| 1 | M | 80.3 | Confident | 91.4 | Very high | 207 Ų | 207 | 125.4 Ų | 125.4 | 100% | 1.02 | 62% | 0.62 | S | S | * | * | | | | 0 | -59.8 | 0 | -163.6 | 163.7 | 76.5 | 0 | 0 | 113 | I3 R4 L5 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.43Å; M1-I3 VanDerWaalsContact O-N 3.11Å; M1-R4 PolarHBondContact O-N 3.49Å; M1-L5 PolarHBondContact O-N 3.36Å |
| 2 | I | 91.2 | Very high | 91.6 | Very high | 139 Ų | 139 | 124 Ų | 124 | 71% | 0.713 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -44.4 | -47.7 | -170.5 | -60.7 | 170.8 | 0 | 0 | 0 | 114.6 | R4 L5 S6 | I2-R4 VanDerWaalsContact C-N 3.33Å; I2-R4 PolarHBondContact O-N 3.47Å; I2-L5 WeakPolarHBondContact O-CB 3.47Å; I2-L5 PolarHBondContact O-N 3.28Å; I2-S6 PolarHBondContact O-N 3.01Å |
| 3 | I | 90.8 | Very high | 91.8 | Very high | 147 Ų | 147 | 122.5 Ų | 122.5 | 75% | 0.754 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -57.2 | -41.5 | -178.7 | -60.6 | 173.8 | 0 | 0 | 0 | 112.4 | M1 S6 F7 | M1-I3 VanDerWaalsContact C-N 3.34Å; M1-I3 PolarHBondContact O-N 3.43Å; M1-I3 VanDerWaalsContact O-N 3.11Å; I3-S6 PolarHBondContact O-N 3.24Å; I3-F7 WeakPolarHBondContact O-CB 3.36Å; I3-F7 PolarHBondContact O-N 3.49Å |
| 4 | R | 88.6 | Confident | 92.1 | Very high | 202 Ų | 202 | 120.7 Ų | 120.7 | 76% | 0.762 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.9 | -39.3 | 176.1 | -72.7 | -168.8 | 179 | -171.5 | 0.8 | 111.8 | M1 I2 S6 F7 I8 | M1-R4 PolarHBondContact O-N 3.49Å; I2-R4 VanDerWaalsContact C-N 3.33Å; I2-R4 PolarHBondContact O-N 3.47Å; R4-S6 VanDerWaalsContact C-N 3.35Å; R4-F7 PolarHBondContact O-N 3.37Å; R4-I8 WeakPolarHBondContact O-CD1 3.46Å; R4-I8 VanDerWaalsContact O-CG1 3.25Å; R4-I8 WeakPolarHBondContact O-CG1 3.44Å; R4-I8 PolarHBondContact O-N 2.94Å |
| 5 | L | 92.6 | Very high | 92.1 | Very high | 98 Ų | 98 | 117.8 Ų | 117.8 | 51% | 0.513 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.8 | -39.3 | 178.1 | -166.1 | 70.6 | 0 | 0 | 0 | 111.6 | M1 I2 I8 H9 | M1-L5 PolarHBondContact O-N 3.36Å; I2-L5 WeakPolarHBondContact O-CB 3.47Å; I2-L5 PolarHBondContact O-N 3.28Å; L5-I8 PolarHBondContact O-N 3.26Å; L5-H9 PolarHBondContact O-N 2.94Å; L5-H9 PolarHBondContact O-ND1 3.13Å |
| 6 | S | 92.1 | Very high | 92.2 | Very high | 78 Ų | 78 | 117.9 Ų | 117.9 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68.3 | -40.8 | 176.1 | -162 | 0 | 0 | 0 | 0 | 112.2 | I2 I3 R4 H9 L10 | I2-S6 PolarHBondContact O-N 3.01Å; I3-S6 PolarHBondContact O-N 3.24Å; R4-S6 VanDerWaalsContact C-N 3.35Å; S6-H9 PolarHBondContact O-N 3.26Å; S6-L10 PolarHBondContact O-N 3.47Å |
| 7 | F | 93 | Very high | 92.2 | Very high | 139 Ų | 139 | 115.2 Ų | 115.2 | 61% | 0.61 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.3 | -40.8 | 174.4 | -166.4 | -92.7 | 0 | 0 | 0 | 112.1 | I3 R4 H9 L10 V11 | I3-F7 WeakPolarHBondContact O-CB 3.36Å; I3-F7 PolarHBondContact O-N 3.49Å; R4-F7 PolarHBondContact O-N 3.37Å; F7-H9 VanDerWaalsContact C-N 3.34Å; F7-H9 PolarHBondContact O-N 3.24Å; F7-L10 PolarHBondContact O-N 3.14Å; F7-V11 HydrophobicContact CD1-CG2 4.02Å; F7-V11 HydrophobicContact CE1-CG2 3.74Å; F7-V11 HydrophobicContact CZ-CG2 4.32Å; F7-V11 WeakPolarHBondContact O-CG2 3.14Å; F7-V11 PolarHBondContact O-N 2.94Å |
| 8 | I | 93.5 | Very high | 92.1 | Very high | 93 Ų | 93 | 115.4 Ų | 115.4 | 48% | 0.477 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.2 | -42.1 | 173.2 | -70.1 | 163.8 | 0 | 0 | 0 | 110.9 | R4 L5 V11 L12 | R4-I8 WeakPolarHBondContact O-CD1 3.46Å; R4-I8 VanDerWaalsContact O-CG1 3.25Å; R4-I8 WeakPolarHBondContact O-CG1 3.44Å; R4-I8 PolarHBondContact O-N 2.94Å; L5-I8 PolarHBondContact O-N 3.26Å; I8-V11 PolarHBondContact O-N 2.91Å; I8-L12 HydrophobicContact CG2-CD1 3.93Å; I8-L12 HydrophobicContact CG2-CG 4.5Å; I8-L12 WeakPolarHBondContact O-CB 3.45Å; I8-L12 VanDerWaalsContact O-CG 3.3Å; I8-L12 WeakPolarHBondContact O-CG 3.31Å; I8-L12 PolarHBondContact O-N 3.1Å |
| 9 | H | 93.9 | Very high | 91.8 | Very high | 118 Ų | 118 | 115.8 Ų | 115.8 | 55% | 0.546 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.6 | -41.1 | 174.7 | -82.6 | 68.1 | 0 | 0 | 0 | 112.5 | L5 S6 F7 L12 L13 | L5-H9 PolarHBondContact O-N 2.94Å; L5-H9 PolarHBondContact O-ND1 3.13Å; S6-H9 PolarHBondContact O-N 3.26Å; F7-H9 VanDerWaalsContact C-N 3.34Å; F7-H9 PolarHBondContact O-N 3.24Å; H9-L12 PolarHBondContact O-N 3.01Å; H9-L13 WeakPolarHBondContact O-CB 3.29Å; H9-L13 PolarHBondContact O-N 3.4Å |
| 10 | L | 94.5 | Very high | 91.6 | Very high | 91 Ų | 91 | 114.7 Ų | 114.7 | 48% | 0.476 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.3 | -43.8 | 177.2 | -178.4 | 61.1 | 0 | 0 | 0 | 112 | S6 F7 L13 I14 | S6-L10 PolarHBondContact O-N 3.47Å; F7-L10 PolarHBondContact O-N 3.14Å; L10-L13 PolarHBondContact O-N 3.24Å; L10-I14 HydrophobicContact CD1-CD1 4.14Å; L10-I14 HydrophobicContact CD1-CG1 4.43Å; L10-I14 HydrophobicContact CG-CD1 4.01Å; L10-I14 VanDerWaalsContact O-CG1 3.31Å; L10-I14 WeakPolarHBondContact O-CG1 3.38Å; L10-I14 PolarHBondContact O-N 2.87Å |
| 11 | V | 94.5 | Very high | 91.4 | Very high | 67 Ų | 67 | 115.1 Ų | 115.1 | 41% | 0.406 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.2 | -44.8 | 175.7 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | F7 I8 L13 I14 C15 | F7-V11 HydrophobicContact CD1-CG2 4.02Å; F7-V11 HydrophobicContact CE1-CG2 3.74Å; F7-V11 HydrophobicContact CZ-CG2 4.32Å; F7-V11 WeakPolarHBondContact O-CG2 3.14Å; F7-V11 PolarHBondContact O-N 2.94Å; I8-V11 PolarHBondContact O-N 2.91Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 3.25Å; V11-I14 PolarHBondContact O-N 3.04Å; V11-C15 WeakPolarHBondContact O-CB 3.43Å; V11-C15 PolarHBondContact O-N 2.92Å; V11-C15 PolarHBondContact O-SG 3.16Å |
| 12 | L | 94.4 | Very high | 91.5 | Very high | 109 Ų | 109 | 109.4 Ų | 109.4 | 57% | 0.571 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.6 | -40.6 | 175.1 | -74.5 | 169.5 | 0 | 0 | 0 | 112.3 | I8 H9 C15 F16 | I8-L12 HydrophobicContact CG2-CD1 3.93Å; I8-L12 HydrophobicContact CG2-CG 4.5Å; I8-L12 WeakPolarHBondContact O-CB 3.45Å; I8-L12 VanDerWaalsContact O-CG 3.3Å; I8-L12 WeakPolarHBondContact O-CG 3.31Å; I8-L12 PolarHBondContact O-N 3.1Å; H9-L12 PolarHBondContact O-N 3.01Å; L12-C15 PolarHBondContact O-N 3.07Å; L12-F16 VanDerWaalsContact O-CB 3.32Å; L12-F16 WeakPolarHBondContact O-CB 3.4Å; L12-F16 PolarHBondContact O-N 3.12Å |
| 13 | L | 94.8 | Very high | 90.9 | Very high | 105 Ų | 105 | 106.6 Ų | 106.6 | 55% | 0.55 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 176.7 | -171.2 | 75 | 0 | 0 | 0 | 111.5 | H9 L10 V11 F16 V17 | H9-L13 WeakPolarHBondContact O-CB 3.29Å; H9-L13 PolarHBondContact O-N 3.4Å; L10-L13 PolarHBondContact O-N 3.24Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 3.25Å; L13-F16 PolarHBondContact O-N 3.29Å; L13-V17 WeakPolarHBondContact O-CG2 3.36Å; L13-V17 PolarHBondContact O-N 3.01Å |
| 14 | I | 94.7 | Very high | 89.3 | Confident | 97 Ų | 97 | 104.9 Ų | 104.9 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 177.2 | -68.5 | 165.5 | 0 | 0 | 0 | 110.2 | L10 V11 F16 V17 H18 | L10-I14 HydrophobicContact CD1-CD1 4.14Å; L10-I14 HydrophobicContact CD1-CG1 4.43Å; L10-I14 HydrophobicContact CG-CD1 4.01Å; L10-I14 VanDerWaalsContact O-CG1 3.31Å; L10-I14 WeakPolarHBondContact O-CG1 3.38Å; L10-I14 PolarHBondContact O-N 2.87Å; V11-I14 PolarHBondContact O-N 3.04Å; I14-F16 VanDerWaalsContact C-N 3.32Å; I14-F16 PolarHBondContact O-N 3.09Å; I14-V17 PolarHBondContact O-N 2.97Å; I14-H18 WeakPolarHBondContact O-CB 3.23Å; I14-H18 PolarHBondContact O-N 2.9Å |
| 15 | C | 92.4 | Very high | 87.8 | Confident | 77 Ų | 77 | 102 Ų | 102 | 52% | 0.52 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.8 | -38.1 | 175.5 | -70.2 | 0 | 0 | 0 | 0 | 112.7 | V11 L12 F19 | V11-C15 WeakPolarHBondContact O-CB 3.43Å; V11-C15 PolarHBondContact O-N 2.92Å; V11-C15 PolarHBondContact O-SG 3.16Å; L12-C15 PolarHBondContact O-N 3.07Å; C15-F19 VanDerWaalsContact O-CB 3.28Å; C15-F19 WeakPolarHBondContact O-CB 3.36Å; C15-F19 PolarHBondContact O-N 3.12Å |
| 16 | F | 93.3 | Very high | 85.8 | Confident | 120 Ų | 120 | 104.2 Ų | 104.2 | 53% | 0.526 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.9 | -40.8 | 178 | -172.3 | -104.3 | 0 | 0 | 0 | 112.5 | L12 L13 I14 F19 L20 | L12-F16 VanDerWaalsContact O-CB 3.32Å; L12-F16 WeakPolarHBondContact O-CB 3.4Å; L12-F16 PolarHBondContact O-N 3.12Å; L13-F16 PolarHBondContact O-N 3.29Å; I14-F16 VanDerWaalsContact C-N 3.32Å; I14-F16 PolarHBondContact O-N 3.09Å; F16-F19 PolarHBondContact O-N 2.81Å; F16-L20 HydrophobicContact CD1-CD1 3.95Å; F16-L20 HydrophobicContact CD1-CG 4.49Å; F16-L20 HydrophobicContact CE1-CD1 3.61Å; F16-L20 HydrophobicContact CE1-CG 4.25Å; F16-L20 HydrophobicContact CZ-CD1 4.24Å; F16-L20 HydrophobicContact CZ-CG 4.48Å; F16-L20 WeakPolarHBondContact O-CG 3.43Å; F16-L20 PolarHBondContact O-N 3.41Å |
| 17 | V | 93 | Very high | 83.6 | Confident | 71 Ų | 71 | 107.7 Ų | 107.7 | 43% | 0.43 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.4 | -44.3 | 173.6 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | L13 I14 F19 L20 I21 | L13-V17 WeakPolarHBondContact O-CG2 3.36Å; L13-V17 PolarHBondContact O-N 3.01Å; I14-V17 PolarHBondContact O-N 2.97Å; V17-F19 VanDerWaalsContact C-N 3.33Å; V17-F19 PolarHBondContact O-N 3.2Å; V17-L20 PolarHBondContact O-N 3.49Å; V17-I21 HydrophobicContact CG1-CD1 3.8Å; V17-I21 WeakPolarHBondContact O-CG1 3.33Å; V17-I21 PolarHBondContact O-N 2.9Å |
| 18 | H | 90 | Very high | 81.2 | Confident | 120 Ų | 120 | 108 Ų | 108 | 56% | 0.556 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.8 | -37.4 | 176.6 | -133.5 | -80.7 | 0 | 0 | 0 | 111.9 | I14 I21 C22 | I14-H18 WeakPolarHBondContact O-CB 3.23Å; I14-H18 PolarHBondContact O-N 2.9Å; H18-I21 PolarHBondContact O-N 2.83Å; H18-C22 WeakPolarHBondContact O-CB 3.43Å; H18-C22 PolarHBondContact O-N 3.02Å; H18-C22 PolarHBondContact O-SG 3.47Å |
| 19 | F | 85.9 | Confident | 78.7 | Confident | 123 Ų | 123 | 110 Ų | 110 | 54% | 0.539 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -60.3 | -49.5 | 172.5 | 177.4 | -100.1 | 0 | 0 | 0 | 111.4 | C15 F16 V17 I21 C22 I23 | C15-F19 VanDerWaalsContact O-CB 3.28Å; C15-F19 WeakPolarHBondContact O-CB 3.36Å; C15-F19 PolarHBondContact O-N 3.12Å; F16-F19 PolarHBondContact O-N 2.81Å; V17-F19 VanDerWaalsContact C-N 3.33Å; V17-F19 PolarHBondContact O-N 3.2Å; F19-I21 PolarHBondContact O-N 3.32Å; F19-C22 CarbonylContact O-C 3.53Å; F19-C22 PolarHBondContact O-N 2.77Å; F19-C22 VanDerWaalsContact O-N 3.11Å; F19-I23 HydrophobicContact CD1-CD1 4.38Å; F19-I23 HydrophobicContact CE1-CD1 4.02Å; F19-I23 HydrophobicContact CE1-CG1 4.4Å; F19-I23 WeakPolarHBondContact O-CG1 3.45Å; F19-I23 PolarHBondContact O-N 2.94Å |
| 20 | L | 87.9 | Confident | 76.2 | Confident | 92 Ų | 92 | 110.9 Ų | 110.9 | 48% | 0.482 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -59.1 | -43.3 | 177.5 | -73.7 | 173.5 | 0 | 0 | 0 | 112.7 | F16 V17 C22 I23 | F16-L20 HydrophobicContact CD1-CD1 3.95Å; F16-L20 HydrophobicContact CD1-CG 4.49Å; F16-L20 HydrophobicContact CE1-CD1 3.61Å; F16-L20 HydrophobicContact CE1-CG 4.25Å; F16-L20 HydrophobicContact CZ-CD1 4.24Å; F16-L20 HydrophobicContact CZ-CG 4.48Å; F16-L20 WeakPolarHBondContact O-CG 3.43Å; F16-L20 PolarHBondContact O-N 3.41Å; V17-L20 PolarHBondContact O-N 3.49Å; L20-C22 VanDerWaalsContact C-N 3.27Å; L20-C22 PolarHBondContact O-N 3.09Å; L20-I23 HydrophobicContact CD2-CD1 4.07Å; L20-I23 PolarHBondContact O-N 3.06Å |
| 21 | I | 88.3 | Confident | 73.7 | Confident | 125 Ų | 125 | 113.7 Ų | 113.7 | 64% | 0.641 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.2 | -32.3 | 176.7 | -67.3 | 167.1 | 0 | 0 | 0 | 111.3 | V17 H18 F19 | V17-I21 HydrophobicContact CG1-CD1 3.8Å; V17-I21 WeakPolarHBondContact O-CG1 3.33Å; V17-I21 PolarHBondContact O-N 2.9Å; H18-I21 PolarHBondContact O-N 2.83Å; F19-I21 PolarHBondContact O-N 3.32Å |
| 22 | C | 83.1 | Confident | 71 | Confident | 87 Ų | 87 | 113.6 Ų | 113.6 | 59% | 0.588 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 3.1 | 178 | -69 | 0 | 0 | 0 | 0 | 114.8 | H18 F19 L20 P24 | H18-C22 WeakPolarHBondContact O-CB 3.43Å; H18-C22 PolarHBondContact O-N 3.02Å; H18-C22 PolarHBondContact O-SG 3.47Å; F19-C22 CarbonylContact O-C 3.53Å; F19-C22 PolarHBondContact O-N 2.77Å; F19-C22 VanDerWaalsContact O-N 3.11Å; L20-C22 VanDerWaalsContact C-N 3.27Å; L20-C22 PolarHBondContact O-N 3.09Å; C22-P24 VanDerWaalsContact O-CD 3.26Å; C22-P24 WeakPolarHBondContact O-CD 3.43Å |
| 23 | I | 76.8 | Confident | 68.4 | Low | 80 Ų | 80 | 114.7 Ų | 114.7 | 41% | 0.41 | 64% | 0.643 | S | S | . | * | S | Bend | trans | -74.8 | 115.7 | 170.9 | -65.1 | 173.7 | 0 | 0 | 0 | 109 | F19 L20 T25 | F19-I23 HydrophobicContact CD1-CD1 4.38Å; F19-I23 HydrophobicContact CE1-CD1 4.02Å; F19-I23 HydrophobicContact CE1-CG1 4.4Å; F19-I23 WeakPolarHBondContact O-CG1 3.45Å; F19-I23 PolarHBondContact O-N 2.94Å; L20-I23 HydrophobicContact CD2-CD1 4.07Å; L20-I23 PolarHBondContact O-N 3.06Å; I23-T25 PolarHBondContact O-N 3.33Å; I23-T25 VanDerWaalsContact O-N 3.09Å |
| 24 | P | 57.4 | Low | 65.7 | Low | 110 Ų | 110 | 115.1 Ų | 115.1 | 71% | 0.714 | 65% | 0.65 | S | S | * | * | | | trans | -71.6 | 107.8 | 175.7 | 29.4 | -33.3 | 0 | 0 | 0 | 110.1 | C22 N26 | C22-P24 VanDerWaalsContact O-CD 3.26Å; C22-P24 WeakPolarHBondContact O-CD 3.43Å; P24-N26 VanDerWaalsContact C-N 3.33Å; P24-N26 PolarHBondContact O-N 3.3Å |
| 25 | T | 58.6 | Low | 63 | Low | 143 Ų | 143 | 116.6 Ų | 116.6 | 88% | 0.877 | 66% | 0.663 | S | S | * | * | | | trans | -69.4 | 84.3 | 177.5 | 53.4 | 0 | 0 | 0 | 0 | 111.2 | I23 | I23-T25 PolarHBondContact O-N 3.33Å; I23-T25 VanDerWaalsContact O-N 3.09Å |
| 26 | N | 49.2 | Very low | 60.3 | Low | 144 Ų | 144 | 119 Ų | 119 | 77% | 0.77 | 68% | 0.676 | S | S | * | * | | | trans | -119.5 | 65.6 | -174.4 | -158.5 | 2 | 0 | 0 | 0 | 111.3 | P24 | P24-N26 VanDerWaalsContact C-N 3.33Å; P24-N26 PolarHBondContact O-N 3.3Å |
| 27 | N | 47.1 | Very low | 57.7 | Low | 151 Ų | 151 | 119.2 Ų | 119.2 | 81% | 0.807 | 69% | 0.687 | S | S | * | * | | | trans | -150.9 | 90.9 | 179.6 | -97.3 | -39.9 | 0 | 0 | 0 | 111.9 | | |
| 28 | T | 41.7 | Very low | 54.9 | Low | 145 Ų | 145 | 121.5 Ų | 121.5 | 89% | 0.89 | 70% | 0.701 | S | S | * | * | | | trans | -132.4 | 84.2 | 160.3 | 34.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 29 | N | 41.1 | Very low | 52.3 | Low | 136 Ų | 136 | 122.9 Ų | 122.9 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | | | trans | -106.8 | 95.8 | -179.8 | -158 | 2.7 | 0 | 0 | 0 | 108.9 | | |
| 30 | V | 42.1 | Very low | 49.9 | Very low | 135 Ų | 135 | 122 Ų | 122 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | | | trans | -100.8 | 120.2 | -180 | -179.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 31 | I | 41.8 | Very low | 47.6 | Very low | 150 Ų | 150 | 125 Ų | 125 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | | | trans | -110.8 | 124.9 | -171.8 | -63.3 | 175.7 | 0 | 0 | 0 | 110.5 | | |
| 32 | G | 37.6 | Very low | 45 | Very low | 66 Ų | 66 | 123.6 Ų | 123.6 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | | | trans | 99.2 | 146.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 33 | N | 39.1 | Very low | 42.7 | Very low | 131 Ų | 131 | 127 Ų | 127 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | | | cis | -156.5 | 165.3 | -7.8 | 61.1 | 35.5 | 0 | 0 | 0 | 113.2 | | |
| 34 | T | 37.8 | Very low | 40.7 | Very low | 115 Ų | 115 | 128 Ų | 128 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | 74.6 | 143.3 | 152.9 | -27.1 | 0 | 0 | 0 | 0 | 120.6 | | |
| 35 | T | 39.5 | Very low | 39.6 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | | | trans | 84.8 | 98.9 | 160.3 | -24.7 | 0 | 0 | 0 | 0 | 118 | | |
| 36 | V | 35.9 | Very low | 38.5 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 78% | 0.782 | 75% | 0.745 | S | S | * | * | | | trans | -53 | 140.6 | 168.4 | 177.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 37 | T | 37.4 | Very low | 37.8 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 76% | 0.761 | 75% | 0.746 | S | S | * | * | | | trans | -141.1 | 130.2 | 150.1 | -67.8 | 0 | 0 | 0 | 0 | 108.6 | I39 | T37-I39 PolarHBondContact O-N 2.71Š|
| 38 | T | 35.1 | Very low | 37.5 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 72% | 0.724 | 75% | 0.745 | S | S | * | * | | | trans | -71.4 | 115.1 | -175.5 | -54.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 39 | I | 35 | Very low | 37.4 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | | | trans | -101.8 | 99.4 | 168.4 | -60.3 | -178.4 | 0 | 0 | 0 | 108.8 | T37 I41 | T37-I39 PolarHBondContact O-N 2.71Å; I39-I41 PolarHBondContact O-N 3.04Å |
| 40 | T | 35.8 | Very low | 37.1 | Very low | 105 Ų | 105 | 124.5 Ų | 124.5 | 64% | 0.644 | 74% | 0.736 | S | S | * | * | | | trans | -67.3 | 119 | 168.8 | -55.6 | 0 | 0 | 0 | 0 | 109.3 | T42 | T40-T42 VanDerWaalsContact C-N 3.28Å; T40-T42 PolarHBondContact O-N 2.97Å |
| 41 | I | 38.2 | Very low | 36.8 | Very low | 155 Ų | 155 | 124.7 Ų | 124.7 | 80% | 0.795 | 74% | 0.738 | S | S | * | * | | | trans | -79.3 | 81.9 | 171.3 | -54.9 | 179.4 | 0 | 0 | 0 | 108.4 | I39 | I39-I41 PolarHBondContact O-N 3.04Š|
| 42 | T | 34.9 | Very low | 36.4 | Very low | 95 Ų | 95 | 122.2 Ų | 122.2 | 58% | 0.583 | 74% | 0.74 | S | S | * | * | | | trans | -76.4 | 121.5 | 169.8 | -53.6 | 0 | 0 | 0 | 0 | 109.2 | T40 T44 | T40-T42 VanDerWaalsContact C-N 3.28Å; T40-T42 PolarHBondContact O-N 2.97Å; T42-T44 VanDerWaalsContact C-N 3.31Å; T42-T44 WeakPolarHBondContact CG2-OG1 3.33Å; T42-T44 PolarHBondContact O-N 3.33Å |
| 43 | N | 33.8 | Very low | 36.2 | Very low | 158 Ų | 158 | 130.4 Ų | 130.4 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | | | trans | -70 | 87.2 | 167.6 | -88.8 | -15.2 | 0 | 0 | 0 | 109.7 | | |
| 44 | T | 35.3 | Very low | 36.1 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 62% | 0.62 | 75% | 0.751 | S | S | * | * | | | trans | -97.8 | 97.6 | 175.3 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | T42 T46 | T42-T44 VanDerWaalsContact C-N 3.31Å; T42-T44 WeakPolarHBondContact CG2-OG1 3.33Å; T42-T44 PolarHBondContact O-N 3.33Å; T44-T46 PolarHBondContact O-N 2.65Å; T44-T46 PolarHBondContact O-OG1 2.93Å |
| 45 | T | 34.1 | Very low | 36.1 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | -54.2 | 108.1 | 170.6 | -55 | 0 | 0 | 0 | 0 | 110.3 | | |
| 46 | T | 36.9 | Very low | 36.1 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | | | trans | -102 | 111.3 | 176.4 | -55.7 | 0 | 0 | 0 | 0 | 109.2 | T44 I48 | T44-T46 PolarHBondContact O-N 2.65Å; T44-T46 PolarHBondContact O-OG1 2.93Å; T46-I48 HydrophobicContact CG2-CG1 4.49Å; T46-I48 PolarHBondContact O-N 3.41Å |
| 47 | H | 33.3 | Very low | 36.4 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 78% | 0.778 | 74% | 0.743 | S | S | * | * | | | trans | -69.3 | 117.7 | 176.7 | -127.7 | -92.4 | 0 | 0 | 0 | 109.7 | | |
| 48 | I | 41.4 | Very low | 36.6 | Very low | 154 Ų | 154 | 126.7 Ų | 126.7 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | | | trans | -114.4 | 92.9 | 169.1 | -55.1 | -178 | 0 | 0 | 0 | 108.3 | T46 G50 | T46-I48 HydrophobicContact CG2-CG1 4.49Å; T46-I48 PolarHBondContact O-N 3.41Å; I48-G50 PolarHBondContact O-N 3.24Å |
| 49 | T | 40.1 | Very low | 36.9 | Very low | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | | | trans | -79.6 | 111 | 171.5 | -54.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 50 | G | 34.6 | Very low | 37.1 | Very low | 60 Ų | 60 | 122.5 Ų | 122.5 | 62% | 0.619 | 71% | 0.709 | S | S | * | * | | | trans | -173.8 | 83.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | I48 | I48-G50 PolarHBondContact O-N 3.24Š|
| 51 | T | 35.2 | Very low | 37.2 | Very low | 140 Ų | 140 | 124 Ų | 124 | 86% | 0.859 | 72% | 0.718 | S | S | * | * | | | trans | 41.6 | 94.7 | 152.1 | -47.4 | 0 | 0 | 0 | 0 | 117.8 | | |
| 52 | A | 32.9 | Very low | 37.2 | Very low | 98 Ų | 98 | 122 Ų | 122 | 81% | 0.81 | 71% | 0.714 | S | S | * | * | | | trans | -63.7 | 135.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 53 | R | 34.6 | Very low | 37.4 | Very low | 238 Ų | 238 | 123.2 Ų | 123.2 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | | | trans | -130.4 | 92.5 | 169.5 | -163 | 177.8 | -170.5 | -160.5 | 1.2 | 109.7 | V55 | R53-V55 PolarHBondContact O-N 3.47Š|
| 54 | T | 36.6 | Very low | 37.6 | Very low | 118 Ų | 118 | 121.5 Ų | 121.5 | 72% | 0.724 | 72% | 0.716 | S | S | * | * | | | trans | -64.8 | 129.8 | -179.3 | -44.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 55 | V | 37.9 | Very low | 37.8 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | | | trans | -114.8 | 115.1 | 163 | 178 | 0 | 0 | 0 | 0 | 106.6 | R53 | R53-V55 PolarHBondContact O-N 3.47Š|
| 56 | T | 39.3 | Very low | 38.1 | Very low | 106 Ų | 106 | 122.9 Ų | 122.9 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | | | trans | -108.6 | 122.7 | 179.7 | -39.7 | 0 | 0 | 0 | 0 | 108.7 | T58 | T56-T58 WeakPolarHBondContact CG2-OG1 3.18Š|
| 57 | T | 42.3 | Very low | 38.2 | Very low | 105 Ų | 105 | 126.7 Ų | 126.7 | 64% | 0.644 | 73% | 0.729 | S | S | * | * | | | trans | -109.8 | 123.7 | 168.6 | -54.3 | 0 | 0 | 0 | 0 | 106.9 | T690 T691 | T57-T690 HydrophobicContact CG2-CG2 3.83Å; T57-T691 WeakPolarHBondContact CG2-OG1 3.34Å |
| 58 | T | 40.5 | Very low | 38.2 | Very low | 88 Ų | 88 | 122.9 Ų | 122.9 | 54% | 0.54 | 72% | 0.719 | S | S | . | * | | | trans | -141.3 | 126.6 | -165.5 | -49.7 | 0 | 0 | 0 | 0 | 110 | T56 T691 | T56-T58 WeakPolarHBondContact CG2-OG1 3.18Å; T58-T691 WeakPolarHBondContact O-CG2 3.34Å |
| 59 | E | 42 | Very low | 38.3 | Very low | 82 Ų | 82 | 123.1 Ų | 123.1 | 38% | 0.383 | 72% | 0.72 | S | S | . | * | | | trans | -135.3 | 157.3 | 158.2 | -104.4 | -171.5 | -166.3 | 0 | 0 | 112.4 | I689 T690 T691 | E59-I689 VanDerWaalsContact OE2-C 3.27Å; E59-T690 HydrophobicContact CB-CG2 3.78Å; E59-T690 VanDerWaalsContact CB-OG1 3.26Å; E59-T690 WeakPolarHBondContact CB-OG1 3.43Å; E59-T690 HydrophobicContact CG-CG2 3.84Å; E59-T690 WeakPolarHBondContact OE1-CA 3.25Å; E59-T690 PolarHBondContact OE1-N 3.26Å; E59-T690 PolarHBondContact OE2-N 2.72Å; E59-T690 PolarHBondContact OE2-OG1 3.13Å; E59-T691 PolarHBondContact OE1-N 3.24Å |
| 60 | P | 38.9 | Very low | 37.9 | Very low | 97 Ų | 97 | 120.4 Ų | 120.4 | 63% | 0.63 | 70% | 0.704 | S | S | * | * | | | trans | -88.9 | 135.8 | -165.3 | 34.3 | -33.5 | 0 | 0 | 0 | 112.1 | | |
| 61 | V | 38.3 | Very low | 38.1 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | | | trans | -93.1 | 104.7 | 143.8 | 177.7 | 0 | 0 | 0 | 0 | 106.3 | T63 | V61-T63 PolarHBondContact O-N 3.29Š|
| 62 | T | 38.7 | Very low | 37.9 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | | | trans | -73.6 | 117.5 | -179.2 | -47.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 63 | T | 38.5 | Very low | 38 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | | | trans | -131.6 | 108.8 | 168.6 | -7.7 | 0 | 0 | 0 | 0 | 110.1 | V61 I65 | V61-T63 PolarHBondContact O-N 3.29Å; T63-I65 PolarHBondContact O-N 2.86Å |
| 64 | T | 37.8 | Very low | 37.7 | Very low | 122 Ų | 122 | 118.5 Ų | 118.5 | 75% | 0.748 | 71% | 0.71 | S | S | * | * | | | trans | -75.8 | 115.8 | -175.4 | -50.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 65 | I | 40.8 | Very low | 37.5 | Very low | 158 Ų | 158 | 121.2 Ų | 121.2 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | | | trans | -123.9 | 115.8 | 163.8 | -60.5 | -179.1 | 0 | 0 | 0 | 107.7 | T63 | T63-I65 PolarHBondContact O-N 2.86Š|
| 66 | S | 40.3 | Very low | 37.1 | Very low | 106 Ų | 106 | 121.2 Ų | 121.2 | 74% | 0.741 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 144 | -175.9 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 67 | K | 38.6 | Very low | 36.7 | Very low | 188 Ų | 188 | 120.3 Ų | 120.3 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 144.8 | -174.6 | -62.1 | 174.7 | -179.5 | 173.8 | 0 | 112.6 | | |
| 68 | P | 33.6 | Very low | 36.2 | Very low | 88 Ų | 88 | 121.8 Ų | 121.8 | 57% | 0.571 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 146.4 | 152.8 | 33 | -32.3 | 0 | 0 | 0 | 110.2 | | |
| 69 | I | 42.4 | Very low | 35.9 | Very low | 159 Ų | 159 | 125.2 Ų | 125.2 | 82% | 0.815 | 74% | 0.744 | S | S | * | * | | | trans | -113.9 | 139 | 166.6 | -62.7 | 177.6 | 0 | 0 | 0 | 107.4 | | |
| 70 | T | 33.3 | Very low | 35.6 | Very low | 74 Ų | 74 | 125 Ų | 125 | 45% | 0.454 | 76% | 0.764 | S | S | . | * | | | trans | -127.3 | 131.9 | -175.8 | -48.8 | 0 | 0 | 0 | 0 | 109.8 | N914 | T70-N914 PolarHBondContact OG1-ND2 3.48Š|
| 71 | T | 38 | Very low | 35.4 | Very low | 130 Ų | 130 | 130 Ų | 130 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | | | trans | -137.7 | 145.6 | 170.4 | -44 | 0 | 0 | 0 | 0 | 109.3 | | |
| 72 | H | 31.3 | Very low | 35.4 | Very low | 184 Ų | 184 | 130.2 Ų | 130.2 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | | | trans | -91 | 156.1 | -167.4 | -62.1 | -102.9 | 0 | 0 | 0 | 114 | | |
| 73 | G | 34 | Very low | 35.3 | Very low | 82 Ų | 82 | 130.6 Ų | 130.6 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | -175.2 | 116 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 74 | A | 28.7 | Very low | 35.1 | Very low | 99 Ų | 99 | 132.9 Ų | 132.9 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -134.5 | 150 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 75 | I | 32.2 | Very low | 35.1 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | | | trans | -163.2 | 165 | 164.8 | -100.6 | 146.1 | 0 | 0 | 0 | 108.2 | | |
| 76 | T | 30.6 | Very low | 35.1 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -133.1 | 155.2 | -145.5 | -33.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 77 | A | 30.9 | Very low | 34.8 | Very low | 87 Ų | 87 | 135.7 Ų | 135.7 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | | | trans | 73.4 | 165.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 78 | T | 30.9 | Very low | 34.8 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | cis | -144.7 | 171.3 | 16.5 | -45.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 79 | I | 34.9 | Very low | 35 | Very low | 160 Ų | 160 | 133 Ų | 133 | 82% | 0.821 | 79% | 0.79 | S | S | * | * | | | trans | -82.4 | 154 | -169.4 | -60.4 | 151.2 | 0 | 0 | 0 | 114.4 | | |
| 80 | G | 34.6 | Very low | 34.7 | Very low | 77 Ų | 77 | 131.3 Ų | 131.3 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | -145.2 | 139.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 81 | K | 34.7 | Very low | 34.8 | Very low | 204 Ų | 204 | 133.7 Ų | 133.7 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | | | trans | -124.2 | 148.5 | -177.3 | -103.2 | -168 | 175.3 | -170 | 0 | 112 | | |
| 82 | T | 37.7 | Very low | 34.7 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | | | trans | -178.2 | 146.9 | 161.5 | -85.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 83 | T | 36.8 | Very low | 34.8 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | | | cis | -158.5 | 163.7 | -27.8 | -76.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 84 | E | 34.8 | Very low | 34.7 | Very low | 167 Ų | 167 | 132.2 Ų | 132.2 | 78% | 0.78 | 80% | 0.8 | S | S | * | * | | | trans | -84.4 | 169.8 | -176.6 | -55.8 | 165.7 | 180 | 0 | 0 | 114.8 | | |
| 85 | I | 37.9 | Very low | 35.1 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | | | | -169.6 | 149.9 | 124.6 | -99.3 | 157.2 | 0 | 0 | 0 | 111.2 | | |
| 86 | P | 41.7 | Very low | 35.1 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | | | trans | -140.5 | -153.2 | -141.1 | 45.3 | -26.5 | 0 | 0 | 0 | 117 | | |
| 87 | M | 33.8 | Very low | 35.2 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | 85.8 | 148.5 | 161.4 | -110.2 | 179.9 | 172.1 | 0 | 0 | 117.2 | | |
| 88 | I | 38.9 | Very low | 35.2 | Very low | 149 Ų | 149 | 136 Ų | 136 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | | | cis | -137.1 | 136.8 | 11.9 | -58.4 | 175.7 | 0 | 0 | 0 | 107.8 | | |
| 89 | G | 36.1 | Very low | 35.4 | Very low | 69 Ų | 69 | 137.3 Ų | 137.3 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | | 85 | 139.9 | 76.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 90 | T | 37.9 | Very low | 35.3 | Very low | 124 Ų | 124 | 135 Ų | 135 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | | | cis | -154.6 | 132.6 | 22 | 40.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 91 | T | 35.1 | Very low | 35.1 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | | | | 46.8 | 142.7 | 96.4 | 49.9 | 0 | 0 | 0 | 0 | 116.4 | | |
| 92 | V | 34.4 | Very low | 35 | Very low | 135 Ų | 135 | 134.4 Ų | 134.4 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | cis | -152.4 | 176.3 | 10.5 | -119.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 93 | S | 33.4 | Very low | 34.7 | Very low | 115 Ų | 115 | 132.8 Ų | 132.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | cis | -163 | -169.5 | 3.2 | 43.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 94 | S | 32.1 | Very low | 34.5 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | | | trans | -130.5 | 164 | 172.3 | 60.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 95 | L | 37 | Very low | 34.3 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | | | trans | -158 | 153 | 162 | -110.2 | 174.9 | 0 | 0 | 0 | 111.6 | | |
| 96 | N | 32.1 | Very low | 34 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | | | trans | -151.9 | 122.9 | -171.9 | -172.2 | 19.4 | 0 | 0 | 0 | 112.3 | | |
| 97 | S | 34 | Very low | 33.3 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | | | trans | -170.4 | 115.6 | 175.6 | 52.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 98 | I | 29.5 | Very low | 33.3 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | | | | 59.2 | 105 | 73.1 | -55.7 | 173.6 | 0 | 0 | 0 | 113.1 | | |
| 99 | I | 36.1 | Very low | 33 | Very low | 163 Ų | 163 | 129.7 Ų | 129.7 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | | | trans | 159.5 | 146 | 149.6 | -90.8 | 159.6 | 0 | 0 | 0 | 109.1 | | |
| 100 | T | 33.2 | Very low | 32.7 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 69% | 0.687 | 78% | 0.781 | S | S | * | * | | | cis | -160 | 156.2 | -33.8 | -79.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 101 | N | 29.1 | Very low | 32.6 | Very low | 146 Ų | 146 | 131.3 Ų | 131.3 | 78% | 0.781 | 78% | 0.781 | S | S | * | * | | | trans | -28.7 | 141.2 | 169.7 | -60.5 | -22.6 | 0 | 0 | 0 | 117.6 | | |
