S | 32.9 | Very low | 36.9 | Very low | 107 Ų | 107 | 145 Ų | 145 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | 68.5 | 114.1 | 143.3 | -164 | 0 | 0 | 0 | 0 | 121 | | |
| 324 | L | 38.3 | Very low | 36.8 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 80% | 0.801 | 78% | 0.779 | S | S | * | * | | | trans | -138.7 | 116.1 | 139.4 | -71.1 | -179.3 | 0 | 0 | 0 | 105.6 | | |
| 325 | K | 38 | Very low | 37 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | | | | 89.5 | 125.3 | 79.2 | -84 | -163.4 | -177.6 | -174.7 | 0 | 114.8 | | |
| 326 | S | 31.3 | Very low | 36.5 | Very low | 98 Ų | 98 | 145.2 Ų | 145.2 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | trans | 90.2 | 131.5 | 134.9 | -76.3 | 0 | 0 | 0 | 0 | 123 | | |
| 327 | L | 35.6 | Very low | 36.6 | Very low | 129 Ų | 129 | 143 Ų | 143 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | trans | 87.7 | 113.9 | 141.7 | -96.7 | 74.6 | 0 | 0 | 0 | 121.2 | | |
| 328 | E | 36.2 | Very low | 36.8 | Very low | 164 Ų | 164 | 141 Ų | 141 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | trans | 62.2 | 153.6 | 132.8 | -73 | 150.3 | -149.3 | 0 | 0 | 119.2 | | |
| 329 | E | 42.1 | Very low | 36.5 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | cis | -138.9 | -179.6 | 10.9 | -150.9 | 173.5 | 171.6 | 0 | 0 | 110.7 | | |
| 330 | D | 38 | Very low | 36.4 | Very low | 141 Ų | 141 | 137 Ų | 137 | 75% | 0.754 | 77% | 0.768 | S | S | * | * | | | trans | -118.7 | -153.1 | 178.7 | -150.5 | 2.1 | 0 | 0 | 0 | 108.9 | | |
| 331 | V | 38.8 | Very low | 36.1 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 61% | 0.612 | 77% | 0.769 | S | S | * | * | | | cis | -153.8 | 146.5 | 9.6 | -131.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 332 | T | 33.8 | Very low | 36.3 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 69% | 0.693 | 77% | 0.766 | S | S | * | * | | | trans | 63.7 | 159.3 | 153 | 60.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 333 | E | 35.9 | Very low | 36.4 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | | | cis | -166.4 | -175.8 | -19.2 | -108.9 | -176.2 | 168.2 | 0 | 0 | 111 | | |
| 334 | V | 35.6 | Very low | 36.8 | Very low | 126 Ų | 126 | 147 Ų | 147 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | | | trans | 82.8 | 95.4 | 156.2 | -161 | 0 | 0 | 0 | 0 | 120.6 | | |
| 335 | A | 36.2 | Very low | 37.1 | Very low | 86 Ų | 86 | 145.5 Ų | 145.5 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | | 38.6 | 133.3 | 126.8 | 0 | 0 | 0 | 0 | 0 | 125.4 | | |
| 336 | E | 32.3 | Very low | 37.1 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | | | trans | 67.4 | 107.6 | 137.6 | -67.9 | -165.5 | 149.5 | 0 | 0 | 124.3 | | |
| 337 | V | 36.4 | Very low | 37.8 | Very low | 131 Ų | 131 | 146.7 Ų | 146.7 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | | 58.3 | 143.1 | 110.8 | 172.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 338 | P | 44.8 | Very low | 38.1 | Very low | 107 Ų | 107 | 146.1 Ų | 146.1 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | cis | -133.9 | 171.8 | 15.1 | 26.8 | -2.1 | 0 | 0 | 0 | 118.7 | | |
| 339 | L | 33.7 | Very low | 38 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | | | trans | 27 | 123.4 | 146.2 | -72 | 154.7 | 0 | 0 | 0 | 121.7 | | |
| 340 | Q | 33.2 | Very low | 37.8 | Very low | 175 Ų | 175 | 142.7 Ų | 142.7 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | | -168.2 | 155 | 101.3 | -107.3 | -175.4 | 33.2 | 0 | 0 | 115.8 | | |
| 341 | E | 32.3 | Very low | 38.1 | Very low | 183 Ų | 183 | 147.5 Ų | 147.5 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | | | trans | 55.1 | 158.8 | 159.4 | -61.2 | -149.2 | 123.8 | 0 | 0 | 123.4 | | |
| 342 | R | 39.9 | Very low | 38 | Very low | 207 Ų | 207 | 154.6 Ų | 154.6 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | | | trans | -131.9 | 148.8 | -178.2 | -121.7 | -171.5 | -178.9 | 175.6 | 4.5 | 108.9 | | |
| 343 | P | 38 | Very low | 38.1 | Very low | 128 Ų | 128 | 154.1 Ų | 154.1 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | | | | -138.9 | 168.7 | 119.9 | 26.1 | -8.3 | 0 | 0 | 0 | 114.5 | | |
| 344 | K | 42.9 | Very low | 38.2 | Very low | 176 Ų | 176 | 157.9 Ų | 157.9 | 77% | 0.765 | 82% | 0.819 | S | S | * | * | | | trans | -107.3 | 149.9 | 169.7 | -64.1 | 177.5 | 178.2 | 178.1 | 0 | 110.3 | | |
| 345 | P | 44 | Very low | 38.5 | Very low | 121 Ų | 121 | 157.7 Ų | 157.7 | 79% | 0.786 | 82% | 0.823 | S | S | * | * | | | trans | -124.8 | 129.7 | 135 | 32.7 | -22.1 | 0 | 0 | 0 | 109.8 | | |
| 346 | H | 37.4 | Very low | 38.8 | Very low | 171 Ų | 171 | 163 Ų | 163 | 79% | 0.792 | 83% | 0.833 | S | S | * | * | | | | 76.3 | 121 | 57.8 | -164 | -68.7 | 0 | 0 | 0 | 113.7 | | |
| 347 | V | 47.2 | Very low | 39.2 | Very low | 126 Ų | 126 | 160.4 Ų | 160.4 | 76% | 0.764 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -102 | 132.5 | -174.1 | -163.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 348 | P | 41.3 | Very low | 39.3 | Very low | 117 Ų | 117 | 165.3 Ų | 165.3 | 76% | 0.76 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 136.6 | 171.2 | -6.6 | 25.8 | 0 | 0 | 0 | 112.7 | | |
| 349 | A | 33.6 | Very low | 39.2 | Very low | 97 Ų | 97 | 166.2 Ų | 166.2 | 80% | 0.802 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 151.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 350 | L | 38.2 | Very low | 39.5 | Very low | 181 Ų | 181 | 167.1 Ų | 167.1 | 95% | 0.948 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 128.5 | 177.9 | -79.9 | 162.7 | 0 | 0 | 0 | 112.5 | | |
| 351 | R | 43.5 | Very low | 40 | Very low | 242 Ų | 242 | 167.7 Ų | 167.7 | 91% | 0.913 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 135.9 | 170.9 | -67.6 | 179.1 | 175.7 | 153.8 | -1.6 | 110.6 | | |
| 352 | R | 38.5 | Very low | 40.3 | Very low | 250 Ų | 250 | 164.7 Ų | 164.7 | 94% | 0.943 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 133.2 | 168.1 | -64.6 | -177.1 | -178.3 | 122.3 | -1.2 | 110 | | |
| 353 | A | 35.5 | Very low | 40.6 | Very low | 103 Ų | 103 | 164 Ų | 164 | 85% | 0.851 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 145.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 354 | R | 38.3 | Very low | 40.5 | Very low | 249 Ų | 249 | 167 Ų | 167 | 94% | 0.94 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 129.5 | 166.3 | -70.2 | 179.8 | 172.5 | -174.1 | -3.4 | 109.1 | | |