| 102 | S | 33.6 | Very low | 32.4 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | | -162.6 | 154.7 | 110.7 | -81.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 103 | S | 30.7 | Very low | 32.3 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -75.9 | 168.7 | 175.1 | 55.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 104 | I | 34.2 | Very low | 32.3 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | | -155.6 | 150.6 | 81.2 | -86.8 | 161.1 | 0 | 0 | 0 | 111.4 | | |
| 105 | I | 29.4 | Very low | 32.2 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | trans | -82.3 | 137.5 | 179.1 | -62.3 | 157.3 | 0 | 0 | 0 | 111.1 | | |
| 106 | S | 31.1 | Very low | 32.1 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | -153.9 | 130.2 | 141.7 | -122 | 0 | 0 | 0 | 0 | 111.9 | | |
| 107 | T | 28.5 | Very low | 32 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | | | trans | -92.5 | 157.1 | 175.4 | 52.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 108 | N | 32.3 | Very low | 31.9 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | | 175.9 | 139 | 115 | -84.5 | -14.5 | 0 | 0 | 0 | 114 | | |
| 109 | N | 33.2 | Very low | 32 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | 64.6 | 116.7 | 147.3 | -57.2 | -9 | 0 | 0 | 0 | 121.1 | | |
| 110 | S | 30.5 | Very low | 31.9 | Very low | 113 Ų | 113 | 134.3 Ų | 134.3 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | -64.1 | 170.8 | 153 | -42.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 111 | P | 35 | Very low | 31.7 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | | | | -137 | 165.3 | 112.1 | 38.6 | -29.9 | 0 | 0 | 0 | 114.8 | | |
| 112 | N | 30.9 | Very low | 32 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | | | trans | -63.5 | 154.2 | 170.6 | -63.1 | -53.2 | 0 | 0 | 0 | 112.3 | | |
| 113 | F | 33.7 | Very low | 31.8 | Very low | 203 Ų | 203 | 137 Ų | 137 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | | | trans | -132.7 | 126.3 | 146.9 | -94 | -83.4 | 0 | 0 | 0 | 110.8 | | |
| 114 | N | 33.5 | Very low | 31.9 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | -91.2 | 156.4 | 169.2 | -92.5 | -20 | 0 | 0 | 0 | 110.1 | | |
| 115 | N | 29.7 | Very low | 31.8 | Very low | 150 Ų | 150 | 135.7 Ų | 135.7 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | 36.4 | 109.4 | 154.6 | -64.2 | -2.9 | 0 | 0 | 0 | 118.5 | | |
| 116 | S | 33.8 | Very low | 31.9 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 88% | 0.881 | 79% | 0.79 | S | S | * | * | | | | -158.9 | 154.1 | 115.5 | -83.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 117 | S | 30.3 | Very low | 31.9 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | -69.9 | 147.2 | 175.6 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 118 | L | 33 | Very low | 32.1 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | trans | -152.8 | 145.8 | 140.7 | -139 | 73.6 | 0 | 0 | 0 | 111.1 | | |
| 119 | N | 31.2 | Very low | 32.2 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | | | trans | -67.5 | 142.6 | 170.8 | -88.5 | -10.1 | 0 | 0 | 0 | 110.6 | | |
| 120 | G | 32.9 | Very low | 32 | Very low | 69 Ų | 69 | 140.5 Ų | 140.5 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | | | trans | -170.7 | 73.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | I122 | G120-I122 PolarHBondContact O-N 2.8Š|
| 121 | T | 29.3 | Very low | 32.2 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | | | trans | -70.4 | 113.1 | 177.5 | -50 | 0 | 0 | 0 | 0 | 111.3 | | |
| 122 | I | 34.7 | Very low | 32 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -134.8 | 120.5 | 165.6 | -60.4 | -177.7 | 0 | 0 | 0 | 108.7 | G120 | G120-I122 PolarHBondContact O-N 2.8Š|
| 123 | N | 30.1 | Very low | 32.2 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | | | trans | -79 | 135.7 | 167.2 | -70.3 | -17.8 | 0 | 0 | 0 | 109.8 | | |
| 124 | T | 32.8 | Very low | 32.2 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -164.2 | 131.9 | 134 | 16.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 125 | T | 32 | Very low | 32 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | | | trans | 54.9 | 102 | 138.7 | -43.3 | 0 | 0 | 0 | 0 | 120.3 | | |
| 126 | E | 32.2 | Very low | 32.3 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | | 17.3 | 125.6 | 129.9 | -56.4 | 177.6 | 136.8 | 0 | 0 | 119.5 | | |
| 127 | F | 30.2 | Very low | 32.2 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | trans | -144.4 | 88.7 | 146.9 | -149.5 | -97.4 | 0 | 0 | 0 | 111.1 | Q129 | F127-Q129 HydrophobicContact CD1-CG 4.13Å; F127-Q129 HydrophobicContact CE1-CG 3.86Å |
| 128 | I | 33.6 | Very low | 32.6 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | | | trans | -92.7 | 104.1 | 178.9 | -56.4 | 175.7 | 0 | 0 | 0 | 109 | S130 | I128-S130 PolarHBondContact O-N 3.17Š|
| 129 | Q | 33.2 | Very low | 32.9 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | | | trans | -83.4 | 89.7 | 165.6 | -78 | -169.2 | -29.2 | 0 | 0 | 110.1 | F127 | F127-Q129 HydrophobicContact CD1-CG 4.13Å; F127-Q129 HydrophobicContact CE1-CG 3.86Å |
| 130 | S | 29.7 | Very low | 33.1 | Very low | 99 Ų | 99 | 137.3 Ų | 137.3 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | | | trans | -87 | 110.4 | 168.1 | -169.7 | 0 | 0 | 0 | 0 | 109.6 | I128 T132 | I128-S130 PolarHBondContact O-N 3.17Å; S130-T132 PolarHBondContact O-N 2.88Å |
| 131 | T | 34.7 | Very low | 33.4 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -82 | 109.2 | 172.5 | 48.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 132 | T | 31.4 | Very low | 33.9 | Very low | 136 Ų | 136 | 142.8 Ų | 142.8 | 83% | 0.834 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 138.2 | 177.8 | 35.8 | 0 | 0 | 0 | 0 | 112.5 | S130 | S130-T132 PolarHBondContact O-N 2.88Š|
| 133 | L | 34.5 | Very low | 33.9 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -96.2 | 138.3 | 166.2 | -158.6 | 66.8 | 0 | 0 | 0 | 107.8 | T135 | L133-T135 PolarHBondContact O-N 3.32Š|
| 134 | P | 33.3 | Very low | 33.9 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74 | 129.6 | -168.1 | 27.3 | -35.1 | 0 | 0 | 0 | 113.4 | | |
| 135 | T | 28.9 | Very low | 33.9 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 132.1 | 164.8 | -43.6 | 0 | 0 | 0 | 0 | 109.9 | L133 | L133-T135 PolarHBondContact O-N 3.32Š|
| 136 | V | 36.7 | Very low | 34.2 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | | | trans | -109.8 | 114.6 | 170.3 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | | |
| 137 | T | 31.5 | Very low | 34.2 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 71% | 0.706 | 79% | 0.794 | S | S | * | * | | | trans | -78 | 129.8 | 174.1 | -41.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 138 | N | 39 | Very low | 34.4 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | | | trans | -111.7 | 144.7 | 161.9 | -102.9 | -11.7 | 0 | 0 | 0 | 108.5 | | |
| 139 | N | 39.9 | Very low | 34.4 | Very low | 154 Ų | 154 | 141.2 Ų | 141.2 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | -98.7 | 139.3 | 175.2 | -68.5 | -15.7 | 0 | 0 | 0 | 109.8 | | |
| 140 | D | 34.8 | Very low | 34.2 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 84% | 0.84 | 80% | 0.795 | S | S | * | * | | | trans | -73.7 | 139.3 | 179.9 | -57.6 | -66.3 | 0 | 0 | 0 | 113.6 | | |
| 141 | I | 39.8 | Very low | 34.3 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | | | trans | -140.6 | 111.7 | 142.5 | -59.8 | -174.3 | 0 | 0 | 0 | 108.1 | | |
| 142 | N | 38.8 | Very low | 34.2 | Very low | 161 Ų | 161 | 139 Ų | 139 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 44.3 | 108.1 | 164.3 | -64.5 | -0.7 | 0 | 0 | 0 | 119.6 | | |
| 143 | G | 35.1 | Very low | 34.2 | Very low | 71 Ų | 71 | 140.3 Ų | 140.3 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | | | trans | 175.2 | 102.6 | 161.1 | 0 | 0 | 0 | 0 | 0 | 114 | T145 | G143-T145 PolarHBondContact O-N 2.63Š|
| 144 | T | 30.9 | Very low | 34.2 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 95% | 0.945 | 79% | 0.786 | S | S | * | * | | | trans | -52.6 | 127.7 | -176.1 | -14.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 145 | T | 32.3 | Very low | 34.4 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -142 | 141.6 | 170.9 | -67.1 | 0 | 0 | 0 | 0 | 109.6 | G143 | G143-T145 PolarHBondContact O-N 2.63Š|
| 146 | I | 37.2 | Very low | 34.5 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | trans | -83.9 | 130 | -176.8 | -61.8 | 169.4 | 0 | 0 | 0 | 109.9 | | |
| 147 | E | 32.1 | Very low | 34.6 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -71.2 | 137.6 | 177.5 | -67.6 | -169.3 | 113.5 | 0 | 0 | 112.7 | | |
| 148 | Y | 34.6 | Very low | 34.7 | Very low | 219 Ų | 219 | 139.6 Ų | 139.6 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | -121.2 | 107.3 | 156.5 | -78.1 | -87 | 0 | 0 | 0 | 108.4 | S150 | Y148-S150 PolarHBondContact O-N 2.7Š|
| 149 | T | 33.2 | Very low | 34.4 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | | | trans | -73.5 | 109.2 | -176.9 | 34.2 | 0 | 0 | 0 | 0 | 111.6 | T151 | T149-T151 PolarHBondContact O-N 3.12Š|
| 150 | S | 29.4 | Very low | 34 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 80% | 0.797 | 77% | 0.772 | S | S | * | * | | | trans | -76.7 | 82 | 178.6 | 175.5 | 0 | 0 | 0 | 0 | 111.9 | Y148 T152 | Y148-S150 PolarHBondContact O-N 2.7Å; S150-T152 PolarHBondContact O-N 3.45Å; S150-T152 VanDerWaalsContact O-N 3.14Å |
| 151 | T | 31.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | trans | -68.7 | 106.6 | 178.3 | -51.3 | 0 | 0 | 0 | 0 | 111.8 | T149 L153 | T149-T151 PolarHBondContact O-N 3.12Å; T151-L153 PolarHBondContact O-N 3.31Å; T151-L153 VanDerWaalsContact O-N 3.09Å |
| 152 | T | 32.7 | Very low | 33.6 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | | | trans | -72.1 | 99.3 | 176.2 | 50.8 | 0 | 0 | 0 | 0 | 111.4 | S150 S154 | S150-T152 PolarHBondContact O-N 3.45Å; S150-T152 VanDerWaalsContact O-N 3.14Å; T152-S154 PolarHBondContact O-N 3.2Å |
| 153 | L | 32.7 | Very low | 33.5 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | | | trans | -76.4 | 101.4 | 174.7 | -83 | 158.5 | 0 | 0 | 0 | 111.5 | T151 | T151-L153 PolarHBondContact O-N 3.31Å; T151-L153 VanDerWaalsContact O-N 3.09Å |
| 154 | S | 33.3 | Very low | 33.5 | Very low | 98 Ų | 98 | 143.6 Ų | 143.6 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | | | trans | -63.6 | 149.6 | 168.2 | -65.5 | 0 | 0 | 0 | 0 | 111.7 | T152 L156 | T152-S154 PolarHBondContact O-N 3.2Å; S154-L156 PolarHBondContact O-N 3.28Å |
| 155 | P | 36.7 | Very low | 33.5 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | | | trans | -66.2 | 116.2 | 177.9 | 26.9 | -34.1 | 0 | 0 | 0 | 111.3 | I157 | P155-I157 PolarHBondContact O-N 2.92Š|
| 156 | L | 31.9 | Very low | 33.7 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | | | trans | -74.3 | 88.8 | 179.6 | -173.8 | 70.3 | 0 | 0 | 0 | 111.2 | S154 E158 | S154-L156 PolarHBondContact O-N 3.28Å; L156-E158 HydrophobicContact CG-CB 4.38Å; L156-E158 PolarHBondContact O-N 2.97Å |
| 157 | I | 38.8 | Very low | 33.8 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | | | trans | -89.3 | 88.7 | 166.6 | -57.7 | -179.8 | 0 | 0 | 0 | 107.9 | P155 H159 | P155-I157 PolarHBondContact O-N 2.92Å; I157-H159 VanDerWaalsContact C-N 3.33Å; I157-H159 PolarHBondContact O-N 3.13Å |
| 158 | E | 33.7 | Very low | 33.9 | Very low | 130 Ų | 130 | 144 Ų | 144 | 61% | 0.607 | 76% | 0.762 | S | S | * | * | | | trans | -77.3 | 76.9 | -174.8 | -165.5 | 175.1 | -143.8 | 0 | 0 | 112.4 | L156 H160 | L156-E158 HydrophobicContact CG-CB 4.38Å; L156-E158 PolarHBondContact O-N 2.97Å; E158-H160 VanDerWaalsContact C-N 3.29Å; E158-H160 VanDerWaalsContact CD-CD2 3.43Å; E158-H160 WeakPolarHBondContact CG-CD2 3.35Å; E158-H160 WeakPolarHBondContact CG-NE2 3.45Å; E158-H160 PolarHBondContact O-N 3.01Å; E158-H160 IonicContact OE1-CD2 3.4Å; E158-H160 PolarHBondContact OE1-CD2 3Å; E158-H160 IonicContact OE1-CE1 3.05Å; E158-H160 IonicContact OE1-NE2 2.73Å; E158-H160 PolarHBondContact OE1-NE2 3.5Å |
| 159 | H | 32.7 | Very low | 33.9 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | -80.6 | 69.2 | 173.5 | -105.3 | -59.7 | 0 | 0 | 0 | 111.8 | I157 N161 | I157-H159 VanDerWaalsContact C-N 3.33Å; I157-H159 PolarHBondContact O-N 3.13Å; H159-N161 PolarHBondContact O-N 3.19Å |
| 160 | H | 32.3 | Very low | 34.1 | Very low | 150 Ų | 150 | 138 Ų | 138 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | | | trans | -64.7 | 104.9 | 170.5 | -84 | -49.8 | 0 | 0 | 0 | 111.1 | E158 | E158-H160 VanDerWaalsContact C-N 3.29Å; E158-H160 VanDerWaalsContact CD-CD2 3.43Å; E158-H160 WeakPolarHBondContact CG-CD2 3.35Å; E158-H160 WeakPolarHBondContact CG-NE2 3.45Å; E158-H160 PolarHBondContact O-N 3.01Å; E158-H160 IonicContact OE1-CD2 3.4Å; E158-H160 PolarHBondContact OE1-CD2 3Å; E158-H160 IonicContact OE1-CE1 3.05Å; E158-H160 IonicContact OE1-NE2 2.73Å; E158-H160 PolarHBondContact OE1-NE2 3.5Å |
| 161 | N | 32.9 | Very low | 34.5 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | | | trans | -155.6 | 59.5 | 173.3 | -130.9 | -16.7 | 0 | 0 | 0 | 113.7 | H159 | H159-N161 PolarHBondContact O-N 3.19Š|
| 162 | H | 31.9 | Very low | 34.7 | Very low | 188 Ų | 188 | 142.1 Ų | 142.1 | 87% | 0.87 | 76% | 0.764 | S | S | * | * | | | trans | -158.7 | 109.9 | 164.7 | -119.3 | -85 | 0 | 0 | 0 | 111.9 | | |
| 163 | L | 36.9 | Very low | 34.8 | Very low | 162 Ų | 162 | 141.3 Ų | 141.3 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | | | trans | -178.4 | 157.5 | 136 | -99.3 | 160.4 | 0 | 0 | 0 | 113.5 | | |
| 164 | N | 35.9 | Very low | 35.1 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | | | trans | -53.5 | 119.5 | -161.8 | -72 | -51.9 | 0 | 0 | 0 | 119.2 | | |
| 165 | K | 31.4 | Very low | 35.3 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | | | | 39.2 | 85.2 | 98.4 | -172.3 | -165 | -179.7 | -179.4 | 0 | 116.9 | | |
| 166 | T | 36.3 | Very low | 35 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 77% | 0.767 | 77% | 0.772 | S | S | * | * | | | trans | -148.2 | 117.6 | 148 | -21.8 | 0 | 0 | 0 | 0 | 114.6 | | |
| 167 | N | 38.2 | Very low | 35.3 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | | | trans | 34.6 | 118.7 | 147.1 | -59.3 | -5.9 | 0 | 0 | 0 | 123.5 | | |
| 168 | N | 34.6 | Very low | 35 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | | 81.7 | 127.8 | 123.4 | -76.3 | -2.6 | 0 | 0 | 0 | 123.9 | | |
| 169 | S | 35.2 | Very low | 35 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | | | trans | 94.6 | 104.2 | 131.2 | -164.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 170 | S | 37.9 | Very low | 35 | Very low | 106 Ų | 106 | 146 Ų | 146 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | | | trans | 69.5 | 152.5 | 144.2 | 75.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 171 | I | 37.4 | Very low | 35 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | | | cis | -131.9 | 148.7 | 13 | -69.4 | 171.3 | 0 | 0 | 0 | 110 | | |
| 172 | N | 35.2 | Very low | 35.1 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | | | trans | -75.9 | 123 | 168.4 | -70.9 | -39.1 | 0 | 0 | 0 | 111.4 | | |
| 173 | S | 35.1 | Very low | 35.3 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | 162.4 | 111.2 | 138.8 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 174 | L | 39.7 | Very low | 35.1 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | | | | -163.6 | 142.4 | 122 | -105.3 | 161.4 | 0 | 0 | 0 | 109.2 | | |
| 175 | K | 36.8 | Very low | 35.2 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | trans | -124.1 | 135.7 | -167.6 | -172.6 | -180 | -178 | -178.3 | 0 | 109.1 | | |
| 176 | S | 31.5 | Very low | 35.6 | Very low | 109 Ų | 109 | 139.6 Ų | 139.6 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | -14.1 | 121.8 | 176.8 | -179.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 177 | T | 36.5 | Very low | 35.5 | Very low | 126 Ų | 126 | 138.7 Ų | 138.7 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | | | trans | -122 | 145.2 | 156.3 | 47.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 178 | N | 34 | Very low | 35.4 | Very low | 150 Ų | 150 | 137.1 Ų | 137.1 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | -79.1 | 129.9 | -171.9 | -54.7 | -72.7 | 0 | 0 | 0 | 111.5 | S180 | N178-S180 PolarHBondContact O-N 3.11Š|
| 179 | F | 33.2 | Very low | 35.4 | Very low | 211 Ų | 211 | 140.1 Ų | 140.1 | 93% | 0.925 | 79% | 0.79 | S | S | * | * | | | trans | -78.8 | 107.4 | 155.2 | -90.1 | -84.6 | 0 | 0 | 0 | 108.6 | | |
| 180 | S | 32.6 | Very low | 35.4 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | | | trans | -73.1 | 129.5 | -178.2 | -167 | 0 | 0 | 0 | 0 | 111.2 | N178 N182 | N178-S180 PolarHBondContact O-N 3.11Å; S180-N182 PolarHBondContact O-N 3.35Å; S180-N182 VanDerWaalsContact O-N 3.14Å |
| 181 | S | 32 | Very low | 35.1 | Very low | 111 Ų | 111 | 149.3 Ų | 149.3 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -78.4 | 92.1 | -178.4 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 182 | N | 34.7 | Very low | 35 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -105.8 | 51.7 | 168.2 | -87.6 | -11.5 | 0 | 0 | 0 | 111.8 | S180 S184 | S180-N182 PolarHBondContact O-N 3.35Å; S180-N182 VanDerWaalsContact O-N 3.14Å; N182-S184 PolarHBondContact O-N 3.05Å |
| 183 | H | 36.4 | Very low | 35.1 | Very low | 179 Ų | 179 | 144.9 Ų | 144.9 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | | | trans | -75.1 | 108.2 | 168.6 | -117.7 | -64.9 | 0 | 0 | 0 | 109.2 | T185 | H183-T185 PolarHBondContact O-N 3.34Å; H183-T185 VanDerWaalsContact O-N 3.13Å |
| 184 | S | 33.5 | Very low | 35.4 | Very low | 101 Ų | 101 | 147.2 Ų | 147.2 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | | | trans | -58.7 | 116.2 | 178.4 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | N182 N186 | N182-S184 PolarHBondContact O-N 3.05Å; S184-N186 PolarHBondContact O-N 3.05Å |
| 185 | T | 37.2 | Very low | 35.3 | Very low | 135 Ų | 135 | 139.8 Ų | 139.8 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 5.5 | -173.6 | 44.6 | 0 | 0 | 0 | 0 | 114 | H183 | H183-T185 PolarHBondContact O-N 3.34Å; H183-T185 VanDerWaalsContact O-N 3.13Å |
| 186 | N | 39.5 | Very low | 36 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 77% | 0.765 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 2.2 | -162.5 | -138.5 | 1.1 | 0 | 0 | 0 | 116.2 | S184 S188 | S184-N186 PolarHBondContact O-N 3.05Å; N186-S188 PolarHBondContact O-N 3.38Å; N186-S188 VanDerWaalsContact O-N 3.12Å |
| 187 | S | 34.1 | Very low | 37 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 71% | 0.708 | S | S | * | * | | | trans | -86.4 | 55.3 | 169.5 | -161.5 | 0 | 0 | 0 | 0 | 111.8 | R189 | S187-R189 PolarHBondContact O-N 2.92Š|
| 188 | S | 36.2 | Very low | 37.9 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | | | trans | -82.6 | 40.2 | -172.2 | -156.5 | 0 | 0 | 0 | 0 | 113.8 | N186 | N186-S188 PolarHBondContact O-N 3.38Å; N186-S188 VanDerWaalsContact O-N 3.12Å |
| 189 | R | 33.8 | Very low | 38.9 | Very low | 215 Ų | 215 | 122.8 Ų | 122.8 | 81% | 0.811 | 64% | 0.642 | S | S | * | * | | | trans | -105.3 | 56.8 | 176.2 | -134.8 | 179.8 | -162.9 | -158.2 | 4.8 | 111.9 | S187 H191 | S187-R189 PolarHBondContact O-N 2.92Å; R189-H191 PolarHBondContact O-CD2 2.92Å; R189-H191 PolarHBondContact O-N 2.73Å; R189-H191 VanDerWaalsContact O-N 3.09Å |
| 190 | R | 37 | Very low | 40.2 | Very low | 227 Ų | 227 | 112.8 Ų | 112.8 | 86% | 0.857 | 60% | 0.598 | S | S | * | * | | | trans | -54.3 | 117.5 | 171.2 | -67.7 | -170.9 | -176.1 | -155.8 | 1.6 | 109.6 | S192 | R190-S192 PolarHBondContact O-N 3.32Š|
| 191 | H | 30.5 | Very low | 41.6 | Very low | 174 Ų | 174 | 109.4 Ų | 109.4 | 81% | 0.806 | 57% | 0.573 | S | S | * | * | | | trans | -71.9 | 62.3 | 168 | -72.9 | -98.7 | 0 | 0 | 0 | 110.3 | R189 I193 | R189-H191 PolarHBondContact O-CD2 2.92Å; R189-H191 PolarHBondContact O-N 2.73Å; R189-H191 VanDerWaalsContact O-N 3.09Å; H191-I193 VanDerWaalsContact C-N 3.31Å; H191-I193 PolarHBondContact O-N 3.4Å |
| 192 | S | 36.2 | Very low | 43.4 | Very low | 78 Ų | 78 | 104.2 Ų | 104.2 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | | | trans | -73.6 | 85.9 | 179.6 | -170.6 | 0 | 0 | 0 | 0 | 109.4 | R190 K194 | R190-S192 PolarHBondContact O-N 3.32Å; S192-K194 PolarHBondContact O-N 3.19Å |
| 193 | I | 36 | Very low | 45.5 | Very low | 144 Ų | 144 | 100 Ų | 100 | 74% | 0.738 | 51% | 0.509 | S | S | * | . | | | trans | -65.1 | 83.8 | 162 | -59.3 | 178.2 | 0 | 0 | 0 | 106.3 | H191 G195 | H191-I193 VanDerWaalsContact C-N 3.31Å; H191-I193 PolarHBondContact O-N 3.4Å; I193-G195 PolarHBondContact O-N 3.34Å |
| 194 | K | 41.4 | Very low | 47.7 | Very low | 156 Ų | 156 | 93.4 Ų | 93.4 | 68% | 0.678 | 48% | 0.479 | S | S | * | . | | | trans | -81.4 | 41.4 | -166.7 | -146.6 | 167.9 | -171.4 | 172.6 | 0 | 112.5 | S192 | S192-K194 PolarHBondContact O-N 3.19Š|
| 195 | G | 38.6 | Very low | 49.9 | Very low | 19 Ų | 19 | 93 Ų | 93 | 20% | 0.196 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 158.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I193 I362 | I193-G195 PolarHBondContact O-N 3.34Å; G195-I362 CarbonylContact C-O 3.56Å; G195-I362 VanDerWaalsContact CA-O 3.23Å; G195-I362 WeakPolarHBondContact CA-O 3.47Å |
| 196 | R | 51.9 | Low | 52 | Low | 125 Ų | 125 | 90 Ų | 90 | 47% | 0.472 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 123.6 | 165.1 | -66.2 | 175.6 | 179.6 | -160.4 | -2.7 | 106.7 | I198 S259 I362 | R196-I198 HydrophobicContact CB-CG1 4.4Å; R196-I198 PolarHBondContact O-N 2.85Å; R196-S259 WeakPolarHBondContact CD-OG 3.4Å; R196-I362 PolarHBondContact N-O 2.78Å; R196-I362 PolarHBondContact O-N 3.22Å |
| 197 | V | 50.8 | Low | 54 | Low | 58 Ų | 58 | 84.3 Ų | 84.3 | 35% | 0.352 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 115.5 | 163.3 | -178 | 0 | 0 | 0 | 0 | 105.4 | L199 S259 V260 A359 L361 | V197-L199 HydrophobicContact CB-CD1 4.47Å; V197-L199 HydrophobicContact CG1-CD1 3.68Å; V197-L199 HydrophobicContact CG1-CG 4.15Å; V197-S259 WeakPolarHBondContact O-CA 3.4Å; V197-V260 PolarHBondContact N-O 2.85Å; V197-V260 PolarHBondContact O-N 2.04Å; V197-A359 HydrophobicContact CG1-CB 4.17Å; V197-L361 HydrophobicContact CG2-CD1 4.01Å |
| 198 | I | 56.8 | Low | 56.2 | Low | 20 Ų | 20 | 90.7 Ų | 90.7 | 10% | 0.103 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 95.4 | 170.3 | -60.6 | -164.7 | 0 | 0 | 0 | 106.6 | R196 L257 L258 A359 C360 I362 | R196-I198 HydrophobicContact CB-CG1 4.4Å; R196-I198 PolarHBondContact O-N 2.85Å; I198-L257 HydrophobicContact CG2-CB 4.37Å; I198-L257 HydrophobicContact CG2-CD2 3.44Å; I198-L257 VanDerWaalsContact CG2-CD2 3.44Å; I198-L258 WeakPolarHBondContact CA-O 3.47Å; I198-A359 CarbonylContact O-C 3.6Å; I198-A359 WeakPolarHBondContact O-CA 3.5Å; I198-C360 PolarHBondContact N-O 2.77Å; I198-C360 PolarHBondContact O-N 2.92Å; I198-I362 HydrophobicContact CD1-CD1 3.63Å; I198-I362 HydrophobicContact CD1-CG1 4.16Å; I198-I362 HydrophobicContact CG1-CD1 4.32Å; I198-I362 HydrophobicContact CG1-CG1 4.32Å |
| 199 | L | 54.8 | Low | 58 | Low | 15 Ų | 15 | 89.6 Ų | 89.6 | 8% | 0.079 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 137.7 | 164.1 | -64.4 | 97 | 0 | 0 | 0 | 107.7 | V197 H256 L258 V260 L269 Y281 I342 A359 | V197-L199 HydrophobicContact CB-CD1 4.47Å; V197-L199 HydrophobicContact CG1-CD1 3.68Å; V197-L199 HydrophobicContact CG1-CG 4.15Å; L199-H256 VanDerWaalsContact O-O 3.09Å; L199-L258 HydrophobicContact CB-CB 4.14Å; L199-L258 PolarHBondContact N-O 2.89Å; L199-L258 WeakPolarHBondContact O-CB 3.22Å; L199-L258 PolarHBondContact O-N 3.47Å; L199-V260 HydrophobicContact CD1-CB 4.1Å; L199-V260 HydrophobicContact CD1-CG2 3.6Å; L199-L269 HydrophobicContact CB-CD2 4.33Å; L199-L269 HydrophobicContact CD1-CD2 3.88Å; L199-L269 HydrophobicContact CD2-CD2 4.21Å; L199-L269 HydrophobicContact CG-CD2 4.37Å; L199-Y281 HydrophobicContact CD2-CD1 3.97Å; L199-Y281 HydrophobicContact CD2-CE1 4.13Å; L199-I342 HydrophobicContact CD2-CD1 4.04Å; L199-A359 HydrophobicContact CB-CB 4.44Å; L199-A359 HydrophobicContact CG-CB 3.94Å |
| 200 | A | 59.9 | Low | 59.9 | Low | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 88.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | T202 H256 Y358 | A200-T202 HydrophobicContact CB-CG2 3.62Å; A200-T202 VanDerWaalsContact O-CB 3.31Å; A200-T202 WeakPolarHBondContact O-CB 3.48Å; A200-T202 WeakPolarHBondContact O-CG2 3.41Å; A200-T202 PolarHBondContact O-N 3.36Å; A200-T202 VanDerWaalsContact O-N 3.08Å; A200-T202 PolarHBondContact O-OG1 3.39Å; A200-H256 WeakPolarHBondContact CA-O 3.3Å; A200-Y358 CarbonylContact C-O 3.52Å; A200-Y358 HydrophobicContact CB-CD2 4.16Å; A200-Y358 HydrophobicContact CB-CE2 3.65Å; A200-Y358 PolarHBondContact N-O 2.85Å |
| 201 | T | 61.8 | Low | 62 | Low | 32 Ų | 32 | 74.7 Ų | 74.7 | 20% | 0.196 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.9 | 113.2 | 165.2 | 46.8 | 0 | 0 | 0 | 0 | 107.4 | G255 H256 M273 Y281 | T201-G255 WeakPolarHBondContact O-CA 3.25Å; T201-H256 PolarHBondContact O-N 2.9Å; T201-M273 HydrophobicContact CG2-SD 4.05Å; T201-Y281 HydrophobicContact CG2-CE1 4.14Å |
| 202 | T | 70.8 | Confident | 64.4 | Low | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 155.3 | -157.4 | 40.2 | 0 | 0 | 0 | 0 | 112 | A200 G211 Q254 Y358 | A200-T202 HydrophobicContact CB-CG2 3.62Å; A200-T202 VanDerWaalsContact O-CB 3.31Å; A200-T202 WeakPolarHBondContact O-CB 3.48Å; A200-T202 WeakPolarHBondContact O-CG2 3.41Å; A200-T202 PolarHBondContact O-N 3.36Å; A200-T202 VanDerWaalsContact O-N 3.08Å; A200-T202 PolarHBondContact O-OG1 3.39Å; T202-G211 WeakPolarHBondContact O-CA 3.39Å; T202-G211 PolarHBondContact O-N 3.38Å; T202-Q254 CarbonylContact C-O 3.53Å; T202-Q254 WeakPolarHBondContact CA-O 3.41Å; T202-Y358 HydrophobicContact CG2-CD1 4.48Å; T202-Y358 HydrophobicContact CG2-CE1 3.64Å; T202-Y358 HydrophobicContact CG2-CE2 4.49Å; T202-Y358 WeakPolarHBondContact CG2-OH 3.49Å; T202-Y358 WeakPolarHBondContact OG1-CD1 3.3Å; T202-Y358 WeakPolarHBondContact OG1-CE1 3.38Å |
| 203 | R | 79.2 | Confident | 66.9 | Low | 68 Ų | 68 | 64 Ų | 64 | 26% | 0.257 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 160.8 | 179 | 62.9 | -174.8 | -170.7 | -176.1 | -0.9 | 109.5 | S207 V209 W210 Y253 Q254 | R203-S207 WeakPolarHBondContact CD-O 3.5Å; R203-V209 WeakPolarHBondContact CB-O 3.41Å; R203-W210 HydrophobicContact CB-CE3 4.09Å; R203-W210 HydrophobicContact CG-CE3 4.2Å; R203-W210 HydrophobicContact CG-CZ3 4.27Å; R203-Y253 CarbonylContact O-C 3.47Å; R203-Y253 VanDerWaalsContact O-CA 3.25Å; R203-Y253 WeakPolarHBondContact O-CA 3.45Å; R203-Q254 HydrophobicContact CG-CB 4.2Å; R203-Q254 PolarHBondContact N-O 3.24Å; R203-Q254 PolarHBondContact O-N 3.07Å |
| 204 | E | 82.2 | Confident | 69.1 | Low | 39 Ų | 39 | 57.4 Ų | 57.4 | 18% | 0.182 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 141.4 | 167.5 | -73 | 157.8 | 144.2 | 0 | 0 | 110.3 | G206 S207 L212 K216 L252 Y253 R355 | E204-G206 PolarHBondContact O-N 2.87Å; E204-S207 WeakPolarHBondContact O-CB 3.26Å; E204-S207 PolarHBondContact O-N 2.91Å; E204-L212 HydrophobicContact CG-CD2 3.98Å; E204-K216 WeakPolarHBondContact OE1-CD 3.44Å; E204-K216 WeakPolarHBondContact OE1-CE 3.15Å; E204-K216 IonicContact OE1-NZ 2.89Å; E204-K216 PolarHBondContact OE1-NZ 3.28Å; E204-K216 IonicContact OE2-NZ 2.69Å; E204-L252 CarbonylContact C-O 3.53Å; E204-L252 WeakPolarHBondContact CA-O 3.44Å; E204-Y253 HydrophobicContact CG-CD1 3.98Å; E204-Y253 HydrophobicContact CG-CE1 3.84Å; E204-R355 IonicContact OE2-CZ 3.81Å; E204-R355 IonicContact OE2-NH1 3.69Å; E204-R355 PolarHBondContact OE2-NH1 3.32Å; E204-R355 IonicContact OE2-NH2 2.75Å; E204-R355 PolarHBondContact OE2-NH2 2.85Å |
| 205 | Q | 78.5 | Confident | 71.2 | Confident | 94 Ų | 94 | 54.4 Ų | 54.4 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 121.8 | 179.9 | -176.7 | -179 | 47.4 | 0 | 0 | 109.9 | S207 D251 L252 Q254 | Q205-S207 VanDerWaalsContact C-N 3.31Å; Q205-D251 VanDerWaalsContact CB-O 3.29Å; Q205-D251 WeakPolarHBondContact CB-O 3.28Å; Q205-D251 PolarHBondContact OE1-O 3.34Å; Q205-L252 PolarHBondContact N-O 3.35Å; Q205-Q254 HydrophobicContact CB-CG 4.28Å; Q205-Q254 HydrophobicContact CG-CG 4.26Å |
| 206 | G | 83 | Confident | 73.5 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 73% | 0.732 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | -8.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E204 | E204-G206 PolarHBondContact O-N 2.87Š|
| 207 | S | 81.4 | Confident | 75 | Confident | 23 Ų | 23 | 50.6 Ų | 50.6 | 16% | 0.161 | 26% | 0.26 | C | S | . | . | | | trans | -67.4 | 137.3 | 171.4 | -180 | 0 | 0 | 0 | 0 | 111.1 | R203 E204 Q205 V209 | R203-S207 WeakPolarHBondContact CD-O 3.5Å; E204-S207 WeakPolarHBondContact O-CB 3.26Å; E204-S207 PolarHBondContact O-N 2.91Å; Q205-S207 VanDerWaalsContact C-N 3.31Å; S207-V209 PolarHBondContact OG-N 2.98Å; S207-V209 PolarHBondContact OG-O 3.49Å |
| 208 | R | 79.9 | Confident | 76.4 | Confident | 240 Ų | 240 | 49.8 Ų | 49.8 | 91% | 0.906 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -79.9 | -20.7 | 166.5 | -64.1 | -173.2 | 179 | -143.8 | 0.6 | 112.5 | | |
| 209 | V | 73.5 | Confident | 77.7 | Confident | 81 Ų | 81 | 52.6 Ų | 52.6 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -92.1 | 126.1 | -177.6 | -170.9 | 0 | 0 | 0 | 0 | 109.6 | R203 S207 | R203-V209 WeakPolarHBondContact CB-O 3.41Å; S207-V209 PolarHBondContact OG-N 2.98Å; S207-V209 PolarHBondContact OG-O 3.49Å |
| 210 | W | 73.8 | Confident | 78.9 | Confident | 128 Ų | 128 | 52 Ų | 52 | 49% | 0.485 | 27% | 0.265 | S | S | . | . | | | trans | -76.2 | 161.5 | 171.8 | -70.4 | 101.5 | 0 | 0 | 0 | 111.7 | R203 | R203-W210 HydrophobicContact CB-CE3 4.09Å; R203-W210 HydrophobicContact CG-CE3 4.2Å; R203-W210 HydrophobicContact CG-CZ3 4.27Å |
| 211 | G | 80.2 | Confident | 79.6 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | | | trans | 85.5 | 149.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T202 R355 L356 | T202-G211 WeakPolarHBondContact O-CA 3.39Å; T202-G211 PolarHBondContact O-N 3.38Å; G211-R355 PolarHBondContact O-NH1 2.83Å; G211-L356 CarbonylContact C-O 3.6Å; G211-L356 WeakPolarHBondContact CA-O 3.08Å |
| 212 | L | 82.9 | Confident | 80.4 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | B | Isolated β-bridge | trans | -115.4 | 154.8 | 171.3 | -63.1 | -163.8 | 0 | 0 | 0 | 109.6 | E204 K216 A217 A220 Y253 L356 Y358 | E204-L212 HydrophobicContact CG-CD2 3.98Å; L212-K216 HydrophobicContact CB-CB 3.96Å; L212-K216 HydrophobicContact CD1-CB 4.03Å; L212-K216 HydrophobicContact CG-CB 4.46Å; L212-A217 HydrophobicContact CB-CB 4.34Å; L212-A220 HydrophobicContact CD1-CB 4.23Å; L212-Y253 HydrophobicContact CD1-CD1 3.45Å; L212-Y253 VanDerWaalsContact CD1-CD1 3.45Å; L212-Y253 HydrophobicContact CD1-CD2 4.34Å; L212-Y253 HydrophobicContact CD1-CE1 3.72Å; L212-Y253 HydrophobicContact CD1-CG 3.8Å; L212-Y253 HydrophobicContact CD2-CD1 3.66Å; L212-Y253 HydrophobicContact CD2-CE1 3.96Å; L212-Y253 HydrophobicContact CG-CD1 4.25Å; L212-L356 PolarHBondContact N-O 2.9Å; L212-L356 PolarHBondContact O-N 3.22Å; L212-Y358 HydrophobicContact CB-CD1 4.24Å; L212-Y358 HydrophobicContact CB-CE1 4.4Å; L212-Y358 HydrophobicContact CD1-CD1 4.14Å; L212-Y358 HydrophobicContact CD1-CE1 3.47Å; L212-Y358 VanDerWaalsContact CD1-CE1 3.47Å; L212-Y358 HydrophobicContact CG-CD1 4.2Å; L212-Y358 HydrophobicContact CG-CE1 3.91Å |
| 213 | T | 86.8 | Confident | 80.6 | Confident | 26 Ų | 26 | 61.5 Ų | 61.5 | 16% | 0.16 | 31% | 0.305 | C | S | . | . | | | trans | -71.1 | 157.4 | 165.6 | 70.4 | 0 | 0 | 0 | 0 | 109.7 | T215 K216 A217 E353 | T213-T215 VanDerWaalsContact C-N 3.33Å; T213-T215 PolarHBondContact O-N 3.33Å; T213-K216 WeakPolarHBondContact O-CA 3.05Å; T213-K216 WeakPolarHBondContact O-CB 3.35Å; T213-K216 PolarHBondContact O-N 3.1Å; T213-K216 WeakPolarHBondContact OG1-CD 3.36Å; T213-K216 WeakPolarHBondContact OG1-CG 3.46Å; T213-A217 PolarHBondContact O-N 3.31Å; T213-E353 WeakPolarHBondContact CG2-O 3.31Å |
| 214 | A | 83.6 | Confident | 80.2 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.4 | -45.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K216 A217 E218 C337 C352 | A214-K216 VanDerWaalsContact C-N 3.27Å; A214-K216 PolarHBondContact O-N 3.42Å; A214-A217 WeakPolarHBondContact O-CB 3.43Å; A214-A217 PolarHBondContact O-N 2.91Å; A214-A217 VanDerWaalsContact O-N 3.13Å; A214-E218 WeakPolarHBondContact O-CG 3.32Å; A214-E218 PolarHBondContact O-N 2.87Å; A214-C337 WeakPolarHBondContact CB-SG 3.1Å; A214-C352 HydrophobicContact CB-CB 3.83Å; A214-C352 PolarHBondContact N-O 2.86Å |
| 215 | T | 85.3 | Confident | 79.5 | Confident | 94 Ų | 94 | 62.8 Ų | 62.8 | 58% | 0.577 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60 | -35.1 | 176.5 | -45 | 0 | 0 | 0 | 0 | 112.8 | T213 L219 | T213-T215 VanDerWaalsContact C-N 3.33Å; T213-T215 PolarHBondContact O-N 3.33Å; T215-L219 WeakPolarHBondContact O-CB 3.23Å; T215-L219 PolarHBondContact O-N 3.17Å; T215-L219 VanDerWaalsContact O-N 3.11Å |
| 216 | K | 87.3 | Confident | 79.1 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 27% | 0.27 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -76.4 | -34.7 | 177.2 | -65.8 | 175.4 | -175.1 | -178.1 | 0 | 111.3 | E204 L212 T213 A214 A220 Y253 | E204-K216 WeakPolarHBondContact OE1-CD 3.44Å; E204-K216 WeakPolarHBondContact OE1-CE 3.15Å; E204-K216 IonicContact OE1-NZ 2.89Å; E204-K216 PolarHBondContact OE1-NZ 3.28Å; E204-K216 IonicContact OE2-NZ 2.69Å; L212-K216 HydrophobicContact CB-CB 3.96Å; L212-K216 HydrophobicContact CD1-CB 4.03Å; L212-K216 HydrophobicContact CG-CB 4.46Å; T213-K216 WeakPolarHBondContact O-CA 3.05Å; T213-K216 WeakPolarHBondContact O-CB 3.35Å; T213-K216 PolarHBondContact O-N 3.1Å; T213-K216 WeakPolarHBondContact OG1-CD 3.36Å; T213-K216 WeakPolarHBondContact OG1-CG 3.46Å; A214-K216 VanDerWaalsContact C-N 3.27Å; A214-K216 PolarHBondContact O-N 3.42Å; K216-A220 WeakPolarHBondContact O-CB 3.49Å; K216-A220 PolarHBondContact O-N 3.03Å; K216-Y253 HydrophobicContact CB-CE1 4.17Å |
| 217 | A | 82.6 | Confident | 78.2 | Confident | 1 Ų | 1 | 63.6 Ų | 63.6 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.6 | -44.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | L212 T213 A214 L219 A220 C221 W282 Y358 | L212-A217 HydrophobicContact CB-CB 4.34Å; T213-A217 PolarHBondContact O-N 3.31Å; A214-A217 WeakPolarHBondContact O-CB 3.43Å; A214-A217 PolarHBondContact O-N 2.91Å; A214-A217 VanDerWaalsContact O-N 3.13Å; A217-L219 PolarHBondContact O-N 3.06Å; A217-A220 PolarHBondContact O-N 3.35Å; A217-A220 VanDerWaalsContact O-N 3.16Å; A217-C221 PolarHBondContact O-N 2.78Å; A217-C221 PolarHBondContact O-SG 2.89Å; A217-W282 HydrophobicContact CB-CE3 3.49Å; A217-W282 VanDerWaalsContact CB-CE3 3.49Å; A217-W282 HydrophobicContact CB-CZ3 3.55Å; A217-Y358 HydrophobicContact CB-CD1 3.48Å; A217-Y358 VanDerWaalsContact CB-CD1 3.48Å; A217-Y358 HydrophobicContact CB-CD2 4.4Å; A217-Y358 HydrophobicContact CB-CE1 4.12Å; A217-Y358 HydrophobicContact CB-CG 3.65Å |
| 218 | E | 80.9 | Confident | 76.8 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.7 | -50.1 | 172.2 | -75.4 | 173.6 | 177.9 | 0 | 0 | 111.2 | A214 A220 C221 H222 W282 R286 | A214-E218 WeakPolarHBondContact O-CG 3.32Å; A214-E218 PolarHBondContact O-N 2.87Å; E218-A220 VanDerWaalsContact C-N 3.27Å; E218-A220 PolarHBondContact O-N 2.97Å; E218-C221 PolarHBondContact O-N 2.94Å; E218-H222 PolarHBondContact O-CD2 3Å; E218-H222 PolarHBondContact O-N 3.43Å; E218-W282 HydrophobicContact CG-CH2 3.34Å; E218-W282 HydrophobicContact CG-CZ2 4.02Å; E218-W282 HydrophobicContact CG-CZ3 4.11Å; E218-R286 IonicContact OE1-CZ 2.72Å; E218-R286 VanDerWaalsContact OE1-CZ 3.32Å; E218-R286 IonicContact OE1-NE 3.79Å; E218-R286 PolarHBondContact OE1-NE 2.91Å; E218-R286 IonicContact OE1-NH2 3.19Å; E218-R286 PolarHBondContact OE1-NH2 3.26Å; E218-R286 IonicContact OE2-CZ 3.99Å; E218-R286 IonicContact OE2-NH2 2.69Å; E218-R286 PolarHBondContact OE2-NH2 3.05Å |
| 219 | L | 83 | Confident | 75.5 | Confident | 78 Ų | 78 | 68.2 Ų | 68.2 | 41% | 0.408 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.4 | -38.5 | 176 | 179.5 | 59.8 | 0 | 0 | 0 | 112.2 | T215 A217 R223 Y253 | T215-L219 WeakPolarHBondContact O-CB 3.23Å; T215-L219 PolarHBondContact O-N 3.17Å; T215-L219 VanDerWaalsContact O-N 3.11Å; A217-L219 PolarHBondContact O-N 3.06Å; L219-R223 WeakPolarHBondContact O-CB 3.31Å; L219-R223 VanDerWaalsContact O-CG 3.22Å; L219-R223 WeakPolarHBondContact O-CG 3.25Å; L219-R223 PolarHBondContact O-N 3.39Å; L219-Y253 HydrophobicContact CD2-CE2 4.49Å |
| 220 | A | 79.5 | Confident | 74.5 | Confident | 4 Ų | 4 | 68.3 Ų | 68.3 | 3% | 0.033 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -71.4 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L212 K216 A217 E218 R223 F224 Y253 Y358 | L212-A220 HydrophobicContact CD1-CB 4.23Å; K216-A220 WeakPolarHBondContact O-CB 3.49Å; K216-A220 PolarHBondContact O-N 3.03Å; A217-A220 PolarHBondContact O-N 3.35Å; A217-A220 VanDerWaalsContact O-N 3.16Å; E218-A220 VanDerWaalsContact C-N 3.27Å; E218-A220 PolarHBondContact O-N 2.97Å; A220-R223 WeakPolarHBondContact O-CB 3.14Å; A220-R223 PolarHBondContact O-N 3.3Å; A220-F224 VanDerWaalsContact O-CD2 3.26Å; A220-F224 WeakPolarHBondContact O-CD2 3.45Å; A220-F224 PolarHBondContact O-N 3.14Å; A220-Y253 HydrophobicContact CB-CD2 3.66Å; A220-Y253 HydrophobicContact CB-CE2 4.05Å; A220-Y253 HydrophobicContact CB-CG 4.33Å; A220-Y358 HydrophobicContact CB-CE1 4.14Å; A220-Y358 WeakPolarHBondContact CB-OH 3.41Å |
| 221 | C | 75.9 | Confident | 73.1 | Confident | 18 Ų | 18 | 64.8 Ų | 64.8 | 12% | 0.122 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 172.7 | -69 | 0 | 0 | 0 | 0 | 112 | A217 E218 R223 F224 I225 C360 | A217-C221 PolarHBondContact O-N 2.78Å; A217-C221 PolarHBondContact O-SG 2.89Å; E218-C221 PolarHBondContact O-N 2.94Å; C221-R223 PolarHBondContact O-N 2.97Å; C221-F224 PolarHBondContact O-N 3.5Å; C221-I225 WeakPolarHBondContact O-CG1 3.4Å; C221-I225 PolarHBondContact O-N 3.49Å; C221-C360 WeakPolarHBondContact CA-SG 3.44Å; C221-C360 HydrophobicContact CB-CB 3.91Å; C221-C360 WeakPolarHBondContact CB-SG 3.41Å; C221-C360 WeakPolarHBondContact SG-CB 3.41Å; C221-C360 CovalentContact SG-SG 2.04Å; C221-C360 PolarHBondContact SG-SG 3.28Å |
| 222 | H | 77.5 | Confident | 71.1 | Confident | 125 Ų | 125 | 68 Ų | 68 | 58% | 0.579 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -60 | -44 | 172.8 | -79.7 | -66.6 | 0 | 0 | 0 | 111.8 | E218 F224 I225 T226 | E218-H222 PolarHBondContact O-CD2 3Å; E218-H222 PolarHBondContact O-N 3.43Å; H222-F224 VanDerWaalsContact C-N 3.34Å; H222-F224 PolarHBondContact O-N 3.42Å; H222-I225 PolarHBondContact O-N 3.22Å; H222-T226 PolarHBondContact O-N 3.41Å; H222-T226 PolarHBondContact O-OG1 3.03Å |
| 223 | R | 76.4 | Confident | 69 | Low | 90 Ų | 90 | 71.8 Ų | 71.8 | 34% | 0.34 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.5 | -40 | 174.9 | -77.9 | 171.7 | 178.2 | -137.7 | 2.7 | 112.6 | L219 A220 C221 T226 N227 T250 | L219-R223 WeakPolarHBondContact O-CB 3.31Å; L219-R223 VanDerWaalsContact O-CG 3.22Å; L219-R223 WeakPolarHBondContact O-CG 3.25Å; L219-R223 PolarHBondContact O-N 3.39Å; A220-R223 WeakPolarHBondContact O-CB 3.14Å; A220-R223 PolarHBondContact O-N 3.3Å; C221-R223 PolarHBondContact O-N 2.97Å; R223-T226 WeakPolarHBondContact CA-OG1 3.32Å; R223-T226 PolarHBondContact O-N 2.84Å; R223-T226 PolarHBondContact O-OG1 2.95Å; R223-N227 WeakPolarHBondContact O-CB 3.33Å; R223-N227 PolarHBondContact O-N 3.28Å; R223-N227 PolarHBondContact O-ND2 3Å; R223-T250 PolarHBondContact NH1-O 3.3Å |
| 224 | F | 70.6 | Confident | 66.8 | Low | 38 Ų | 38 | 78.1 Ų | 78.1 | 17% | 0.167 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.3 | -42 | 174.9 | -80.9 | -57.2 | 0 | 0 | 0 | 112.3 | A220 C221 H222 N227 I230 L257 Y358 | A220-F224 VanDerWaalsContact O-CD2 3.26Å; A220-F224 WeakPolarHBondContact O-CD2 3.45Å; A220-F224 PolarHBondContact O-N 3.14Å; C221-F224 PolarHBondContact O-N 3.5Å; H222-F224 VanDerWaalsContact C-N 3.34Å; H222-F224 PolarHBondContact O-N 3.42Å; F224-N227 PolarHBondContact O-N 3.45Å; F224-I230 HydrophobicContact CD1-CD1 3.77Å; F224-I230 HydrophobicContact CE1-CD1 3.96Å; F224-L257 HydrophobicContact CD1-CD2 4.15Å; F224-L257 HydrophobicContact CE1-CD1 4.41Å; F224-L257 HydrophobicContact CE1-CD2 3.71Å; F224-L257 HydrophobicContact CE1-CG 4.38Å; F224-L257 HydrophobicContact CE2-CD2 4.33Å; F224-L257 HydrophobicContact CZ-CD2 3.8Å; F224-Y358 WeakPolarHBondContact CE2-OH 3.35Å |
| 225 | I | 67.8 | Low | 64.6 | Low | 96 Ų | 96 | 84.1 Ų | 84.1 | 49% | 0.492 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 176.9 | -65.4 | 164.8 | 0 | 0 | 0 | 110.9 | C221 H222 N227 | C221-I225 WeakPolarHBondContact O-CG1 3.4Å; C221-I225 PolarHBondContact O-N 3.49Å; H222-I225 PolarHBondContact O-N 3.22Å; I225-N227 VanDerWaalsContact C-N 3.28Å; I225-N227 PolarHBondContact O-N 3.03Å |
| 226 | T | 69.4 | Low | 62.2 | Low | 101 Ų | 101 | 87 Ų | 87 | 62% | 0.62 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.6 | -22 | 178.9 | 56 | 0 | 0 | 0 | 0 | 114 | H222 R223 L228 | H222-T226 PolarHBondContact O-N 3.41Å; H222-T226 PolarHBondContact O-OG1 3.03Å; R223-T226 WeakPolarHBondContact CA-OG1 3.32Å; R223-T226 PolarHBondContact O-N 2.84Å; R223-T226 PolarHBondContact O-OG1 2.95Å; T226-L228 VanDerWaalsContact C-N 3.3Å; T226-L228 PolarHBondContact O-N 3.11Å |
| 227 | N | 63.7 | Low | 59.8 | Low | 81 Ų | 81 | 92.1 Ų | 92.1 | 43% | 0.433 | 47% | 0.469 | S | S | . | . | | | trans | -77.7 | 81.4 | 177 | -91.1 | -76.6 | 0 | 0 | 0 | 110.7 | R223 F224 I225 R229 I230 T231 | R223-N227 WeakPolarHBondContact O-CB 3.33Å; R223-N227 PolarHBondContact O-N 3.28Å; R223-N227 PolarHBondContact O-ND2 3Å; F224-N227 PolarHBondContact O-N 3.45Å; I225-N227 VanDerWaalsContact C-N 3.28Å; I225-N227 PolarHBondContact O-N 3.03Å; N227-R229 PolarHBondContact O-N 3.39Å; N227-I230 HydrophobicContact CB-CD1 4.28Å; N227-I230 PolarHBondContact O-N 3.03Å; N227-T231 PolarHBondContact O-N 3.18Å; N227-T231 PolarHBondContact O-OG1 2.85Å |
| 228 | L | 51.2 | Low | 57.8 | Low | 127 Ų | 127 | 97.8 Ų | 97.8 | 67% | 0.665 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -43.1 | -28.1 | 173.9 | -84.6 | 133.4 | 0 | 0 | 0 | 114.5 | T226 I230 T231 S232 | T226-L228 VanDerWaalsContact C-N 3.3Å; T226-L228 PolarHBondContact O-N 3.11Å; L228-I230 VanDerWaalsContact C-N 3.28Å; L228-I230 PolarHBondContact O-N 3.36Å; L228-T231 WeakPolarHBondContact CA-OG1 3.26Å; L228-S232 WeakPolarHBondContact O-CB 3.42Å; L228-S232 PolarHBondContact O-N 3.14Å; L228-S232 PolarHBondContact O-OG 3.2Å |
| 229 | R | 52.6 | Low | 55.9 | Low | 232 Ų | 232 | 105.7 Ų | 105.7 | 88% | 0.875 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.8 | -20.5 | 178.2 | -152.6 | 177.4 | -161.7 | 166.1 | 7.1 | 114.3 | N227 | N227-R229 PolarHBondContact O-N 3.39Å |
| 230 | I | 52.6 | Low | 53.9 | Low | 83 Ų | 83 | 109.1 Ų | 109.1 | 43% | 0.426 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -101.8 | -35.2 | 177.6 | -59.5 | 172.2 | 0 | 0 | 0 | 110.2 | F224 N227 L228 L257 | F224-I230 HydrophobicContact CD1-CD1 3.77Å; F224-I230 HydrophobicContact CE1-CD1 3.96Å; N227-I230 HydrophobicContact CB-CD1 4.28Å; N227-I230 PolarHBondContact O-N 3.03Å; L228-I230 VanDerWaalsContact C-N 3.28Å; L228-I230 PolarHBondContact O-N 3.36Å; I230-L257 HydrophobicContact CG2-CD1 4.1Å |
| 231 | T | 44.4 | Very low | 52.4 | Low | 55 Ų | 55 | 115.3 Ų | 115.3 | 34% | 0.337 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -84.6 | -18.4 | -179.2 | 49.2 | 0 | 0 | 0 | 0 | 114.4 | N227 L228 P233 | N227-T231 PolarHBondContact O-N 3.18Å; N227-T231 PolarHBondContact O-OG1 2.85Å; L228-T231 WeakPolarHBondContact CA-OG1 3.26Å; T231-P233 WeakPolarHBondContact O-CD 3.45Å |
| 232 | S | 38.8 | Very low | 50.8 | Low | 69 Ų | 69 | 120.1 Ų | 120.1 | 48% | 0.483 | 63% | 0.628 | S | S | . | * | S | Bend | trans | -66 | 121.1 | 173.7 | -69.5 | 0 | 0 | 0 | 0 | 111.6 | L228 L234 | L228-S232 WeakPolarHBondContact O-CB 3.42Å; L228-S232 PolarHBondContact O-N 3.14Å; L228-S232 PolarHBondContact O-OG 3.2Å; S232-L234 PolarHBondContact O-N 3.23Å |
| 233 | P | 38.7 | Very low | 49.6 | Very low | 80 Ų | 80 | 118.4 Ų | 118.4 | 52% | 0.519 | 63% | 0.629 | S | S | . | * | | | trans | -81.7 | 92.4 | -174.5 | 32.8 | -35.6 | 0 | 0 | 0 | 112.5 | T231 N235 | T231-P233 WeakPolarHBondContact O-CD 3.45Å; P233-N235 PolarHBondContact O-N 2.9Å |
| 234 | L | 40.6 | Very low | 48.2 | Very low | 160 Ų | 160 | 123.3 Ų | 123.3 | 84% | 0.838 | 65% | 0.653 | S | S | * | * | | | trans | 51.2 | 24 | 155.2 | -84.7 | 149.4 | 0 | 0 | 0 | 116.8 | S232 N236 | S232-L234 PolarHBondContact O-N 3.23Å; L234-N236 PolarHBondContact O-N 2.82Å |
| 235 | N | 38.4 | Very low | 47.2 | Very low | 130 Ų | 130 | 131.5 Ų | 131.5 | 70% | 0.695 | 68% | 0.683 | S | S | * | * | | | trans | -77.7 | 121.7 | 179.7 | -163.7 | 4.7 | 0 | 0 | 0 | 109.5 | P233 Q237 | P233-N235 PolarHBondContact O-N 2.9Å; N235-Q237 PolarHBondContact O-N 3.16Å |
| 236 | N | 33.8 | Very low | 46 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 70% | 0.698 | S | S | * | * | | | trans | -75.9 | 49.1 | -172.5 | -89.6 | -25.8 | 0 | 0 | 0 | 113.4 | L234 T238 | L234-N236 PolarHBondContact O-N 2.82Å; N236-T238 PolarHBondContact O-N 3.33Å |
| 237 | Q | 37.9 | Very low | 44.9 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 79% | 0.794 | 71% | 0.707 | S | S | * | * | | | trans | -78.1 | 89.5 | 167.5 | -76.5 | -166.5 | -19.6 | 0 | 0 | 110.7 | N235 | N235-Q237 PolarHBondContact O-N 3.16Š|
| 238 | T | 40 | Very low | 44.1 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | | | trans | 10.1 | 118.3 | 149.8 | -44 | 0 | 0 | 0 | 0 | 116.6 | N236 N240 | N236-T238 PolarHBondContact O-N 3.33Å; T238-N240 PolarHBondContact O-N 3.25Å |
| 239 | K | 40.5 | Very low | 43.7 | Very low | 209 Ų | 209 | 139.7 Ų | 139.7 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -53.9 | 98.4 | 171.8 | -63.4 | 172.2 | -179.3 | 173.1 | 0 | 111.4 | | |
| 240 | N | 42 | Very low | 43.6 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | | | trans | -157.4 | 39.2 | 169.7 | -112.5 | -12.2 | 0 | 0 | 0 | 115.4 | T238 | T238-N240 PolarHBondContact O-N 3.25Š|
| 241 | V | 48.3 | Very low | 43.7 | Very low | 134 Ų | 134 | 133.5 Ų | 133.5 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | | | trans | -120.9 | 91.6 | 167 | -176 | 0 | 0 | 0 | 0 | 109.4 | S243 | V241-S243 PolarHBondContact O-N 2.95Š|
| 242 | S | 42.5 | Very low | 44.9 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 84% | 0.839 | 72% | 0.717 | S | S | * | * | | | trans | -82.3 | 14 | 179.9 | 50 | 0 | 0 | 0 | 0 | 114.1 | K244 | S242-K244 PolarHBondContact O-N 3.46Š|
| 243 | S | 51.7 | Low | 46.5 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 62% | 0.615 | 70% | 0.701 | S | S | * | * | | | trans | -69.5 | 89.1 | 179.2 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | V241 R245 | V241-S243 PolarHBondContact O-N 2.95Å; S243-R245 PolarHBondContact O-N 2.97Å |
| 244 | K | 46.2 | Very low | 48 | Very low | 193 Ų | 193 | 132.7 Ų | 132.7 | 84% | 0.839 | 69% | 0.694 | S | S | * | * | | | trans | -71.7 | 66.1 | 177.5 | -167.8 | -178.5 | -178.8 | -177.8 | 0 | 110.7 | S242 N246 | S242-K244 PolarHBondContact O-N 3.46Å; K244-N246 PolarHBondContact O-N 3.41Å |
| 245 | R | 50.3 | Low | 49.1 | Very low | 210 Ų | 210 | 126.6 Ų | 126.6 | 79% | 0.792 | 67% | 0.67 | S | S | * | * | | | trans | -58.3 | 122.4 | 172 | -83.2 | -163.2 | -85 | -170.7 | -6.1 | 109.1 | S243 L247 | S243-R245 PolarHBondContact O-N 2.97Å; R245-L247 PolarHBondContact O-N 3.19Å |
| 246 | N | 41.9 | Very low | 50.2 | Low | 151 Ų | 151 | 126.3 Ų | 126.3 | 81% | 0.807 | 66% | 0.664 | S | S | * | * | | | trans | -69.9 | 78.1 | 173.2 | -79.5 | -30.7 | 0 | 0 | 0 | 110.3 | K244 K248 | K244-N246 PolarHBondContact O-N 3.41Å; N246-K248 PolarHBondContact O-N 2.85Å; N246-K248 VanDerWaalsContact O-N 3.14Å |
| 247 | L | 47.5 | Very low | 51.3 | Low | 153 Ų | 153 | 122.9 Ų | 122.9 | 80% | 0.801 | 65% | 0.645 | S | S | * | * | | | trans | -59.1 | 111.1 | 155.5 | -72.6 | 157.2 | 0 | 0 | 0 | 106.4 | R245 | R245-L247 PolarHBondContact O-N 3.19Š|
| 248 | K | 45.7 | Very low | 52.1 | Low | 185 Ų | 185 | 116.9 Ų | 116.9 | 80% | 0.804 | 62% | 0.619 | S | S | * | * | | | trans | -55.1 | 146.2 | 169.7 | -81 | -174.1 | 173.5 | -178.2 | 0 | 108.3 | N246 T250 | N246-K248 PolarHBondContact O-N 2.85Å; N246-K248 VanDerWaalsContact O-N 3.14Å; K248-T250 PolarHBondContact O-N 3.02Å |
| 249 | A | 44.1 | Very low | 52.9 | Low | 88 Ų | 88 | 113.6 Ų | 113.6 | 73% | 0.727 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -69.9 | 66.2 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 250 | T | 49.6 | Very low | 53.7 | Low | 80 Ų | 80 | 104.3 Ų | 104.3 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | | | trans | -114.7 | 41.5 | 167.5 | 57.1 | 0 | 0 | 0 | 0 | 109.8 | R223 K248 L252 | R223-T250 PolarHBondContact NH1-O 3.3Å; K248-T250 PolarHBondContact O-N 3.02Å; T250-L252 HydrophobicContact CG2-CD1 4.45Å; T250-L252 PolarHBondContact O-N 2.94Å |
| 251 | D | 53.9 | Low | 54.3 | Low | 105 Ų | 105 | 101.8 Ų | 101.8 | 56% | 0.561 | 55% | 0.551 | S | S | * | * | | | trans | -66.2 | 54.1 | 162.2 | -72.3 | -33.5 | 0 | 0 | 0 | 109.5 | Q205 Y253 | Q205-D251 VanDerWaalsContact CB-O 3.29Å; Q205-D251 WeakPolarHBondContact CB-O 3.28Å; Q205-D251 PolarHBondContact OE1-O 3.34Å; D251-Y253 PolarHBondContact O-N 3.26Å |
| 252 | L | 70.4 | Confident | 54.6 | Low | 71 Ų | 71 | 97.4 Ų | 97.4 | 37% | 0.372 | 53% | 0.526 | S | S | . | . | | | trans | -63.8 | -14.6 | -154.5 | -140.1 | 81.8 | 0 | 0 | 0 | 113.7 | E204 Q205 T250 | E204-L252 CarbonylContact C-O 3.53Å; E204-L252 WeakPolarHBondContact CA-O 3.44Å; Q205-L252 PolarHBondContact N-O 3.35Å; T250-L252 HydrophobicContact CG2-CD1 4.45Å; T250-L252 PolarHBondContact O-N 2.94Å |
| 253 | Y | 73 | Confident | 55.3 | Low | 40 Ų | 40 | 97.6 Ų | 97.6 | 16% | 0.157 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 124.3 | -175.5 | -48.4 | -58.5 | 0 | 0 | 0 | 110.4 | R203 E204 L212 K216 L219 A220 D251 | R203-Y253 CarbonylContact O-C 3.47Å; R203-Y253 VanDerWaalsContact O-CA 3.25Å; R203-Y253 WeakPolarHBondContact O-CA 3.45Å; E204-Y253 HydrophobicContact CG-CD1 3.98Å; E204-Y253 HydrophobicContact CG-CE1 3.84Å; L212-Y253 HydrophobicContact CD1-CD1 3.45Å; L212-Y253 VanDerWaalsContact CD1-CD1 3.45Å; L212-Y253 HydrophobicContact CD1-CD2 4.34Å; L212-Y253 HydrophobicContact CD1-CE1 3.72Å; L212-Y253 HydrophobicContact CD1-CG 3.8Å; L212-Y253 HydrophobicContact CD2-CD1 3.66Å; L212-Y253 HydrophobicContact CD2-CE1 3.96Å; L212-Y253 HydrophobicContact CG-CD1 4.25Å; K216-Y253 HydrophobicContact CB-CE1 4.17Å; L219-Y253 HydrophobicContact CD2-CE2 4.49Å; A220-Y253 HydrophobicContact CB-CD2 3.66Å; A220-Y253 HydrophobicContact CB-CE2 4.05Å; A220-Y253 HydrophobicContact CB-CG 4.33Å; D251-Y253 PolarHBondContact O-N 3.26Å |
| 254 | Q | 69 | Low | 55.8 | Low | 76 Ų | 76 | 98.2 Ų | 98.2 | 36% | 0.355 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 144.7 | 165.7 | -69.7 | 178.4 | -18.7 | 0 | 0 | 108.8 | T202 R203 Q205 | T202-Q254 CarbonylContact C-O 3.53Å; T202-Q254 WeakPolarHBondContact CA-O 3.41Å; R203-Q254 HydrophobicContact CG-CB 4.2Å; R203-Q254 PolarHBondContact N-O 3.24Å; R203-Q254 PolarHBondContact O-N 3.07Å; Q205-Q254 HydrophobicContact CB-CG 4.28Å; Q205-Q254 HydrophobicContact CG-CG 4.26Å |
| 255 | G | 65 | Low | 56.5 | Low | 33 Ų | 33 | 93 Ų | 93 | 34% | 0.34 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.2 | 161.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | T201 | T201-G255 WeakPolarHBondContact O-CA 3.25Å |
| 256 | H | 60.1 | Low | 56.9 | Low | 123 Ų | 123 | 86.2 Ų | 86.2 | 57% | 0.569 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 121.4 | -179.2 | -65.7 | -89.1 | 0 | 0 | 0 | 110.7 | L199 A200 T201 L258 | L199-H256 VanDerWaalsContact O-O 3.09Å; A200-H256 WeakPolarHBondContact CA-O 3.3Å; T201-H256 PolarHBondContact O-N 2.9Å; H256-L258 PolarHBondContact O-N 2.69Å |
| 257 | L | 56.6 | Low | 57.8 | Low | 83 Ų | 83 | 83.6 Ų | 83.6 | 44% | 0.435 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 107 | -179.8 | -69.1 | 169.2 | 0 | 0 | 0 | 110.8 | I198 F224 I230 | I198-L257 HydrophobicContact CG2-CB 4.37Å; I198-L257 HydrophobicContact CG2-CD2 3.44Å; I198-L257 VanDerWaalsContact CG2-CD2 3.44Å; F224-L257 HydrophobicContact CD1-CD2 4.15Å; F224-L257 HydrophobicContact CE1-CD1 4.41Å; F224-L257 HydrophobicContact CE1-CD2 3.71Å; F224-L257 HydrophobicContact CE1-CG 4.38Å; F224-L257 HydrophobicContact CE2-CD2 4.33Å; F224-L257 HydrophobicContact CZ-CD2 3.8Å; I230-L257 HydrophobicContact CG2-CD1 4.1Å |
| 258 | L | 56.4 | Low | 58.5 | Low | 44 Ų | 44 | 82.7 Ų | 82.7 | 23% | 0.23 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 93.9 | -179 | -66.4 | 158.5 | 0 | 0 | 0 | 109.5 | I198 L199 H256 V260 L269 | I198-L258 WeakPolarHBondContact CA-O 3.47Å; L199-L258 HydrophobicContact CB-CB 4.14Å; L199-L258 PolarHBondContact N-O 2.89Å; L199-L258 WeakPolarHBondContact O-CB 3.22Å; L199-L258 PolarHBondContact O-N 3.47Å; H256-L258 PolarHBondContact O-N 2.69Å; L258-V260 PolarHBondContact O-N 3.26Å; L258-L269 HydrophobicContact CB-CD2 4.09Å; L258-L269 HydrophobicContact CD1-CD1 3.64Å; L258-L269 HydrophobicContact CD1-CD2 4.08Å; L258-L269 HydrophobicContact CD1-CG 4.49Å; L258-L269 HydrophobicContact CD2-CD1 3.85Å; L258-L269 HydrophobicContact CG-CD1 4.2Å |
| 259 | S | 56.3 | Low | 59.2 | Low | 51 Ų | 51 | 74.4 Ų | 74.4 | 36% | 0.357 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 100.2 | 178.4 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | R196 V197 | R196-S259 WeakPolarHBondContact CD-OG 3.4Å; V197-S259 WeakPolarHBondContact O-CA 3.4Å |
| 260 | V | 56.8 | Low | 60 | Low | 14 Ų | 14 | 71.7 Ų | 71.7 | 9% | 0.085 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 137.3 | 178.9 | 179.8 | 0 | 0 | 0 | 0 | 111 | V197 L199 L258 S262 E265 I266 L269 | V197-V260 PolarHBondContact N-O 2.85Å; V197-V260 PolarHBondContact O-N 2.04Å; L199-V260 HydrophobicContact CD1-CB 4.1Å; L199-V260 HydrophobicContact CD1-CG2 3.6Å; L258-V260 PolarHBondContact O-N 3.26Å; V260-S262 WeakPolarHBondContact CG1-O 3.29Å; V260-E265 HydrophobicContact CG1-CB 3.79Å; V260-I266 HydrophobicContact CG1-CB 4.41Å; V260-I266 HydrophobicContact CG1-CG1 3.49Å; V260-I266 VanDerWaalsContact CG1-CG1 3.49Å; V260-L269 HydrophobicContact CG2-CD2 3.8Å |
| 261 | T | 55.1 | Low | 60.6 | Low | 95 Ų | 95 | 73.3 Ų | 73.3 | 58% | 0.583 | 39% | 0.393 | S | S | * | . | | | trans | -134.6 | -15.2 | -170.7 | 74.9 | 0 | 0 | 0 | 0 | 114.9 | E265 | T261-E265 VanDerWaalsContact CA-OE2 3.29Å; T261-E265 WeakPolarHBondContact CA-OE2 3.34Å; T261-E265 VanDerWaalsContact CB-OE2 3.31Å; T261-E265 WeakPolarHBondContact CB-OE2 3.09Å; T261-E265 PolarHBondContact N-OE2 2.93Å; T261-E265 PolarHBondContact OG1-OE2 3.47Å |
| 262 | S | 54.6 | Low | 60.9 | Low | 42 Ų | 42 | 75.2 Ų | 75.2 | 29% | 0.294 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -133 | 167.7 | 168.2 | 85.9 | 0 | 0 | 0 | 0 | 112.4 | V260 D264 E265 I266 | V260-S262 WeakPolarHBondContact CG1-O 3.29Å; S262-D264 VanDerWaalsContact C-N 3.3Å; S262-D264 PolarHBondContact OG-N 2.88Å; S262-D264 PolarHBondContact OG-OD2 3.23Å; S262-E265 PolarHBondContact N-OE2 3.03Å; S262-E265 PolarHBondContact O-N 2.8Å; S262-E265 PolarHBondContact OG-N 2.88Å; S262-E265 VanDerWaalsContact OG-N 3.12Å; S262-I266 PolarHBondContact O-N 2.86Å |
| 263 | N | 56.7 | Low | 60 | Low | 124 Ų | 124 | 74 Ų | 74 | 66% | 0.663 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65 | -35.2 | 172.5 | -69.4 | -7.1 | 0 | 0 | 0 | 111.5 | E265 I266 I267 | N263-E265 VanDerWaalsContact C-N 3.3Å; N263-E265 PolarHBondContact O-N 3.33Å; N263-I266 WeakPolarHBondContact O-CA 3.44Å; N263-I266 WeakPolarHBondContact O-CB 3.34Å; N263-I266 PolarHBondContact O-N 3.17Å; N263-I267 WeakPolarHBondContact O-CG1 3.36Å; N263-I267 PolarHBondContact O-N 2.92Å |
| 264 | D | 62.1 | Low | 59.6 | Low | 102 Ų | 102 | 74.5 Ų | 74.5 | 55% | 0.545 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 175.5 | -33.8 | -79.6 | 0 | 0 | 0 | 111.1 | S262 I266 I267 H268 | S262-D264 VanDerWaalsContact C-N 3.3Å; S262-D264 PolarHBondContact OG-N 2.88Å; S262-D264 PolarHBondContact OG-OD2 3.23Å; D264-I266 VanDerWaalsContact C-N 3.32Å; D264-I267 PolarHBondContact O-N 3.29Å; D264-H268 WeakPolarHBondContact O-CB 3.34Å; D264-H268 PolarHBondContact O-CD2 3.36Å; D264-H268 VanDerWaalsContact O-CD2 3.28Å; D264-H268 PolarHBondContact O-N 3.24Å |
| 265 | E | 60.5 | Low | 59.1 | Low | 82 Ų | 82 | 77.8 Ų | 77.8 | 38% | 0.383 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.4 | -28 | 172.3 | -73.5 | -178.2 | 159.4 | 0 | 0 | 112.6 | V260 T261 S262 N263 L269 | V260-E265 HydrophobicContact CG1-CB 3.79Å; T261-E265 VanDerWaalsContact CA-OE2 3.29Å; T261-E265 WeakPolarHBondContact CA-OE2 3.34Å; T261-E265 VanDerWaalsContact CB-OE2 3.31Å; T261-E265 WeakPolarHBondContact CB-OE2 3.09Å; T261-E265 PolarHBondContact N-OE2 2.93Å; T261-E265 PolarHBondContact OG1-OE2 3.47Å; S262-E265 PolarHBondContact N-OE2 3.03Å; S262-E265 PolarHBondContact O-N 2.8Å; S262-E265 PolarHBondContact OG-N 2.88Å; S262-E265 VanDerWaalsContact OG-N 3.12Å; N263-E265 VanDerWaalsContact C-N 3.3Å; N263-E265 PolarHBondContact O-N 3.33Å; E265-L269 WeakPolarHBondContact O-CB 3.08Å; E265-L269 PolarHBondContact O-N 3.32Å |
| 266 | I | 59.5 | Low | 58.6 | Low | 69 Ų | 69 | 76.9 Ų | 76.9 | 35% | 0.354 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65 | -52.3 | 167 | -57.7 | 172 | 0 | 0 | 0 | 109.1 | V260 S262 N263 D264 H268 L269 V270 | V260-I266 HydrophobicContact CG1-CB 4.41Å; V260-I266 HydrophobicContact CG1-CG1 3.49Å; V260-I266 VanDerWaalsContact CG1-CG1 3.49Å; S262-I266 PolarHBondContact O-N 2.86Å; N263-I266 WeakPolarHBondContact O-CA 3.44Å; N263-I266 WeakPolarHBondContact O-CB 3.34Å; N263-I266 PolarHBondContact O-N 3.17Å; D264-I266 VanDerWaalsContact C-N 3.32Å; I266-H268 PolarHBondContact O-N 3.5Å; I266-L269 CarbonylContact O-C 3.49Å; I266-L269 WeakPolarHBondContact O-CA 2.91Å; I266-L269 WeakPolarHBondContact O-CB 3.12Å; I266-L269 PolarHBondContact O-N 3.41Å; I266-V270 HydrophobicContact CG2-CG2 4.37Å; I266-V270 VanDerWaalsContact O-CG2 3.23Å; I266-V270 WeakPolarHBondContact O-CG2 3.19Å; I266-V270 PolarHBondContact O-N 3.45Å |
| 267 | I | 60.9 | Low | 58.3 | Low | 95 Ų | 95 | 75.2 Ų | 75.2 | 49% | 0.487 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | -176.3 | -65.8 | 164.7 | 0 | 0 | 0 | 111.2 | N263 D264 L269 V270 N271 | N263-I267 WeakPolarHBondContact O-CG1 3.36Å; N263-I267 PolarHBondContact O-N 2.92Å; D264-I267 PolarHBondContact O-N 3.29Å; I267-L269 PolarHBondContact O-N 3.02Å; I267-V270 PolarHBondContact O-N 2.99Å; I267-N271 VanDerWaalsContact O-CG 3.29Å; I267-N271 PolarHBondContact O-N 3.22Å; I267-N271 PolarHBondContact O-ND2 3.45Å |
| 268 | H | 61.5 | Low | 58.3 | Low | 134 Ų | 134 | 75.9 Ų | 75.9 | 62% | 0.62 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.5 | -35.6 | 172.5 | -86.5 | -70.9 | 0 | 0 | 0 | 112.2 | D264 I266 L272 | D264-H268 WeakPolarHBondContact O-CB 3.34Å; D264-H268 PolarHBondContact O-CD2 3.36Å; D264-H268 VanDerWaalsContact O-CD2 3.28Å; D264-H268 PolarHBondContact O-N 3.24Å; I266-H268 PolarHBondContact O-N 3.5Å; H268-L272 WeakPolarHBondContact O-CB 3.41Å; H268-L272 PolarHBondContact O-N 3.36Å |
| 269 | L | 60.7 | Low | 58.2 | Low | 11 Ų | 11 | 74.6 Ų | 74.6 | 6% | 0.058 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69.5 | -39.7 | 174.4 | 176.5 | 59.2 | 0 | 0 | 0 | 112.5 | L199 L258 V260 E265 I266 I267 N271 L272 M273 | L199-L269 HydrophobicContact CB-CD2 4.33Å; L199-L269 HydrophobicContact CD1-CD2 3.88Å; L199-L269 HydrophobicContact CD2-CD2 4.21Å; L199-L269 HydrophobicContact CG-CD2 4.37Å; L258-L269 HydrophobicContact CB-CD2 4.09Å; L258-L269 HydrophobicContact CD1-CD1 3.64Å; L258-L269 HydrophobicContact CD1-CD2 4.08Å; L258-L269 HydrophobicContact CD1-CG 4.49Å; L258-L269 HydrophobicContact CD2-CD1 3.85Å; L258-L269 HydrophobicContact CG-CD1 4.2Å; V260-L269 HydrophobicContact CG2-CD2 3.8Å; E265-L269 WeakPolarHBondContact O-CB 3.08Å; E265-L269 PolarHBondContact O-N 3.32Å; I266-L269 CarbonylContact O-C 3.49Å; I266-L269 WeakPolarHBondContact O-CA 2.91Å; I266-L269 WeakPolarHBondContact O-CB 3.12Å; I266-L269 PolarHBondContact O-N 3.41Å; I267-L269 PolarHBondContact O-N 3.02Å; L269-N271 VanDerWaalsContact C-N 3.32Å; L269-N271 PolarHBondContact O-N 2.91Å; L269-L272 PolarHBondContact O-N 2.85Å; L269-M273 HydrophobicContact CD1-CE 4.24Å; L269-M273 HydrophobicContact CD1-CG 3.72Å; L269-M273 HydrophobicContact CD1-SD 3.85Å; L269-M273 HydrophobicContact CD2-CE 4.4Å; L269-M273 HydrophobicContact CG-CE 3.8Å; L269-M273 HydrophobicContact CG-CG 4.32Å; L269-M273 HydrophobicContact CG-SD 4.04Å; L269-M273 WeakPolarHBondContact O-CB 3.31Å; L269-M273 WeakPolarHBondContact O-CG 3.1Å; L269-M273 PolarHBondContact O-N 3.01Å |