| 355 | S | 40.3 | Very low | 40.5 | Very low | 121 Ų | 121 | 163.9 Ų | 163.9 | 85% | 0.846 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 139.2 | 160.7 | 44.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 356 | Q | 44.1 | Very low | 40.7 | Very low | 199 Ų | 199 | 164.7 Ų | 164.7 | 93% | 0.93 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 140.7 | 169.6 | -65.7 | -175.3 | 0.5 | 0 | 0 | 109.4 | | |
| 357 | S | 39.2 | Very low | 41.2 | Very low | 121 Ų | 121 | 163.9 Ų | 163.9 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | | | trans | -131 | 147.4 | 159.1 | 57.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 358 | R | 40 | Very low | 41.1 | Very low | 235 Ų | 235 | 163.6 Ų | 163.6 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -101 | 131 | -166.7 | -172.7 | -178 | -174 | -173.3 | 2.8 | 109 | Q360 | R358-Q360 PolarHBondContact O-N 2.83Š|
| 359 | P | 42 | Very low | 41.4 | Very low | 125 Ų | 125 | 164 Ų | 164 | 81% | 0.812 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 121.9 | 177 | 27.3 | -33.2 | 0 | 0 | 0 | 109.5 | | |
| 360 | Q | 39.4 | Very low | 41.5 | Very low | 182 Ų | 182 | 166.8 Ų | 166.8 | 85% | 0.85 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 129.1 | 172.7 | -171.1 | 165.3 | -7.7 | 0 | 0 | 108.6 | R358 V362 | R358-Q360 PolarHBondContact O-N 2.83Å; Q360-V362 PolarHBondContact O-N 3.25Å |
| 361 | Q | 43.6 | Very low | 41.7 | Very low | 188 Ų | 188 | 165.6 Ų | 165.6 | 88% | 0.879 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 118.6 | -172.9 | -64.5 | 166.4 | -61.4 | 0 | 0 | 110.8 | | |
| 362 | V | 39.6 | Very low | 41.4 | Very low | 120 Ų | 120 | 157.4 Ų | 157.4 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | | | trans | -80.3 | 114.6 | 157.8 | 178.6 | 0 | 0 | 0 | 0 | 106.6 | Q360 F364 | Q360-V362 PolarHBondContact O-N 3.25Å; V362-F364 PolarHBondContact O-N 2.98Å |
| 363 | K | 45.7 | Very low | 41.8 | Very low | 193 Ų | 193 | 154.5 Ų | 154.5 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | | | trans | -73.3 | 122.6 | 167.7 | -72.8 | -174.2 | 174.1 | -172.1 | 0 | 108.2 | | |
| 364 | F | 36.9 | Very low | 42 | Very low | 191 Ų | 191 | 161 Ų | 161 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | | | trans | -75.4 | 132.9 | 154.9 | -66.7 | -91.2 | 0 | 0 | 0 | 107.4 | V362 D366 | V362-F364 PolarHBondContact O-N 2.98Å; F364-D366 PolarHBondContact O-N 3.46Å |
| 365 | S | 41.3 | Very low | 41.9 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | | | trans | -78 | 113 | 158.7 | -62.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 366 | D | 49.3 | Very low | 42.3 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 73% | 0.733 | 82% | 0.818 | S | S | * | * | | | trans | -82.3 | 121.8 | 155.7 | 179.5 | 27.9 | 0 | 0 | 0 | 106.6 | F364 | F364-D366 PolarHBondContact O-N 3.46Š|
| 367 | D | 47.3 | Very low | 42.7 | Very low | 154 Ų | 154 | 148.5 Ų | 148.5 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | | | trans | -154.2 | 90.4 | 171.9 | -91 | -48.8 | 0 | 0 | 0 | 107.5 | | |
| 368 | V | 45.2 | Very low | 43.2 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | | | trans | -79.1 | 128.5 | 176 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 369 | V | 47.9 | Very low | 43.6 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 76% | 0.758 | 81% | 0.812 | S | S | * | * | | | trans | 24.1 | 114.7 | 154 | -174.6 | 0 | 0 | 0 | 0 | 117.7 | | |
| 370 | D | 36.2 | Very low | 43.7 | Very low | 156 Ų | 156 | 151.1 Ų | 151.1 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | | | trans | -141.8 | 147.2 | 136.9 | -163.6 | 11.4 | 0 | 0 | 0 | 111.5 | | |
| 371 | N | 41 | Very low | 44.2 | Very low | 157 Ų | 157 | 150.4 Ų | 150.4 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | | | trans | -103.7 | 81.5 | -175.6 | -100.4 | -16.4 | 0 | 0 | 0 | 110.6 | | |
| 372 | G | 38.5 | Very low | 44.4 | Very low | 70 Ų | 70 | 146.4 Ų | 146.4 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | trans | -106.4 | 112.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 373 | H | 46.7 | Very low | 44.9 | Very low | 188 Ų | 188 | 147 Ų | 147 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | | | trans | -62.4 | 133.5 | 165.5 | -94.7 | 51.2 | 0 | 0 | 0 | 111.3 | | |
| 374 | Y | 39.6 | Very low | 45 | Very low | 240 Ų | 240 | 146.1 Ų | 146.1 | 94% | 0.941 | 81% | 0.81 | S | S | * | * | | | trans | -166.6 | 138.3 | 140.6 | -115 | -70.8 | 0 | 0 | 0 | 114.4 | | |
| 375 | G | 36.6 | Very low | 45.4 | Very low | 70 Ų | 70 | 142.7 Ų | 142.7 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | | | trans | 56.2 | 104.7 | 144.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 376 | G | 47.4 | Very low | 45.9 | Very low | 80 Ų | 80 | 146.5 Ų | 146.5 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | | | trans | -76.1 | 145.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 377 | L | 53.3 | Low | 45.7 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | | | trans | -136.8 | 150 | 161.4 | -74.4 | 178.3 | 0 | 0 | 0 | 109.1 | L379 | L377-L379 PolarHBondContact O-N 2.84Å; L377-L379 VanDerWaalsContact O-N 3.17Å |
| 378 | P | 49.1 | Very low | 45.4 | Very low | 127 Ų | 127 | 149.1 Ų | 149.1 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | | | trans | -73.8 | 109 | -171.5 | 28.4 | -34.6 | 0 | 0 | 0 | 112.4 | | |
| 379 | L | 49.1 | Very low | 45.1 | Very low | 170 Ų | 170 | 155.1 Ų | 155.1 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 130.6 | 172.3 | -115.6 | 76.2 | 0 | 0 | 0 | 111.5 | L377 Q381 | L377-L379 PolarHBondContact O-N 2.84Å; L377-L379 VanDerWaalsContact O-N 3.17Å; L379-Q381 PolarHBondContact O-N 2.87Å |
| 380 | R | 44.2 | Very low | 44.9 | Very low | 239 Ų | 239 | 160.6 Ų | 160.6 | 90% | 0.902 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 118 | -178.9 | 177.4 | 178.7 | -179.4 | 157 | -1.3 | 111.2 | | |
| 381 | Q | 50.9 | Low | 45.4 | Very low | 166 Ų | 166 | 165 Ų | 165 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -63 | 144 | 174.4 | -72 | -175.4 | -10.8 | 0 | 0 | 112.4 | L379 | L379-Q381 PolarHBondContact O-N 2.87Š|
| 382 | P | 45.8 | Very low | 45.3 | Very low | 105 Ų | 105 | 164.2 Ų | 164.2 | 68% | 0.682 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 154.3 | 168.7 | 31.8 | -34.7 | 0 | 0 | 0 | 111.4 | M384 | P382-M384 PolarHBondContact O-N 3.48Š|
| 383 | P | 51.2 | Low | 45.1 | Very low | 132 Ų | 132 | 170 Ų | 170 | 86% | 0.857 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 117.9 | -174.8 | 29.2 | -34.4 | 0 | 0 | 0 | 112.4 | | |
| 384 | M | 47.5 | Very low | 44.4 | Very low | 174 Ų | 174 | 168.7 Ų | 168.7 | 86% | 0.857 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 143.9 | 169.5 | -64.8 | -164.7 | -68.3 | 0 | 0 | 111.4 | P382 | P382-M384 PolarHBondContact O-N 3.48Š|
| 385 | S | 46.5 | Very low | 44 | Very low | 120 Ų | 120 | 165.7 Ų | 165.7 | 84% | 0.839 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 132.2 | -176.1 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | R387 | S385-R387 PolarHBondContact O-N 3.11Š|
| 386 | E | 51.6 | Low | 44.1 | Very low | 190 Ų | 190 | 169.8 Ų | 169.8 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | | | trans | -82.8 | 95.8 | -175.3 | -172.5 | 173.6 | -148.9 | 0 | 0 | 112 | | |
| 387 | R | 44.3 | Very low | 43.4 | Very low | 227 Ų | 227 | 173.4 Ų | 173.4 | 86% | 0.857 | 84% | 0.838 | S | S | * | * | | | trans | -149 | 113.7 | 163.7 | -134.5 | 173.2 | -177.1 | 89.1 | -3.8 | 113.3 | S385 | S385-R387 PolarHBondContact O-N 3.11Š|
| 388 | T | 40.6 | Very low | 42.5 | Very low | 119 Ų | 119 | 174.7 Ų | 174.7 | 73% | 0.73 | 84% | 0.84 | S | S | * | * | | | trans | 74.3 | 64 | 166.6 | -31.7 | 0 | 0 | 0 | 0 | 117 | R390 | T388-R390 PolarHBondContact O-N 3.01Š|
| 389 | R | 38.8 | Very low | 41.7 | Very low | 245 Ų | 245 | 172 Ų | 172 | 93% | 0.925 | 84% | 0.835 | S | S | * | * | | | trans | -64.4 | 129.4 | 157.3 | -71.9 | -177.7 | 173.8 | -171.4 | -2.7 | 110.3 | | |
| 390 | R | 45 | Very low | 41.1 | Very low | 241 Ų | 241 | 172.2 Ų | 172.2 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | | | trans | -116.2 | 159.6 | 154.6 | -79.1 | -173.9 | 170.3 | 178.7 | -2.2 | 108.8 | T388 | T388-R390 PolarHBondContact O-N 3.01Š|
| 391 | R | 46.8 | Very low | 40.4 | Very low | 247 Ų | 247 | 168.2 Ų | 168.2 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 152.7 | -156.9 | -82.9 | 175.3 | -86 | -170.9 | -5.7 | 114 | | |
| 392 | V | 37.6 | Very low | 39.6 | Very low | 141 Ų | 141 | 166.8 Ų | 166.8 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 152.7 | 167.8 | -177.6 | 0 | 0 | 0 | 0 | 110 | | |
| 393 | Y | 34.6 | Very low | 39.2 | Very low | 193 Ų | 193 | 170.4 Ų | 170.4 | 76% | 0.757 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 151 | 172.2 | -99.7 | -97.8 | 0 | 0 | 0 | 112.3 | | |
| 394 | N | 31.4 | Very low | 38.4 | Very low | 160 Ų | 160 | 170.4 Ų | 170.4 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | | | trans | -132 | 144.7 | 147.1 | -89.9 | 8.2 | 0 | 0 | 0 | 107.2 | | |
| 395 | F | 32.4 | Very low | 37.7 | Very low | 177 Ų | 177 | 164.8 Ų | 164.8 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | | | trans | -113.2 | -171.9 | 165.5 | -129.8 | -100.9 | 0 | 0 | 0 | 108.7 | | |
| 396 | D | 37.8 | Very low | 37 | Very low | 156 Ų | 156 | 169.4 Ų | 169.4 | 83% | 0.834 | 82% | 0.821 | S | S | * | * | | | trans | 74.6 | 142.1 | -174.3 | -47.5 | -32.1 | 0 | 0 | 0 | 114 | | |
| 397 | D | 33.2 | Very low | 36.3 | Very low | 155 Ų | 155 | 167.7 Ų | 167.7 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | | | cis | -141.7 | 160.4 | 19.6 | -177.1 | 6.2 | 0 | 0 | 0 | 111.1 | | |
| 398 | Q | 34.7 | Very low | 35.9 | Very low | 185 Ų | 185 | 160.9 Ų | 160.9 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -138.4 | 79.1 | 177.5 | 179.2 | 143.4 | 93.4 | 0 | 0 | 112.7 | | |
| 399 | G | 32.8 | Very low | 35.9 | Very low | 69 Ų | 69 | 163.9 Ų | 163.9 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | | | trans | -103.3 | 114.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 400 | H | 35.3 | Very low | 35.9 | Very low | 175 Ų | 175 | 160 Ų | 160 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -40.2 | 141.2 | 176.5 | -50.8 | -99.9 | 0 | 0 | 0 | 118.1 | | |
| 401 | N | 30.3 | Very low | 35.7 | Very low | 156 Ų | 156 | 157.9 Ų | 157.9 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | | | | -168.9 | -178.3 | 117.2 | -112.8 | -71.3 | 0 | 0 | 0 | 116.8 | | |
| 402 | L | 34.4 | Very low | 35.4 | Very low | 136 Ų | 136 | 156.8 Ų | 156.8 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | | | trans | -101.3 | 149.9 | -155.5 | -72.1 | 156.1 | 0 | 0 | 0 | 117.4 | | |
| 403 | Q | 36.3 | Very low | 35.3 | Very low | 181 Ų | 181 | 160.8 Ų | 160.8 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | 51.2 | 88.1 | 140.2 | -63 | 177 | 6.7 | 0 | 0 | 121.5 | | |
| 404 | S | 35.4 | Very low | 35.7 | Very low | 131 Ų | 131 | 163.7 Ų | 163.7 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | | | trans | -171.5 | 156.2 | 141.1 | -158.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 405 | G | 31.9 | Very low | 36.5 | Very low | 57 Ų | 57 | 168.3 Ų | 168.3 | 59% | 0.588 | 81% | 0.808 | S | S | * | * | | | cis | 163.7 | 93.2 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 406 | R | 32.9 | Very low | 36.7 | Very low | 217 Ų | 217 | 164.6 Ų | 164.6 | 82% | 0.819 | 80% | 0.804 | S | S | * | * | | | trans | 78.6 | 160.3 | 166.7 | -48.4 | 165.3 | 159.2 | -118.4 | 0.3 | 119 | | |
| 407 | H | 36.4 | Very low | 37.2 | Very low | 154 Ų | 154 | 168.3 Ų | 168.3 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | | | trans | 57.7 | 101.2 | 163.7 | -51.5 | -58.2 | 0 | 0 | 0 | 117.7 | | |
| 408 | S | 35.2 | Very low | 37.5 | Very low | 84 Ų | 84 | 170.2 Ų | 170.2 | 59% | 0.587 | 81% | 0.807 | S | S | * | * | | | | 76 | 111.3 | 68.3 | 173.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 409 | H | 40.1 | Very low | 37.6 | Very low | 181 Ų | 181 | 167.1 Ų | 167.1 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | | | trans | -157.7 | 161.8 | 136.9 | -92.8 | -56.3 | 0 | 0 | 0 | 111.5 | | |
| 410 | H | 39.3 | Very low | 38 | Very low | 165 Ų | 165 | 174.5 Ų | 174.5 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | | | trans | -105.3 | 130.6 | -168.2 | -52.8 | -71.7 | 0 | 0 | 0 | 113.8 | | |
| 411 | H | 40.8 | Very low | 38.8 | Very low | 195 Ų | 195 | 172 Ų | 172 | 90% | 0.903 | 82% | 0.815 | S | S | * | * | | | trans | -125.5 | 91.4 | 160.9 | -70.2 | -58.8 | 0 | 0 | 0 | 112.1 | | |