| 270 | V | 60.9 | Low | 58.2 | Low | 31 Ų | 31 | 72.2 Ų | 72.2 | 19% | 0.188 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -56.3 | -51.8 | 173.1 | -169.3 | 0 | 0 | 0 | 0 | 109.5 | I266 I267 L272 M273 G274 I342 | I266-V270 HydrophobicContact CG2-CG2 4.37Å; I266-V270 VanDerWaalsContact O-CG2 3.23Å; I266-V270 WeakPolarHBondContact O-CG2 3.19Å; I266-V270 PolarHBondContact O-N 3.45Å; I267-V270 PolarHBondContact O-N 2.99Å; V270-L272 VanDerWaalsContact C-N 3.32Å; V270-L272 PolarHBondContact O-N 2.99Å; V270-M273 PolarHBondContact O-N 3.36Å; V270-G274 PolarHBondContact O-N 3.09Å; V270-I342 HydrophobicContact CB-CG2 4.13Å; V270-I342 HydrophobicContact CG1-CG2 3.82Å; V270-I342 HydrophobicContact CG2-CG2 3.3Å |
| 271 | N | 62.9 | Low | 58.8 | Low | 115 Ų | 115 | 72 Ų | 72 | 62% | 0.615 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -61.6 | -37.8 | -179.9 | -64.1 | -17.6 | 0 | 0 | 0 | 112.3 | I267 L269 G274 | I267-N271 VanDerWaalsContact O-CG 3.29Å; I267-N271 PolarHBondContact O-N 3.22Å; I267-N271 PolarHBondContact O-ND2 3.45Å; L269-N271 VanDerWaalsContact C-N 3.32Å; L269-N271 PolarHBondContact O-N 2.91Å; N271-G274 PolarHBondContact O-N 2.91Å |
| 272 | L | 59.2 | Low | 59.5 | Low | 144 Ų | 144 | 67.7 Ų | 67.7 | 75% | 0.754 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -74.6 | -28.7 | 179.2 | -174.7 | 65 | 0 | 0 | 0 | 113.3 | H268 L269 V270 G274 | H268-L272 WeakPolarHBondContact O-CB 3.41Å; H268-L272 PolarHBondContact O-N 3.36Å; L269-L272 PolarHBondContact O-N 2.85Å; V270-L272 VanDerWaalsContact C-N 3.32Å; V270-L272 PolarHBondContact O-N 2.99Å; L272-G274 PolarHBondContact O-N 3.28Å |
| 273 | M | 52.7 | Low | 60.4 | Low | 47 Ų | 47 | 67.5 Ų | 67.5 | 23% | 0.232 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -77.1 | -10.3 | 173.3 | -69.2 | -175.6 | -54.4 | 0 | 0 | 112.8 | T201 L269 V270 V276 Y281 | T201-M273 HydrophobicContact CG2-SD 4.05Å; L269-M273 HydrophobicContact CD1-CE 4.24Å; L269-M273 HydrophobicContact CD1-CG 3.72Å; L269-M273 HydrophobicContact CD1-SD 3.85Å; L269-M273 HydrophobicContact CD2-CE 4.4Å; L269-M273 HydrophobicContact CG-CE 3.8Å; L269-M273 HydrophobicContact CG-CG 4.32Å; L269-M273 HydrophobicContact CG-SD 4.04Å; L269-M273 WeakPolarHBondContact O-CB 3.31Å; L269-M273 WeakPolarHBondContact O-CG 3.1Å; L269-M273 PolarHBondContact O-N 3.01Å; V270-M273 PolarHBondContact O-N 3.36Å; M273-V276 HydrophobicContact CB-CG2 3.64Å; M273-V276 HydrophobicContact CE-CG2 3.82Å; M273-Y281 HydrophobicContact CE-CE1 4.49Å; M273-Y281 WeakPolarHBondContact CE-OH 3.46Å; M273-Y281 HydrophobicContact SD-CE1 4.48Å; M273-Y281 PolarHBondContact SD-OH 3Å |
| 274 | G | 63.6 | Low | 61.4 | Low | 49 Ų | 49 | 61.7 Ų | 61.7 | 51% | 0.505 | 35% | 0.351 | S | S | . | . | | | trans | 65.9 | -130.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V270 N271 L272 V276 | V270-G274 PolarHBondContact O-N 3.09Å; N271-G274 PolarHBondContact O-N 2.91Å; L272-G274 PolarHBondContact O-N 3.28Å; G274-V276 PolarHBondContact O-N 3.37Å |
| 275 | T | 57.9 | Low | 62.6 | Low | 145 Ų | 145 | 56.9 Ų | 56.9 | 89% | 0.89 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -72.6 | 75.1 | 171.9 | 39.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 276 | V | 56.1 | Low | 64.1 | Low | 14 Ų | 14 | 55.9 Ų | 55.9 | 9% | 0.085 | 32% | 0.318 | C | S | . | . | | | trans | -47.1 | 127 | 163.5 | 175.6 | 0 | 0 | 0 | 0 | 108.7 | M273 G274 V278 Y281 | M273-V276 HydrophobicContact CB-CG2 3.64Å; M273-V276 HydrophobicContact CE-CG2 3.82Å; G274-V276 PolarHBondContact O-N 3.37Å; V276-V278 PolarHBondContact O-N 3.43Å; V276-V278 VanDerWaalsContact O-N 3.14Å; V276-Y281 HydrophobicContact CG1-CE2 3.66Å |
| 277 | P | 54.1 | Low | 65.7 | Low | 89 Ų | 89 | 52.9 Ų | 52.9 | 58% | 0.578 | 30% | 0.303 | S | S | * | . | | | trans | -62.3 | 120.8 | 177.5 | 25.2 | -33.1 | 0 | 0 | 0 | 109.4 | G279 | P277-G279 PolarHBondContact O-N 2.96Š|
| 278 | V | 55.4 | Low | 67.3 | Low | 96 Ų | 96 | 50 Ų | 50 | 58% | 0.582 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -57.5 | 111.8 | 176.6 | -177.3 | 0 | 0 | 0 | 0 | 108.1 | V276 | V276-V278 PolarHBondContact O-N 3.43Å; V276-V278 VanDerWaalsContact O-N 3.14Å |
| 279 | G | 54.9 | Low | 68.8 | Low | 18 Ų | 18 | 44.3 Ų | 44.3 | 19% | 0.186 | 26% | 0.261 | C | S | . | . | S | Bend | trans | 139.3 | 52.7 | -163.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | P277 | P277-G279 PolarHBondContact O-N 2.96Š|
| 280 | S | 56 | Low | 70.1 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 27% | 0.274 | C | S | . | . | | | trans | 62.5 | 107.9 | 137.4 | -12.6 | 0 | 0 | 0 | 0 | 118.9 | S339 L340 Q348 R350 | S280-S339 WeakPolarHBondContact CB-OG 3.4Å; S280-L340 CarbonylContact C-O 3.59Å; S280-L340 WeakPolarHBondContact CA-O 3.27Å; S280-Q348 PolarHBondContact OG-OE1 2.96Å; S280-R350 PolarHBondContact OG-NE 3.47Å; S280-R350 PolarHBondContact OG-NH2 2.88Å |
| 281 | Y | 68.9 | Low | 71.4 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 123.4 | 171.1 | -71.7 | -114.6 | 0 | 0 | 0 | 110.6 | L199 T201 M273 V276 T283 S339 L340 I342 P357 | L199-Y281 HydrophobicContact CD2-CD1 3.97Å; L199-Y281 HydrophobicContact CD2-CE1 4.13Å; T201-Y281 HydrophobicContact CG2-CE1 4.14Å; M273-Y281 HydrophobicContact CE-CE1 4.49Å; M273-Y281 WeakPolarHBondContact CE-OH 3.46Å; M273-Y281 HydrophobicContact SD-CE1 4.48Å; M273-Y281 PolarHBondContact SD-OH 3Å; V276-Y281 HydrophobicContact CG1-CE2 3.66Å; Y281-T283 WeakPolarHBondContact O-CG2 3.34Å; Y281-T283 PolarHBondContact O-N 3.47Å; Y281-S339 CarbonylContact O-C 3.45Å; Y281-S339 WeakPolarHBondContact O-CA 3.49Å; Y281-L340 PolarHBondContact N-O 3.11Å; Y281-L340 PolarHBondContact O-N 3.46Å; Y281-I342 HydrophobicContact CD1-CD1 4.17Å; Y281-I342 HydrophobicContact CD2-CB 4.3Å; Y281-I342 HydrophobicContact CD2-CD1 3.5Å; Y281-I342 VanDerWaalsContact CD2-CD1 3.5Å; Y281-I342 HydrophobicContact CD2-CG1 3.68Å; Y281-I342 HydrophobicContact CE1-CD1 4.24Å; Y281-I342 HydrophobicContact CE2-CB 4.22Å; Y281-I342 HydrophobicContact CE2-CD1 3.62Å; Y281-I342 HydrophobicContact CE2-CG1 3.98Å; Y281-I342 HydrophobicContact CG-CD1 3.82Å; Y281-I342 HydrophobicContact CG-CG1 4.31Å; Y281-P357 CarbonylContact C-O 3.56Å; Y281-P357 WeakPolarHBondContact CA-O 3.49Å; Y281-P357 HydrophobicContact CD1-CB 3.64Å; Y281-P357 HydrophobicContact CD2-CB 4.45Å; Y281-P357 HydrophobicContact CE1-CB 3.76Å; Y281-P357 HydrophobicContact CG-CB 4.01Å |
| 282 | W | 70.9 | Confident | 72.1 | Confident | 6 Ų | 6 | 53.8 Ų | 53.8 | 2% | 0.023 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 127.4 | 173.1 | -179.8 | 59.7 | 0 | 0 | 0 | 111.5 | A217 E218 G285 L338 L356 P357 A359 | A217-W282 HydrophobicContact CB-CE3 3.49Å; A217-W282 VanDerWaalsContact CB-CE3 3.49Å; A217-W282 HydrophobicContact CB-CZ3 3.55Å; E218-W282 HydrophobicContact CG-CH2 3.34Å; E218-W282 HydrophobicContact CG-CZ2 4.02Å; E218-W282 HydrophobicContact CG-CZ3 4.11Å; W282-G285 PolarHBondContact NE1-O 3.29Å; W282-L338 VanDerWaalsContact CD1-O 3.28Å; W282-L356 HydrophobicContact CB-CB 4.09Å; W282-L356 HydrophobicContact CB-CD1 3.99Å; W282-P357 PolarHBondContact N-O 2.91Å; W282-A359 PolarHBondContact O-N 3.44Å; W282-A359 VanDerWaalsContact O-N 3.09Å |
| 283 | T | 72.1 | Confident | 72.4 | Confident | 37 Ų | 37 | 52 Ų | 52 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 7.1 | -168.6 | 60.7 | 0 | 0 | 0 | 0 | 114.8 | Y281 G285 L338 L340 W347 | Y281-T283 WeakPolarHBondContact O-CG2 3.34Å; Y281-T283 PolarHBondContact O-N 3.47Å; T283-G285 VanDerWaalsContact C-N 3.33Å; T283-L338 PolarHBondContact N-O 3.28Å; T283-L338 PolarHBondContact OG1-O 3.2Å; T283-L340 HydrophobicContact CG2-CB 3.85Å; T283-W347 HydrophobicContact CG2-CH2 4.01Å; T283-W347 HydrophobicContact CG2-CZ3 3.56Å |
| 284 | G | 79.1 | Confident | 72.7 | Confident | 3 Ų | 3 | 53.5 Ų | 53.5 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 90.3 | -10.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | W309 S310 | G284-W309 CarbonylContact O-C 3.49Å; G284-S310 WeakPolarHBondContact O-CB 3.25Å; G284-S310 PolarHBondContact O-N 3.3Å; G284-S310 PolarHBondContact O-OG 3.04Å |
| 285 | G | 87.3 | Confident | 72.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 150.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | W282 T283 L338 | W282-G285 PolarHBondContact NE1-O 3.29Å; T283-G285 VanDerWaalsContact C-N 3.33Å; G285-L338 PolarHBondContact O-N 2.93Å |
| 286 | R | 92.1 | Very high | 72.1 | Confident | 62 Ų | 62 | 61.4 Ų | 61.4 | 23% | 0.234 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 130.4 | 168.8 | -62.8 | 176.9 | 177.5 | -134.1 | 12 | 108.8 | E218 L307 K308 T335 Y336 | E218-R286 IonicContact OE1-CZ 2.72Å; E218-R286 VanDerWaalsContact OE1-CZ 3.32Å; E218-R286 IonicContact OE1-NE 3.79Å; E218-R286 PolarHBondContact OE1-NE 2.91Å; E218-R286 IonicContact OE1-NH2 3.19Å; E218-R286 PolarHBondContact OE1-NH2 3.26Å; E218-R286 IonicContact OE2-CZ 3.99Å; E218-R286 IonicContact OE2-NH2 2.69Å; E218-R286 PolarHBondContact OE2-NH2 3.05Å; R286-L307 CarbonylContact O-C 3.41Å; R286-K308 PolarHBondContact N-O 3.11Å; R286-K308 PolarHBondContact O-N 3Å; R286-T335 HydrophobicContact CB-CG2 4.03Å; R286-T335 HydrophobicContact CG-CG2 4.37Å; R286-Y336 CarbonylContact C-O 3.47Å; R286-Y336 VanDerWaalsContact CA-O 3.23Å; R286-Y336 WeakPolarHBondContact CA-O 3.15Å |
| 287 | L | 93.4 | Very high | 71.9 | Confident | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 124.8 | 171.3 | -65.7 | 171.8 | 0 | 0 | 0 | 108.7 | V305 L307 A317 L320 I322 L330 T335 Y336 L338 A349 | L287-V305 HydrophobicContact CB-CG1 4.08Å; L287-V305 HydrophobicContact CD2-CG1 4.14Å; L287-L307 HydrophobicContact CD2-CB 4.06Å; L287-L307 HydrophobicContact CD2-CD1 3.96Å; L287-A317 HydrophobicContact CD2-CB 3.73Å; L287-L320 HydrophobicContact CD2-CD1 3.97Å; L287-I322 HydrophobicContact CD1-CD1 4.5Å; L287-L330 HydrophobicContact CB-CD1 4.26Å; L287-L330 HydrophobicContact CD1-CD1 4.45Å; L287-T335 WeakPolarHBondContact O-CA 3.43Å; L287-Y336 PolarHBondContact N-O 3.24Å; L287-Y336 PolarHBondContact O-N 3.4Å; L287-L338 HydrophobicContact CD1-CD1 4.31Å; L287-A349 HydrophobicContact CD1-CB 4.1Å |
| 288 | I | 93.1 | Very high | 71.9 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 17% | 0.174 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 114.8 | -177.9 | -59.7 | 168.2 | 0 | 0 | 0 | 107 | P290 M306 K308 T335 | I288-P290 WeakPolarHBondContact O-CD 3.49Å; I288-M306 HydrophobicContact CB-CE 4.36Å; I288-M306 HydrophobicContact CD1-CE 4.23Å; I288-M306 HydrophobicContact CG2-CE 4.42Å; I288-M306 PolarHBondContact N-O 3.14Å; I288-M306 PolarHBondContact O-N 3.4Å; I288-K308 HydrophobicContact CD1-CB 4.09Å; I288-K308 HydrophobicContact CD1-CD 4.1Å; I288-T335 HydrophobicContact CG1-CG2 3.93Å |
| 289 | K | 92.7 | Very high | 71.8 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 7% | 0.065 | 38% | 0.377 | C | S | . | . | | | trans | -88 | 104.9 | 164.6 | -171 | 173.9 | -175.9 | 165 | 0 | 106.7 | K304 V305 A327 N328 L330 E332 G333 | K289-K304 WeakPolarHBondContact CG-O 3.36Å; K289-V305 HydrophobicContact CB-CG2 4.29Å; K289-V305 HydrophobicContact CG-CG2 4.35Å; K289-A327 PolarHBondContact NZ-O 2.99Å; K289-N328 PolarHBondContact NZ-O 3.41Å; K289-L330 HydrophobicContact CB-CB 4.43Å; K289-L330 HydrophobicContact CD-CB 4.13Å; K289-L330 WeakPolarHBondContact CD-O 3.31Å; K289-L330 WeakPolarHBondContact CE-O 3.44Å; K289-L330 PolarHBondContact NZ-O 3.22Å; K289-E332 HydrophobicContact CD-CG 3.78Å; K289-E332 HydrophobicContact CG-CG 4.02Å; K289-G333 WeakPolarHBondContact O-CA 3.34Å; K289-G333 PolarHBondContact O-N 2.92Å |
| 290 | P | 88.7 | Confident | 71.9 | Confident | 48 Ų | 48 | 69.6 Ų | 69.6 | 31% | 0.312 | 40% | 0.398 | S | S | . | . | | | trans | -59.7 | 147.9 | 177.1 | 27.9 | -34.3 | 0 | 0 | 0 | 109.2 | I288 H292 | I288-P290 WeakPolarHBondContact O-CD 3.49Å; P290-H292 PolarHBondContact O-N 2.96Å |
| 291 | R | 87.8 | Confident | 72.1 | Confident | 175 Ų | 175 | 73 Ų | 73 | 66% | 0.66 | 42% | 0.419 | S | S | * | . | | | trans | -67.8 | 133.3 | 167.2 | -69.3 | -172.6 | 173.8 | 173.3 | -1.1 | 108.4 | T293 E332 | R291-T293 HydrophobicContact CB-CG2 4.49Å; R291-T293 PolarHBondContact O-N 3.48Å; R291-E332 WeakPolarHBondContact CA-OE2 3.41Å; R291-E332 HydrophobicContact CG-CB 4.22Å |
| 292 | H | 77.5 | Confident | 72.3 | Confident | 133 Ų | 133 | 80.5 Ų | 80.5 | 62% | 0.616 | 46% | 0.459 | S | S | * | . | | | trans | -73.1 | 70.3 | 169.9 | -77.2 | -84.8 | 0 | 0 | 0 | 110.5 | P290 G294 E332 | P290-H292 PolarHBondContact O-N 2.96Å; H292-G294 PolarHBondContact O-N 3.03Å; H292-G294 VanDerWaalsContact O-N 3.1Å; H292-E332 IonicContact CD2-OE1 3.92Å; H292-E332 PolarHBondContact CD2-OE1 2.88Å; H292-E332 IonicContact CD2-OE2 3.92Å; H292-E332 PolarHBondContact N-OE2 3.26Å |
| 293 | T | 65.8 | Low | 72.8 | Confident | 108 Ų | 108 | 84.3 Ų | 84.3 | 66% | 0.663 | 47% | 0.474 | S | S | * | . | | | trans | -63.2 | 110.5 | 166 | 52.8 | 0 | 0 | 0 | 0 | 108 | R291 V295 | R291-T293 HydrophobicContact CB-CG2 4.49Å; R291-T293 PolarHBondContact O-N 3.48Å; T293-V295 PolarHBondContact O-N 3.47Å |
| 294 | G | 60.5 | Low | 73.5 | Confident | 77 Ų | 77 | 85.3 Ų | 85.3 | 79% | 0.794 | 48% | 0.475 | S | S | * | . | | | trans | -64.7 | 20.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | H292 | H292-G294 PolarHBondContact O-N 3.03Å; H292-G294 VanDerWaalsContact O-N 3.1Å |
| 295 | V | 55.3 | Low | 74.2 | Confident | 122 Ų | 122 | 85.5 Ų | 85.5 | 74% | 0.739 | 48% | 0.475 | S | S | * | . | | | trans | -80.4 | 116.7 | 170.3 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | T293 G297 | T293-V295 PolarHBondContact O-N 3.47Å; V295-G297 PolarHBondContact O-N 2.92Å |
| 296 | Y | 52.7 | Low | 74.5 | Confident | 239 Ų | 239 | 87.5 Ų | 87.5 | 94% | 0.937 | 49% | 0.485 | S | S | * | . | | | trans | -66.9 | 60.6 | 177.2 | -91 | -100.3 | 0 | 0 | 0 | 113 | A298 | Y296-A298 PolarHBondContact O-N 3.34Š|
| 297 | G | 52.5 | Low | 74.5 | Confident | 42 Ų | 42 | 84.5 Ų | 84.5 | 43% | 0.433 | 47% | 0.474 | S | S | . | . | | | trans | -80.6 | 109.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | V295 N299 A300 | V295-G297 PolarHBondContact O-N 2.92Å; G297-N299 PolarHBondContact O-N 2.95Å; G297-A300 PolarHBondContact O-N 3.43Å |
| 298 | A | 52.5 | Low | 74.4 | Confident | 106 Ų | 106 | 88.5 Ų | 88.5 | 88% | 0.876 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 16 | -174.2 | 0 | 0 | 0 | 0 | 0 | 117 | Y296 | Y296-A298 PolarHBondContact O-N 3.34Š|
| 299 | N | 53.9 | Low | 74.2 | Confident | 165 Ų | 165 | 90.2 Ų | 90.2 | 88% | 0.882 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | 6.3 | 171.2 | -81.4 | -45.7 | 0 | 0 | 0 | 112.9 | G297 T301 | G297-N299 PolarHBondContact O-N 2.95Å; N299-T301 PolarHBondContact O-N 2.9Å |
| 300 | A | 56.3 | Low | 73.5 | Confident | 75 Ų | 75 | 93.2 Ų | 93.2 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -62.4 | 115.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.8 | G297 N302 | G297-A300 PolarHBondContact O-N 3.43Å; A300-N302 PolarHBondContact O-N 3.31Å |
| 301 | T | 62.1 | Low | 73.1 | Confident | 73 Ų | 73 | 95.5 Ų | 95.5 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | | | trans | -61.3 | 130.4 | 176.9 | 49.1 | 0 | 0 | 0 | 0 | 109.3 | N299 W303 | N299-T301 PolarHBondContact O-N 2.9Å; T301-W303 HydrophobicContact CG2-CD2 4.37Å; T301-W303 HydrophobicContact CG2-CE3 4.3Å; T301-W303 HydrophobicContact CG2-CZ3 4.45Å; T301-W303 PolarHBondContact O-N 3.32Å |
| 302 | N | 72.7 | Confident | 73 | Confident | 165 Ų | 165 | 89.2 Ų | 89.2 | 88% | 0.882 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -65.3 | 24 | 175.7 | -61.4 | 2 | 0 | 0 | 0 | 113.8 | A300 | A300-N302 PolarHBondContact O-N 3.31Š|
| 303 | W | 80.1 | Confident | 73.5 | Confident | 87 Ų | 87 | 89.7 Ų | 89.7 | 33% | 0.33 | 51% | 0.514 | S | S | . | . | | | trans | -94.6 | 97.7 | 179.1 | -55.8 | -14.9 | 0 | 0 | 0 | 108.9 | T301 V305 M306 A315 P316 | T301-W303 HydrophobicContact CG2-CD2 4.37Å; T301-W303 HydrophobicContact CG2-CE3 4.3Å; T301-W303 HydrophobicContact CG2-CZ3 4.45Å; T301-W303 PolarHBondContact O-N 3.32Å; W303-V305 PolarHBondContact O-N 2.88Å; W303-M306 HydrophobicContact CE3-CB 4.37Å; W303-M306 HydrophobicContact CE3-CG 4.18Å; W303-M306 HydrophobicContact CZ3-CG 4.44Å; W303-A315 VanDerWaalsContact CZ3-C 3.5Å; W303-P316 HydrophobicContact CD2-CB 3.86Å; W303-P316 HydrophobicContact CE3-CB 4.48Å; W303-P316 HydrophobicContact CG-CB 3.85Å; W303-P316 HydrophobicContact CZ2-CG 4.4Å |
| 304 | K | 88.5 | Confident | 74.7 | Confident | 58 Ų | 58 | 88 Ų | 88 | 25% | 0.252 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -39.8 | -40.7 | 169.6 | -170.6 | 178.8 | -172.2 | 178.9 | 0 | 112.8 | K289 D324 A327 N328 | K289-K304 WeakPolarHBondContact CG-O 3.36Å; K304-D324 PolarHBondContact NZ-O 3.19Å; K304-D324 IonicContact NZ-OD1 3.48Å; K304-A327 HydrophobicContact CD-CB 3.86Å; K304-A327 HydrophobicContact CG-CB 4.24Å; K304-N328 WeakPolarHBondContact CE-OD1 3.44Å; K304-N328 VanDerWaalsContact NZ-CG 3.26Å; K304-N328 PolarHBondContact NZ-ND2 2.84Å; K304-N328 PolarHBondContact NZ-OD1 3.09Å |
| 305 | V | 92.7 | Very high | 76.1 | Confident | 6 Ų | 6 | 85.1 Ų | 85.1 | 4% | 0.036 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -135.3 | 130.3 | 169.6 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | L287 K289 W303 A317 A327 L330 | L287-V305 HydrophobicContact CB-CG1 4.08Å; L287-V305 HydrophobicContact CD2-CG1 4.14Å; K289-V305 HydrophobicContact CB-CG2 4.29Å; K289-V305 HydrophobicContact CG-CG2 4.35Å; W303-V305 PolarHBondContact O-N 2.88Å; V305-A317 HydrophobicContact CB-CB 3.83Å; V305-A317 HydrophobicContact CG1-CB 3.73Å; V305-A317 VanDerWaalsContact O-CB 3.3Å; V305-A317 WeakPolarHBondContact O-CB 3.44Å; V305-A317 PolarHBondContact O-N 3.2Å; V305-A327 HydrophobicContact CG2-CB 3.72Å; V305-L330 HydrophobicContact CG1-CD1 3.82Å; V305-L330 HydrophobicContact CG2-CD1 3.98Å |
| 306 | M | 93.2 | Very high | 77.8 | Confident | 42 Ų | 42 | 81.6 Ų | 81.6 | 21% | 0.207 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 125.8 | 175.6 | 174.8 | 175.1 | 53.8 | 0 | 0 | 110.5 | I288 W303 T314 | I288-M306 HydrophobicContact CB-CE 4.36Å; I288-M306 HydrophobicContact CD1-CE 4.23Å; I288-M306 HydrophobicContact CG2-CE 4.42Å; I288-M306 PolarHBondContact N-O 3.14Å; I288-M306 PolarHBondContact O-N 3.4Å; W303-M306 HydrophobicContact CE3-CB 4.37Å; W303-M306 HydrophobicContact CE3-CG 4.18Å; W303-M306 HydrophobicContact CZ3-CG 4.44Å; M306-T314 HydrophobicContact CG-CG2 4.22Å; M306-T314 HydrophobicContact SD-CG2 3.55Å; M306-T314 VanDerWaalsContact SD-CG2 3.55Å |
| 307 | L | 92.9 | Very high | 79.5 | Confident | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 124.3 | 165.6 | 173.9 | 61.5 | 0 | 0 | 0 | 109.4 | R286 L287 W309 T314 A315 I319 L320 L338 | R286-L307 CarbonylContact O-C 3.41Å; L287-L307 HydrophobicContact CD2-CB 4.06Å; L287-L307 HydrophobicContact CD2-CD1 3.96Å; L307-W309 HydrophobicContact CD2-CZ2 3.64Å; L307-W309 HydrophobicContact CG-CZ2 4.42Å; L307-T314 CarbonylContact O-C 3.49Å; L307-T314 VanDerWaalsContact O-CA 3.27Å; L307-T314 WeakPolarHBondContact O-CA 3.4Å; L307-A315 PolarHBondContact N-O 3.05Å; L307-A315 PolarHBondContact O-N 2.97Å; L307-I319 HydrophobicContact CD2-CG2 3.8Å; L307-L320 HydrophobicContact CD1-CD1 4.3Å; L307-L320 HydrophobicContact CD2-CD1 3.96Å; L307-L320 HydrophobicContact CD2-CD2 3.9Å; L307-L320 HydrophobicContact CD2-CG 3.91Å; L307-L338 HydrophobicContact CD1-CD2 3.98Å |
| 308 | K | 92 | Very high | 81.3 | Confident | 88 Ų | 88 | 75.1 Ų | 75.1 | 38% | 0.383 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 121.7 | 173.5 | -175.1 | 171.5 | -177.7 | 175.1 | 0 | 110.1 | R286 I288 R313 T314 | R286-K308 PolarHBondContact N-O 3.11Å; R286-K308 PolarHBondContact O-N 3Å; I288-K308 HydrophobicContact CD1-CB 4.09Å; I288-K308 HydrophobicContact CD1-CD 4.1Å; K308-R313 WeakPolarHBondContact CA-O 3.48Å; K308-T314 HydrophobicContact CB-CG2 4.12Å; K308-T314 HydrophobicContact CD-CG2 4.25Å; K308-T314 HydrophobicContact CG-CG2 3.94Å |
| 309 | W | 87.1 | Confident | 82.9 | Confident | 71 Ų | 71 | 75.9 Ų | 75.9 | 27% | 0.269 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 156 | 175.6 | -63.1 | 98.4 | 0 | 0 | 0 | 111.5 | G284 L307 D311 G312 R313 L338 | G284-W309 CarbonylContact O-C 3.49Å; L307-W309 HydrophobicContact CD2-CZ2 3.64Å; L307-W309 HydrophobicContact CG-CZ2 4.42Å; W309-D311 PolarHBondContact O-N 3.01Å; W309-G312 WeakPolarHBondContact O-CA 3.17Å; W309-G312 PolarHBondContact O-N 2.71Å; W309-R313 PolarHBondContact N-O 3.23Å; W309-L338 HydrophobicContact CH2-CD2 4.19Å; W309-L338 HydrophobicContact CZ3-CD2 4.48Å |
| 310 | S | 79.6 | Confident | 84.4 | Confident | 77 Ų | 77 | 70 Ų | 70 | 54% | 0.538 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -15.3 | 178.7 | 55.6 | 0 | 0 | 0 | 0 | 114.4 | G284 G312 | G284-S310 WeakPolarHBondContact O-CB 3.25Å; G284-S310 PolarHBondContact O-N 3.3Å; G284-S310 PolarHBondContact O-OG 3.04Å; S310-G312 VanDerWaalsContact C-N 3.27Å |
| 311 | D | 79.5 | Confident | 85.9 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 0.4 | 168.5 | 66.4 | 22.9 | 0 | 0 | 0 | 114.1 | W309 R313 | W309-D311 PolarHBondContact O-N 3.01Å; D311-R313 VanDerWaalsContact CG-NE 3.32Å; D311-R313 WeakPolarHBondContact OD1-CB 3.2Å; D311-R313 VanDerWaalsContact OD1-CG 3.31Å; D311-R313 WeakPolarHBondContact OD1-CG 3.47Å; D311-R313 IonicContact OD1-CZ 3.32Å; D311-R313 PolarHBondContact OD1-N 3.48Å; D311-R313 VanDerWaalsContact OD1-N 3.09Å; D311-R313 IonicContact OD1-NE 3.38Å; D311-R313 PolarHBondContact OD1-NE 3.48Å; D311-R313 IonicContact OD1-NH2 2.78Å; D311-R313 IonicContact OD2-CZ 3.95Å; D311-R313 IonicContact OD2-NE 3.02Å; D311-R313 PolarHBondContact OD2-NE 3.49Å; D311-R313 IonicContact OD2-NH2 2.79Å; D311-R313 PolarHBondContact OD2-NH2 2.99Å |
| 312 | G | 86.6 | Confident | 87.1 | Confident | 43 Ų | 43 | 67.5 Ų | 67.5 | 44% | 0.443 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 96.3 | -12.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115 | W309 S310 | W309-G312 WeakPolarHBondContact O-CA 3.17Å; W309-G312 PolarHBondContact O-N 2.71Å; S310-G312 VanDerWaalsContact C-N 3.27Å |
| 313 | R | 86.4 | Confident | 87.9 | Confident | 142 Ų | 142 | 62.9 Ų | 62.9 | 54% | 0.536 | 34% | 0.339 | S | S | . | . | | | trans | -66.6 | 137.7 | -179.1 | -68.6 | -179.7 | -68 | 150.7 | -1.3 | 112 | K308 W309 D311 | K308-R313 WeakPolarHBondContact CA-O 3.48Å; W309-R313 PolarHBondContact N-O 3.23Å; D311-R313 VanDerWaalsContact CG-NE 3.32Å; D311-R313 WeakPolarHBondContact OD1-CB 3.2Å; D311-R313 VanDerWaalsContact OD1-CG 3.31Å; D311-R313 WeakPolarHBondContact OD1-CG 3.47Å; D311-R313 IonicContact OD1-CZ 3.32Å; D311-R313 PolarHBondContact OD1-N 3.48Å; D311-R313 VanDerWaalsContact OD1-N 3.09Å; D311-R313 IonicContact OD1-NE 3.38Å; D311-R313 PolarHBondContact OD1-NE 3.48Å; D311-R313 IonicContact OD1-NH2 2.78Å; D311-R313 IonicContact OD2-CZ 3.95Å; D311-R313 IonicContact OD2-NE 3.02Å; D311-R313 PolarHBondContact OD2-NE 3.49Å; D311-R313 IonicContact OD2-NH2 2.79Å; D311-R313 PolarHBondContact OD2-NH2 2.99Å |
| 314 | T | 90.9 | Very high | 88.3 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 146.4 | 176.9 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | M306 L307 K308 | M306-T314 HydrophobicContact CG-CG2 4.22Å; M306-T314 HydrophobicContact SD-CG2 3.55Å; M306-T314 VanDerWaalsContact SD-CG2 3.55Å; L307-T314 CarbonylContact O-C 3.49Å; L307-T314 VanDerWaalsContact O-CA 3.27Å; L307-T314 WeakPolarHBondContact O-CA 3.4Å; K308-T314 HydrophobicContact CB-CG2 4.12Å; K308-T314 HydrophobicContact CD-CG2 4.25Å; K308-T314 HydrophobicContact CG-CG2 3.94Å |
| 315 | A | 90.3 | Very high | 88.4 | Confident | 16 Ų | 16 | 64.8 Ų | 64.8 | 13% | 0.132 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 159.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | W303 L307 I319 | W303-A315 VanDerWaalsContact CZ3-C 3.5Å; L307-A315 PolarHBondContact N-O 3.05Å; L307-A315 PolarHBondContact O-N 2.97Å; A315-I319 HydrophobicContact CB-CG2 4.42Å |
| 316 | P | 91.3 | Very high | 88.3 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 31% | 0.312 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 136 | 167 | 27.7 | -33 | 0 | 0 | 0 | 109.5 | W303 K318 I319 | W303-P316 HydrophobicContact CD2-CB 3.86Å; W303-P316 HydrophobicContact CE3-CB 4.48Å; W303-P316 HydrophobicContact CG-CB 3.85Å; W303-P316 HydrophobicContact CZ2-CG 4.4Å; P316-K318 PolarHBondContact O-N 3.23Å; P316-K318 VanDerWaalsContact O-N 3.08Å; P316-I319 VanDerWaalsContact O-CG2 3.28Å; P316-I319 WeakPolarHBondContact O-CG2 3.45Å; P316-I319 PolarHBondContact O-N 2.88Å |
| 317 | A | 89.7 | Confident | 88.2 | Confident | 2 Ų | 2 | 66.4 Ų | 66.4 | 2% | 0.017 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -62 | -20.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L287 V305 I319 L320 I322 | L287-A317 HydrophobicContact CD2-CB 3.73Å; V305-A317 HydrophobicContact CB-CB 3.83Å; V305-A317 HydrophobicContact CG1-CB 3.73Å; V305-A317 VanDerWaalsContact O-CB 3.3Å; V305-A317 WeakPolarHBondContact O-CB 3.44Å; V305-A317 PolarHBondContact O-N 3.2Å; A317-I319 PolarHBondContact O-N 2.84Å; A317-L320 WeakPolarHBondContact O-CB 3.23Å; A317-L320 PolarHBondContact O-N 2.98Å; A317-I322 VanDerWaalsContact C-CG2 3.4Å; A317-I322 HydrophobicContact CB-CG2 3.79Å; A317-I322 VanDerWaalsContact O-CG2 3.31Å; A317-I322 WeakPolarHBondContact O-CG2 3.34Å |
| 318 | K | 88.8 | Confident | 88.1 | Confident | 143 Ų | 143 | 70.3 Ų | 70.3 | 62% | 0.622 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -53.3 | -20.7 | 173.3 | -162.5 | 156.4 | -169.7 | 148.7 | 0 | 114 | P316 L320 G321 D324 | P316-K318 PolarHBondContact O-N 3.23Å; P316-K318 VanDerWaalsContact O-N 3.08Å; K318-L320 PolarHBondContact O-N 2.9Å; K318-G321 PolarHBondContact O-N 3.25Å; K318-G321 VanDerWaalsContact O-N 3.1Å; K318-D324 IonicContact NZ-OD2 3.2Å; K318-D324 PolarHBondContact NZ-OD2 3.32Å |
| 319 | I | 86.5 | Confident | 88 | Confident | 123 Ų | 123 | 72.2 Ų | 72.2 | 63% | 0.631 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -62.8 | -18.7 | 171.3 | -159.8 | 170.6 | 0 | 0 | 0 | 113.8 | L307 A315 P316 A317 | L307-I319 HydrophobicContact CD2-CG2 3.8Å; A315-I319 HydrophobicContact CB-CG2 4.42Å; P316-I319 VanDerWaalsContact O-CG2 3.28Å; P316-I319 WeakPolarHBondContact O-CG2 3.45Å; P316-I319 PolarHBondContact O-N 2.88Å; A317-I319 PolarHBondContact O-N 2.84Å |
| 320 | L | 85.8 | Confident | 88.3 | Confident | 40 Ų | 40 | 69.6 Ų | 69.6 | 21% | 0.209 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -92 | -0.5 | 176.6 | -56.5 | 176.3 | 0 | 0 | 0 | 113.3 | L287 L307 A317 K318 I322 L338 | L287-L320 HydrophobicContact CD2-CD1 3.97Å; L307-L320 HydrophobicContact CD1-CD1 4.3Å; L307-L320 HydrophobicContact CD2-CD1 3.96Å; L307-L320 HydrophobicContact CD2-CD2 3.9Å; L307-L320 HydrophobicContact CD2-CG 3.91Å; A317-L320 WeakPolarHBondContact O-CB 3.23Å; A317-L320 PolarHBondContact O-N 2.98Å; K318-L320 PolarHBondContact O-N 2.9Å; L320-I322 VanDerWaalsContact C-N 3.28Å; L320-L338 HydrophobicContact CD1-CD1 3.7Å; L320-L338 HydrophobicContact CD1-CD2 3.73Å; L320-L338 HydrophobicContact CD1-CG 4.36Å; L320-L338 HydrophobicContact CD2-CD2 4.04Å |
| 321 | G | 88.3 | Confident | 88.9 | Confident | 63 Ų | 63 | 68.2 Ų | 68.2 | 65% | 0.649 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 14.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K318 T323 | K318-G321 PolarHBondContact O-N 3.25Å; K318-G321 VanDerWaalsContact O-N 3.1Å; G321-T323 PolarHBondContact O-N 3.16Å |
| 322 | I | 86.1 | Confident | 89.5 | Confident | 33 Ų | 33 | 67.7 Ų | 67.7 | 17% | 0.169 | 38% | 0.383 | C | S | . | . | | | trans | -58.4 | 130.3 | 174.3 | -163.7 | 170 | 0 | 0 | 0 | 109.7 | L287 A317 L320 D326 | L287-I322 HydrophobicContact CD1-CD1 4.5Å; A317-I322 VanDerWaalsContact C-CG2 3.4Å; A317-I322 HydrophobicContact CB-CG2 3.79Å; A317-I322 VanDerWaalsContact O-CG2 3.31Å; A317-I322 WeakPolarHBondContact O-CG2 3.34Å; L320-I322 VanDerWaalsContact C-N 3.28Å; I322-D326 HydrophobicContact CD1-CB 4.04Å; I322-D326 HydrophobicContact CG1-CB 3.37Å |
| 323 | T | 89.9 | Confident | 89.6 | Confident | 69 Ų | 69 | 67.4 Ų | 67.4 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | | | trans | -73.4 | 163.1 | 175.9 | 66.6 | 0 | 0 | 0 | 0 | 110.5 | G321 D325 D326 A327 | G321-T323 PolarHBondContact O-N 3.16Å; T323-D325 PolarHBondContact O-N 2.88Å; T323-D325 PolarHBondContact OG1-N 2.87Å; T323-D326 WeakPolarHBondContact CB-OD2 3.3Å; T323-D326 WeakPolarHBondContact CG2-OD2 3.28Å; T323-D326 PolarHBondContact N-OD2 3.45Å; T323-D326 VanDerWaalsContact N-OD2 3.14Å; T323-D326 PolarHBondContact O-N 3.09Å; T323-D326 WeakPolarHBondContact OG1-CB 3.19Å; T323-D326 PolarHBondContact OG1-N 3.05Å; T323-D326 PolarHBondContact OG1-OD2 2.82Å; T323-A327 WeakPolarHBondContact O-CB 3.22Å; T323-A327 PolarHBondContact O-N 3.45Å |
| 324 | D | 88.9 | Confident | 89.9 | Confident | 81 Ų | 81 | 64.7 Ų | 64.7 | 43% | 0.433 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.6 | -20.3 | 173.8 | -84.2 | -71.8 | 0 | 0 | 0 | 111.8 | K304 K318 N328 | K304-D324 PolarHBondContact NZ-O 3.19Å; K304-D324 IonicContact NZ-OD1 3.48Å; K318-D324 IonicContact NZ-OD2 3.2Å; K318-D324 PolarHBondContact NZ-OD2 3.32Å; D324-N328 PolarHBondContact O-N 3.49Å; D324-N328 PolarHBondContact O-ND2 3.19Å |
| 325 | D | 90.8 | Very high | 89.9 | Confident | 104 Ų | 104 | 63.6 Ų | 63.6 | 56% | 0.556 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -82 | -41.2 | 174 | -62.2 | -46.6 | 0 | 0 | 0 | 113.3 | T323 A327 N328 N329 | T323-D325 PolarHBondContact O-N 2.88Å; T323-D325 PolarHBondContact OG1-N 2.87Å; D325-A327 PolarHBondContact O-N 2.71Å; D325-N328 WeakPolarHBondContact O-CA 3Å; D325-N328 VanDerWaalsContact O-CB 3.31Å; D325-N328 WeakPolarHBondContact O-CB 3.14Å; D325-N328 PolarHBondContact O-N 2.83Å; D325-N328 PolarHBondContact OD1-ND2 3.39Å; D325-N329 VanDerWaalsContact O-CG 3.27Å; D325-N329 PolarHBondContact O-N 3.08Å; D325-N329 PolarHBondContact O-ND2 3.19Å; D325-N329 VanDerWaalsContact O-ND2 3.13Å |
| 326 | D | 89.9 | Confident | 90.1 | Very high | 78 Ų | 78 | 64.8 Ų | 64.8 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -55.2 | -38.3 | 166.4 | -67.8 | -55.1 | 0 | 0 | 0 | 110.8 | I322 T323 N329 L330 | I322-D326 HydrophobicContact CD1-CB 4.04Å; I322-D326 HydrophobicContact CG1-CB 3.37Å; T323-D326 WeakPolarHBondContact CB-OD2 3.3Å; T323-D326 WeakPolarHBondContact CG2-OD2 3.28Å; T323-D326 PolarHBondContact N-OD2 3.45Å; T323-D326 VanDerWaalsContact N-OD2 3.14Å; T323-D326 PolarHBondContact O-N 3.09Å; T323-D326 WeakPolarHBondContact OG1-CB 3.19Å; T323-D326 PolarHBondContact OG1-N 3.05Å; T323-D326 PolarHBondContact OG1-OD2 2.82Å; D326-N329 PolarHBondContact O-N 3.22Å; D326-L330 PolarHBondContact O-N 3.01Å |
| 327 | A | 90.9 | Very high | 90.1 | Very high | 4 Ų | 4 | 62.5 Ų | 62.5 | 3% | 0.033 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -73.9 | -25 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | K289 K304 V305 T323 D325 | K289-A327 PolarHBondContact NZ-O 2.99Å; K304-A327 HydrophobicContact CD-CB 3.86Å; K304-A327 HydrophobicContact CG-CB 4.24Å; V305-A327 HydrophobicContact CG2-CB 3.72Å; T323-A327 WeakPolarHBondContact O-CB 3.22Å; T323-A327 PolarHBondContact O-N 3.45Å; D325-A327 PolarHBondContact O-N 2.71Å |
| 328 | N | 90.2 | Very high | 90 | Very high | 82 Ų | 82 | 62.5 Ų | 62.5 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.1 | -47 | 166.6 | -77.6 | -33.6 | 0 | 0 | 0 | 110.2 | K289 K304 D324 D325 L330 | K289-N328 PolarHBondContact NZ-O 3.41Å; K304-N328 WeakPolarHBondContact CE-OD1 3.44Å; K304-N328 VanDerWaalsContact NZ-CG 3.26Å; K304-N328 PolarHBondContact NZ-ND2 2.84Å; K304-N328 PolarHBondContact NZ-OD1 3.09Å; D324-N328 PolarHBondContact O-N 3.49Å; D324-N328 PolarHBondContact O-ND2 3.19Å; D325-N328 WeakPolarHBondContact O-CA 3Å; D325-N328 VanDerWaalsContact O-CB 3.31Å; D325-N328 WeakPolarHBondContact O-CB 3.14Å; D325-N328 PolarHBondContact O-N 2.83Å; D325-N328 PolarHBondContact OD1-ND2 3.39Å; N328-L330 VanDerWaalsContact C-N 3.25Å; N328-L330 PolarHBondContact O-N 3.1Å; N328-L330 VanDerWaalsContact O-O 3.11Å |
| 329 | N | 91.5 | Very high | 90 | Very high | 127 Ų | 127 | 55.7 Ų | 55.7 | 68% | 0.679 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.5 | -15.5 | -175 | -69.6 | -34.3 | 0 | 0 | 0 | 115.2 | D325 D326 | D325-N329 VanDerWaalsContact O-CG 3.27Å; D325-N329 PolarHBondContact O-N 3.08Å; D325-N329 PolarHBondContact O-ND2 3.19Å; D325-N329 VanDerWaalsContact O-ND2 3.13Å; D326-N329 PolarHBondContact O-N 3.22Å |
| 330 | L | 91.8 | Very high | 89.7 | Confident | 16 Ų | 16 | 52 Ų | 52 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -74.6 | 137.1 | 168 | -58.3 | -168.9 | 0 | 0 | 0 | 110.8 | L287 K289 V305 D326 N328 Y336 A349 | L287-L330 HydrophobicContact CB-CD1 4.26Å; L287-L330 HydrophobicContact CD1-CD1 4.45Å; K289-L330 HydrophobicContact CB-CB 4.43Å; K289-L330 HydrophobicContact CD-CB 4.13Å; K289-L330 WeakPolarHBondContact CD-O 3.31Å; K289-L330 WeakPolarHBondContact CE-O 3.44Å; K289-L330 PolarHBondContact NZ-O 3.22Å; V305-L330 HydrophobicContact CG1-CD1 3.82Å; V305-L330 HydrophobicContact CG2-CD1 3.98Å; D326-L330 PolarHBondContact O-N 3.01Å; N328-L330 VanDerWaalsContact C-N 3.25Å; N328-L330 PolarHBondContact O-N 3.1Å; N328-L330 VanDerWaalsContact O-O 3.11Å; L330-Y336 HydrophobicContact CB-CD2 4.28Å; L330-Y336 HydrophobicContact CB-CE2 3.74Å; L330-Y336 HydrophobicContact CD1-CD2 4.09Å; L330-Y336 HydrophobicContact CD1-CE2 4.4Å; L330-Y336 HydrophobicContact CD2-CD1 4.3Å; L330-Y336 HydrophobicContact CD2-CD2 3.9Å; L330-Y336 HydrophobicContact CD2-CE1 4.23Å; L330-Y336 HydrophobicContact CD2-CE2 3.84Å; L330-Y336 HydrophobicContact CD2-CG 4.14Å; L330-Y336 HydrophobicContact CG-CD2 4.31Å; L330-Y336 HydrophobicContact CG-CE2 4.18Å; L330-A349 HydrophobicContact CD2-CB 3.91Å |
| 331 | A | 92.5 | Very high | 89.4 | Confident | 48 Ų | 48 | 50.1 Ų | 50.1 | 40% | 0.397 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 145.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M334 Y336 | A331-M334 HydrophobicContact CB-CB 4.35Å; A331-M334 HydrophobicContact CB-CG 3.8Å; A331-M334 WeakPolarHBondContact O-CB 3.42Å; A331-M334 PolarHBondContact O-N 2.9Å; A331-Y336 WeakPolarHBondContact CB-OH 3.3Å; A331-Y336 PolarHBondContact N-OH 2.83Å |
| 332 | E | 91.5 | Very high | 88.5 | Confident | 87 Ų | 87 | 47.6 Ų | 47.6 | 41% | 0.407 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 132.2 | -174.7 | -74 | -163 | -155.1 | 0 | 0 | 114.6 | K289 R291 H292 M334 | K289-E332 HydrophobicContact CD-CG 3.78Å; K289-E332 HydrophobicContact CG-CG 4.02Å; R291-E332 WeakPolarHBondContact CA-OE2 3.41Å; R291-E332 HydrophobicContact CG-CB 4.22Å; H292-E332 IonicContact CD2-OE1 3.92Å; H292-E332 PolarHBondContact CD2-OE1 2.88Å; H292-E332 IonicContact CD2-OE2 3.92Å; H292-E332 PolarHBondContact N-OE2 3.26Å; E332-M334 PolarHBondContact O-N 3.07Å |
| 333 | G | 90.5 | Very high | 87.7 | Confident | 36 Ų | 36 | 48.8 Ų | 48.8 | 37% | 0.371 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | -6.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | K289 | K289-G333 WeakPolarHBondContact O-CA 3.34Å; K289-G333 PolarHBondContact O-N 2.92Å |
| 334 | M | 91.5 | Very high | 87 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 42% | 0.419 | 29% | 0.292 | S | S | . | . | | | trans | -79 | 145.4 | 174.8 | -63.5 | -58 | -73.9 | 0 | 0 | 111.1 | A331 E332 Y336 | A331-M334 HydrophobicContact CB-CB 4.35Å; A331-M334 HydrophobicContact CB-CG 3.8Å; A331-M334 WeakPolarHBondContact O-CB 3.42Å; A331-M334 PolarHBondContact O-N 2.9Å; E332-M334 PolarHBondContact O-N 3.07Å; M334-Y336 HydrophobicContact CB-CD2 4.34Å; M334-Y336 HydrophobicContact CB-CE2 3.65Å |
| 335 | T | 91.8 | Very high | 86.3 | Confident | 50 Ų | 50 | 55.4 Ų | 55.4 | 31% | 0.307 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 105.5 | 174.9 | -61.9 | 0 | 0 | 0 | 0 | 109 | R286 L287 I288 C352 | R286-T335 HydrophobicContact CB-CG2 4.03Å; R286-T335 HydrophobicContact CG-CG2 4.37Å; L287-T335 WeakPolarHBondContact O-CA 3.43Å; I288-T335 HydrophobicContact CG1-CG2 3.93Å; T335-C352 PolarHBondContact O-SG 2.88Å |
| 336 | Y | 92.9 | Very high | 85.7 | Confident | 42 Ų | 42 | 53.5 Ų | 53.5 | 17% | 0.165 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 148.1 | 174.7 | -59.1 | -95.1 | 0 | 0 | 0 | 109.5 | R286 L287 L330 A331 M334 A349 R350 C352 | R286-Y336 CarbonylContact C-O 3.47Å; R286-Y336 VanDerWaalsContact CA-O 3.23Å; R286-Y336 WeakPolarHBondContact CA-O 3.15Å; L287-Y336 PolarHBondContact N-O 3.24Å; L287-Y336 PolarHBondContact O-N 3.4Å; L330-Y336 HydrophobicContact CB-CD2 4.28Å; L330-Y336 HydrophobicContact CB-CE2 3.74Å; L330-Y336 HydrophobicContact CD1-CD2 4.09Å; L330-Y336 HydrophobicContact CD1-CE2 4.4Å; L330-Y336 HydrophobicContact CD2-CD1 4.3Å; L330-Y336 HydrophobicContact CD2-CD2 3.9Å; L330-Y336 HydrophobicContact CD2-CE1 4.23Å; L330-Y336 HydrophobicContact CD2-CE2 3.84Å; L330-Y336 HydrophobicContact CD2-CG 4.14Å; L330-Y336 HydrophobicContact CG-CD2 4.31Å; L330-Y336 HydrophobicContact CG-CE2 4.18Å; A331-Y336 WeakPolarHBondContact CB-OH 3.3Å; A331-Y336 PolarHBondContact N-OH 2.83Å; M334-Y336 HydrophobicContact CB-CD2 4.34Å; M334-Y336 HydrophobicContact CB-CE2 3.65Å; Y336-A349 HydrophobicContact CD1-CB 4.28Å; Y336-A349 HydrophobicContact CG-CB 4.29Å; Y336-R350 CarbonylContact C-O 3.45Å; Y336-R350 VanDerWaalsContact CA-O 3.3Å; Y336-R350 WeakPolarHBondContact CA-O 3.31Å; Y336-R350 WeakPolarHBondContact CB-O 3.39Å; Y336-C352 VanDerWaalsContact C-SG 3.54Å |
| 337 | C | 91.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 126.1 | 174.1 | -89.3 | 0 | 0 | 0 | 0 | 109.8 | A214 S339 R350 C352 L356 | A214-C337 WeakPolarHBondContact CB-SG 3.1Å; C337-S339 PolarHBondContact O-N 3.14Å; C337-R350 PolarHBondContact N-O 3.08Å; C337-R350 PolarHBondContact O-N 2.81Å; C337-R350 VanDerWaalsContact O-N 3.15Å; C337-C352 WeakPolarHBondContact CA-SG 3.49Å; C337-C352 HydrophobicContact CB-CB 4Å; C337-C352 WeakPolarHBondContact CB-SG 3.49Å; C337-C352 PolarHBondContact N-SG 3.2Å; C337-C352 WeakPolarHBondContact SG-CA 3.49Å; C337-C352 WeakPolarHBondContact SG-CB 3.36Å; C337-C352 CovalentContact SG-SG 2.04Å; C337-C352 PolarHBondContact SG-SG 3.02Å; C337-L356 HydrophobicContact CB-CD1 4.35Å |
| 338 | L | 89.1 | Confident | 85.2 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 124.6 | 178.8 | -178.5 | 65.9 | 0 | 0 | 0 | 108.6 | W282 T283 G285 L287 L307 W309 L320 W347 | W282-L338 VanDerWaalsContact CD1-O 3.28Å; T283-L338 PolarHBondContact N-O 3.28Å; T283-L338 PolarHBondContact OG1-O 3.2Å; G285-L338 PolarHBondContact O-N 2.93Å; L287-L338 HydrophobicContact CD1-CD1 4.31Å; L307-L338 HydrophobicContact CD1-CD2 3.98Å; W309-L338 HydrophobicContact CH2-CD2 4.19Å; W309-L338 HydrophobicContact CZ3-CD2 4.48Å; L320-L338 HydrophobicContact CD1-CD1 3.7Å; L320-L338 HydrophobicContact CD1-CD2 3.73Å; L320-L338 HydrophobicContact CD1-CG 4.36Å; L320-L338 HydrophobicContact CD2-CD2 4.04Å; L338-W347 HydrophobicContact CD1-CB 4.27Å; L338-W347 HydrophobicContact CD1-CD2 4.19Å; L338-W347 HydrophobicContact CD1-CE3 3.59Å; L338-W347 HydrophobicContact CD1-CG 4.5Å; L338-W347 HydrophobicContact CD1-CZ3 4.26Å; L338-W347 HydrophobicContact CD2-CE3 3.93Å; L338-W347 HydrophobicContact CD2-CH2 4.41Å; L338-W347 HydrophobicContact CD2-CZ3 3.79Å; L338-W347 HydrophobicContact CG-CE3 3.61Å; L338-W347 HydrophobicContact CG-CZ3 3.75Å |
| 339 | S | 87.1 | Confident | 85.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 138.5 | -172.4 | 59.8 | 0 | 0 | 0 | 0 | 111.4 | S280 Y281 C337 Q348 R350 | S280-S339 WeakPolarHBondContact CB-OG 3.4Å; Y281-S339 CarbonylContact O-C 3.45Å; Y281-S339 WeakPolarHBondContact O-CA 3.49Å; C337-S339 PolarHBondContact O-N 3.14Å; S339-Q348 PolarHBondContact N-O 3.42Å; S339-Q348 PolarHBondContact O-N 2.95Å; S339-Q348 PolarHBondContact OG-O 2.93Å; S339-R350 WeakPolarHBondContact OG-CG 3.45Å |
| 340 | L | 81.2 | Confident | 84.9 | Confident | 44 Ų | 44 | 52.7 Ų | 52.7 | 23% | 0.23 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 112.9 | -175.4 | 179.2 | 64.5 | 0 | 0 | 0 | 109.3 | S280 Y281 T283 I342 W347 | S280-L340 CarbonylContact C-O 3.59Å; S280-L340 WeakPolarHBondContact CA-O 3.27Å; Y281-L340 PolarHBondContact N-O 3.11Å; Y281-L340 PolarHBondContact O-N 3.46Å; T283-L340 HydrophobicContact CG2-CB 3.85Å; L340-I342 HydrophobicContact CD2-CG1 4.33Å; L340-I342 HydrophobicContact CG-CG1 4.28Å; L340-I342 PolarHBondContact O-N 3.23Å; L340-W347 HydrophobicContact CB-CE3 4.16Å; L340-W347 HydrophobicContact CB-CH2 4.49Å; L340-W347 HydrophobicContact CB-CZ3 3.95Å; L340-W347 HydrophobicContact CD1-CD2 4.27Å; L340-W347 HydrophobicContact CD1-CE3 4.34Å |
| 341 | D | 78.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 90.8 | 173.5 | -169.6 | -2.4 | 0 | 0 | 0 | 109.4 | A343 R344 L345 T346 Q348 | D341-A343 PolarHBondContact O-N 2.93Å; D341-A343 VanDerWaalsContact O-N 3.14Å; D341-R344 HydrophobicContact CB-CB 4.44Å; D341-R344 CarbonylContact O-C 3.55Å; D341-R344 PolarHBondContact O-N 3.44Å; D341-R344 WeakPolarHBondContact OD2-CD 3.43Å; D341-L345 WeakPolarHBondContact O-CA 3.28Å; D341-L345 PolarHBondContact O-N 2.9Å; D341-T346 PolarHBondContact N-O 3.42Å; D341-T346 PolarHBondContact O-N 3.23Å; D341-Q348 HydrophobicContact CB-CG 4.34Å; D341-Q348 PolarHBondContact OD2-NE2 3.09Å |
| 342 | I | 69.8 | Low | 84.5 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -30.6 | -174.1 | -67.2 | -173.8 | 0 | 0 | 0 | 112.2 | L199 V270 Y281 L340 R344 | L199-I342 HydrophobicContact CD2-CD1 4.04Å; V270-I342 HydrophobicContact CB-CG2 4.13Å; V270-I342 HydrophobicContact CG1-CG2 3.82Å; V270-I342 HydrophobicContact CG2-CG2 3.3Å; Y281-I342 HydrophobicContact CD1-CD1 4.17Å; Y281-I342 HydrophobicContact CD2-CB 4.3Å; Y281-I342 HydrophobicContact CD2-CD1 3.5Å; Y281-I342 VanDerWaalsContact CD2-CD1 3.5Å; Y281-I342 HydrophobicContact CD2-CG1 3.68Å; Y281-I342 HydrophobicContact CE1-CD1 4.24Å; Y281-I342 HydrophobicContact CE2-CB 4.22Å; Y281-I342 HydrophobicContact CE2-CD1 3.62Å; Y281-I342 HydrophobicContact CE2-CG1 3.98Å; Y281-I342 HydrophobicContact CG-CD1 3.82Å; Y281-I342 HydrophobicContact CG-CG1 4.31Å; L340-I342 HydrophobicContact CD2-CG1 4.33Å; L340-I342 HydrophobicContact CG-CG1 4.28Å; L340-I342 PolarHBondContact O-N 3.23Å; I342-R344 VanDerWaalsContact C-N 3.28Å; I342-R344 PolarHBondContact O-N 3.03Å |
| 343 | A | 68.9 | Low | 84.3 | Confident | 58 Ų | 58 | 56.2 Ų | 56.2 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -22.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D341 | D341-A343 PolarHBondContact O-N 2.93Å; D341-A343 VanDerWaalsContact O-N 3.14Å |
| 344 | R | 76.6 | Confident | 84 | Confident | 169 Ų | 169 | 59 Ų | 59 | 64% | 0.638 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | -7.2 | 179.3 | -65.4 | -177.4 | 172.3 | -169.6 | -4.9 | 113.3 | D341 I342 T346 | D341-R344 HydrophobicContact CB-CB 4.44Å; D341-R344 CarbonylContact O-C 3.55Å; D341-R344 PolarHBondContact O-N 3.44Å; D341-R344 WeakPolarHBondContact OD2-CD 3.43Å; I342-R344 VanDerWaalsContact C-N 3.28Å; I342-R344 PolarHBondContact O-N 3.03Å; R344-T346 HydrophobicContact CB-CG2 4.42Å; R344-T346 VanDerWaalsContact CB-OG1 3.3Å; R344-T346 WeakPolarHBondContact CB-OG1 3.21Å; R344-T346 PolarHBondContact O-N 3.28Å; R344-T346 VanDerWaalsContact O-N 3.08Å |
| 345 | L | 73.5 | Confident | 83.5 | Confident | 119 Ų | 119 | 59.4 Ų | 59.4 | 62% | 0.623 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 20.7 | -166.7 | -58.1 | 176.6 | 0 | 0 | 0 | 114.6 | D341 | D341-L345 WeakPolarHBondContact O-CA 3.28Å; D341-L345 PolarHBondContact O-N 2.9Å |
| 346 | T | 78 | Confident | 82.8 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 144.2 | -177.5 | 46.9 | 0 | 0 | 0 | 0 | 113 | D341 R344 | D341-T346 PolarHBondContact N-O 3.42Å; D341-T346 PolarHBondContact O-N 3.23Å; R344-T346 HydrophobicContact CB-CG2 4.42Å; R344-T346 VanDerWaalsContact CB-OG1 3.3Å; R344-T346 WeakPolarHBondContact CB-OG1 3.21Å; R344-T346 PolarHBondContact O-N 3.28Å; R344-T346 VanDerWaalsContact O-N 3.08Å |
| 347 | W | 82.5 | Confident | 81.9 | Confident | 116 Ų | 116 | 56.4 Ų | 56.4 | 44% | 0.439 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 136.2 | 167.6 | -67.3 | 109.3 | 0 | 0 | 0 | 110.4 | T283 L338 L340 | T283-W347 HydrophobicContact CG2-CH2 4.01Å; T283-W347 HydrophobicContact CG2-CZ3 3.56Å; L338-W347 HydrophobicContact CD1-CB 4.27Å; L338-W347 HydrophobicContact CD1-CD2 4.19Å; L338-W347 HydrophobicContact CD1-CE3 3.59Å; L338-W347 HydrophobicContact CD1-CG 4.5Å; L338-W347 HydrophobicContact CD1-CZ3 4.26Å; L338-W347 HydrophobicContact CD2-CE3 3.93Å; L338-W347 HydrophobicContact CD2-CH2 4.41Å; L338-W347 HydrophobicContact CD2-CZ3 3.79Å; L338-W347 HydrophobicContact CG-CE3 3.61Å; L338-W347 HydrophobicContact CG-CZ3 3.75Å; L340-W347 HydrophobicContact CB-CE3 4.16Å; L340-W347 HydrophobicContact CB-CH2 4.49Å; L340-W347 HydrophobicContact CB-CZ3 3.95Å; L340-W347 HydrophobicContact CD1-CD2 4.27Å; L340-W347 HydrophobicContact CD1-CE3 4.34Å |
| 348 | Q | 87.3 | Confident | 81.1 | Confident | 31 Ų | 31 | 56.4 Ų | 56.4 | 15% | 0.145 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 130.4 | 179.1 | -67.5 | 175.6 | 7.5 | 0 | 0 | 109.7 | S280 S339 D341 | S280-Q348 PolarHBondContact OG-OE1 2.96Å; S339-Q348 PolarHBondContact N-O 3.42Å; S339-Q348 PolarHBondContact O-N 2.95Å; S339-Q348 PolarHBondContact OG-O 2.93Å; D341-Q348 HydrophobicContact CB-CG 4.34Å; D341-Q348 PolarHBondContact OD2-NE2 3.09Å |
| 349 | A | 89.5 | Confident | 80.2 | Confident | 42 Ų | 42 | 57 Ų | 57 | 35% | 0.347 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 116.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | L287 L330 Y336 | L287-A349 HydrophobicContact CD1-CB 4.1Å; L330-A349 HydrophobicContact CD2-CB 3.91Å; Y336-A349 HydrophobicContact CD1-CB 4.28Å; Y336-A349 HydrophobicContact CG-CB 4.29Å |
| 350 | R | 87.7 | Confident | 79.4 | Confident | 85 Ų | 85 | 57.4 Ų | 57.4 | 32% | 0.321 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 157.7 | 173.9 | -66.3 | -67.2 | -173 | 173.1 | -3.1 | 108.9 | S280 Y336 C337 S339 C352 L356 | S280-R350 PolarHBondContact OG-NE 3.47Å; S280-R350 PolarHBondContact OG-NH2 2.88Å; Y336-R350 CarbonylContact C-O 3.45Å; Y336-R350 VanDerWaalsContact CA-O 3.3Å; Y336-R350 WeakPolarHBondContact CA-O 3.31Å; Y336-R350 WeakPolarHBondContact CB-O 3.39Å; C337-R350 PolarHBondContact N-O 3.08Å; C337-R350 PolarHBondContact O-N 2.81Å; C337-R350 VanDerWaalsContact O-N 3.15Å; S339-R350 WeakPolarHBondContact OG-CG 3.45Å; R350-C352 PolarHBondContact O-N 3.5Å; R350-L356 HydrophobicContact CB-CD1 4.08Å; R350-L356 HydrophobicContact CB-CD2 4.22Å; R350-L356 HydrophobicContact CG-CD2 4.18Å |
| 351 | D | 87.9 | Confident | 78.7 | Confident | 49 Ų | 49 | 60.2 Ų | 60.2 | 26% | 0.262 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 139.2 | 167.3 | -159.3 | -53.2 | 0 | 0 | 0 | 110.2 | E353 H354 | D351-E353 PolarHBondContact O-N 2.79Å; D351-E353 WeakPolarHBondContact OD1-CB 3.09Å; D351-E353 PolarHBondContact OD1-N 2.78Å; D351-H354 PolarHBondContact N-ND1 2.76Å; D351-H354 WeakPolarHBondContact O-CB 3.36Å; D351-H354 PolarHBondContact O-N 3.11Å |
| 352 | C | 86.9 | Confident | 78 | Confident | 17 Ų | 17 | 61.9 Ų | 61.9 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -16.9 | 174.4 | -74.4 | 0 | 0 | 0 | 0 | 113.5 | A214 T335 Y336 C337 R350 | A214-C352 HydrophobicContact CB-CB 3.83Å; A214-C352 PolarHBondContact N-O 2.86Å; T335-C352 PolarHBondContact O-SG 2.88Å; Y336-C352 VanDerWaalsContact C-SG 3.54Å; C337-C352 WeakPolarHBondContact CA-SG 3.49Å; C337-C352 HydrophobicContact CB-CB 4Å; C337-C352 WeakPolarHBondContact CB-SG 3.49Å; C337-C352 PolarHBondContact N-SG 3.2Å; C337-C352 WeakPolarHBondContact SG-CA 3.49Å; C337-C352 WeakPolarHBondContact SG-CB 3.36Å; C337-C352 CovalentContact SG-SG 2.04Å; C337-C352 PolarHBondContact SG-SG 3.02Å; R350-C352 PolarHBondContact O-N 3.5Å |
| 353 | E | 86.5 | Confident | 77.5 | Confident | 160 Ų | 160 | 65.2 Ų | 65.2 | 75% | 0.748 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -15.3 | 171.8 | -60.7 | -157.6 | 168.2 | 0 | 0 | 113.4 | T213 D351 | T213-E353 WeakPolarHBondContact CG2-O 3.31Å; D351-E353 PolarHBondContact O-N 2.79Å; D351-E353 WeakPolarHBondContact OD1-CB 3.09Å; D351-E353 PolarHBondContact OD1-N 2.78Å |
| 354 | H | 84.4 | Confident | 76.9 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -63.7 | 145.8 | 173 | -67.2 | 155.7 | 0 | 0 | 0 | 111.8 | D351 L356 | D351-H354 PolarHBondContact N-ND1 2.76Å; D351-H354 WeakPolarHBondContact O-CB 3.36Å; D351-H354 PolarHBondContact O-N 3.11Å; H354-L356 HydrophobicContact CB-CD2 4.1Å; H354-L356 HydrophobicContact CB-CG 4.26Å; H354-L356 PolarHBondContact O-N 3.13Å; H354-L356 VanDerWaalsContact O-N 3.13Å |
| 355 | R | 82.4 | Confident | 75.9 | Confident | 94 Ų | 94 | 70.8 Ų | 70.8 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | | | trans | -79.1 | 91.9 | 172.9 | -73.9 | -179.8 | 176.5 | -93.2 | 0.6 | 109.9 | E204 G211 | E204-R355 IonicContact OE2-CZ 3.81Å; E204-R355 IonicContact OE2-NH1 3.69Å; E204-R355 PolarHBondContact OE2-NH1 3.32Å; E204-R355 IonicContact OE2-NH2 2.75Å; E204-R355 PolarHBondContact OE2-NH2 2.85Å; G211-R355 PolarHBondContact O-NH1 2.83Å |
| 356 | L | 76.6 | Confident | 74.6 | Confident | 12 Ų | 12 | 70.6 Ų | 70.6 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | B | Isolated β-bridge | trans | -96.7 | 143.2 | 179.3 | -56.3 | 175.9 | 0 | 0 | 0 | 110.4 | G211 L212 W282 C337 R350 H354 | G211-L356 CarbonylContact C-O 3.6Å; G211-L356 WeakPolarHBondContact CA-O 3.08Å; L212-L356 PolarHBondContact N-O 2.9Å; L212-L356 PolarHBondContact O-N 3.22Å; W282-L356 HydrophobicContact CB-CB 4.09Å; W282-L356 HydrophobicContact CB-CD1 3.99Å; C337-L356 HydrophobicContact CB-CD1 4.35Å; R350-L356 HydrophobicContact CB-CD1 4.08Å; R350-L356 HydrophobicContact CB-CD2 4.22Å; R350-L356 HydrophobicContact CG-CD2 4.18Å; H354-L356 HydrophobicContact CB-CD2 4.1Å; H354-L356 HydrophobicContact CB-CG 4.26Å; H354-L356 PolarHBondContact O-N 3.13Å; H354-L356 VanDerWaalsContact O-N 3.13Å |
| 357 | P | 73.5 | Confident | 72.9 | Confident | 17 Ų | 17 | 72.2 Ų | 72.2 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | | | trans | -54.4 | 147.4 | 156.3 | -19.3 | 32.3 | 0 | 0 | 0 | 109.3 | Y281 W282 | Y281-P357 CarbonylContact C-O 3.56Å; Y281-P357 WeakPolarHBondContact CA-O 3.49Å; Y281-P357 HydrophobicContact CD1-CB 3.64Å; Y281-P357 HydrophobicContact CD2-CB 4.45Å; Y281-P357 HydrophobicContact CE1-CB 3.76Å; Y281-P357 HydrophobicContact CG-CB 4.01Å; W282-P357 PolarHBondContact N-O 2.91Å |
| 358 | Y | 75.2 | Confident | 70.9 | Confident | 0 Ų | 0 | 75.2 Ų | 75.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 160.8 | 179.3 | 72.3 | -102.7 | 0 | 0 | 0 | 114.3 | A200 T202 L212 A217 A220 F224 C360 | A200-Y358 CarbonylContact C-O 3.52Å; A200-Y358 HydrophobicContact CB-CD2 4.16Å; A200-Y358 HydrophobicContact CB-CE2 3.65Å; A200-Y358 PolarHBondContact N-O 2.85Å; T202-Y358 HydrophobicContact CG2-CD1 4.48Å; T202-Y358 HydrophobicContact CG2-CE1 3.64Å; T202-Y358 HydrophobicContact CG2-CE2 4.49Å; T202-Y358 WeakPolarHBondContact CG2-OH 3.49Å; T202-Y358 WeakPolarHBondContact OG1-CD1 3.3Å; T202-Y358 WeakPolarHBondContact OG1-CE1 3.38Å; L212-Y358 HydrophobicContact CB-CD1 4.24Å; L212-Y358 HydrophobicContact CB-CE1 4.4Å; L212-Y358 HydrophobicContact CD1-CD1 4.14Å; L212-Y358 HydrophobicContact CD1-CE1 3.47Å; L212-Y358 VanDerWaalsContact CD1-CE1 3.47Å; L212-Y358 HydrophobicContact CG-CD1 4.2Å; L212-Y358 HydrophobicContact CG-CE1 3.91Å; A217-Y358 HydrophobicContact CB-CD1 3.48Å; A217-Y358 VanDerWaalsContact CB-CD1 3.48Å; A217-Y358 HydrophobicContact CB-CD2 4.4Å; A217-Y358 HydrophobicContact CB-CE1 4.12Å; A217-Y358 HydrophobicContact CB-CG 3.65Å; A220-Y358 HydrophobicContact CB-CE1 4.14Å; A220-Y358 WeakPolarHBondContact CB-OH 3.41Å; F224-Y358 WeakPolarHBondContact CE2-OH 3.35Å; Y358-C360 WeakPolarHBondContact CE2-SG 3.49Å |
| 359 | A | 71.1 | Confident | 68.8 | Low | 15 Ų | 15 | 79.9 Ų | 79.9 | 12% | 0.124 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 134.9 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V197 I198 L199 W282 | V197-A359 HydrophobicContact CG1-CB 4.17Å; I198-A359 CarbonylContact O-C 3.6Å; I198-A359 WeakPolarHBondContact O-CA 3.5Å; L199-A359 HydrophobicContact CB-CB 4.44Å; L199-A359 HydrophobicContact CG-CB 3.94Å; W282-A359 PolarHBondContact O-N 3.44Å; W282-A359 VanDerWaalsContact O-N 3.09Å |
| 360 | C | 69 | Low | 66.6 | Low | 8 Ų | 8 | 83.5 Ų | 83.5 | 5% | 0.054 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 115.2 | 169.6 | -50.9 | 0 | 0 | 0 | 0 | 109.4 | I198 C221 Y358 I362 | I198-C360 PolarHBondContact N-O 2.77Å; I198-C360 PolarHBondContact O-N 2.92Å; C221-C360 WeakPolarHBondContact CA-SG 3.44Å; C221-C360 HydrophobicContact CB-CB 3.91Å; C221-C360 WeakPolarHBondContact CB-SG 3.41Å; C221-C360 WeakPolarHBondContact SG-CB 3.41Å; C221-C360 CovalentContact SG-SG 2.04Å; C221-C360 PolarHBondContact SG-SG 3.28Å; Y358-C360 WeakPolarHBondContact CE2-SG 3.49Å; C360-I362 HydrophobicContact CB-CG1 4.34Å; C360-I362 PolarHBondContact O-N 2.8Å |
| 361 | L | 66.4 | Low | 64.5 | Low | 103 Ų | 103 | 83.6 Ų | 83.6 | 54% | 0.539 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 105.4 | 167.2 | 175.6 | 61.7 | 0 | 0 | 0 | 109.6 | V197 T363 | V197-L361 HydrophobicContact CG2-CD1 4.01Å; L361-T363 HydrophobicContact CD1-CG2 4.38Å; L361-T363 HydrophobicContact CD2-CG2 4.3Å; L361-T363 HydrophobicContact CG-CG2 4.12Å; L361-T363 PolarHBondContact O-N 2.91Å |
| 362 | I | 64.1 | Low | 62.4 | Low | 35 Ų | 35 | 86.2 Ų | 86.2 | 18% | 0.179 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 95 | 175.7 | -54.8 | -163.8 | 0 | 0 | 0 | 109.4 | G195 R196 I198 C360 | G195-I362 CarbonylContact C-O 3.56Å; G195-I362 VanDerWaalsContact CA-O 3.23Å; G195-I362 WeakPolarHBondContact CA-O 3.47Å; R196-I362 PolarHBondContact N-O 2.78Å; R196-I362 PolarHBondContact O-N 3.22Å; I198-I362 HydrophobicContact CD1-CD1 3.63Å; I198-I362 HydrophobicContact CD1-CG1 4.16Å; I198-I362 HydrophobicContact CG1-CD1 4.32Å; I198-I362 HydrophobicContact CG1-CG1 4.32Å; C360-I362 HydrophobicContact CB-CG1 4.34Å; C360-I362 PolarHBondContact O-N 2.8Å |
| 363 | T | 59.2 | Low | 60.3 | Low | 81 Ų | 81 | 90.7 Ų | 90.7 | 50% | 0.497 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 136.7 | 168.6 | 53.1 | 0 | 0 | 0 | 0 | 110.9 | L361 R365 | L361-T363 HydrophobicContact CD1-CG2 4.38Å; L361-T363 HydrophobicContact CD2-CG2 4.3Å; L361-T363 HydrophobicContact CG-CG2 4.12Å; L361-T363 PolarHBondContact O-N 2.91Å; T363-R365 PolarHBondContact O-N 2.96Å |
| 364 | R | 56.6 | Low | 58.2 | Low | 143 Ų | 143 | 86.8 Ų | 86.8 | 54% | 0.54 | 45% | 0.449 | S | S | . | . | | | trans | -80.1 | 115.4 | 165 | -70.8 | -169.2 | -178.1 | -174 | 4.5 | 108.9 | N366 | R364-N366 PolarHBondContact O-N 2.78Š|
| 365 | R | 55 | Low | 56.6 | Low | 201 Ų | 201 | 89.5 Ų | 89.5 | 76% | 0.758 | 47% | 0.467 | S | S | * | . | | | trans | -67.1 | 114.3 | 159.3 | -73.1 | -175.9 | 177.1 | 170.5 | -0.4 | 107.8 | T363 V367 | T363-R365 PolarHBondContact O-N 2.96Å; R365-V367 VanDerWaalsContact C-N 3.28Å; R365-V367 PolarHBondContact O-N 2.99Å |
| 366 | N | 48 | Very low | 55 | Low | 115 Ų | 115 | 90.3 Ų | 90.3 | 62% | 0.615 | 49% | 0.487 | S | S | * | . | | | trans | -70.5 | 88.4 | 168.7 | -72.5 | -18.8 | 0 | 0 | 0 | 108.3 | R364 F368 | R364-N366 PolarHBondContact O-N 2.78Å; N366-F368 HydrophobicContact CB-CE2 4.36Å; N366-F368 WeakPolarHBondContact O-CD2 3.46Å; N366-F368 PolarHBondContact O-N 3.08Å; N366-F368 VanDerWaalsContact O-N 3.12Å |
| 367 | V | 42 | Very low | 53.4 | Low | 99 Ų | 99 | 93.7 Ų | 93.7 | 60% | 0.6 | 51% | 0.512 | S | S | * | . | | | trans | -71.3 | 103.4 | 168.7 | -178.4 | 0 | 0 | 0 | 0 | 107.1 | R365 I369 | R365-V367 VanDerWaalsContact C-N 3.28Å; R365-V367 PolarHBondContact O-N 2.99Å; V367-I369 PolarHBondContact O-N 3.18Å; V367-I369 VanDerWaalsContact O-N 3.09Å |
| 368 | F | 40.6 | Very low | 51.8 | Low | 178 Ų | 178 | 98.5 Ų | 98.5 | 78% | 0.781 | 54% | 0.541 | S | S | * | . | | | trans | -67.3 | 105.7 | 173.5 | -74.9 | -89.4 | 0 | 0 | 0 | 109 | N366 T370 | N366-F368 HydrophobicContact CB-CE2 4.36Å; N366-F368 WeakPolarHBondContact O-CD2 3.46Å; N366-F368 PolarHBondContact O-N 3.08Å; N366-F368 VanDerWaalsContact O-N 3.12Å; F368-T370 PolarHBondContact O-N 2.81Å |
| 369 | I | 43 | Very low | 50.2 | Low | 129 Ų | 129 | 102.8 Ų | 102.8 | 66% | 0.662 | 57% | 0.566 | S | S | * | * | | | trans | -75.9 | 93.8 | 170.8 | -56.9 | 177.1 | 0 | 0 | 0 | 107.1 | V367 T371 | V367-I369 PolarHBondContact O-N 3.18Å; V367-I369 VanDerWaalsContact O-N 3.09Å; I369-T371 VanDerWaalsContact C-N 3.32Å; I369-T371 HydrophobicContact CG2-CG2 4.34Å; I369-T371 PolarHBondContact O-N 2.83Å |
| 370 | T | 42.3 | Very low | 48.7 | Very low | 118 Ų | 118 | 106.3 Ų | 106.3 | 72% | 0.724 | 59% | 0.587 | S | S | * | * | | | trans | -70.8 | 88.1 | 173.5 | -53 | 0 | 0 | 0 | 0 | 109.6 | F368 T372 | F368-T370 PolarHBondContact O-N 2.81Å; T370-T372 PolarHBondContact O-N 2.79Å |
| 371 | T | 43 | Very low | 47.4 | Very low | 87 Ų | 87 | 113.9 Ų | 113.9 | 53% | 0.534 | 62% | 0.619 | S | S | . | * | | | trans | -68.4 | 95.1 | 166.5 | 42.9 | 0 | 0 | 0 | 0 | 109.5 | I369 T373 | I369-T371 VanDerWaalsContact C-N 3.32Å; I369-T371 HydrophobicContact CG2-CG2 4.34Å; I369-T371 PolarHBondContact O-N 2.83Å; T371-T373 PolarHBondContact O-N 3.02Å; T371-T373 VanDerWaalsContact O-N 3.1Å |
| 372 | T | 44.8 | Very low | 46.1 | Very low | 104 Ų | 104 | 114.7 Ų | 114.7 | 64% | 0.638 | 63% | 0.628 | S | S | * | * | | | trans | -67.9 | 99.7 | 162.8 | 42.6 | 0 | 0 | 0 | 0 | 109.1 | T370 S374 | T370-T372 PolarHBondContact O-N 2.79Å; T372-S374 VanDerWaalsContact C-N 3.33Å; T372-S374 PolarHBondContact O-N 3.4Å |
| 373 | T | 43.4 | Very low | 45 | Very low | 111 Ų | 111 | 119 Ų | 119 | 68% | 0.681 | 65% | 0.651 | S | S | * | * | | | trans | -68.3 | 90.5 | 171 | -51 | 0 | 0 | 0 | 0 | 109.2 | T371 | T371-T373 PolarHBondContact O-N 3.02Å; T371-T373 VanDerWaalsContact O-N 3.1Å |
| 374 | S | 42.3 | Very low | 43.8 | Very low | 78 Ų | 78 | 123.9 Ų | 123.9 | 55% | 0.545 | 67% | 0.668 | S | S | . | * | | | trans | -67.9 | 135.6 | 160.8 | -165 | 0 | 0 | 0 | 0 | 108.2 | T372 S376 | T372-S374 VanDerWaalsContact C-N 3.33Å; T372-S374 PolarHBondContact O-N 3.4Å; S374-S376 PolarHBondContact O-N 2.84Å |
| 375 | N | 50.6 | Low | 42.6 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 81% | 0.807 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -69.6 | 118.5 | 169.7 | -69.4 | -26.2 | 0 | 0 | 0 | 107.3 | | |
| 376 | S | 48.5 | Very low | 41.6 | Very low | 112 Ų | 112 | 120.8 Ų | 120.8 | 78% | 0.783 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 80 | 121.5 | -157.6 | -159.9 | 0 | 0 | 0 | 0 | 114.2 | S374 | S374-S376 PolarHBondContact O-N 2.84Š|
| 377 | S | 41.7 | Very low | 40.9 | Very low | 82 Ų | 82 | 121.4 Ų | 121.4 | 57% | 0.573 | 67% | 0.674 | S | S | * | * | | | trans | 64.1 | 111.5 | -179.3 | -160.3 | 0 | 0 | 0 | 0 | 117.2 | V379 | S377-V379 VanDerWaalsContact C-N 3.27Å; S377-V379 PolarHBondContact O-N 2.79Å |
| 378 | V | 41.8 | Very low | 40.2 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 72% | 0.721 | 68% | 0.682 | S | S | * | * | | | trans | -76.2 | 80.5 | 166.5 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | V380 | V378-V380 VanDerWaalsContact C-N 3.34Å; V378-V380 HydrophobicContact CG1-CG2 4.16Å; V378-V380 PolarHBondContact O-N 3.14Å |
| 379 | V | 40.8 | Very low | 39.7 | Very low | 89 Ų | 89 | 116.6 Ų | 116.6 | 54% | 0.539 | 67% | 0.674 | S | S | . | * | | | trans | -73.8 | 88.3 | 175.5 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | S377 K381 | S377-V379 VanDerWaalsContact C-N 3.27Å; S377-V379 PolarHBondContact O-N 2.79Å; V379-K381 VanDerWaalsContact C-N 3.33Å; V379-K381 HydrophobicContact CG1-CG 4.2Å; V379-K381 PolarHBondContact O-N 2.89Å |