| 412 | R | 40.4 | Very low | 39.7 | Very low | 225 Ų | 225 | 171.6 Ų | 171.6 | 85% | 0.849 | 81% | 0.812 | S | S | * | * | | | trans | -94.9 | 134.9 | 171.4 | -110.7 | -178.3 | 175.4 | -177.3 | 0.2 | 110.1 | | |
| 413 | R | 36.6 | Very low | 40.2 | Very low | 225 Ų | 225 | 172.5 Ų | 172.5 | 85% | 0.849 | 82% | 0.818 | S | S | * | * | | | trans | 68.2 | 126 | 165.9 | -51 | 169.8 | -179.2 | -97.4 | 3.4 | 117 | | |
| 414 | R | 42.5 | Very low | 40.3 | Very low | 253 Ų | 253 | 168.3 Ų | 168.3 | 96% | 0.955 | 81% | 0.814 | S | S | * | * | | | | -138.4 | 121.9 | 99.1 | -70 | -158.7 | 177.4 | -128.6 | -2.7 | 110.6 | | |
| 415 | R | 47.3 | Very low | 40.8 | Very low | 257 Ų | 257 | 169.2 Ų | 169.2 | 97% | 0.97 | 81% | 0.808 | S | S | * | * | | | trans | -104.4 | 134.2 | 157.8 | -93.9 | -176.6 | 169.4 | 177.3 | -5.4 | 106.5 | | |
| 416 | S | 36.3 | Very low | 41.3 | Very low | 99 Ų | 99 | 173.5 Ų | 173.5 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | | | trans | -149.6 | 133.5 | -175.3 | 172.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 417 | R | 49.9 | Very low | 41.9 | Very low | 234 Ų | 234 | 171.5 Ų | 171.5 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | | | cis | -132 | 160.5 | -10.8 | -97.3 | 152.3 | 177.1 | 168.9 | -2.6 | 107.1 | | |
| 418 | K | 38.7 | Very low | 42 | Very low | 196 Ų | 196 | 172.2 Ų | 172.2 | 85% | 0.852 | 83% | 0.83 | S | S | * | * | | | trans | -96 | 135.8 | 168.3 | -95.5 | 130.1 | 171 | -168.2 | 0 | 109.5 | | |
| 419 | S | 36.3 | Very low | 42.4 | Very low | 120 Ų | 120 | 174.2 Ų | 174.2 | 84% | 0.839 | 84% | 0.842 | S | S | * | * | | | trans | -67.5 | 150.9 | 151.2 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | | |
| 420 | R | 42.6 | Very low | 42.4 | Very low | 223 Ų | 223 | 175.3 Ų | 175.3 | 84% | 0.842 | 84% | 0.844 | S | S | * | * | | | trans | -134 | 110.9 | 170.5 | -84 | -170.9 | 166.5 | -162.8 | -5.2 | 108.6 | | |
| 421 | S | 51 | Low | 42.4 | Very low | 123 Ų | 123 | 176.4 Ų | 176.4 | 86% | 0.86 | 85% | 0.849 | S | S | * | * | | | trans | -82.3 | 154.3 | 140.2 | 45.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 422 | D | 49.3 | Very low | 42.1 | Very low | 147 Ų | 147 | 178.9 Ų | 178.9 | 79% | 0.786 | 85% | 0.851 | S | S | * | * | | | trans | -118.5 | 112.3 | -166.2 | -157.1 | 5.1 | 0 | 0 | 0 | 110.9 | | |
| 423 | N | 44.2 | Very low | 41.8 | Very low | 156 Ų | 156 | 172.6 Ų | 172.6 | 83% | 0.834 | 85% | 0.847 | S | S | * | * | | | trans | -162.2 | 105.5 | 168.6 | -162.3 | -9 | 0 | 0 | 0 | 110.4 | | |
| 424 | A | 40 | Very low | 42.2 | Very low | 92 Ų | 92 | 167.9 Ų | 167.9 | 76% | 0.76 | 85% | 0.845 | S | S | * | * | | | trans | -159.4 | 85.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 425 | L | 45.8 | Very low | 41.7 | Very low | 150 Ų | 150 | 162.8 Ų | 162.8 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | | | trans | -104.8 | 138.7 | 162.8 | -73.9 | 178.6 | 0 | 0 | 0 | 110.5 | | |
| 426 | N | 42.3 | Very low | 40.9 | Very low | 148 Ų | 148 | 156.4 Ų | 156.4 | 79% | 0.791 | 84% | 0.835 | S | S | * | * | | | trans | 62.1 | 107.8 | 168.6 | -53.6 | -39.9 | 0 | 0 | 0 | 117.3 | | |
| 427 | L | 45 | Very low | 40.8 | Very low | 174 Ų | 174 | 162.2 Ų | 162.2 | 91% | 0.911 | 84% | 0.843 | S | S | * | * | | | | -163.8 | 143.7 | 111.7 | -99.2 | 177.2 | 0 | 0 | 0 | 110.2 | | |
| 428 | L | 37.8 | Very low | 40 | Very low | 169 Ų | 169 | 160.1 Ų | 160.1 | 89% | 0.885 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 130.5 | -175.9 | -75.2 | 163.3 | 0 | 0 | 0 | 111.8 | K430 | L428-K430 PolarHBondContact O-N 3.17Š|
| 429 | P | 43.8 | Very low | 39.6 | Very low | 127 Ų | 127 | 159.2 Ų | 159.2 | 83% | 0.825 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 117.7 | 169.8 | -9.6 | 26.4 | 0 | 0 | 0 | 110.8 | | |
| 430 | K | 40.9 | Very low | 39.5 | Very low | 204 Ų | 204 | 161.3 Ų | 161.3 | 89% | 0.887 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 157.2 | 169.7 | -165 | 168.9 | -179.7 | 178.6 | 0 | 111.1 | L428 | L428-K430 PolarHBondContact O-N 3.17Š|
| 431 | E | 38.1 | Very low | 39.3 | Very low | 187 Ų | 187 | 159.8 Ų | 159.8 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 168.7 | -165.3 | -67.6 | -179.9 | 94.9 | 0 | 0 | 116.8 | | |
| 432 | R | 35.4 | Very low | 38.5 | Very low | 248 Ų | 248 | 165.9 Ų | 165.9 | 94% | 0.936 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 149 | -177.8 | -60.8 | 173.8 | 171.1 | 109.3 | -4.7 | 112.5 | | |
| 433 | A | 33.4 | Very low | 37.4 | Very low | 93 Ų | 93 | 162.1 Ų | 162.1 | 77% | 0.769 | 84% | 0.84 | S | S | * | * | | | trans | -108.8 | 136.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 434 | P | 44.6 | Very low | 36.8 | Very low | 125 Ų | 125 | 160.2 Ų | 160.2 | 81% | 0.812 | 84% | 0.839 | S | S | * | * | | | trans | -86 | 155 | 174.2 | 34.3 | -33.7 | 0 | 0 | 0 | 112.5 | | |
| 435 | V | 33.7 | Very low | 36.6 | Very low | 147 Ų | 147 | 161.4 Ų | 161.4 | 89% | 0.891 | 84% | 0.842 | S | S | * | * | | | trans | -79 | 138.4 | 174.3 | 179 | 0 | 0 | 0 | 0 | 110.2 | | |
| 436 | C | 30.5 | Very low | 36.2 | Very low | 122 Ų | 122 | 162.6 Ų | 162.6 | 82% | 0.824 | 85% | 0.848 | S | S | * | * | | | trans | -115.5 | 145.3 | 174.5 | -165.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 437 | Y | 33.8 | Very low | 35.6 | Very low | 221 Ų | 221 | 158.3 Ų | 158.3 | 87% | 0.867 | 84% | 0.839 | S | S | * | * | | | trans | -78.8 | 154.7 | -179.9 | -104.9 | -107.2 | 0 | 0 | 0 | 112.5 | | |
| 438 | K | 32.9 | Very low | 35.7 | Very low | 191 Ų | 191 | 155.7 Ų | 155.7 | 83% | 0.83 | 83% | 0.832 | S | S | * | * | | | trans | -76.9 | 133.4 | 168.7 | -72.7 | -172.4 | 177.7 | -176.8 | 0 | 110.9 | | |
| 439 | M | 31.1 | Very low | 35.6 | Very low | 177 Ų | 177 | 157.3 Ų | 157.3 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | | | trans | -147 | 130 | 159.5 | -161.6 | 69.6 | 141.1 | 0 | 0 | 108.1 | | |
| 440 | H | 34 | Very low | 35 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | | | trans | -93.5 | 146.5 | 174.2 | -77.3 | -97.3 | 0 | 0 | 0 | 110.2 | | |
| 441 | H | 37.1 | Very low | 34.8 | Very low | 192 Ų | 192 | 152.8 Ų | 152.8 | 89% | 0.889 | 82% | 0.821 | S | S | * | * | | | trans | -161.6 | 179 | 142.3 | -90.5 | -47 | 0 | 0 | 0 | 111.4 | | |
| 442 | R | 33.9 | Very low | 34.5 | Very low | 250 Ų | 250 | 152.7 Ų | 152.7 | 94% | 0.943 | 82% | 0.82 | S | S | * | * | | | trans | -108.7 | 163.2 | -160.7 | -67.8 | 172.8 | 165.6 | -117.7 | 5.6 | 114.6 | | |
| 443 | G | 27.8 | Very low | 34.3 | Very low | 68 Ų | 68 | 146.1 Ų | 146.1 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | | | trans | 123.8 | 121.6 | 156.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 444 | S | 31.4 | Very low | 34.4 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | cis | 95.7 | 140.7 | 36.7 | -65.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 445 | S | 35.3 | Very low | 33.8 | Very low | 116 Ų | 116 | 154.7 Ų | 154.7 | 81% | 0.811 | 82% | 0.818 | S | S | * | * | | | trans | 75.6 | 150 | -171 | 82.4 | 0 | 0 | 0 | 0 | 114.9 | | |
| 446 | L | 37.5 | Very low | 33.6 | Very low | 175 Ų | 175 | 151.4 Ų | 151.4 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | cis | -154 | -175.7 | -14.2 | -121.5 | 173.3 | 0 | 0 | 0 | 111.3 | | |
| 447 | G | 30.1 | Very low | 33.6 | Very low | 58 Ų | 58 | 154.2 Ų | 154.2 | 60% | 0.598 | 81% | 0.814 | S | S | * | * | | | trans | -105.5 | -151.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 448 | P | 46.3 | Very low | 33.3 | Very low | 120 Ų | 120 | 152 Ų | 152 | 78% | 0.779 | 82% | 0.816 | S | S | * | * | | | cis | -147.9 | 164.2 | 23.8 | 42.9 | -22.9 | 0 | 0 | 0 | 120.3 | | |
| 449 | K | 36.1 | Very low | 33.4 | Very low | 202 Ų | 202 | 150 Ų | 150 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | | | trans | 41.8 | 131.4 | 140.5 | -66.2 | -177.6 | 176.4 | -179.1 | 0 | 124.8 | | |
| 450 | G | 31.1 | Very low | 33.7 | Very low | 67 Ų | 67 | 147.3 Ų | 147.3 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | | | trans | -168.9 | 105.1 | 139.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 451 | H | 35.8 | Very low | 33.5 | Very low | 170 Ų | 170 | 143.8 Ų | 143.8 | 79% | 0.787 | 81% | 0.809 | S | S | * | * | | | | 53.2 | 98.7 | 105.7 | -68.5 | 22 | 0 | 0 | 0 | 113.2 | | |
| 452 | Q | 33.1 | Very low | 33.5 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | | | | 54.8 | 132.8 | 84.9 | -65.3 | -165.2 | 11.2 | 0 | 0 | 113 | | |
| 453 | V | 31.1 | Very low | 33.4 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 67% | 0.667 | 80% | 0.804 | S | S | * | * | | | cis | -147.4 | 145.3 | 35.9 | 167.3 | 0 | 0 | 0 | 0 | 111.8 | | |
| 454 | F | 34.7 | Very low | 33.6 | Very low | 214 Ų | 214 | 136.6 Ų | 136.6 | 94% | 0.939 | 80% | 0.798 | S | S | * | * | | | trans | -169 | 140.2 | 132 | -100.4 | -66.3 | 0 | 0 | 0 | 109.6 | | |
| 455 | H | 33.3 | Very low | 33.7 | Very low | 185 Ų | 185 | 137.5 Ų | 137.5 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | -96.8 | 135.4 | -170.3 | -109.2 | -87 | 0 | 0 | 0 | 112.8 | | |
| 456 | G | 28.2 | Very low | 33.8 | Very low | 77 Ų | 77 | 142.9 Ų | 142.9 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | 179.1 | 69.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 457 | H | 32 | Very low | 33.4 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | trans | -100.5 | 124.9 | 174.8 | -89.7 | -76.5 | 0 | 0 | 0 | 111.6 | | |
| 458 | L | 27.6 | Very low | 33.6 | Very low | 176 Ų | 176 | 149.5 Ų | 149.5 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | | | trans | -157 | 161.9 | 135.1 | -109.1 | 168.9 | 0 | 0 | 0 | 109.6 | | |
| 459 | N | 34.5 | Very low | 33.1 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 169.6 | -166.2 | -115.5 | -7.5 | 0 | 0 | 0 | 112.8 | | |
| 460 | P | 36.4 | Very low | 32.7 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 137.8 | -158.1 | 28.6 | -36.3 | 0 | 0 | 0 | 114 | | |
| 461 | A | 29.7 | Very low | 33.4 | Very low | 89 Ų | 89 | 149 Ų | 149 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 131.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 462 | A | 38.6 | Very low | 33.1 | Very low | 106 Ų | 106 | 146.4 Ų | 146.4 | 88% | 0.876 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 130.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 463 | M | 30.3 | Very low | 33.2 | Very low | 170 Ų | 170 | 148.4 Ų | 148.4 | 84% | 0.837 | 80% | 0.8 | S | S | * | * | | | trans | -105 | 154.3 | 168.3 | -67.5 | -114.4 | -60.5 | 0 | 0 | 107.3 | | |
| 464 | S | 33 | Very low | 33.4 | Very low | 83 Ų | 83 | 146.7 Ų | 146.7 | 58% | 0.58 | 81% | 0.805 | S | S | * | * | | | cis | -176.6 | 166 | -11.7 | -107.7 | 0 | 0 | 0 | 0 | 104.8 | | |
| 465 | D | 33.6 | Very low | 33.6 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | | | cis | -141.9 | 165.9 | -4.1 | -91.6 | -34.9 | 0 | 0 | 0 | 105.1 | | |
| 466 | Y | 37.2 | Very low | 33.5 | Very low | 229 Ų | 229 | 149 Ų | 149 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | | | | -157.9 | 169.2 | 59.8 | 51.5 | -94.8 | 0 | 0 | 0 | 113 | | |
| 467 | R | 29.3 | Very low | 34.4 | Very low | 234 Ų | 234 | 152.6 Ų | 152.6 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -137.8 | 117.5 | -158.4 | 171.8 | -165.1 | 178.7 | -171.6 | 1.7 | 112.5 | | |
| 468 | V | 34.7 | Very low | 34.5 | Very low | 138 Ų | 138 | 147.3 Ų | 147.3 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | | | trans | -137.3 | 152.6 | 156.6 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 469 | Q | 35.4 | Very low | 35.2 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | | | trans | -65.8 | 153.6 | -165.1 | -59.8 | 147.4 | -1.3 | 0 | 0 | 115.5 | | |
| 470 | G | 26.4 | Very low | 35.3 | Very low | 66 Ų | 66 | 149.1 Ų | 149.1 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | | | trans | -89.3 | -155 | 153 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 471 | P | 45.8 | Very low | 35.3 | Very low | 129 Ų | 129 | 147 Ų | 147 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | cis | -102.9 | -153.7 | 3.2 | 34.1 | -16.1 | 0 | 0 | 0 | 110.5 | | |
| 472 | D | 29.3 | Very low | 35.8 | Very low | 116 Ų | 116 | 149.9 Ų | 149.9 | 62% | 0.62 | 80% | 0.798 | S | S | * | * | | | cis | -158 | 177.9 | 17.7 | -168.7 | 14 | 0 | 0 | 0 | 109.8 | | |
| 473 | R | 35.2 | Very low | 35.9 | Very low | 226 Ų | 226 | 151.9 Ų | 151.9 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | 27.9 | 136.5 | 162.1 | -68 | 158.1 | -154.3 | -126.2 | -2.2 | 119.8 | | |