| 380 | V | 39.9 | Very low | 39.1 | Very low | 90 Ų | 90 | 119.5 Ų | 119.5 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | | | trans | -65.7 | 95.2 | 167.2 | -177.7 | 0 | 0 | 0 | 0 | 108 | V378 T382 | V378-V380 VanDerWaalsContact C-N 3.34Å; V378-V380 HydrophobicContact CG1-CG2 4.16Å; V378-V380 PolarHBondContact O-N 3.14Å; V380-T382 HydrophobicContact CG1-CG2 4.49Å; V380-T382 PolarHBondContact O-N 3.38Å |
| 381 | K | 42.1 | Very low | 38.5 | Very low | 167 Ų | 167 | 120.2 Ų | 120.2 | 73% | 0.726 | 68% | 0.683 | S | S | * | * | | | trans | -68.3 | 86.5 | 167.5 | -70.8 | -172.3 | 178.1 | -178.9 | 0 | 108.7 | V379 L383 | V379-K381 VanDerWaalsContact C-N 3.33Å; V379-K381 HydrophobicContact CG1-CG 4.2Å; V379-K381 PolarHBondContact O-N 2.89Å; K381-L383 PolarHBondContact O-N 3.05Å |
| 382 | T | 39 | Very low | 37.7 | Very low | 120 Ų | 120 | 120.4 Ų | 120.4 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | | | trans | -54.2 | 134.9 | 163.7 | 34.4 | 0 | 0 | 0 | 0 | 108.8 | V380 Q384 | V380-T382 HydrophobicContact CG1-CG2 4.49Å; V380-T382 PolarHBondContact O-N 3.38Å; T382-Q384 VanDerWaalsContact C-N 3.35Å; T382-Q384 PolarHBondContact O-N 3.37Å |
| 383 | L | 39.6 | Very low | 36.9 | Very low | 126 Ų | 126 | 120 Ų | 120 | 66% | 0.66 | 70% | 0.695 | S | S | * | * | | | trans | -73 | 93.7 | 179.8 | -155.8 | 80.3 | 0 | 0 | 0 | 108.7 | K381 I386 | K381-L383 PolarHBondContact O-N 3.05Å; L383-I386 HydrophobicContact CD1-CD1 4.23Å; L383-I386 HydrophobicContact CD2-CD1 4.03Å; L383-I386 HydrophobicContact CD2-CG1 4.27Å; L383-I386 HydrophobicContact CG-CD1 4.23Å; L383-I386 HydrophobicContact CG-CG1 4.34Å |
| 384 | Q | 34 | Very low | 36.2 | Very low | 182 Ų | 182 | 122.3 Ų | 122.3 | 85% | 0.85 | 70% | 0.698 | S | S | * | * | | | trans | -56.6 | 141.2 | 169.4 | -162 | 167.9 | 5 | 0 | 0 | 108.6 | T382 I386 | T382-Q384 VanDerWaalsContact C-N 3.35Å; T382-Q384 PolarHBondContact O-N 3.37Å; Q384-I386 PolarHBondContact O-N 2.8Å |
| 385 | E | 32.3 | Very low | 35.6 | Very low | 164 Ų | 164 | 129 Ų | 129 | 77% | 0.766 | 71% | 0.712 | S | S | * | * | | | trans | -54.3 | 106.2 | -158.4 | -62.7 | -179.5 | 130.4 | 0 | 0 | 113.8 | N387 | E385-N387 PolarHBondContact O-N 3.14Š|
| 386 | I | 34.2 | Very low | 34.6 | Very low | 116 Ų | 116 | 126 Ų | 126 | 60% | 0.595 | 70% | 0.704 | S | S | * | * | | | trans | -75.8 | 72.3 | 164.2 | -50.7 | -176.6 | 0 | 0 | 0 | 107.9 | L383 Q384 G388 | L383-I386 HydrophobicContact CD1-CD1 4.23Å; L383-I386 HydrophobicContact CD2-CD1 4.03Å; L383-I386 HydrophobicContact CD2-CG1 4.27Å; L383-I386 HydrophobicContact CG-CD1 4.23Å; L383-I386 HydrophobicContact CG-CG1 4.34Å; Q384-I386 PolarHBondContact O-N 2.8Å; I386-G388 PolarHBondContact O-N 2.99Å |
| 387 | N | 32.6 | Very low | 33.6 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | | | trans | -62.9 | 121.6 | 165.9 | -87.4 | -53.4 | 0 | 0 | 0 | 108.7 | E385 | E385-N387 PolarHBondContact O-N 3.14Š|
| 388 | G | 28.1 | Very low | 33 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 61.1 | 71.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | I386 | I386-G388 PolarHBondContact O-N 2.99Š|
| 389 | T | 29.3 | Very low | 32.4 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 62% | 0.62 | 72% | 0.719 | S | S | * | * | | | trans | -134.2 | 110.4 | 156.4 | -39.7 | 0 | 0 | 0 | 0 | 110.7 | I391 | T389-I391 PolarHBondContact O-N 3.3Š|
| 390 | Q | 30.6 | Very low | 32 | Very low | 190 Ų | 190 | 133.9 Ų | 133.9 | 89% | 0.888 | 73% | 0.728 | S | S | * | * | | | trans | -76.2 | 110.2 | 175.2 | -172.7 | 179.5 | 63.2 | 0 | 0 | 108.3 | S392 | Q390-S392 PolarHBondContact O-N 3.02Å; Q390-S392 VanDerWaalsContact O-N 3.16Å |
| 391 | I | 29.4 | Very low | 31.7 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | | | trans | -66.3 | 116 | 175.1 | -58.2 | 175.5 | 0 | 0 | 0 | 107.6 | T389 A393 | T389-I391 PolarHBondContact O-N 3.3Å; I391-A393 PolarHBondContact O-N 2.94Å |
| 392 | S | 26.8 | Very low | 31.3 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | | | trans | -61.7 | 125.8 | -177.8 | -174.7 | 0 | 0 | 0 | 0 | 111.1 | Q390 H394 | Q390-S392 PolarHBondContact O-N 3.02Å; Q390-S392 VanDerWaalsContact O-N 3.16Å; S392-H394 PolarHBondContact O-N 3.29Å |
| 393 | A | 28.2 | Very low | 31 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | | | trans | -80.6 | 49.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I391 | I391-A393 PolarHBondContact O-N 2.94Š|
| 394 | H | 27.4 | Very low | 30.7 | Very low | 159 Ų | 159 | 145.2 Ų | 145.2 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | -108.4 | 44.5 | -172.2 | -149.5 | -69.5 | 0 | 0 | 0 | 113.1 | S392 S396 | S392-H394 PolarHBondContact O-N 3.29Å; H394-S396 PolarHBondContact O-N 2.92Å |
| 395 | Y | 30.8 | Very low | 30.7 | Very low | 218 Ų | 218 | 143.1 Ų | 143.1 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | | | trans | -77.2 | 104.1 | 170.1 | -104.5 | -89.4 | 0 | 0 | 0 | 110 | H397 | Y395-H397 PolarHBondContact O-N 2.69Š|
| 396 | S | 28.9 | Very low | 30.8 | Very low | 89 Ų | 89 | 140.6 Ų | 140.6 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | | | trans | -66.7 | 127.5 | 170.2 | -179 | 0 | 0 | 0 | 0 | 110.1 | H394 V398 | H394-S396 PolarHBondContact O-N 2.92Å; S396-V398 VanDerWaalsContact C-N 3.25Å; S396-V398 PolarHBondContact O-N 2.72Å |
| 397 | H | 27.5 | Very low | 30.9 | Very low | 185 Ų | 185 | 143.4 Ų | 143.4 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | | | trans | -76.6 | 75.6 | 170.8 | -83.7 | -94.4 | 0 | 0 | 0 | 110.5 | Y395 I399 | Y395-H397 PolarHBondContact O-N 2.69Å; H397-I399 PolarHBondContact O-N 2.99Å |
| 398 | V | 29.7 | Very low | 30.9 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | | | trans | -75.7 | 111.2 | 167 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | S396 S400 | S396-V398 VanDerWaalsContact C-N 3.25Å; S396-V398 PolarHBondContact O-N 2.72Å; V398-S400 PolarHBondContact O-N 2.75Å; V398-S400 VanDerWaalsContact O-N 3.1Å |
| 399 | I | 28.3 | Very low | 31.1 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -71.3 | 101.7 | 173.7 | -59.3 | 172.5 | 0 | 0 | 0 | 108.3 | H397 | H397-I399 PolarHBondContact O-N 2.99Š|
| 400 | S | 32.4 | Very low | 31 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -100 | 113.7 | 174.4 | -169.1 | 0 | 0 | 0 | 0 | 110.7 | V398 S402 | V398-S400 PolarHBondContact O-N 2.75Å; V398-S400 VanDerWaalsContact O-N 3.1Å; S400-S402 PolarHBondContact O-N 3.23Å |
| 401 | K | 33.8 | Very low | 31.1 | Very low | 200 Ų | 200 | 145.4 Ų | 145.4 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | | | trans | -72.5 | 100.1 | 169.6 | -84.1 | -178.5 | 173 | 175.6 | 0 | 109.1 | R403 | K401-R403 PolarHBondContact O-N 2.94Š|
| 402 | S | 33.4 | Very low | 31.1 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | -69.8 | 96.1 | 170.7 | 44.4 | 0 | 0 | 0 | 0 | 111.1 | S400 | S400-S402 PolarHBondContact O-N 3.23Š|
| 403 | R | 34.6 | Very low | 31.5 | Very low | 246 Ų | 246 | 147 Ų | 147 | 93% | 0.928 | 80% | 0.801 | S | S | * | * | | | trans | -69.8 | 133.7 | 154.9 | -95.9 | -169.4 | 170.5 | -163.9 | -2.3 | 108.6 | K401 | K401-R403 PolarHBondContact O-N 2.94Š|
| 404 | Q | 31.9 | Very low | 31.7 | Very low | 177 Ų | 177 | 148.6 Ų | 148.6 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | | | trans | -91.5 | 121.8 | -178.3 | -173.6 | 175.9 | 13.7 | 0 | 0 | 109.8 | | |
| 405 | T | 35.4 | Very low | 31.9 | Very low | 139 Ų | 139 | 148.8 Ų | 148.8 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -131.3 | 126.1 | 162.7 | 29.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 406 | V | 34.1 | Very low | 32.1 | Very low | 111 Ų | 111 | 143.6 Ų | 143.6 | 67% | 0.673 | 79% | 0.793 | S | S | * | * | | | trans | -89.8 | 135.1 | 177.9 | 175.6 | 0 | 0 | 0 | 0 | 108.5 | E408 | V406-E408 HydrophobicContact CG1-CG 4.47Š|
| 407 | L | 35.3 | Very low | 32.2 | Very low | 175 Ų | 175 | 144.8 Ų | 144.8 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | | | trans | -147.3 | 137 | 150.3 | -145.3 | 71.7 | 0 | 0 | 0 | 109.5 | | |
| 408 | E | 33.3 | Very low | 32.5 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 77% | 0.771 | 80% | 0.798 | S | S | * | * | | | trans | -91.2 | 151.4 | -171.2 | -59.6 | 171.9 | 109.5 | 0 | 0 | 111.8 | V406 | V406-E408 HydrophobicContact CG1-CG 4.47Š|
| 409 | S | 32.3 | Very low | 32.7 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | | | trans | -161.5 | 78.8 | 163.2 | -79.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 410 | S | 27.8 | Very low | 33.1 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | -85.5 | 117.8 | 174.5 | -68.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 411 | T | 32.1 | Very low | 33.2 | Very low | 131 Ų | 131 | 142 Ų | 142 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | | | trans | -123.6 | 88.6 | 167.1 | 50.8 | 0 | 0 | 0 | 0 | 111 | V413 | T411-V413 PolarHBondContact O-N 3.44Š|
| 412 | T | 30 | Very low | 33.4 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | -73.1 | 117.5 | 166.3 | -54.3 | 0 | 0 | 0 | 0 | 109.2 | I414 | T412-I414 HydrophobicContact CG2-CG1 4.35Š|
| 413 | V | 34 | Very low | 33.5 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | -111.6 | 114.4 | 169.4 | -178.8 | 0 | 0 | 0 | 0 | 109.1 | T411 | T411-V413 PolarHBondContact O-N 3.44Š|
| 414 | I | 32.2 | Very low | 33.8 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 67% | 0.667 | 80% | 0.799 | S | S | * | * | | | trans | -84 | 126.5 | 176.8 | -54.7 | 169.2 | 0 | 0 | 0 | 107.9 | T412 T416 | T412-I414 HydrophobicContact CG2-CG1 4.35Å; I414-T416 WeakPolarHBondContact CG2-OG1 3.35Å |
| 415 | N | 33 | Very low | 34.2 | Very low | 164 Ų | 164 | 138 Ų | 138 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | | | trans | -101.3 | 87.5 | 167.5 | -108.7 | -15.4 | 0 | 0 | 0 | 109.6 | | |
| 416 | T | 34.8 | Very low | 34.1 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | | | trans | -78.2 | 140.4 | 175.4 | -52.3 | 0 | 0 | 0 | 0 | 110.5 | I414 | I414-T416 WeakPolarHBondContact CG2-OG1 3.35Š|
| 417 | S | 29.8 | Very low | 34.1 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | | | trans | -68.6 | 132.1 | 171.5 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 418 | V | 34.3 | Very low | 34 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | | | trans | -133.4 | 129 | 159 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 419 | N | 34.8 | Very low | 34.1 | Very low | 143 Ų | 143 | 136.5 Ų | 136.5 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | | | trans | -86.7 | 120.1 | 175.9 | -177 | 21.7 | 0 | 0 | 0 | 109.5 | | |
| 420 | A | 35.7 | Very low | 34.1 | Very low | 86 Ų | 86 | 135.9 Ų | 135.9 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | -100.1 | 86.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q422 | A420-Q422 PolarHBondContact O-N 2.87Š|
| 421 | N | 35.6 | Very low | 35.1 | Very low | 149 Ų | 149 | 136 Ų | 136 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -70.2 | 124.4 | 158.5 | -79.2 | -18.4 | 0 | 0 | 0 | 108.7 | | |
| 422 | Q | 36.2 | Very low | 35.2 | Very low | 192 Ų | 192 | 134.1 Ų | 134.1 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | | | trans | -127.6 | 122.5 | 161.1 | -76.7 | -167.8 | -10.5 | 0 | 0 | 110.2 | A420 | A420-Q422 PolarHBondContact O-N 2.87Š|
| 423 | S | 37.1 | Very low | 35.6 | Very low | 112 Ų | 112 | 134.9 Ų | 134.9 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | -120.5 | 119.6 | 157.8 | 57.1 | 0 | 0 | 0 | 0 | 107 | | |
| 424 | E | 39.9 | Very low | 36 | Very low | 203 Ų | 203 | 137.1 Ų | 137.1 | 95% | 0.949 | 78% | 0.777 | S | S | * | * | | | trans | -163.9 | 176.6 | 146.3 | -115.1 | 164.4 | -143.5 | 0 | 0 | 111.6 | | |
| 425 | N | 41.2 | Very low | 36.4 | Very low | 148 Ų | 148 | 136.2 Ų | 136.2 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | | | trans | -109.4 | 162.1 | -147.9 | -165.1 | 17.5 | 0 | 0 | 0 | 114.6 | | |
| 426 | S | 33 | Very low | 36.7 | Very low | 93 Ų | 93 | 136.2 Ų | 136.2 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | | | trans | -51.2 | 130.4 | -174.6 | -45.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 427 | Q | 33.9 | Very low | 36.8 | Very low | 181 Ų | 181 | 140 Ų | 140 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | | 180 | 121.2 | 113.4 | -94.4 | 170.2 | 33 | 0 | 0 | 109.4 | | |
| 428 | T | 32.8 | Very low | 37 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | | | | 74 | 96.8 | 78.8 | -52.6 | 0 | 0 | 0 | 0 | 114 | | |
| 429 | I | 36 | Very low | 37.1 | Very low | 166 Ų | 166 | 140 Ų | 140 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | | | | -177 | 135.4 | 128 | -91.8 | 153.7 | 0 | 0 | 0 | 109.1 | | |
| 430 | S | 32.8 | Very low | 37.3 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | -138.3 | -172.8 | 172.6 | -37.6 | 0 | 0 | 0 | 0 | 107.1 | | |
| 431 | P | 47.2 | Very low | 37.2 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | | | cis | -128 | -150.6 | -15.3 | 39.8 | -20.8 | 0 | 0 | 0 | 110.4 | | |
| 432 | S | 34.3 | Very low | 36.7 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | | | | 159 | 109.6 | 115.7 | -179.7 | 0 | 0 | 0 | 0 | 116.1 | | |
| 433 | L | 39 | Very low | 36.3 | Very low | 144 Ų | 144 | 136.7 Ų | 136.7 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | 59.2 | 153.8 | 140.4 | -56.4 | 174.8 | 0 | 0 | 0 | 121.8 | | |
| 434 | E | 43.5 | Very low | 35.8 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 81% | 0.813 | 79% | 0.788 | S | S | * | * | | | cis | -167.5 | 167.9 | -43.4 | -115.9 | -167.3 | 163.1 | 0 | 0 | 109.8 | | |
| 435 | P | 40 | Very low | 35.3 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | trans | -113.6 | 165.8 | -165.3 | 42.1 | -36.5 | 0 | 0 | 0 | 117.4 | | |
| 436 | I | 38.3 | Very low | 34.6 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | | | trans | -145 | 112.2 | 162.9 | -51.2 | 179.2 | 0 | 0 | 0 | 106.4 | | |
| 437 | K | 37.4 | Very low | 34.9 | Very low | 187 Ų | 187 | 133.7 Ų | 133.7 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | | 83.7 | 111.1 | 53.3 | -177.4 | -166.5 | 177.4 | -175.3 | 0 | 113.9 | | |
| 438 | S | 33.4 | Very low | 34.9 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | | 177.7 | 138.9 | 125.5 | -76.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 439 | T | 37.8 | Very low | 34.8 | Very low | 134 Ų | 134 | 132.8 Ų | 132.8 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -104.8 | -173.2 | 162.3 | 11.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 440 | P | 39.2 | Very low | 34.7 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | cis | -114.8 | -127.2 | 8.3 | 27.7 | -1.6 | 0 | 0 | 0 | 111.3 | | |
| 441 | A | 32.5 | Very low | 34.7 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | cis | -157.4 | -178.5 | 6.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 442 | S | 24.9 | Very low | 34 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | trans | -140.4 | 163.8 | 179 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 443 | I | 28.8 | Very low | 33.8 | Very low | 172 Ų | 172 | 132.3 Ų | 132.3 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | | | trans | -150.1 | 150.7 | 160.6 | -111.4 | 164 | 0 | 0 | 0 | 110.6 | | |
| 444 | T | 25.5 | Very low | 33.1 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -130.6 | 150.3 | -178.1 | -57 | 0 | 0 | 0 | 0 | 108.5 | | |
| 445 | I | 30.1 | Very low | 32.4 | Very low | 169 Ų | 169 | 131 Ų | 131 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | | | trans | -167.3 | 158 | 152.6 | -103.4 | 147.9 | 0 | 0 | 0 | 110.1 | | |
| 446 | A | 26.5 | Very low | 31.6 | Very low | 87 Ų | 87 | 135.4 Ų | 135.4 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | | | trans | -127.2 | -151.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 447 | P | 38.4 | Very low | 31.2 | Very low | 115 Ų | 115 | 135.5 Ų | 135.5 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | | | | -125.4 | 154.6 | -107 | 38.2 | -21.8 | 0 | 0 | 0 | 116.6 | | |
| 448 | N | 33.7 | Very low | 30.9 | Very low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | trans | 177.6 | 158.6 | 159.3 | -100.4 | -20 | 0 | 0 | 0 | 107.3 | | |
| 449 | N | 32 | Very low | 30.6 | Very low | 125 Ų | 125 | 140.1 Ų | 140.1 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | | | cis | -167.8 | 171.2 | -18.4 | 52 | -23.7 | 0 | 0 | 0 | 109.3 | | |
| 450 | T | 33.3 | Very low | 30.3 | Very low | 101 Ų | 101 | 141.4 Ų | 141.4 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | | | trans | 77.6 | 116.8 | 149.6 | -51.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 451 | E | 33.9 | Very low | 29.9 | Very low | 162 Ų | 162 | 141.4 Ų | 141.4 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | | | trans | 85.2 | 140.8 | 144.2 | -80.8 | 175.5 | -129.1 | 0 | 0 | 126.7 | | |
| 452 | N | 32 | Very low | 29.8 | Very low | 123 Ų | 123 | 142.8 Ų | 142.8 | 66% | 0.658 | 78% | 0.775 | S | S | * | * | | | trans | 72.1 | 96.6 | 144.7 | -87.5 | -56.5 | 0 | 0 | 0 | 123.6 | | |
| 453 | S | 30.5 | Very low | 30.3 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | | | | 74.9 | 105.5 | 112.4 | -65 | 0 | 0 | 0 | 0 | 122.7 | | |
| 454 | T | 23.8 | Very low | 30.5 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | | 65.3 | 107 | 115.7 | -47.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 455 | L | 28 | Very low | 31 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | | | | -150.6 | 166.5 | 122.5 | -141.1 | 68.1 | 0 | 0 | 0 | 112.5 | | |
| 456 | R | 24.5 | Very low | 31.3 | Very low | 206 Ų | 206 | 143.7 Ų | 143.7 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | | | trans | -98.6 | 166.8 | -174 | -51.8 | 174.1 | -179.4 | -158.7 | -1.5 | 111 | | |
| 457 | I | 29.9 | Very low | 31.6 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | | | trans | -167.7 | 161.5 | 132.8 | -101.1 | 154.3 | 0 | 0 | 0 | 111 | | |
| 458 | Y | 31.2 | Very low | 31.5 | Very low | 197 Ų | 197 | 147.6 Ų | 147.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | -77.9 | 165.3 | -156.4 | -72 | -107.2 | 0 | 0 | 0 | 116.4 | | |
| 459 | F | 26.2 | Very low | 31.8 | Very low | 199 Ų | 199 | 145.6 Ų | 145.6 | 87% | 0.873 | 77% | 0.77 | S | S | * | * | | | trans | -80.5 | 157.2 | 158.4 | -63 | -101.4 | 0 | 0 | 0 | 110.3 | | |
| 460 | N | 31.2 | Very low | 32 | Very low | 161 Ų | 161 | 149 Ų | 149 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | -145.3 | 160.7 | 148.7 | -158.4 | 8.7 | 0 | 0 | 0 | 110.3 | | |
| 461 | V | 30.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 150.7 Ų | 150.7 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | | | trans | -120.7 | 138.2 | -178.2 | -174.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 462 | S | 31.4 | Very low | 32.6 | Very low | 121 Ų | 121 | 150.7 Ų | 150.7 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | | | trans | -103.3 | 116.7 | 172.2 | -65.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 463 | S | 35.5 | Very low | 32.6 | Very low | 110 Ų | 110 | 149.6 Ų | 149.6 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -84.6 | 150.7 | 150.5 | 44.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 464 | E | 33.2 | Very low | 33.2 | Very low | 171 Ų | 171 | 152.2 Ų | 152.2 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | trans | -111.3 | 125.1 | 179.2 | -172.9 | 170.2 | -171.8 | 0 | 0 | 109.3 | | |
| 465 | I | 35.1 | Very low | 34 | Very low | 142 Ų | 142 | 152.7 Ų | 152.7 | 73% | 0.728 | 80% | 0.803 | S | S | * | * | | | trans | -128.4 | 118.3 | 173.6 | -61.6 | 176.2 | 0 | 0 | 0 | 106.8 | | |
| 466 | Q | 35.9 | Very low | 34.9 | Very low | 171 Ų | 171 | 149.6 Ų | 149.6 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | trans | -96 | 124.7 | 163.9 | -74.5 | -168.7 | -14.5 | 0 | 0 | 109.5 | | |
| 467 | N | 32.6 | Very low | 35.5 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -141.7 | 135.1 | 165 | -104.2 | -25.9 | 0 | 0 | 0 | 107.2 | | |
| 468 | T | 37.6 | Very low | 35.9 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | | | trans | -144.9 | 117.1 | 169.3 | -49 | 0 | 0 | 0 | 0 | 108.1 | | |
| 469 | P | 39.6 | Very low | 36.2 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 74% | 0.74 | 79% | 0.789 | S | S | * | * | | | trans | -95.2 | 170.3 | -172.9 | 37.8 | -36 | 0 | 0 | 0 | 112.4 | | |
| 470 | Q | 36.4 | Very low | 36.7 | Very low | 195 Ų | 195 | 134.9 Ų | 134.9 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | | | trans | -135.5 | 146.3 | 154.4 | -165.3 | 167.7 | -1.2 | 0 | 0 | 110 | | |
| 471 | I | 38.1 | Very low | 37.3 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 71% | 0.708 | 78% | 0.776 | S | S | * | * | | | trans | -115.1 | 144.7 | -175.3 | -61.4 | 167.8 | 0 | 0 | 0 | 108.2 | | |
| 472 | D | 40.5 | Very low | 37.7 | Very low | 161 Ų | 161 | 133 Ų | 133 | 86% | 0.861 | 78% | 0.775 | S | S | * | * | | | trans | -141.3 | 161.2 | 153.3 | -149.9 | -18.4 | 0 | 0 | 0 | 110.3 | | |
| 473 | T | 33.2 | Very low | 38.2 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 62% | 0.62 | 78% | 0.776 | S | S | * | * | | | trans | -149.1 | 121.8 | -153.1 | -47.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 474 | T | 43.3 | Very low | 38.2 | Very low | 144 Ų | 144 | 134 Ų | 134 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | | | trans | -148.8 | 146.5 | 159.9 | 46.2 | 0 | 0 | 0 | 0 | 113 | | |
| 475 | T | 39.5 | Very low | 38.7 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | | | trans | -134.8 | -169.7 | -175.1 | 17.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 476 | P | 46.2 | Very low | 38.9 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | | | cis | -130.8 | -171.1 | -42.5 | 35 | -17.4 | 0 | 0 | 0 | 112.1 | | |
| 477 | S | 37.1 | Very low | 39.1 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | | | | 155.6 | 136.7 | 119.4 | -68 | 0 | 0 | 0 | 0 | 116.4 | | |
| 478 | S | 38.9 | Very low | 39.4 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 76% | 0.762 | S | S | * | * | | | trans | 59.2 | 147.6 | 152.2 | 49.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 479 | S | 38.8 | Very low | 39.4 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | cis | -164.5 | 157.9 | -5 | 39.9 | 0 | 0 | 0 | 0 | 112 | | |
| 480 | T | 36 | Very low | 39.5 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 75% | 0.749 | S | S | * | * | | | trans | -111.7 | -157.7 | 170.9 | 58.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 481 | P | 44.1 | Very low | 39.6 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | | | cis | -143.6 | -165.1 | -9.4 | 28.4 | -0.6 | 0 | 0 | 0 | 115.7 | | |
| 482 | I | 38.1 | Very low | 39.5 | Very low | 146 Ų | 146 | 130 Ų | 130 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | trans | 72.6 | 118.6 | 154 | -41.3 | -175.3 | 0 | 0 | 0 | 121.4 | | |
| 483 | V | 41.5 | Very low | 39.5 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 87% | 0.873 | 74% | 0.736 | S | S | * | * | | | | -146.3 | 151.3 | 119.3 | 178.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 484 | T | 37 | Very low | 39.6 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 66% | 0.656 | 75% | 0.748 | S | S | * | * | | | trans | -152.4 | 136.8 | -178.8 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 485 | E | 43 | Very low | 39.3 | Very low | 185 Ų | 185 | 128 Ų | 128 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | | | trans | 174.1 | 172.7 | 158.1 | -103.9 | 166.7 | -156.8 | 0 | 0 | 111 | | |
| 486 | N | 39.9 | Very low | 39.1 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | | | | -162.7 | 138.1 | -74.4 | -93.8 | -16 | 0 | 0 | 0 | 112.3 | | |
| 487 | N | 40.8 | Very low | 38.6 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | | | trans | 64.6 | 123.9 | 146.1 | -60.3 | -22.9 | 0 | 0 | 0 | 124.7 | | |
| 488 | N | 38.5 | Very low | 38.6 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | | 92.9 | 142.5 | 123.3 | -89.2 | -22 | 0 | 0 | 0 | 125.4 | | |
| 489 | F | 37.8 | Very low | 38.2 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | 75.2 | 144 | 148.5 | -90.2 | -130.5 | 0 | 0 | 0 | 118.7 | | |
| 490 | N | 40.3 | Very low | 38 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 56% | 0.556 | 74% | 0.738 | S | S | * | * | | | cis | -168.7 | 141.3 | -8.9 | -165.9 | 31.3 | 0 | 0 | 0 | 113.9 | | |
| 491 | Q | 39.9 | Very low | 37.7 | Very low | 138 Ų | 138 | 128.8 Ų | 128.8 | 65% | 0.645 | 74% | 0.735 | S | S | * | * | | | trans | 55.9 | 135.3 | 143.8 | -89.9 | 174.6 | 69.9 | 0 | 0 | 126.4 | | |
| 492 | N | 36.4 | Very low | 37.1 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | | | trans | 90.3 | 130.2 | 132.1 | -66.6 | -17.6 | 0 | 0 | 0 | 123.5 | | |
| 493 | G | 39.4 | Very low | 36.6 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | | | trans | 135.4 | 72.5 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 494 | K | 35.1 | Very low | 36 | Very low | 201 Ų | 201 | 132.2 Ų | 132.2 | 87% | 0.874 | 74% | 0.737 | S | S | * | * | | | | 71.8 | 123 | 62.3 | -164.1 | -144.6 | 173 | -172 | 0 | 114.6 | | |
| 495 | A | 38.1 | Very low | 35.6 | Very low | 87 Ų | 87 | 133.6 Ų | 133.6 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | | | trans | 108 | 145.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 496 | V | 34.5 | Very low | 34.8 | Very low | 124 Ų | 124 | 133 Ų | 133 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | | | cis | -173.9 | 147.9 | -33.3 | 111 | 0 | 0 | 0 | 0 | 109.1 | | |
| 497 | S | 36.5 | Very low | 34.3 | Very low | 89 Ų | 89 | 135 Ų | 135 | 62% | 0.622 | 74% | 0.741 | S | S | * | * | | | trans | 63.9 | 159.8 | 163.6 | -77.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 498 | E | 36.8 | Very low | 33.7 | Very low | 177 Ų | 177 | 133.9 Ų | 133.9 | 83% | 0.827 | 74% | 0.738 | S | S | * | * | | | cis | -146.7 | 146.7 | -0.8 | -135.7 | 132.6 | -114.4 | 0 | 0 | 111.5 | | |
| 499 | S | 30.5 | Very low | 33.2 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | trans | -89.4 | 161.2 | 170.8 | -42 | 0 | 0 | 0 | 0 | 111.6 | | |
| 500 | T | 34.3 | Very low | 32.8 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | | | trans | 162.8 | 103 | 146.7 | -72 | 0 | 0 | 0 | 0 | 107.2 | | |
| 501 | A | 28.8 | Very low | 32.5 | Very low | 89 Ų | 89 | 138.3 Ų | 138.3 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | | 69.3 | 100.7 | 51.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 502 | Q | 32 | Very low | 32.2 | Very low | 186 Ų | 186 | 135.1 Ų | 135.1 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | | | trans | -162.4 | 131.2 | 147.2 | -119.5 | 151.2 | 109.2 | 0 | 0 | 112.6 | | |
| 503 | L | 27.5 | Very low | 32.2 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | | | trans | -85.6 | 153.5 | 163 | -61.3 | 79.5 | 0 | 0 | 0 | 108.6 | | |
| 504 | N | 29.2 | Very low | 32 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | | | | -177.7 | 151.7 | 106.1 | -106.5 | 23.5 | 0 | 0 | 0 | 114.3 | | |
| 505 | E | 29.1 | Very low | 31.9 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | trans | 57.7 | 110.4 | 145.1 | -70.9 | -174.1 | -102.2 | 0 | 0 | 120 | | |
| 506 | K | 26.3 | Very low | 31.9 | Very low | 174 Ų | 174 | 134.8 Ų | 134.8 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | | | | 81 | 100.9 | 68.9 | 168.9 | -161.2 | 161.6 | -163.1 | 0 | 112.7 | | |
| 507 | L | 29.7 | Very low | 31.8 | Very low | 162 Ų | 162 | 135 Ų | 135 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | | | trans | -147.8 | 141.5 | 148.4 | -163.1 | 59.6 | 0 | 0 | 0 | 110.9 | | |
| 508 | V | 26.1 | Very low | 31.6 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 67% | 0.667 | 78% | 0.778 | S | S | * | * | | | trans | -101.4 | 133.9 | 175.3 | 174.2 | 0 | 0 | 0 | 0 | 108.7 | F510 | V508-F510 HydrophobicContact CG1-CD2 4.22Š|
| 509 | H | 29.6 | Very low | 31.5 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | | | trans | -139.3 | 138.1 | 163.7 | -112.5 | 46.1 | 0 | 0 | 0 | 111.7 | | |
| 510 | F | 27.9 | Very low | 31.5 | Very low | 193 Ų | 193 | 137.9 Ų | 137.9 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | | | trans | -132.5 | 127.3 | 178.7 | -101.2 | -81.7 | 0 | 0 | 0 | 108.3 | V508 | V508-F510 HydrophobicContact CG1-CD2 4.22Š|
| 511 | T | 35.6 | Very low | 31.6 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -144.6 | 114.3 | 170.1 | 35.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 512 | G | 33.8 | Very low | 31.9 | Very low | 71 Ų | 71 | 146.3 Ų | 146.3 | 73% | 0.732 | 79% | 0.786 | S | S | * | * | | | trans | -84.4 | -156.8 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 513 | P | 36.3 | Very low | 32.5 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | cis | -116.9 | -162.4 | 12.8 | 37.8 | -18.9 | 0 | 0 | 0 | 111.3 | | |
| 514 | A | 33.7 | Very low | 33.4 | Very low | 97 Ų | 97 | 141.6 Ų | 141.6 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | cis | -150.9 | -170.7 | 18.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 515 | S | 33.3 | Very low | 34.1 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -90.4 | 175.8 | -164.7 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 516 | E | 37.8 | Very low | 34.9 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | | -151.1 | 141.8 | 60.8 | -73.4 | -168.1 | 151.5 | 0 | 0 | 117.6 | | |
| 517 | T | 32.1 | Very low | 35.9 | Very low | 128 Ų | 128 | 139.6 Ų | 139.6 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | | | trans | 40.1 | 116.7 | 149.6 | 60.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 518 | N | 33.9 | Very low | 36.6 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | | | trans | -147.4 | 161.8 | 137.5 | -144.9 | -32.6 | 0 | 0 | 0 | 111.7 | | |
| 519 | I | 33.6 | Very low | 37.5 | Very low | 150 Ų | 150 | 141 Ų | 141 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 120.3 | -160.1 | -56.7 | 174.5 | 0 | 0 | 0 | 112.6 | | |
| 520 | T | 31.4 | Very low | 38.1 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 76% | 0.761 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 125.1 | -176.5 | -61.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 521 | F | 36.2 | Very low | 38.6 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 129.6 | 163.1 | -78.5 | -96.9 | 0 | 0 | 0 | 110.5 | V523 | F521-V523 PolarHBondContact O-N 2.97Š|
| 522 | K | 35.6 | Very low | 39.5 | Very low | 203 Ų | 203 | 138.9 Ų | 138.9 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -78.1 | 106.9 | 178.8 | -72 | -169.8 | 175.3 | -173.2 | 0 | 112 | | |