| 474 | G | 35.8 | Very low | 36.7 | Very low | 75 Ų | 75 | 151.6 Ų | 151.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | cis | 164.8 | -173.2 | 14.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 475 | R | 38.7 | Very low | 37.3 | Very low | 246 Ų | 246 | 154.9 Ų | 154.9 | 93% | 0.928 | 81% | 0.807 | S | S | * | * | | | trans | -77.2 | 143.2 | -175.4 | -61.2 | 173.4 | 172.8 | -143.2 | -0.9 | 113.1 | | |
| 476 | F | 32.9 | Very low | 37.8 | Very low | 202 Ų | 202 | 159.7 Ų | 159.7 | 89% | 0.886 | 82% | 0.816 | S | S | * | * | | | trans | -150.8 | 162.8 | 139.6 | -144 | -102.1 | 0 | 0 | 0 | 112.5 | | |
| 477 | L | 45.8 | Very low | 38.4 | Very low | 152 Ų | 152 | 154.4 Ų | 154.4 | 80% | 0.796 | 81% | 0.811 | S | S | * | * | | | trans | -131.9 | 141.3 | 178.1 | -117.2 | 84.5 | 0 | 0 | 0 | 110.2 | | |
| 478 | G | 34.3 | Very low | 38.9 | Very low | 70 Ų | 70 | 147.6 Ų | 147.6 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | trans | 174.1 | 130.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 479 | L | 41.7 | Very low | 39.1 | Very low | 139 Ų | 139 | 146.7 Ų | 146.7 | 73% | 0.728 | 79% | 0.794 | S | S | * | * | | | cis | 83.5 | 112 | 22.3 | -60.3 | 175.5 | 0 | 0 | 0 | 116.4 | | |
| 480 | Y | 37.5 | Very low | 39.2 | Very low | 223 Ų | 223 | 143 Ų | 143 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | | | trans | 75.1 | 154.2 | 165.7 | -57.8 | -72.9 | 0 | 0 | 0 | 119.1 | | |
| 481 | G | 36.9 | Very low | 39.7 | Very low | 76 Ų | 76 | 144.9 Ų | 144.9 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | | | trans | 99 | 96.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 482 | D | 38.8 | Very low | 39.5 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | | | cis | 104.9 | 155.2 | 18.8 | -147.9 | 6.4 | 0 | 0 | 0 | 113.7 | | |
| 483 | D | 41.1 | Very low | 39.8 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | 71.2 | 138.5 | 177.5 | -60.8 | -57.9 | 0 | 0 | 0 | 120.6 | | |
| 484 | D | 48 | Very low | 40.1 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | | | trans | -98.1 | -152.8 | 175.5 | -89.9 | -66.3 | 0 | 0 | 0 | 111.1 | | |
| 485 | D | 45.4 | Very low | 40.2 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | trans | 74.3 | 94.9 | 166.8 | -69.8 | -23.4 | 0 | 0 | 0 | 120 | | |
| 486 | W | 44.6 | Very low | 40.6 | Very low | 237 Ų | 237 | 137.2 Ų | 137.2 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | | | | -151.3 | 126.1 | 112.4 | -157.2 | -84.2 | 0 | 0 | 0 | 113.3 | | |
| 487 | C | 49.3 | Very low | 41.3 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | | | trans | -122.2 | 123.8 | 174 | 178.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 488 | S | 38.7 | Very low | 41.4 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 64% | 0.636 | 79% | 0.792 | S | S | * | * | | | trans | 178.5 | 135.9 | 163.6 | -78.5 | 0 | 0 | 0 | 0 | 106.7 | | |
| 489 | T | 39 | Very low | 42.4 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | | | cis | -130 | 137.4 | 26.3 | 48.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 490 | C | 37.7 | Very low | 43.1 | Very low | 104 Ų | 104 | 140.8 Ų | 140.8 | 70% | 0.703 | 80% | 0.802 | S | S | * | * | | | | 64.1 | 138.2 | 53.4 | 100.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 491 | S | 36.6 | Very low | 44.2 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | cis | -155.4 | 168.7 | -3.3 | -73.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 492 | S | 41.8 | Very low | 45.4 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | cis | -145.7 | -154.9 | 2.6 | -127.8 | 0 | 0 | 0 | 0 | 108 | | |
| 493 | S | 35.6 | Very low | 46.2 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | | | cis | -151.4 | -179.7 | 20.8 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 494 | S | 41.8 | Very low | 47.2 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | trans | -87.8 | 152.1 | -167.8 | -38.1 | 0 | 0 | 0 | 0 | 117 | | |
| 495 | S | 38.1 | Very low | 48.2 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | | | trans | -142.3 | 157.1 | 144.3 | -104 | 0 | 0 | 0 | 0 | 109.5 | | |
| 496 | D | 48 | Very low | 49.1 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 86% | 0.856 | 75% | 0.745 | S | S | * | * | | | trans | -95.7 | 135.6 | -173.6 | -169.2 | 59.4 | 0 | 0 | 0 | 111.4 | | |
| 497 | S | 46.8 | Very low | 50 | Low | 115 Ų | 115 | 122.2 Ų | 122.2 | 80% | 0.804 | 73% | 0.73 | S | S | * | * | | | trans | -164.9 | 130.8 | 172.7 | 62 | 0 | 0 | 0 | 0 | 111.5 | | |
| 498 | E | 47.7 | Very low | 50.6 | Low | 168 Ų | 168 | 121.8 Ų | 121.8 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | | | trans | -106.5 | 147.3 | -166.2 | 61.6 | -161.7 | 142.4 | 0 | 0 | 115.7 | E500 | E498-E500 PolarHBondContact O-N 2.95Š|
| 499 | E | 54.4 | Low | 51.6 | Low | 147 Ų | 147 | 123.2 Ų | 123.2 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | | | trans | 41.2 | 42.6 | 161 | 77.5 | 154 | -143.9 | 0 | 0 | 123.6 | G501 | E499-G501 VanDerWaalsContact C-N 3.26Å; E499-G501 PolarHBondContact O-N 3.05Å |
| 500 | E | 57.6 | Low | 52.7 | Low | 208 Ų | 208 | 126.3 Ų | 126.3 | 97% | 0.972 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 76.6 | 163.8 | -68.1 | -165.4 | 133 | 0 | 0 | 113.3 | E498 | E498-E500 PolarHBondContact O-N 2.95Š|
| 501 | G | 60.4 | Low | 53.2 | Low | 37 Ų | 37 | 126.1 Ų | 126.1 | 38% | 0.381 | 74% | 0.737 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -173.5 | -11 | 178 | 0 | 0 | 0 | 0 | 0 | 118.3 | E499 I508 | E499-G501 VanDerWaalsContact C-N 3.26Å; E499-G501 PolarHBondContact O-N 3.05Å; G501-I508 PolarHBondContact O-N 3.06Å |
| 502 | F | 61.3 | Low | 54 | Low | 108 Ų | 108 | 132.1 Ų | 132.1 | 47% | 0.474 | 74% | 0.744 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.9 | 139.1 | -174.2 | -65.5 | -93.2 | 0 | 0 | 0 | 112.4 | Q506 P507 | F502-Q506 WeakPolarHBondContact CA-O 3.22Å; F502-P507 HydrophobicContact CD1-CB 4.23Å; F502-P507 HydrophobicContact CE1-CB 3.87Å; F502-P507 HydrophobicContact CE1-CG 4.34Å |
| 503 | F | 56.8 | Low | 54.2 | Low | 152 Ų | 152 | 132.8 Ų | 132.8 | 67% | 0.667 | 75% | 0.745 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.3 | 118.1 | 167.2 | -163.8 | -98.6 | 0 | 0 | 0 | 108 | G505 Q506 I508 | F503-G505 VanDerWaalsContact C-N 3.26Å; F503-G505 PolarHBondContact O-N 3.48Å; F503-Q506 PolarHBondContact N-O 3.24Å; F503-Q506 PolarHBondContact O-N 3.47Å; F503-I508 HydrophobicContact CB-CD1 4.47Å; F503-I508 HydrophobicContact CB-CG1 4.18Å |
| 504 | L | 62.1 | Low | 54.2 | Low | 160 Ų | 160 | 134.3 Ų | 134.3 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 54 | 38.3 | -175.1 | -53.3 | 175.5 | 0 | 0 | 0 | 113.6 | Q506 | L504-Q506 VanDerWaalsContact C-N 3.28Å; L504-Q506 PolarHBondContact O-N 3.21Å |
| 505 | G | 67.6 | Low | 54.1 | Low | 67 Ų | 67 | 139.7 Ų | 139.7 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 73.5 | 11.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | F503 | F503-G505 VanDerWaalsContact C-N 3.26Å; F503-G505 PolarHBondContact O-N 3.48Å |
| 506 | Q | 65.3 | Low | 54 | Low | 147 Ų | 147 | 141.2 Ų | 141.2 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -114.9 | 139.3 | 170.7 | -64.9 | -169.6 | -9.2 | 0 | 0 | 110.8 | F502 F503 L504 | F502-Q506 WeakPolarHBondContact CA-O 3.22Å; F503-Q506 PolarHBondContact N-O 3.24Å; F503-Q506 PolarHBondContact O-N 3.47Å; L504-Q506 VanDerWaalsContact C-N 3.28Å; L504-Q506 PolarHBondContact O-N 3.21Å |
| 507 | P | 63 | Low | 53.2 | Low | 88 Ų | 88 | 144.6 Ų | 144.6 | 57% | 0.571 | 74% | 0.736 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69 | 134 | 179.5 | 28.7 | -33.9 | 0 | 0 | 0 | 109.8 | F502 P509 | F502-P507 HydrophobicContact CD1-CB 4.23Å; F502-P507 HydrophobicContact CE1-CB 3.87Å; F502-P507 HydrophobicContact CE1-CG 4.34Å; P507-P509 VanDerWaalsContact O-CD 3.32Å; P507-P509 WeakPolarHBondContact O-CD 3.12Å |
| 508 | I | 62.6 | Low | 52.6 | Low | 108 Ų | 108 | 149 Ų | 149 | 55% | 0.554 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 121.1 | -175.8 | -61.4 | 173.4 | 0 | 0 | 0 | 109.7 | G501 F503 Q510 | G501-I508 PolarHBondContact O-N 3.06Å; F503-I508 HydrophobicContact CB-CD1 4.47Å; F503-I508 HydrophobicContact CB-CG1 4.18Å; I508-Q510 PolarHBondContact O-N 3.28Å; I508-Q510 VanDerWaalsContact O-N 3.14Å |
| 509 | P | 59.8 | Low | 52.3 | Low | 120 Ų | 120 | 146.7 Ų | 146.7 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 116.7 | -177.4 | -24 | 35 | 0 | 0 | 0 | 112.1 | P507 A511 | P507-P509 VanDerWaalsContact O-CD 3.32Å; P507-P509 WeakPolarHBondContact O-CD 3.12Å; P509-A511 PolarHBondContact O-N 3.24Å |
| 510 | Q | 62.5 | Low | 51.5 | Low | 185 Ų | 185 | 147.1 Ų | 147.1 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 136.4 | 179.5 | -68.2 | -175.3 | -7.8 | 0 | 0 | 111.8 | I508 R512 | I508-Q510 PolarHBondContact O-N 3.28Å; I508-Q510 VanDerWaalsContact O-N 3.14Å; Q510-R512 PolarHBondContact O-N 3.04Å |
| 511 | A | 47.7 | Very low | 50.7 | Low | 101 Ų | 101 | 145 Ų | 145 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 122.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | P509 | P509-A511 PolarHBondContact O-N 3.24Š|
| 512 | R | 52.3 | Low | 49.7 | Very low | 233 Ų | 233 | 151.3 Ų | 151.3 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 138.1 | 179.9 | -68.8 | -178 | 176.4 | -178.8 | -1.4 | 110.8 | Q510 H514 | Q510-R512 PolarHBondContact O-N 3.04Å; R512-H514 PolarHBondContact O-N 2.99Å |
| 513 | P | 46.3 | Very low | 48.5 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 128.4 | 176.8 | 25.4 | -33.7 | 0 | 0 | 0 | 111 | R515 | P513-R515 PolarHBondContact O-N 3.48Š|
| 514 | H | 37.3 | Very low | 47.3 | Very low | 148 Ų | 148 | 149.9 Ų | 149.9 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | | | trans | -72 | 94.4 | -177.1 | -178.3 | -79.3 | 0 | 0 | 0 | 110.9 | R512 H516 | R512-H514 PolarHBondContact O-N 2.99Å; H514-H516 AromaticContact ND1-CE1 3.99Å; H514-H516 PolarHBondContact O-CD2 2.81Å; H514-H516 PolarHBondContact O-N 3.34Å |
| 515 | R | 38.4 | Very low | 46.4 | Very low | 233 Ų | 233 | 147.5 Ų | 147.5 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | | | trans | -64.1 | 107.2 | 173.1 | -97.6 | -169 | 171 | -167.4 | -2.3 | 110.4 | P513 Y517 | P513-R515 PolarHBondContact O-N 3.48Å; R515-Y517 PolarHBondContact O-N 3.39Å |
| 516 | H | 36.4 | Very low | 44.8 | Very low | 159 Ų | 159 | 151.1 Ų | 151.1 | 74% | 0.736 | 79% | 0.792 | S | S | * | * | | | trans | -61.5 | 118.1 | 166.4 | -64 | -90.3 | 0 | 0 | 0 | 109.6 | H514 Y518 | H514-H516 AromaticContact ND1-CE1 3.99Å; H514-H516 PolarHBondContact O-CD2 2.81Å; H514-H516 PolarHBondContact O-N 3.34Å; H516-Y518 PolarHBondContact O-N 3.47Å |
| 517 | Y | 31 | Very low | 43.2 | Very low | 230 Ų | 230 | 149 Ų | 149 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | | | trans | -79.1 | 108.8 | 166.8 | -114.4 | -88.3 | 0 | 0 | 0 | 108.2 | R515 | R515-Y517 PolarHBondContact O-N 3.39Š|
| 518 | Y | 34.8 | Very low | 41.6 | Very low | 208 Ų | 208 | 147.8 Ų | 147.8 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | | | trans | -86.1 | 145.5 | 160.8 | -117.7 | -90.4 | 0 | 0 | 0 | 109.1 | H516 | H516-Y518 PolarHBondContact O-N 3.47Š|
| 519 | T | 41.7 | Very low | 40.2 | Very low | 119 Ų | 119 | 152.9 Ų | 152.9 | 73% | 0.73 | 82% | 0.821 | S | S | * | * | | | trans | -83.9 | 130 | 177.3 | 48.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 520 | D | 36.3 | Very low | 38.9 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 84% | 0.84 | 82% | 0.824 | S | S | * | * | | | trans | -138.3 | 109.6 | 160.7 | -104.3 | -44.3 | 0 | 0 | 0 | 109.4 | | |
| 521 | D | 40.8 | Very low | 37.5 | Very low | 162 Ų | 162 | 148.5 Ų | 148.5 | 87% | 0.866 | 82% | 0.82 | S | S | * | * | | | trans | -88.1 | 102.8 | 174 | -92.3 | -49.5 | 0 | 0 | 0 | 109.8 | | |
| 522 | L | 39.4 | Very low | 37.6 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | | | trans | -136.5 | 115 | 166.8 | -74.1 | 179.1 | 0 | 0 | 0 | 111.4 | | |
| 523 | A | 36.5 | Very low | 37.6 | Very low | 107 Ų | 107 | 143.6 Ų | 143.6 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | | | trans | -101 | 135.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 524 | S | 31.5 | Very low | 36.9 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | | | trans | -156.4 | 152 | 166.1 | -157.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 525 | P | 43.7 | Very low | 36.6 | Very low | 109 Ų | 109 | 145.7 Ų | 145.7 | 71% | 0.708 | 81% | 0.806 | S | S | * | * | | | trans | -124 | 157.8 | -152.2 | 41.1 | -28.5 | 0 | 0 | 0 | 118.3 | | |
| 526 | V | 33 | Very low | 36.6 | Very low | 143 Ų | 143 | 142.4 Ų | 142.4 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | | | trans | 78.3 | 141.9 | 145 | 163.8 | 0 | 0 | 0 | 0 | 121.2 | | |