| 523 | V | 44 | Very low | 40 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 137 | 162.3 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | F521 S525 | F521-V523 PolarHBondContact O-N 2.97Å; V523-S525 PolarHBondContact O-N 2.75Å |
| 524 | P | 45.7 | Very low | 40.7 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 71% | 0.714 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 121.1 | 171.2 | -18.1 | 31.8 | 0 | 0 | 0 | 110.7 | L526 | P524-L526 PolarHBondContact O-N 3.18Š|
| 525 | S | 44.3 | Very low | 41.6 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 123.7 | 174.8 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | V523 | V523-S525 PolarHBondContact O-N 2.75Š|
| 526 | L | 47.1 | Very low | 42.4 | Very low | 155 Ų | 155 | 145 Ų | 145 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -63 | 149.3 | 169.5 | -82.8 | 74.3 | 0 | 0 | 0 | 110.3 | P524 K528 | P524-L526 PolarHBondContact O-N 3.18Å; L526-K528 PolarHBondContact O-N 3.34Å |
| 527 | P | 46.7 | Very low | 43 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 134.2 | 176 | 27.9 | -34.1 | 0 | 0 | 0 | 110.5 | A529 | P527-A529 PolarHBondContact O-N 2.93Š|
| 528 | K | 44.1 | Very low | 43.9 | Very low | 204 Ų | 204 | 142 Ų | 142 | 89% | 0.887 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 130.8 | 164.7 | -81.7 | -171.3 | 171.5 | -172.1 | 0 | 108.6 | L526 | L526-K528 PolarHBondContact O-N 3.34Š|
| 529 | A | 44 | Very low | 44.9 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 138.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | P527 S531 | P527-A529 PolarHBondContact O-N 2.93Å; A529-S531 PolarHBondContact O-N 2.84Å |
| 530 | Q | 42.8 | Very low | 45.9 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 125.9 | 176.4 | -66.5 | 174.5 | -98.3 | 0 | 0 | 109 | | |
| 531 | S | 39.3 | Very low | 47.3 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 129 | 160.1 | 45.8 | 0 | 0 | 0 | 0 | 108.5 | A529 | A529-S531 PolarHBondContact O-N 2.84Š|
| 532 | F | 53.7 | Low | 48.4 | Very low | 183 Ų | 183 | 137 Ų | 137 | 80% | 0.803 | 79% | 0.789 | S | S | * | * | | | trans | -96.2 | 107.3 | 160.3 | -79.3 | -90.1 | 0 | 0 | 0 | 106.8 | | |
| 533 | D | 45.5 | Very low | 49.7 | Very low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | trans | -66.6 | 139.7 | 152.3 | -70 | -64.2 | 0 | 0 | 0 | 108.1 | | |
| 534 | D | 51.2 | Low | 50.6 | Low | 151 Ų | 151 | 134.5 Ų | 134.5 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | | | trans | -164.8 | 90.9 | 144.3 | -104.6 | -30.7 | 0 | 0 | 0 | 110.6 | | |
| 535 | S | 50.8 | Low | 51.3 | Low | 89 Ų | 89 | 135.7 Ų | 135.7 | 62% | 0.622 | 78% | 0.781 | S | S | * | * | | | trans | 61 | 115.6 | 131.7 | -62.7 | 0 | 0 | 0 | 0 | 122.9 | | |
| 536 | N | 49.9 | Very low | 52 | Low | 152 Ų | 152 | 137.4 Ų | 137.4 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | 77.8 | 129.1 | 133.4 | -55 | 9.4 | 0 | 0 | 0 | 119.2 | | |
| 537 | G | 50.9 | Low | 52.6 | Low | 75 Ų | 75 | 136.6 Ų | 136.6 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | trans | 175.2 | 56.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 538 | D | 52.1 | Low | 53.3 | Low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | -62.8 | 148.6 | 179.7 | -46.6 | -62.2 | 0 | 0 | 0 | 111.3 | | |
| 539 | G | 53.7 | Low | 53.9 | Low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | trans | 176.7 | 68.5 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 540 | D | 55.8 | Low | 54.7 | Low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | -61 | 150.5 | 163.7 | -45.7 | -71.3 | 0 | 0 | 0 | 109.9 | | |
| 541 | D | 59.5 | Low | 55.4 | Low | 161 Ų | 161 | 134.5 Ų | 134.5 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | | | | -166.3 | 139.2 | 128.4 | -95.7 | -22.7 | 0 | 0 | 0 | 107.9 | | |
| 542 | D | 60.3 | Low | 56.5 | Low | 142 Ų | 142 | 136.7 Ų | 136.7 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | | | trans | -74.2 | 168 | -175 | -54.6 | -72.8 | 0 | 0 | 0 | 112.6 | | |
| 543 | D | 61.7 | Low | 56.8 | Low | 145 Ų | 145 | 134.5 Ų | 134.5 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | | | | 174.5 | 122.1 | 117.1 | -87.7 | -10.6 | 0 | 0 | 0 | 111.9 | | |
| 544 | D | 63.4 | Low | 57.5 | Low | 132 Ų | 132 | 135.1 Ų | 135.1 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | 55.2 | 113.4 | 136.8 | -61.6 | 1.4 | 0 | 0 | 0 | 122.1 | | |
| 545 | D | 61.3 | Low | 57.9 | Low | 135 Ų | 135 | 135.5 Ų | 135.5 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | | | | 43.7 | 120.9 | 115.4 | -56.8 | -4 | 0 | 0 | 0 | 119 | | |
| 546 | N | 58.8 | Low | 58.4 | Low | 154 Ų | 154 | 137.6 Ų | 137.6 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | | -159.6 | 145.4 | 89.4 | -105.4 | -90.9 | 0 | 0 | 0 | 111.9 | | |
| 547 | D | 59.8 | Low | 58.9 | Low | 138 Ų | 138 | 137.4 Ų | 137.4 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | trans | -55.9 | 145.5 | 157.8 | -52.4 | -59.6 | 0 | 0 | 0 | 109.5 | | |
| 548 | D | 59.9 | Low | 59.3 | Low | 148 Ų | 148 | 140.3 Ų | 140.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | | -158.3 | 146.2 | 105.7 | -126.8 | -30.1 | 0 | 0 | 0 | 114 | | |
| 549 | N | 58.7 | Low | 59.6 | Low | 126 Ų | 126 | 140.6 Ų | 140.6 | 67% | 0.674 | 77% | 0.769 | S | S | * | * | | | trans | -56.9 | 144.6 | 174 | -50.5 | -92.6 | 0 | 0 | 0 | 111.3 | | |
| 550 | N | 59 | Low | 59.8 | Low | 138 Ų | 138 | 142.7 Ų | 142.7 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | | | | -165.5 | 144.7 | 102.4 | -129.9 | 58.4 | 0 | 0 | 0 | 112.7 | | |
| 551 | D | 58.3 | Low | 59.9 | Low | 135 Ų | 135 | 141.8 Ų | 141.8 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | | | trans | -67.9 | 159.4 | 155.6 | -47.8 | -77.4 | 0 | 0 | 0 | 110.1 | | |
| 552 | D | 61.4 | Low | 59.8 | Low | 152 Ų | 152 | 141.2 Ų | 141.2 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | | | | -168.4 | 133.8 | 125.7 | -98.4 | -22.6 | 0 | 0 | 0 | 110.7 | | |
| 553 | D | 60.4 | Low | 59.8 | Low | 137 Ų | 137 | 142.5 Ų | 142.5 | 73% | 0.733 | 76% | 0.762 | S | S | * | * | | | trans | -61.7 | 165.3 | -177.6 | -53.4 | -53.8 | 0 | 0 | 0 | 113.6 | | |
| 554 | N | 60.1 | Low | 59.6 | Low | 154 Ų | 154 | 141.7 Ų | 141.7 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | | | trans | -169.2 | 85.2 | 134.3 | -94.3 | -63.2 | 0 | 0 | 0 | 109.6 | | |
| 555 | D | 59.2 | Low | 59.1 | Low | 159 Ų | 159 | 141.7 Ų | 141.7 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | | | trans | -69.1 | 128.8 | 147 | -70.2 | -45.1 | 0 | 0 | 0 | 107 | | |
| 556 | D | 63.1 | Low | 58.8 | Low | 133 Ų | 133 | 142 Ų | 142 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | trans | -140.4 | 81.2 | 176.4 | -147.7 | 5.8 | 0 | 0 | 0 | 109.3 | N558 | D556-N558 PolarHBondContact O-N 2.85Š|
| 557 | D | 60.1 | Low | 58.6 | Low | 147 Ų | 147 | 140.2 Ų | 140.2 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | -58.5 | 128.8 | 176.9 | -73 | -46.5 | 0 | 0 | 0 | 110.8 | | |
| 558 | N | 59.3 | Low | 58.1 | Low | 136 Ų | 136 | 142.1 Ų | 142.1 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | -139.9 | 48 | 171.2 | -112.7 | -64.1 | 0 | 0 | 0 | 111.7 | D556 N560 | D556-N558 PolarHBondContact O-N 2.85Å; N558-N560 PolarHBondContact O-N 2.74Å; N558-N560 VanDerWaalsContact O-N 3.12Å |
| 559 | D | 57.2 | Low | 57.7 | Low | 164 Ų | 164 | 143.1 Ų | 143.1 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | | | trans | -62.9 | 101.5 | 157 | -89.5 | -16.3 | 0 | 0 | 0 | 108.4 | | |
| 560 | N | 58.7 | Low | 56.8 | Low | 116 Ų | 116 | 139.8 Ų | 139.8 | 62% | 0.62 | 76% | 0.755 | S | S | * | * | | | trans | -148.9 | 101.9 | 173.8 | -150.8 | 91.2 | 0 | 0 | 0 | 114.3 | N558 | N558-N560 PolarHBondContact O-N 2.74Å; N558-N560 VanDerWaalsContact O-N 3.12Å |
| 561 | D | 56.9 | Low | 56.4 | Low | 125 Ų | 125 | 140.9 Ų | 140.9 | 67% | 0.668 | 76% | 0.761 | S | S | * | * | | | trans | 71.9 | 133.8 | 150.2 | -55.8 | -18.7 | 0 | 0 | 0 | 122.2 | | |
| 562 | D | 58.5 | Low | 55.7 | Low | 149 Ų | 149 | 142.8 Ų | 142.8 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | 48.4 | 110.9 | 142.9 | -59.7 | -12.5 | 0 | 0 | 0 | 120.7 | | |
| 563 | D | 60.8 | Low | 55.3 | Low | 169 Ų | 169 | 140.4 Ų | 140.4 | 90% | 0.904 | 77% | 0.767 | S | S | * | * | | | | -152.6 | 148.9 | 95 | -130 | -24.6 | 0 | 0 | 0 | 112.5 | | |
| 564 | D | 56.1 | Low | 54.9 | Low | 129 Ų | 129 | 138.8 Ų | 138.8 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | | | trans | -102.5 | 156.3 | -156 | -155.4 | 15.1 | 0 | 0 | 0 | 114.6 | | |
| 565 | N | 53.6 | Low | 54.9 | Low | 131 Ų | 131 | 140.9 Ų | 140.9 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | 24.5 | 117.8 | 159.3 | -69.5 | -57.8 | 0 | 0 | 0 | 120.8 | | |
| 566 | N | 55.4 | Low | 55.4 | Low | 143 Ų | 143 | 137.1 Ų | 137.1 | 77% | 0.765 | 75% | 0.745 | S | S | * | * | | | | -159.1 | 133.3 | 114.3 | -142.9 | 61.4 | 0 | 0 | 0 | 117.4 | | |
| 567 | D | 54.6 | Low | 55.7 | Low | 115 Ų | 115 | 137.7 Ų | 137.7 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | | | trans | 25.5 | 118.6 | 155 | -62 | -36 | 0 | 0 | 0 | 123.9 | | |
| 568 | Q | 48.9 | Very low | 56.4 | Low | 179 Ų | 179 | 139.7 Ų | 139.7 | 84% | 0.836 | 74% | 0.742 | S | S | * | * | | | | 29.6 | 109.7 | 116.6 | -53.2 | -173.7 | 25.1 | 0 | 0 | 119.3 | | |
| 569 | N | 51.9 | Low | 57.1 | Low | 169 Ų | 169 | 140.3 Ų | 140.3 | 90% | 0.904 | 74% | 0.74 | S | S | * | * | | | | -161.3 | 149.1 | 100.4 | -147.2 | -18.2 | 0 | 0 | 0 | 111.3 | | |
| 570 | G | 39.9 | Very low | 57.7 | Low | 56 Ų | 56 | 136.6 Ų | 136.6 | 58% | 0.577 | 72% | 0.72 | S | S | * | * | | | trans | -101 | 137.1 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 571 | N | 49.5 | Very low | 58.4 | Low | 160 Ų | 160 | 140 Ų | 140 | 86% | 0.856 | 72% | 0.724 | S | S | * | * | | | trans | -168.6 | 60.8 | 153.6 | -105.7 | -28 | 0 | 0 | 0 | 113.1 | S573 | N571-S573 PolarHBondContact O-N 2.04Š|
| 572 | N | 44.8 | Very low | 59.2 | Low | 175 Ų | 175 | 137.1 Ų | 137.1 | 94% | 0.936 | 71% | 0.714 | S | S | * | * | | | trans | -79.5 | 85.2 | 176.4 | -74.6 | 2.8 | 0 | 0 | 0 | 111.7 | | |
| 573 | S | 52.6 | Low | 59.9 | Low | 103 Ų | 103 | 135 Ų | 135 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | | | trans | -105 | 124.9 | 161.9 | -168.1 | 0 | 0 | 0 | 0 | 109.1 | N571 | N571-S573 PolarHBondContact O-N 2.04Š|
| 574 | P | 51 | Low | 60.4 | Low | 103 Ų | 103 | 132 Ų | 132 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -70.6 | 133.7 | -177.9 | 28.3 | -33.6 | 0 | 0 | 0 | 111.3 | | |
| 575 | F | 60.4 | Low | 61.2 | Low | 198 Ų | 198 | 130.1 Ų | 130.1 | 87% | 0.868 | 68% | 0.676 | S | S | * | * | | | trans | 70.1 | 89.1 | -179.5 | -52.2 | -81.6 | 0 | 0 | 0 | 116.2 | M577 | F575-M577 PolarHBondContact O-N 3.27Š|
| 576 | D | 69.8 | Low | 62.2 | Low | 80 Ų | 80 | 128.4 Ų | 128.4 | 43% | 0.428 | 67% | 0.667 | S | S | . | * | | | trans | -72.1 | 120.7 | 160.5 | -173.1 | -2.3 | 0 | 0 | 0 | 109.8 | R578 E579 | D576-R578 HydrophobicContact CB-CB 4.47Å; D576-R578 PolarHBondContact O-N 3.42Å; D576-R578 VanDerWaalsContact OD1-CB 3.25Å; D576-R578 WeakPolarHBondContact OD1-CB 3.43Å; D576-R578 PolarHBondContact OD1-N 2.73Å; D576-R578 WeakPolarHBondContact OD2-CB 3.46Å; D576-R578 IonicContact OD2-NE 3.11Å; D576-R578 PolarHBondContact OD2-NE 3.37Å; D576-R578 VanDerWaalsContact OD2-NE 3.11Å; D576-E579 PolarHBondContact O-N 3.19Å |
| 577 | M | 70.5 | Confident | 62.7 | Low | 144 Ų | 144 | 126.2 Ų | 126.2 | 71% | 0.709 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -53.5 | -21 | 171.4 | -71.5 | -78.6 | -78.6 | 0 | 0 | 113.4 | F575 L580 R581 | F575-M577 PolarHBondContact O-N 3.27Å; M577-L580 HydrophobicContact SD-CD2 4.47Å; M577-R581 WeakPolarHBondContact O-CB 3.41Å; M577-R581 PolarHBondContact O-N 3.13Å |
| 578 | R | 73.2 | Confident | 62.9 | Low | 189 Ų | 189 | 128 Ų | 128 | 71% | 0.713 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -66.5 | -38.6 | 174.6 | -158.9 | -173.3 | -48.3 | -119.6 | -5.5 | 112.9 | D576 R581 S582 | D576-R578 HydrophobicContact CB-CB 4.47Å; D576-R578 PolarHBondContact O-N 3.42Å; D576-R578 VanDerWaalsContact OD1-CB 3.25Å; D576-R578 WeakPolarHBondContact OD1-CB 3.43Å; D576-R578 PolarHBondContact OD1-N 2.73Å; D576-R578 WeakPolarHBondContact OD2-CB 3.46Å; D576-R578 IonicContact OD2-NE 3.11Å; D576-R578 PolarHBondContact OD2-NE 3.37Å; D576-R578 VanDerWaalsContact OD2-NE 3.11Å; R578-R581 PolarHBondContact O-N 3.04Å; R578-S582 WeakPolarHBondContact O-CB 3.45Å; R578-S582 PolarHBondContact O-N 2.86Å |
| 579 | E | 74.1 | Confident | 63.6 | Low | 149 Ų | 149 | 123.5 Ų | 123.5 | 70% | 0.696 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.3 | -45.5 | 174.2 | -72.2 | -160 | 122.9 | 0 | 0 | 110.8 | D576 R581 S582 L583 | D576-E579 PolarHBondContact O-N 3.19Å; E579-R581 PolarHBondContact O-N 2.72Å; E579-S582 CarbonylContact O-C 3.59Å; E579-S582 WeakPolarHBondContact O-CA 2.97Å; E579-S582 VanDerWaalsContact O-CB 3.31Å; E579-S582 WeakPolarHBondContact O-CB 3.45Å; E579-S582 PolarHBondContact O-N 3.15Å; E579-L583 PolarHBondContact O-N 2.67Å |
| 580 | L | 69.6 | Low | 63.9 | Low | 86 Ų | 86 | 122.7 Ų | 122.7 | 45% | 0.45 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -57.7 | -40.1 | 176.7 | -164.7 | 75.1 | 0 | 0 | 0 | 111.4 | M577 L583 L584 | M577-L580 HydrophobicContact SD-CD2 4.47Å; L580-L583 PolarHBondContact O-N 3.48Å; L580-L584 WeakPolarHBondContact O-CD1 3.42Å; L580-L584 PolarHBondContact O-N 2.97Å |
| 581 | R | 74.3 | Confident | 64.5 | Low | 187 Ų | 187 | 127.2 Ų | 127.2 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.5 | -34.7 | 175.6 | -162.2 | 174.8 | -170.7 | -177.3 | 3.2 | 112.9 | M577 R578 E579 N585 | M577-R581 WeakPolarHBondContact O-CB 3.41Å; M577-R581 PolarHBondContact O-N 3.13Å; R578-R581 PolarHBondContact O-N 3.04Å; E579-R581 PolarHBondContact O-N 2.72Å; R581-N585 PolarHBondContact O-N 2.62Å; R581-N585 VanDerWaalsContact O-N 3.14Å; R581-N585 PolarHBondContact O-OD1 2.96Å |
| 582 | S | 74.1 | Confident | 64.3 | Low | 65 Ų | 65 | 124.8 Ų | 124.8 | 46% | 0.455 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.1 | -44.9 | 171.7 | -167.1 | 0 | 0 | 0 | 0 | 111.3 | R578 E579 L584 N585 N586 | R578-S582 WeakPolarHBondContact O-CB 3.45Å; R578-S582 PolarHBondContact O-N 2.86Å; E579-S582 CarbonylContact O-C 3.59Å; E579-S582 WeakPolarHBondContact O-CA 2.97Å; E579-S582 VanDerWaalsContact O-CB 3.31Å; E579-S582 WeakPolarHBondContact O-CB 3.45Å; E579-S582 PolarHBondContact O-N 3.15Å; S582-L584 PolarHBondContact O-N 3.33Å; S582-N585 PolarHBondContact O-N 3.14Å; S582-N586 PolarHBondContact O-N 3.46Å |
| 583 | L | 73.6 | Confident | 64.5 | Low | 105 Ų | 105 | 122.8 Ų | 122.8 | 55% | 0.55 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -62.8 | -43.6 | 178.7 | -157.8 | 79 | 0 | 0 | 0 | 111.9 | E579 L580 N586 I587 | E579-L583 PolarHBondContact O-N 2.67Å; L580-L583 PolarHBondContact O-N 3.48Å; L583-N586 PolarHBondContact O-N 3.49Å; L583-I587 HydrophobicContact CG-CD1 4.5Å; L583-I587 WeakPolarHBondContact O-CG1 3.02Å; L583-I587 PolarHBondContact O-N 3.34Å |
| 584 | L | 71.6 | Confident | 64.3 | Low | 105 Ų | 105 | 124.6 Ų | 124.6 | 55% | 0.55 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -61.2 | -45.8 | 174.7 | -99.7 | 65.2 | 0 | 0 | 0 | 112.3 | L580 S582 N586 I587 E588 | L580-L584 WeakPolarHBondContact O-CD1 3.42Å; L580-L584 PolarHBondContact O-N 2.97Å; S582-L584 PolarHBondContact O-N 3.33Å; L584-N586 VanDerWaalsContact C-N 3.28Å; L584-N586 PolarHBondContact O-N 3.48Å; L584-I587 PolarHBondContact O-N 2.92Å; L584-E588 PolarHBondContact O-N 2.81Å; L584-E588 VanDerWaalsContact O-N 3.11Å |
| 585 | N | 72.1 | Confident | 64.2 | Low | 91 Ų | 91 | 127.2 Ų | 127.2 | 49% | 0.487 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -61.2 | -37.8 | 176.8 | -70.3 | -2.5 | 0 | 0 | 0 | 111.9 | R581 S582 E588 T589 | R581-N585 PolarHBondContact O-N 2.62Å; R581-N585 VanDerWaalsContact O-N 3.14Å; R581-N585 PolarHBondContact O-OD1 2.96Å; S582-N585 PolarHBondContact O-N 3.14Å; N585-E588 PolarHBondContact O-N 3.42Å; N585-T589 PolarHBondContact O-N 2.73Å |
| 586 | N | 73.4 | Confident | 64.6 | Low | 95 Ų | 95 | 122.6 Ų | 122.6 | 51% | 0.508 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -72.4 | -29.5 | 177.9 | -74.2 | -19.6 | 0 | 0 | 0 | 113.1 | S582 L583 L584 T589 L590 | S582-N586 PolarHBondContact O-N 3.46Å; L583-N586 PolarHBondContact O-N 3.49Å; L584-N586 VanDerWaalsContact C-N 3.28Å; L584-N586 PolarHBondContact O-N 3.48Å; N586-T589 PolarHBondContact O-OG1 2.84Å; N586-T589 VanDerWaalsContact O-OG1 3.05Å; N586-L590 WeakPolarHBondContact O-CB 3.31Å; N586-L590 PolarHBondContact O-N 3.41Å |
| 587 | I | 67.2 | Low | 64.9 | Low | 96 Ų | 96 | 124.2 Ų | 124.2 | 49% | 0.492 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -69.8 | -36.2 | 171.6 | -68.3 | 164 | 0 | 0 | 0 | 110.6 | L583 L584 T589 H591 | L583-I587 HydrophobicContact CG-CD1 4.5Å; L583-I587 WeakPolarHBondContact O-CG1 3.02Å; L583-I587 PolarHBondContact O-N 3.34Å; L584-I587 PolarHBondContact O-N 2.92Å; I587-T589 VanDerWaalsContact C-N 3.35Å; I587-T589 PolarHBondContact O-N 3.5Å; I587-H591 PolarHBondContact O-CD2 3.49Å |
| 588 | E | 59.4 | Low | 65 | Low | 154 Ų | 154 | 122.5 Ų | 122.5 | 72% | 0.72 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.9 | -35.2 | 175.7 | -170.5 | 165.6 | -156 | 0 | 0 | 112.4 | L584 N585 | L584-E588 PolarHBondContact O-N 2.81Å; L584-E588 VanDerWaalsContact O-N 3.11Å; N585-E588 PolarHBondContact O-N 3.42Å |
| 589 | T | 62.5 | Low | 65 | Low | 83 Ų | 83 | 119.1 Ų | 119.1 | 51% | 0.509 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -77.6 | -37.9 | 174.9 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | N585 N586 I587 H591 T592 | N585-T589 PolarHBondContact O-N 2.73Å; N586-T589 PolarHBondContact O-OG1 2.84Å; N586-T589 VanDerWaalsContact O-OG1 3.05Å; I587-T589 VanDerWaalsContact C-N 3.35Å; I587-T589 PolarHBondContact O-N 3.5Å; T589-H591 PolarHBondContact O-N 3.31Å; T589-H591 VanDerWaalsContact O-N 3.13Å; T589-T592 WeakPolarHBondContact O-CB 3.41Å; T589-T592 PolarHBondContact O-N 2.95Å; T589-T592 PolarHBondContact O-OG1 3.36Å |
| 590 | L | 57.6 | Low | 65 | Low | 153 Ų | 153 | 117.8 Ų | 117.8 | 80% | 0.801 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.9 | -19 | -176.3 | -156.2 | 71.3 | 0 | 0 | 0 | 113.8 | N586 | N586-L590 WeakPolarHBondContact O-CB 3.31Å; N586-L590 PolarHBondContact O-N 3.41Å |
| 591 | H | 54.2 | Low | 64.7 | Low | 150 Ų | 150 | 122.6 Ų | 122.6 | 69% | 0.694 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | 3.5 | 174.5 | -83 | -89.6 | 0 | 0 | 0 | 114.6 | I587 T589 T593 | I587-H591 PolarHBondContact O-CD2 3.49Å; T589-H591 PolarHBondContact O-N 3.31Å; T589-H591 VanDerWaalsContact O-N 3.13Å; H591-T593 VanDerWaalsContact C-N 3.33Å; H591-T593 PolarHBondContact O-N 2.82Å |
| 592 | T | 44.2 | Very low | 63.8 | Low | 110 Ų | 110 | 120 Ų | 120 | 68% | 0.675 | 68% | 0.675 | S | S | * | * | | | trans | -77.4 | 78.3 | 173.7 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | T589 T594 | T589-T592 WeakPolarHBondContact O-CB 3.41Å; T589-T592 PolarHBondContact O-N 2.95Å; T589-T592 PolarHBondContact O-OG1 3.36Å; T592-T594 PolarHBondContact O-N 2.94Å |
| 593 | T | 49 | Very low | 63.1 | Low | 133 Ų | 133 | 122.9 Ų | 122.9 | 82% | 0.816 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -58 | 127.8 | 171.9 | 52.6 | 0 | 0 | 0 | 0 | 110.7 | H591 Q595 | H591-T593 VanDerWaalsContact C-N 3.33Å; H591-T593 PolarHBondContact O-N 2.82Å; T593-Q595 PolarHBondContact O-N 2.97Å |
| 594 | T | 48.8 | Very low | 62.2 | Low | 140 Ų | 140 | 123.9 Ų | 123.9 | 86% | 0.859 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 119.1 | 178.2 | 32.8 | 0 | 0 | 0 | 0 | 111.2 | T592 | T592-T594 PolarHBondContact O-N 2.94Š|
| 595 | Q | 49.2 | Very low | 61.5 | Low | 159 Ų | 159 | 125.8 Ų | 125.8 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 130.7 | 176.3 | -174 | -177.7 | -28.2 | 0 | 0 | 109.4 | T593 | T593-Q595 PolarHBondContact O-N 2.97Š|
| 596 | P | 68 | Low | 60.2 | Low | 101 Ų | 101 | 125.9 Ų | 125.9 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 146.8 | 173.1 | 27 | -34.3 | 0 | 0 | 0 | 110.5 | | |
| 597 | P | 75.4 | Confident | 59.3 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 147.3 | -176.6 | 25.6 | -34.5 | 0 | 0 | 0 | 111.7 | | |
| 598 | P | 73.4 | Confident | 58.3 | Low | 109 Ų | 109 | 128.3 Ų | 128.3 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 149.1 | 175.9 | 28.9 | -34.9 | 0 | 0 | 0 | 111.1 | | |
| 599 | P | 73 | Confident | 57.9 | Low | 117 Ų | 117 | 128.7 Ų | 128.7 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 150.6 | 173.1 | 29.3 | -35 | 0 | 0 | 0 | 111.1 | | |
| 600 | P | 74.1 | Confident | 57.1 | Low | 122 Ų | 122 | 130.1 Ų | 130.1 | 79% | 0.792 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 148.5 | -179 | 27.9 | -35.2 | 0 | 0 | 0 | 112.5 | T602 | P600-T602 PolarHBondContact O-N 2.96Š|
| 601 | E | 62.8 | Low | 56.4 | Low | 187 Ų | 187 | 129.5 Ų | 129.5 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 129.1 | -178.9 | -62.1 | -172.8 | 150.1 | 0 | 0 | 111.8 | T603 | E601-T603 PolarHBondContact O-N 3.39Š|
| 602 | T | 56.9 | Low | 56.2 | Low | 131 Ų | 131 | 128.6 Ų | 128.6 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | -83.3 | 98.2 | 178.2 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | P600 T604 | P600-T602 PolarHBondContact O-N 2.96Å; T602-T604 PolarHBondContact O-N 3.2Å |
| 603 | T | 59.4 | Low | 56.4 | Low | 126 Ų | 126 | 127.5 Ų | 127.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | -59.3 | 105.2 | 176.4 | -50.7 | 0 | 0 | 0 | 0 | 111.5 | E601 I605 | E601-T603 PolarHBondContact O-N 3.39Å; T603-I605 PolarHBondContact O-N 3.39Å |
| 604 | T | 54.8 | Low | 56.1 | Low | 127 Ų | 127 | 127.8 Ų | 127.8 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -85.6 | 110.4 | 174.9 | -59.9 | 0 | 0 | 0 | 0 | 109.9 | T602 | T602-T604 PolarHBondContact O-N 3.2Š|
| 605 | I | 57.1 | Low | 56 | Low | 145 Ų | 145 | 127 Ų | 127 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | | | trans | -77.5 | 122.7 | 177.2 | -59.9 | 175.3 | 0 | 0 | 0 | 109.3 | T603 | T603-I605 PolarHBondContact O-N 3.39Š|
| 606 | A | 44.4 | Very low | 55.8 | Low | 92 Ų | 92 | 125.4 Ų | 125.4 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | | | trans | -89 | 122.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 607 | T | 54.2 | Low | 54.7 | Low | 126 Ų | 126 | 126.7 Ų | 126.7 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | -107.5 | 116.1 | 173.8 | -58 | 0 | 0 | 0 | 0 | 110.2 | | |
| 608 | T | 46.1 | Very low | 53.3 | Low | 116 Ų | 116 | 127.7 Ų | 127.7 | 71% | 0.712 | 79% | 0.787 | S | S | * | * | | | trans | -84.8 | 131.8 | -176.2 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | T610 | T608-T610 HydrophobicContact CG2-CG2 3.93Š|
| 609 | I | 51.4 | Low | 51.9 | Low | 163 Ų | 163 | 128.4 Ų | 128.4 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | | | trans | -129.9 | 132.3 | 160.5 | -60.2 | -177.7 | 0 | 0 | 0 | 108.7 | | |
| 610 | T | 45.7 | Very low | 50.6 | Low | 112 Ų | 112 | 129.4 Ų | 129.4 | 69% | 0.687 | 79% | 0.794 | S | S | * | * | | | trans | -118.6 | 141.1 | -171 | 45.1 | 0 | 0 | 0 | 0 | 112.7 | T608 | T608-T610 HydrophobicContact CG2-CG2 3.93Š|
| 611 | T | 42.9 | Very low | 49.1 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | -170 | 162.1 | 150.2 | 11.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 612 | P | 49.6 | Very low | 48.4 | Very low | 131 Ų | 131 | 126.7 Ų | 126.7 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | | -125.8 | -169.6 | -125.4 | 39.9 | -22.6 | 0 | 0 | 0 | 115.9 | | |
| 613 | A | 47 | Very low | 47.8 | Very low | 87 Ų | 87 | 125.9 Ų | 125.9 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | trans | -107.8 | 161.1 | -163.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 614 | T | 43.2 | Very low | 46.9 | Very low | 138 Ų | 138 | 125.8 Ų | 125.8 | 85% | 0.847 | 79% | 0.785 | S | S | * | * | | | trans | -151.1 | 115 | 150.5 | 36.4 | 0 | 0 | 0 | 0 | 106.8 | | |
| 615 | T | 47.1 | Very low | 46.7 | Very low | 123 Ų | 123 | 126.7 Ų | 126.7 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | cis | 80.4 | 100.8 | 49.4 | -54 | 0 | 0 | 0 | 0 | 113.7 | | |
| 616 | S | 45.6 | Very low | 46 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | | | trans | -163.7 | 137.5 | 145.2 | -82.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 617 | T | 44.1 | Very low | 46 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | | | trans | -103.8 | 162 | -178.5 | 43.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 618 | T | 46.2 | Very low | 45.4 | Very low | 134 Ų | 134 | 128.8 Ų | 128.8 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -165.7 | 141.6 | 132.4 | -75.7 | 0 | 0 | 0 | 0 | 109.2 | | |
| 619 | T | 44 | Very low | 45.3 | Very low | 124 Ų | 124 | 129.3 Ų | 129.3 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | | | trans | -114.6 | 138.1 | -175.5 | -44.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 620 | T | 46.9 | Very low | 44.9 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 85% | 0.847 | 78% | 0.782 | S | S | * | * | | | trans | -144.2 | 138.3 | 162 | -13.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 621 | T | 40.9 | Very low | 45.5 | Very low | 121 Ų | 121 | 127.1 Ų | 127.1 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | | | trans | -101.8 | 140.4 | -174.9 | -50.8 | 0 | 0 | 0 | 0 | 111 | | |
| 622 | T | 48.1 | Very low | 45.9 | Very low | 132 Ų | 132 | 126.2 Ų | 126.2 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | trans | -162 | 123.3 | 145.4 | 18.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 623 | T | 44.6 | Very low | 45.5 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 69% | 0.693 | 78% | 0.778 | S | S | * | * | | | trans | 29.9 | 127.5 | 135.2 | -30.2 | 0 | 0 | 0 | 0 | 121.3 | | |
| 624 | P | 41.2 | Very low | 45.7 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | | | trans | -79.5 | 150.4 | 167.8 | 34.4 | -34.6 | 0 | 0 | 0 | 112.6 | | |
| 625 | I | 50.9 | Low | 45.7 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | trans | -118.8 | 124.1 | 172.5 | -63.1 | 176.9 | 0 | 0 | 0 | 109.1 | | |
| 626 | S | 41.4 | Very low | 45.7 | Very low | 113 Ų | 113 | 126.7 Ų | 126.7 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -78.3 | 134 | 168.8 | -179.9 | 0 | 0 | 0 | 0 | 110 | | |
| 627 | N | 45.3 | Very low | 45.4 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | | | trans | -143.2 | 124.1 | 166.7 | -90.2 | -43.9 | 0 | 0 | 0 | 110.9 | | |
| 628 | N | 41.9 | Very low | 45.4 | Very low | 152 Ų | 152 | 126.3 Ų | 126.3 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | | | trans | -88.1 | 129.6 | 177.5 | 175.2 | 24.2 | 0 | 0 | 0 | 109.7 | | |
| 629 | T | 43.6 | Very low | 45.1 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | | | trans | -144.5 | 134.4 | 172.9 | -21.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 630 | T | 43.3 | Very low | 44.9 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 141.7 | -173.5 | -41.6 | 0 | 0 | 0 | 0 | 113.1 | V632 | T630-V632 PolarHBondContact O-N 2.88Š|
| 631 | P | 58.7 | Low | 44.5 | Very low | 121 Ų | 121 | 122.5 Ų | 122.5 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -72 | 116.3 | 162.6 | 29.9 | -32.5 | 0 | 0 | 0 | 110.3 | | |
| 632 | V | 51.4 | Low | 44.5 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 121.3 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | T630 T634 | T630-V632 PolarHBondContact O-N 2.88Å; V632-T634 PolarHBondContact O-N 3.25Å |
| 633 | T | 40.7 | Very low | 44 | Very low | 129 Ų | 129 | 121 Ų | 121 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | | | trans | -69.1 | 113.8 | 169.9 | -51.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 634 | T | 51.8 | Low | 43.9 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | | | trans | -104.9 | 103.2 | 175.1 | -53.7 | 0 | 0 | 0 | 0 | 110.2 | V632 | V632-T634 PolarHBondContact O-N 3.25Š|
| 635 | T | 42.2 | Very low | 43.8 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | | | trans | -77.8 | 125.3 | 173.7 | -49 | 0 | 0 | 0 | 0 | 110 | | |
| 636 | V | 46.5 | Very low | 43.2 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | | | trans | -110.9 | 104 | 169.6 | -179.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 637 | T | 40.1 | Very low | 43.2 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 72% | 0.718 | 75% | 0.748 | S | S | * | * | | | trans | -108.7 | 123.5 | 173.1 | -60 | 0 | 0 | 0 | 0 | 109.2 | | |
| 638 | T | 43.1 | Very low | 43 | Very low | 128 Ų | 128 | 120.1 Ų | 120.1 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | | | trans | 179.2 | 116.1 | 157.7 | -83.6 | 0 | 0 | 0 | 0 | 106 | | |
| 639 | A | 41 | Very low | 42.9 | Very low | 81 Ų | 81 | 119.9 Ų | 119.9 | 67% | 0.669 | 74% | 0.744 | S | S | * | * | | | | 66.1 | 134.4 | 70.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 640 | T | 40.3 | Very low | 42.5 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | | | cis | -160.8 | 148.6 | -6.1 | -70.4 | 0 | 0 | 0 | 0 | 107.8 | | |
| 641 | T | 37.8 | Very low | 42.3 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 73% | 0.73 | 75% | 0.746 | S | S | * | * | | | trans | 37 | 140.1 | 163.9 | 59 | 0 | 0 | 0 | 0 | 120.4 | | |
| 642 | T | 41.8 | Very low | 41.4 | Very low | 126 Ų | 126 | 119.9 Ų | 119.9 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | | -171.2 | 151.2 | 67.6 | -55.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 643 | S | 37.5 | Very low | 40.7 | Very low | 95 Ų | 95 | 121 Ų | 121 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | | | trans | -11.6 | 131.8 | 166.8 | -167.6 | 0 | 0 | 0 | 0 | 119.9 | | |
| 644 | T | 41.6 | Very low | 40.6 | Very low | 148 Ų | 148 | 121.8 Ų | 121.8 | 91% | 0.908 | 74% | 0.739 | S | S | * | * | | | | -154.6 | 149.8 | 128 | -0.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 645 | T | 38.5 | Very low | 40.1 | Very low | 106 Ų | 106 | 119.9 Ų | 119.9 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | | | trans | -100.9 | 148 | -165.8 | -50.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 646 | P | 39.6 | Very low | 40 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 75% | 0.753 | 74% | 0.736 | S | S | * | * | | | trans | -76 | 149.3 | -160.3 | 29.3 | -37.5 | 0 | 0 | 0 | 115.3 | | |