| 527 | A | 31.6 | Very low | 36.3 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | | | trans | 98.3 | 130.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 528 | G | 31.1 | Very low | 36.6 | Very low | 63 Ų | 63 | 139.8 Ų | 139.8 | 65% | 0.649 | 80% | 0.798 | S | S | * | * | | | cis | 160.9 | 153.1 | -12.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 529 | K | 33.2 | Very low | 36.9 | Very low | 215 Ų | 215 | 137.3 Ų | 137.3 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | | | trans | 76.3 | 145.5 | -177.6 | -49.5 | 162.7 | -174.1 | 173.9 | 0 | 113.1 | | |
| 530 | S | 30.9 | Very low | 36.7 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | cis | -155.9 | 156.4 | -0.2 | 43 | 0 | 0 | 0 | 0 | 111.9 | | |
| 531 | A | 34.2 | Very low | 37.1 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | | | trans | -119.2 | 161.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 532 | P | 48.8 | Very low | 37.2 | Very low | 123 Ų | 123 | 141.5 Ų | 141.5 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | | -154.5 | -157.2 | 85.1 | 40 | -18 | 0 | 0 | 0 | 113.3 | | |
| 533 | P | 53.6 | Low | 37.8 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | | -127.9 | 170.6 | -52.8 | 31.1 | -13.5 | 0 | 0 | 0 | 115 | | |
| 534 | Y | 31.1 | Very low | 37.9 | Very low | 204 Ų | 204 | 148 Ų | 148 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | | | trans | 67.7 | 152.9 | 160.9 | -99.2 | -138.3 | 0 | 0 | 0 | 117 | | |
| 535 | D | 31.6 | Very low | 38.2 | Very low | 110 Ų | 110 | 145.5 Ų | 145.5 | 59% | 0.588 | 80% | 0.795 | S | S | * | * | | | cis | -141 | 149.2 | 21.5 | -150.7 | -17.6 | 0 | 0 | 0 | 115.9 | | |
| 536 | Q | 37.8 | Very low | 38.3 | Very low | 163 Ų | 163 | 151.9 Ų | 151.9 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | | | trans | 44 | 158.6 | 156.7 | -87.8 | 163.4 | 92.7 | 0 | 0 | 125.5 | | |
| 537 | W | 30.2 | Very low | 39 | Very low | 190 Ų | 190 | 154.4 Ų | 154.4 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | | | trans | -132.1 | 144.8 | -172 | 141 | -45.2 | 0 | 0 | 0 | 109.4 | K539 | W537-K539 HydrophobicContact CD2-CD 4.44Å; W537-K539 HydrophobicContact CD2-CG 4.38Å; W537-K539 HydrophobicContact CH2-CD 4.18Å; W537-K539 VanDerWaalsContact CH2-CE 3.48Å; W537-K539 HydrophobicContact CZ2-CD 3.6Å; W537-K539 VanDerWaalsContact CZ2-CE 3.41Å; W537-K539 HydrophobicContact CZ2-CG 4.32Å |
| 538 | T | 37.5 | Very low | 39.9 | Very low | 144 Ų | 144 | 153 Ų | 153 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | trans | -140.1 | 149.1 | 152.9 | 56.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 539 | K | 39.8 | Very low | 41.3 | Very low | 156 Ų | 156 | 158.5 Ų | 158.5 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | | | trans | -133.3 | 136.9 | -179.8 | -75 | -175.4 | 176.8 | 174.6 | 0 | 111.1 | W537 | W537-K539 HydrophobicContact CD2-CD 4.44Å; W537-K539 HydrophobicContact CD2-CG 4.38Å; W537-K539 HydrophobicContact CH2-CD 4.18Å; W537-K539 VanDerWaalsContact CH2-CE 3.48Å; W537-K539 HydrophobicContact CZ2-CD 3.6Å; W537-K539 VanDerWaalsContact CZ2-CE 3.41Å; W537-K539 HydrophobicContact CZ2-CG 4.32Å |
| 540 | S | 37.8 | Very low | 42 | Very low | 118 Ų | 118 | 155.2 Ų | 155.2 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -144.2 | 95.3 | 169.1 | 47.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 541 | K | 44.5 | Very low | 43.2 | Very low | 202 Ų | 202 | 155.9 Ų | 155.9 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | | | trans | 47.3 | 88.7 | 139.1 | -60.2 | -175.1 | 179.7 | 178.1 | 0 | 120 | | |
| 542 | K | 42.6 | Very low | 44 | Very low | 207 Ų | 207 | 159.3 Ų | 159.3 | 90% | 0.9 | 80% | 0.804 | S | S | * | * | | | trans | -15.8 | 124 | 131.2 | -178.4 | -177.2 | -170.1 | 173.8 | 0 | 114.7 | | |
| 543 | K | 52.2 | Low | 44 | Very low | 215 Ų | 215 | 161.1 Ų | 161.1 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | | | trans | -136.6 | 148 | 161.2 | -157.7 | 172.8 | -179.8 | -179 | 0 | 110.3 | | |
| 544 | K | 39.9 | Very low | 43.6 | Very low | 198 Ų | 198 | 164.5 Ų | 164.5 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | | | trans | -126.4 | 112.3 | -164 | 176.2 | -178 | 173.5 | 178.8 | 0 | 113.4 | | |
| 545 | G | 36.7 | Very low | 44.3 | Very low | 72 Ų | 72 | 162.6 Ų | 162.6 | 74% | 0.742 | 83% | 0.834 | S | S | * | * | | | trans | 94.5 | 168.5 | 136.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 546 | R | 46.5 | Very low | 44.9 | Very low | 242 Ų | 242 | 165.3 Ų | 165.3 | 91% | 0.913 | 85% | 0.847 | S | S | * | * | | | trans | 88.2 | 88.4 | 166.2 | -60.4 | -173.2 | 179.3 | -108 | 0.9 | 120.1 | | |
| 547 | K | 48.2 | Very low | 45.3 | Very low | 197 Ų | 197 | 165.4 Ų | 165.4 | 86% | 0.857 | 85% | 0.851 | S | S | * | * | | | | 60.7 | 95.3 | 106.8 | -165.7 | 179.9 | -173.8 | 176.7 | 0 | 119.5 | | |
| 548 | G | 50.4 | Low | 46.2 | Very low | 71 Ų | 71 | 164 Ų | 164 | 73% | 0.732 | 86% | 0.859 | S | S | * | * | | | trans | -138.9 | 134.8 | 139.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 549 | K | 59.2 | Low | 46.7 | Very low | 180 Ų | 180 | 165.3 Ų | 165.3 | 78% | 0.783 | 86% | 0.857 | S | S | * | * | | | | 71 | 106.3 | 52.2 | -76.8 | -154.8 | 172.9 | -166.1 | 0 | 114.3 | | |
| 550 | N | 47.9 | Very low | 47.2 | Very low | 146 Ų | 146 | 165.9 Ų | 165.9 | 78% | 0.781 | 87% | 0.869 | S | S | * | * | | | trans | 63.5 | 103.8 | 146.3 | -54.4 | 29.4 | 0 | 0 | 0 | 118.5 | | |
| 551 | C | 55.8 | Low | 47.9 | Very low | 134 Ų | 134 | 169.3 Ų | 169.3 | 91% | 0.905 | 87% | 0.873 | S | S | * | * | | | trans | -131.6 | 125.3 | 142.7 | -73.5 | 0 | 0 | 0 | 0 | 108.6 | | |
| 552 | I | 52.4 | Low | 48.1 | Very low | 165 Ų | 165 | 166.8 Ų | 166.8 | 85% | 0.846 | 87% | 0.872 | S | S | * | * | | | trans | -115 | 133.8 | 159.7 | -63.2 | 170.4 | 0 | 0 | 0 | 104.9 | | |
| 553 | I | 48.4 | Very low | 48.6 | Very low | 162 Ų | 162 | 163.4 Ų | 163.4 | 83% | 0.831 | 87% | 0.87 | S | S | * | * | | | trans | 178.3 | 132.1 | 167.1 | -93.8 | 143.6 | 0 | 0 | 0 | 104.8 | | |
| 554 | S | 45.7 | Very low | 48.3 | Very low | 179 Ų | 179 | 158.7 Ų | 158.7 | 100% | 1.252 | 86% | 0.864 | S | S | * | * | | | cis | -152.5 | 0 | -13.2 | -98.6 | 0 | 0 | 0 | 0 | 109.2 | | |