| 647 | T | 40.8 | Very low | 39.8 | Very low | 133 Ų | 133 | 118.5 Ų | 118.5 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | | | trans | -92.3 | 101.5 | 178.6 | -44.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 648 | T | 40 | Very low | 39.8 | Very low | 118 Ų | 118 | 116.3 Ų | 116.3 | 72% | 0.724 | 72% | 0.72 | S | S | * | * | | | trans | -77.8 | 127.4 | 163.8 | -56.9 | 0 | 0 | 0 | 0 | 109.3 | T650 | T648-T650 PolarHBondContact O-N 3.07Š|
| 649 | I | 41.3 | Very low | 39.5 | Very low | 147 Ų | 147 | 120.6 Ų | 120.6 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | | | trans | -93.2 | 96.9 | 168.3 | -59.6 | 179.2 | 0 | 0 | 0 | 108.2 | I651 | I649-I651 HydrophobicContact CG2-CG1 4.33Š|
| 650 | T | 35.3 | Very low | 39.4 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 68% | 0.681 | 73% | 0.732 | S | S | * | * | | | trans | -95.2 | 124.8 | 164.9 | -52.4 | 0 | 0 | 0 | 0 | 107.8 | T648 | T648-T650 PolarHBondContact O-N 3.07Š|
| 651 | I | 38.5 | Very low | 39.1 | Very low | 157 Ų | 157 | 121.4 Ų | 121.4 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | | | trans | -96.8 | 109.7 | 166.8 | -60.4 | -179.4 | 0 | 0 | 0 | 107.2 | I649 | I649-I651 HydrophobicContact CG2-CG1 4.33Š|
| 652 | S | 39.1 | Very low | 39.1 | Very low | 88 Ų | 88 | 123.3 Ų | 123.3 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | | | trans | -78.4 | 150.5 | 169 | -57.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 653 | D | 37.6 | Very low | 38.9 | Very low | 145 Ų | 145 | 122.5 Ų | 122.5 | 78% | 0.775 | 73% | 0.732 | S | S | * | * | | | | -152.6 | 126.2 | 110 | -94.2 | -37.5 | 0 | 0 | 0 | 107.5 | | |
| 654 | N | 39.3 | Very low | 39 | Very low | 145 Ų | 145 | 122.8 Ų | 122.8 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | | | | 75.9 | 123.7 | 67.2 | -158.5 | 27 | 0 | 0 | 0 | 109.9 | | |
| 655 | A | 41.1 | Very low | 39 | Very low | 74 Ų | 74 | 122 Ų | 122 | 61% | 0.612 | 73% | 0.729 | S | S | * | * | | | cis | -149.1 | 165.3 | 23.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 656 | S | 40.4 | Very low | 38.8 | Very low | 100 Ų | 100 | 123.3 Ų | 123.3 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | | | | 53.9 | 140 | 126.4 | -136.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 657 | T | 41 | Very low | 38.9 | Very low | 118 Ų | 118 | 123 Ų | 123 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | | | cis | -178.9 | 160.4 | -0.7 | 16.8 | 0 | 0 | 0 | 0 | 107 | | |
| 658 | S | 40.8 | Very low | 38.9 | Very low | 71 Ų | 71 | 122.9 Ų | 122.9 | 50% | 0.497 | 73% | 0.734 | S | S | . | * | | | cis | 175.6 | 148.1 | -23.6 | 52.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 659 | Y | 36.7 | Very low | 38.6 | Very low | 218 Ų | 218 | 123.7 Ų | 123.7 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | | | trans | 67 | 160.5 | 173.1 | -41.6 | -71.3 | 0 | 0 | 0 | 115 | | |
| 660 | T | 38.1 | Very low | 38.7 | Very low | 136 Ų | 136 | 123.8 Ų | 123.8 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | | | cis | -143.9 | 169.8 | 9.6 | -40.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 661 | A | 35.4 | Very low | 38.8 | Very low | 79 Ų | 79 | 124.5 Ų | 124.5 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | | | trans | -66.4 | 178.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 662 | I | 37.9 | Very low | 39 | Very low | 158 Ų | 158 | 122.4 Ų | 122.4 | 81% | 0.81 | 74% | 0.74 | S | S | * | * | | | cis | -163.5 | 153.3 | 37.3 | -11.5 | 174 | 0 | 0 | 0 | 112.3 | | |
| 663 | S | 37.2 | Very low | 39.3 | Very low | 109 Ų | 109 | 123.5 Ų | 123.5 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | | | trans | 65.2 | 127.4 | 141.6 | -148.5 | 0 | 0 | 0 | 0 | 123 | | |
| 664 | S | 38.8 | Very low | 39.3 | Very low | 101 Ų | 101 | 123.3 Ų | 123.3 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | trans | 82.9 | 154.6 | 140.5 | -150.9 | 0 | 0 | 0 | 0 | 121.7 | | |
| 665 | T | 40.6 | Very low | 39.4 | Very low | 132 Ų | 132 | 122.1 Ų | 122.1 | 81% | 0.81 | 75% | 0.753 | S | S | * | * | | | trans | 74.1 | 133.6 | 169.6 | 48.6 | 0 | 0 | 0 | 0 | 121.6 | | |
| 666 | T | 36.2 | Very low | 39.2 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | | | trans | -68.9 | 179.2 | -178.4 | -9.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 667 | P | 41.4 | Very low | 39.2 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 71% | 0.714 | 76% | 0.761 | S | S | * | * | | | | -125.1 | 168.2 | -102 | 42.3 | -27.4 | 0 | 0 | 0 | 114.8 | | |
| 668 | T | 39.9 | Very low | 38.9 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | -149.3 | 141.3 | 160.5 | -47 | 0 | 0 | 0 | 0 | 111.1 | I670 | T668-I670 HydrophobicContact CG2-CG1 4.23Š|
| 669 | V | 34.8 | Very low | 38.7 | Very low | 136 Ų | 136 | 131.8 Ų | 131.8 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | | | trans | -99.9 | 124.6 | 174 | 173.8 | 0 | 0 | 0 | 0 | 109 | | |
| 670 | I | 41.8 | Very low | 38.6 | Very low | 148 Ų | 148 | 127 Ų | 127 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | | | trans | -140.8 | 116.8 | 169 | -58.1 | -178.1 | 0 | 0 | 0 | 109.2 | T668 | T668-I670 HydrophobicContact CG2-CG1 4.23Š|
| 671 | T | 38 | Very low | 38.4 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | | | trans | -76.4 | 143.1 | 164.5 | -4.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 672 | P | 44 | Very low | 38.6 | Very low | 113 Ų | 113 | 129.1 Ų | 129.1 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | | -157.8 | -163.3 | 96.9 | 43.2 | -24.3 | 0 | 0 | 0 | 112.8 | | |
| 673 | P | 45.4 | Very low | 38.4 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | cis | -115.2 | 154.7 | -26.2 | 33 | -19.6 | 0 | 0 | 0 | 112.5 | | |
| 674 | T | 36.3 | Very low | 38.6 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | | | trans | -79.4 | 150.9 | 160.6 | 31.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 675 | S | 42.1 | Very low | 38.6 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | | | trans | -142.6 | 104.7 | 162.7 | -73.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 676 | S | 35.9 | Very low | 38.2 | Very low | 107 Ų | 107 | 128.6 Ų | 128.6 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -87.6 | 129.8 | -171.7 | 50.4 | 0 | 0 | 0 | 0 | 112 | | |
| 677 | I | 40.5 | Very low | 38.3 | Very low | 144 Ų | 144 | 127.4 Ų | 127.4 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | | | trans | -116.8 | 114.3 | 157.5 | -61.9 | -179.3 | 0 | 0 | 0 | 107.1 | Y679 | I677-Y679 HydrophobicContact CG2-CE2 4.05Š|
| 678 | T | 34.7 | Very low | 37.8 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | trans | -79.9 | 124.4 | -173.8 | -55.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 679 | Y | 37.6 | Very low | 37.7 | Very low | 206 Ų | 206 | 129.3 Ų | 129.3 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | | | trans | -114 | 99.6 | 160.4 | -75.3 | -78.2 | 0 | 0 | 0 | 109.1 | I677 T681 | I677-Y679 HydrophobicContact CG2-CE2 4.05Å; Y679-T681 PolarHBondContact O-N 2.75Å |
| 680 | T | 34.7 | Very low | 37.6 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | | | trans | -76 | 109.8 | 177.6 | -13.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 681 | T | 34.2 | Very low | 37.1 | Very low | 123 Ų | 123 | 121.4 Ų | 121.4 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | | | trans | -137.9 | 92.3 | 167.3 | -54.4 | 0 | 0 | 0 | 0 | 108.1 | Y679 T683 | Y679-T681 PolarHBondContact O-N 2.75Å; T681-T683 PolarHBondContact O-N 3.29Å |
| 682 | T | 38.2 | Very low | 36.8 | Very low | 135 Ų | 135 | 119 Ų | 119 | 83% | 0.828 | 73% | 0.726 | S | S | * | * | | | trans | -71.4 | 110.4 | -175.5 | 26.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 683 | T | 33.7 | Very low | 36.3 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | | | trans | -112 | 118.1 | 162.8 | -53 | 0 | 0 | 0 | 0 | 107.5 | T681 S685 | T681-T683 PolarHBondContact O-N 3.29Å; T683-S685 PolarHBondContact O-N 3.46Å |
| 684 | P | 42.8 | Very low | 35.6 | Very low | 125 Ų | 125 | 121.4 Ų | 121.4 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | | | trans | -69.3 | 131.4 | 179.2 | 28 | -33 | 0 | 0 | 0 | 110 | | |
| 685 | S | 37.4 | Very low | 35.3 | Very low | 108 Ų | 108 | 119 Ų | 119 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | | | trans | -140.3 | 119.9 | 171.8 | -69.8 | 0 | 0 | 0 | 0 | 108.5 | T683 | T683-S685 PolarHBondContact O-N 3.46Š|
| 686 | T | 33.2 | Very low | 35 | Very low | 144 Ų | 144 | 119.2 Ų | 119.2 | 88% | 0.883 | 72% | 0.717 | S | S | * | * | | | trans | -74.9 | 143.3 | 175.6 | 41.3 | 0 | 0 | 0 | 0 | 110.6 | | |
| 687 | S | 37.2 | Very low | 34.8 | Very low | 109 Ų | 109 | 121 Ų | 121 | 76% | 0.762 | 72% | 0.717 | S | S | * | * | | | trans | -159 | 122.4 | 169.3 | -77.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 688 | T | 32.2 | Very low | 34.4 | Very low | 127 Ų | 127 | 118.4 Ų | 118.4 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | | | trans | -88 | 130.4 | 172.6 | -46.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 689 | I | 36.6 | Very low | 34.1 | Very low | 153 Ų | 153 | 118.7 Ų | 118.7 | 79% | 0.785 | 72% | 0.72 | S | S | * | * | | | trans | -141.7 | 141.3 | 175 | -72.7 | -169.1 | 0 | 0 | 0 | 107.1 | E59 | E59-I689 VanDerWaalsContact OE2-C 3.27Š|
| 690 | T | 32.7 | Very low | 33.7 | Very low | 55 Ų | 55 | 114.7 Ų | 114.7 | 34% | 0.337 | 72% | 0.717 | S | S | . | * | | | cis | 153.8 | 45.4 | 25.8 | -8.2 | 0 | 0 | 0 | 0 | 117.7 | T57 E59 | T57-T690 HydrophobicContact CG2-CG2 3.83Å; E59-T690 HydrophobicContact CB-CG2 3.78Å; E59-T690 VanDerWaalsContact CB-OG1 3.26Å; E59-T690 WeakPolarHBondContact CB-OG1 3.43Å; E59-T690 HydrophobicContact CG-CG2 3.84Å; E59-T690 WeakPolarHBondContact OE1-CA 3.25Å; E59-T690 PolarHBondContact OE1-N 3.26Å; E59-T690 PolarHBondContact OE2-N 2.72Å; E59-T690 PolarHBondContact OE2-OG1 3.13Å |
| 691 | T | 31.7 | Very low | 33.5 | Very low | 62 Ų | 62 | 115.8 Ų | 115.8 | 38% | 0.38 | 72% | 0.717 | S | S | . | * | | | trans | 74.8 | 114.6 | 168.7 | 19 | 0 | 0 | 0 | 0 | 122.5 | T57 T58 E59 | T57-T691 WeakPolarHBondContact CG2-OG1 3.34Å; T58-T691 WeakPolarHBondContact O-CG2 3.34Å; E59-T691 PolarHBondContact OE1-N 3.24Å |
| 692 | A | 32.2 | Very low | 33.5 | Very low | 75 Ų | 75 | 116.3 Ų | 116.3 | 62% | 0.62 | 71% | 0.713 | S | S | * | * | | | | 55.3 | 149.9 | 110 | 0 | 0 | 0 | 0 | 0 | 126.2 | | |
| 693 | N | 31.9 | Very low | 33.2 | Very low | 150 Ų | 150 | 115.4 Ų | 115.4 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | | | trans | 75.7 | 148.2 | 149.7 | -66.2 | -22.1 | 0 | 0 | 0 | 118.7 | | |
| 694 | T | 31.9 | Very low | 33.1 | Very low | 126 Ų | 126 | 115.3 Ų | 115.3 | 77% | 0.773 | 71% | 0.71 | S | S | * | * | | | cis | -153.7 | 150.9 | 21.5 | -25.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 695 | S | 29.4 | Very low | 32.5 | Very low | 90 Ų | 90 | 115 Ų | 115 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | | | trans | 56.9 | 117.6 | 141.7 | 170 | 0 | 0 | 0 | 0 | 121.5 | | |
| 696 | T | 35.5 | Very low | 32.1 | Very low | 125 Ų | 125 | 114.3 Ų | 114.3 | 77% | 0.767 | 71% | 0.706 | S | S | * | * | | | | -160.2 | 132.6 | 100.9 | 4.8 | 0 | 0 | 0 | 0 | 115 | | |
| 697 | N | 32.5 | Very low | 31.9 | Very low | 143 Ų | 143 | 111.1 Ų | 111.1 | 77% | 0.765 | 70% | 0.695 | S | S | * | * | | | trans | 34.1 | 133.9 | 142.9 | -63.6 | -6 | 0 | 0 | 0 | 123.9 | | |
| 698 | A | 31.5 | Very low | 31.6 | Very low | 91 Ų | 91 | 111.8 Ų | 111.8 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | | | | 77.7 | 157.4 | 129.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 699 | T | 29.1 | Very low | 31.4 | Very low | 115 Ų | 115 | 110.5 Ų | 110.5 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | | | cis | -166.5 | 112.9 | -25.4 | -88.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 700 | T | 28 | Very low | 31.2 | Very low | 122 Ų | 122 | 108.9 Ų | 108.9 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | | | trans | 61.6 | 174.1 | 143.2 | -46.5 | 0 | 0 | 0 | 0 | 119.7 | | |
| 701 | I | 31.5 | Very low | 30.9 | Very low | 141 Ų | 141 | 111.5 Ų | 111.5 | 72% | 0.723 | 70% | 0.704 | S | S | * | * | | | trans | 59.6 | 110.7 | 168.9 | 25.3 | -177.8 | 0 | 0 | 0 | 116.3 | | |
| 702 | I | 33.3 | Very low | 31.1 | Very low | 134 Ų | 134 | 114.9 Ų | 114.9 | 69% | 0.687 | 73% | 0.725 | S | S | * | * | | | cis | 55.9 | 107.9 | 49.2 | -44.1 | 167.7 | 0 | 0 | 0 | 110.1 | | |
| 703 | P | 33.7 | Very low | 31.4 | Very low | 117 Ų | 117 | 116.6 Ų | 116.6 | 76% | 0.76 | 73% | 0.729 | S | S | * | * | | | | -103.7 | 156.2 | 88.2 | -19.2 | 37.1 | 0 | 0 | 0 | 113.8 | | |
| 704 | T | 30.5 | Very low | 31.5 | Very low | 110 Ų | 110 | 116.7 Ų | 116.7 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | | | cis | 61.4 | 134.5 | 47.1 | -11 | 0 | 0 | 0 | 0 | 111.3 | | |
| 705 | T | 30.3 | Very low | 31.5 | Very low | 119 Ų | 119 | 114.7 Ų | 114.7 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | | | cis | -164.2 | 163.3 | 32.4 | -40.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 706 | A | 29.9 | Very low | 31.8 | Very low | 93 Ų | 93 | 116.4 Ų | 116.4 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | | | trans | 70 | 151.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 707 | A | 28 | Very low | 31.9 | Very low | 77 Ų | 77 | 115.7 Ų | 115.7 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | | | cis | -169.8 | -178.6 | -21.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 708 | T | 31 | Very low | 32.1 | Very low | 122 Ų | 122 | 116.3 Ų | 116.3 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | | | trans | 66.2 | 116.1 | 160.5 | 32.3 | 0 | 0 | 0 | 0 | 115 | | |
| 709 | S | 28.3 | Very low | 32.4 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | | | | 77.5 | 143.1 | 86.3 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 710 | T | 31.5 | Very low | 32.9 | Very low | 119 Ų | 119 | 117.6 Ų | 117.6 | 73% | 0.73 | 73% | 0.725 | S | S | * | * | | | cis | -157.6 | 149.5 | 9.9 | -3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 711 | T | 28.2 | Very low | 33.3 | Very low | 110 Ų | 110 | 118.6 Ų | 118.6 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | | | trans | 5.9 | 130.4 | 138.6 | 59.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 712 | T | 34.2 | Very low | 33.5 | Very low | 133 Ų | 133 | 115.5 Ų | 115.5 | 82% | 0.816 | 72% | 0.722 | S | S | * | * | | | | 38.4 | 169.1 | 121.9 | 17.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 713 | P | 38.8 | Very low | 33.7 | Very low | 110 Ų | 110 | 114 Ų | 114 | 71% | 0.714 | 72% | 0.723 | S | S | * | * | | | cis | -134.7 | -141.2 | -2.5 | 41 | -19.4 | 0 | 0 | 0 | 113.4 | | |
| 714 | I | 34.4 | Very low | 33.7 | Very low | 153 Ų | 153 | 114.4 Ų | 114.4 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | | | trans | 105.9 | 88.9 | 169.3 | -58.2 | 163.9 | 0 | 0 | 0 | 111.5 | | |
| 715 | A | 31.4 | Very low | 33.7 | Very low | 83 Ų | 83 | 113.6 Ų | 113.6 | 69% | 0.686 | 72% | 0.722 | S | S | * | * | | | | 81.4 | 141.5 | 73 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 716 | T | 36.4 | Very low | 33.6 | Very low | 127 Ų | 127 | 113.3 Ų | 113.3 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | | | cis | -154.8 | 167.5 | 13.8 | -10.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 717 | T | 36.5 | Very low | 33.5 | Very low | 109 Ų | 109 | 115.2 Ų | 115.2 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | | | cis | -167 | 145.6 | 32 | 2.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 718 | I | 37.5 | Very low | 33.5 | Very low | 157 Ų | 157 | 115.2 Ų | 115.2 | 81% | 0.805 | 72% | 0.723 | S | S | * | * | | | trans | 65.6 | 137 | 143.9 | -64.8 | 164.3 | 0 | 0 | 0 | 119.2 | | |
| 719 | S | 38.4 | Very low | 33.3 | Very low | 87 Ų | 87 | 115.5 Ų | 115.5 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | | | cis | -168.4 | 165.1 | -27.5 | -151.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 720 | D | 39.7 | Very low | 33.2 | Very low | 146 Ų | 146 | 116.1 Ų | 116.1 | 78% | 0.781 | 73% | 0.729 | S | S | * | * | | | trans | 79 | 137.8 | 152.2 | -60.3 | -8.8 | 0 | 0 | 0 | 120.9 | | |
| 721 | N | 35.3 | Very low | 33.1 | Very low | 142 Ų | 142 | 114.8 Ų | 114.8 | 76% | 0.759 | 73% | 0.73 | S | S | * | * | | | cis | -165.9 | 137.8 | -20.8 | -170.5 | 21.9 | 0 | 0 | 0 | 112.2 | | |
| 722 | A | 36.8 | Very low | 33 | Very low | 77 Ų | 77 | 115.5 Ų | 115.5 | 64% | 0.636 | 74% | 0.735 | S | S | * | * | | | trans | 51.7 | 149.8 | 150.6 | 0 | 0 | 0 | 0 | 0 | 122.7 | | |
| 723 | S | 37.3 | Very low | 32.8 | Very low | 102 Ų | 102 | 114.9 Ų | 114.9 | 71% | 0.713 | 73% | 0.73 | S | S | * | * | | | cis | -168.3 | 138.5 | -18.8 | -99.3 | 0 | 0 | 0 | 0 | 111.7 | | |
| 724 | T | 33.3 | Very low | 32.3 | Very low | 126 Ų | 126 | 115.5 Ų | 115.5 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | | | trans | 14 | 143.5 | 139.2 | 66.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 725 | S | 29.8 | Very low | 32.1 | Very low | 92 Ų | 92 | 114.4 Ų | 114.4 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | | | | 161.7 | 151.8 | 76.6 | -170.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 726 | T | 29.3 | Very low | 32 | Very low | 113 Ų | 113 | 115.1 Ų | 115.1 | 69% | 0.693 | 73% | 0.729 | S | S | * | * | | | trans | 57 | 116.3 | 144 | 47 | 0 | 0 | 0 | 0 | 124.2 | | |
| 727 | T | 27.2 | Very low | 31.6 | Very low | 133 Ų | 133 | 115 Ų | 115 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | | | | 78.1 | 149.9 | 113 | -50.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 728 | A | 27.9 | Very low | 31.3 | Very low | 78 Ų | 78 | 114.9 Ų | 114.9 | 65% | 0.645 | 73% | 0.727 | S | S | * | * | | | trans | 86.1 | 112.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 729 | T | 26.9 | Very low | 31.1 | Very low | 127 Ų | 127 | 113.2 Ų | 113.2 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | | | | 65.5 | 106.2 | 117.2 | -48.1 | 0 | 0 | 0 | 0 | 121.6 | | |
| 730 | S | 25.8 | Very low | 30.7 | Very low | 114 Ų | 114 | 114.4 Ų | 114.4 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | | | trans | 32.5 | 92.6 | 130.5 | -48.8 | 0 | 0 | 0 | 0 | 121.3 | | |
| 731 | A | 29.3 | Very low | 30.3 | Very low | 92 Ų | 92 | 111.9 Ų | 111.9 | 76% | 0.76 | 72% | 0.724 | S | S | * | * | | | trans | -153.4 | 129.4 | 137.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 732 | T | 27.6 | Very low | 30 | Very low | 125 Ų | 125 | 110.1 Ų | 110.1 | 77% | 0.767 | 72% | 0.723 | S | S | * | * | | | cis | 71.3 | 136.5 | 35.6 | -42.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 733 | T | 29.5 | Very low | 29.7 | Very low | 119 Ų | 119 | 113.6 Ų | 113.6 | 73% | 0.73 | 73% | 0.729 | S | S | * | * | | | trans | 82.4 | 96.9 | -167.2 | -33.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 734 | T | 28.5 | Very low | 29.4 | Very low | 124 Ų | 124 | 113.5 Ų | 113.5 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | | | | 72.3 | 153.4 | 50.4 | -45 | 0 | 0 | 0 | 0 | 112.3 | | |
| 735 | V | 29.6 | Very low | 29.4 | Very low | 130 Ų | 130 | 113.1 Ų | 113.1 | 79% | 0.788 | 72% | 0.722 | S | S | * | * | | | trans | 104.7 | 128.4 | 176.7 | -179.5 | 0 | 0 | 0 | 0 | 113.9 | | |
| 736 | T | 29.4 | Very low | 29.5 | Very low | 98 Ų | 98 | 113.9 Ų | 113.9 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | | | cis | 170.5 | 135.9 | -36.4 | -94.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 737 | T | 29.2 | Very low | 29.5 | Very low | 124 Ų | 124 | 114 Ų | 114 | 76% | 0.761 | 72% | 0.724 | S | S | * | * | | | trans | 61.6 | 166 | 171.1 | 55.1 | 0 | 0 | 0 | 0 | 115.7 | | |
| 738 | T | 28.4 | Very low | 29.8 | Very low | 106 Ų | 106 | 113.6 Ų | 113.6 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | | | cis | -142.9 | 137.1 | 13 | -43 | 0 | 0 | 0 | 0 | 111.6 | | |
| 739 | P | 33.9 | Very low | 30 | Very low | 122 Ų | 122 | 113.8 Ų | 113.8 | 79% | 0.792 | 72% | 0.723 | S | S | * | * | | | trans | -75.5 | 131.4 | 169.4 | 31.7 | -33.3 | 0 | 0 | 0 | 111 | | |
| 740 | T | 30.8 | Very low | 30.5 | Very low | 113 Ų | 113 | 113.6 Ų | 113.6 | 69% | 0.693 | 72% | 0.724 | S | S | * | * | | | trans | -142.1 | 118.2 | -178.8 | -49.9 | 0 | 0 | 0 | 0 | 112.2 | | |
| 741 | S | 30.4 | Very low | 30.6 | Very low | 93 Ų | 93 | 113.4 Ų | 113.4 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | | | trans | 59.4 | 132.3 | 165.3 | -53.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 742 | S | 28.8 | Very low | 30.7 | Very low | 104 Ų | 104 | 115.3 Ų | 115.3 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | | | cis | 71 | 161.8 | 30.1 | 98.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 743 | I | 30.7 | Very low | 30.6 | Very low | 150 Ų | 150 | 113.8 Ų | 113.8 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | | | trans | 90.3 | 131.9 | -177.9 | -61.2 | 170.3 | 0 | 0 | 0 | 115.4 | | |
| 744 | T | 31.2 | Very low | 30.5 | Very low | 101 Ų | 101 | 113.4 Ų | 113.4 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | | | cis | -167 | 170.9 | -22.9 | -72.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 745 | T | 32.4 | Very low | 30.4 | Very low | 117 Ų | 117 | 114.2 Ų | 114.2 | 72% | 0.718 | 72% | 0.717 | S | S | * | * | | | trans | 71.5 | 138.8 | 152 | 27.2 | 0 | 0 | 0 | 0 | 118 | | |
| 746 | T | 32.2 | Very low | 30.4 | Very low | 108 Ų | 108 | 114.2 Ų | 114.2 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | | | cis | -157.3 | 138.2 | -6.4 | -4 | 0 | 0 | 0 | 0 | 106.5 | | |
| 747 | T | 29.2 | Very low | 30.4 | Very low | 116 Ų | 116 | 115.3 Ų | 115.3 | 71% | 0.712 | 72% | 0.719 | S | S | * | * | | | | 46.1 | 130.5 | 82.6 | -8.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 748 | T | 33.4 | Very low | 30.4 | Very low | 125 Ų | 125 | 113.6 Ų | 113.6 | 77% | 0.767 | 72% | 0.718 | S | S | * | * | | | cis | -161.4 | 158.6 | 42.4 | -42 | 0 | 0 | 0 | 0 | 111.1 | | |
| 749 | A | 33.3 | Very low | 30.4 | Very low | 82 Ų | 82 | 115.2 Ų | 115.2 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | | | trans | -69.3 | 171.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 750 | P | 36.6 | Very low | 30.2 | Very low | 123 Ų | 123 | 114.9 Ų | 114.9 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | | | | -145.5 | 167.4 | 82.9 | 39.8 | -24.3 | 0 | 0 | 0 | 115.7 | | |
| 751 | S | 29.3 | Very low | 30 | Very low | 110 Ų | 110 | 113.8 Ų | 113.8 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | | | trans | -77.6 | 130.8 | 163.6 | 53 | 0 | 0 | 0 | 0 | 112.8 | | |
| 752 | T | 30.5 | Very low | 29.9 | Very low | 131 Ų | 131 | 114.3 Ų | 114.3 | 80% | 0.804 | 71% | 0.714 | S | S | * | * | | | trans | -163.4 | 132.9 | 137.7 | 30.6 | 0 | 0 | 0 | 0 | 107.9 | | |
| 753 | S | 26.2 | Very low | 29.8 | Very low | 94 Ų | 94 | 116.6 Ų | 116.6 | 66% | 0.657 | 72% | 0.719 | S | S | * | * | | | | 71.4 | 105.7 | 64.4 | 152.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 754 | T | 27 | Very low | 29.8 | Very low | 111 Ų | 111 | 113.7 Ų | 113.7 | 68% | 0.681 | 72% | 0.717 | S | S | * | * | | | trans | 91.6 | 115.6 | 131 | -52.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 755 | N | 26.4 | Very low | 29.7 | Very low | 141 Ų | 141 | 114.9 Ų | 114.9 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | | | trans | 78.5 | 142 | 146.3 | -78.8 | -1.6 | 0 | 0 | 0 | 123.5 | | |
| 756 | N | 29.1 | Very low | 29.7 | Very low | 130 Ų | 130 | 113.4 Ų | 113.4 | 70% | 0.695 | 72% | 0.724 | S | S | * | * | | | trans | 83.9 | 96.1 | 139.3 | -73.8 | 6.6 | 0 | 0 | 0 | 121 | | |
| 757 | T | 28.6 | Very low | 29.8 | Very low | 121 Ų | 121 | 115.4 Ų | 115.4 | 74% | 0.742 | 73% | 0.729 | S | S | * | * | | | | 81.2 | 148.8 | 107.5 | -58.4 | 0 | 0 | 0 | 0 | 118 | | |
| 758 | A | 29.3 | Very low | 30.1 | Very low | 88 Ų | 88 | 115.6 Ų | 115.6 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | | | trans | 73.3 | 136.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 759 | N | 29.8 | Very low | 30.1 | Very low | 139 Ų | 139 | 114.3 Ų | 114.3 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | | | cis | -161.1 | 176.2 | -13.8 | -150.8 | 4.5 | 0 | 0 | 0 | 110.3 | | |
| 760 | T | 28.4 | Very low | 30.1 | Very low | 115 Ų | 115 | 116.1 Ų | 116.1 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | | | trans | 26 | 141 | 145.9 | 50.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 761 | S | 26.5 | Very low | 30.2 | Very low | 90 Ų | 90 | 115.7 Ų | 115.7 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | | | cis | 165.3 | 180 | 9 | 166.4 | 0 | 0 | 0 | 0 | 107.7 | | |
| 762 | T | 29.5 | Very low | 30.5 | Very low | 105 Ų | 105 | 114.6 Ų | 114.6 | 64% | 0.644 | 72% | 0.722 | S | S | * | * | | | trans | 70.5 | 100.1 | 145 | 25.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 763 | N | 27.1 | Very low | 31 | Very low | 152 Ų | 152 | 114.2 Ų | 114.2 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | | | | 70.3 | 157.1 | 114.7 | -67.7 | 9 | 0 | 0 | 0 | 122.1 | | |
| 764 | A | 29.6 | Very low | 31.6 | Very low | 89 Ų | 89 | 115.7 Ų | 115.7 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | | | trans | 87.6 | 141.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 765 | T | 30.1 | Very low | 32.1 | Very low | 125 Ų | 125 | 116.3 Ų | 116.3 | 77% | 0.767 | 73% | 0.729 | S | S | * | * | | | cis | -166.5 | 134.1 | -15 | -99.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 766 | A | 31.8 | Very low | 32.8 | Very low | 87 Ų | 87 | 116.3 Ų | 116.3 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | | | trans | 57.7 | -175.8 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 767 | I | 34.6 | Very low | 33.6 | Very low | 149 Ų | 149 | 115 Ų | 115 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | | | cis | -139.6 | 115.7 | 23.1 | -75.2 | 179.9 | 0 | 0 | 0 | 108.7 | | |
| 768 | T | 36 | Very low | 34.2 | Very low | 121 Ų | 121 | 115.1 Ų | 115.1 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | | | | 79.8 | 138.2 | 97.4 | -44.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 769 | S | 31.8 | Very low | 34.7 | Very low | 98 Ų | 98 | 117.1 Ų | 117.1 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | | | cis | -135.9 | -99 | 33.2 | -162.9 | 0 | 0 | 0 | 0 | 117.9 | | |
| 770 | T | 34.3 | Very low | 34.9 | Very low | 119 Ų | 119 | 114.3 Ų | 114.3 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | | | trans | -156.1 | -177.1 | -149.2 | 49.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 771 | T | 38.7 | Very low | 35.4 | Very low | 115 Ų | 115 | 114.7 Ų | 114.7 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | | | cis | -154.5 | 121.5 | 27.5 | -54.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 772 | A | 34.9 | Very low | 35.8 | Very low | 87 Ų | 87 | 115.6 Ų | 115.6 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | | | | 51.4 | 146.3 | 95.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 773 | T | 41.1 | Very low | 36.1 | Very low | 123 Ų | 123 | 115.8 Ų | 115.8 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | | | cis | -153.9 | 165.4 | 22.5 | -28.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 774 | T | 39.7 | Very low | 36.3 | Very low | 125 Ų | 125 | 115.6 Ų | 115.6 | 77% | 0.767 | 74% | 0.735 | S | S | * | * | | | cis | -161.7 | 176.3 | 34.4 | -43.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 775 | T | 37.9 | Very low | 36.4 | Very low | 124 Ų | 124 | 115.5 Ų | 115.5 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | | | trans | -142.6 | 168 | 177 | 55.2 | 0 | 0 | 0 | 0 | 112.2 | | |
| 776 | T | 40.8 | Very low | 36.3 | Very low | 140 Ų | 140 | 116.4 Ų | 116.4 | 86% | 0.859 | 73% | 0.73 | S | S | * | * | | | trans | -155.2 | 143.1 | 158.5 | -75 | 0 | 0 | 0 | 0 | 109.8 | | |
| 777 | P | 44.2 | Very low | 36.2 | Very low | 104 Ų | 104 | 119.5 Ų | 119.5 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | | | trans | -140.7 | -143.9 | -145.7 | 44.5 | -24 | 0 | 0 | 0 | 115.7 | | |
| 778 | T | 41.6 | Very low | 36 | Very low | 123 Ų | 123 | 115.7 Ų | 115.7 | 76% | 0.755 | 73% | 0.725 | S | S | * | * | | | trans | 83.9 | 139.1 | 163.7 | 10.9 | 0 | 0 | 0 | 0 | 117.2 | | |
| 779 | T | 39.9 | Very low | 35.7 | Very low | 130 Ų | 130 | 115 Ų | 115 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | | | cis | -145.8 | 164.5 | 11.8 | -43 | 0 | 0 | 0 | 0 | 113.1 | | |
| 780 | A | 35 | Very low | 35.7 | Very low | 79 Ų | 79 | 116.7 Ų | 116.7 | 65% | 0.653 | 73% | 0.731 | S | S | * | * | | | trans | -76.2 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 781 | T | 38.9 | Very low | 35.4 | Very low | 123 Ų | 123 | 115.7 Ų | 115.7 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | | | | -164.5 | 126.9 | 66.4 | -52.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 782 | T | 34.2 | Very low | 35 | Very low | 109 Ų | 109 | 115.9 Ų | 115.9 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | | | | 9.8 | 151.8 | 128.9 | 1.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 783 | T | 35.8 | Very low | 34.8 | Very low | 109 Ų | 109 | 117.9 Ų | 117.9 | 67% | 0.669 | 73% | 0.734 | S | S | * | * | | | cis | -168.6 | 145.4 | 47.4 | 10.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 784 | I | 32.1 | Very low | 34.3 | Very low | 148 Ų | 148 | 116.1 Ų | 116.1 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | | | | 44.8 | 139.9 | 125 | -61.9 | 174.6 | 0 | 0 | 0 | 120 | | |
| 785 | S | 30.2 | Very low | 34.1 | Very low | 88 Ų | 88 | 115.4 Ų | 115.4 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | | | cis | -173.9 | 178.4 | -15.2 | -86.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 786 | D | 30 | Very low | 34.3 | Very low | 144 Ų | 144 | 114.6 Ų | 114.6 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | | | trans | 71.4 | 101.1 | 146.3 | -62.2 | -36.3 | 0 | 0 | 0 | 122.9 | | |
| 787 | N | 28.9 | Very low | 34.1 | Very low | 152 Ų | 152 | 114.1 Ų | 114.1 | 81% | 0.813 | 73% | 0.726 | S | S | * | * | | | | 70 | 142.3 | 105.8 | -155.5 | 18.4 | 0 | 0 | 0 | 122.5 | | |
| 788 | A | 30.4 | Very low | 33.7 | Very low | 69 Ų | 69 | 116.6 Ų | 116.6 | 57% | 0.57 | 73% | 0.733 | S | S | * | * | | | trans | 63 | 105.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 789 | S | 30.3 | Very low | 33.4 | Very low | 106 Ų | 106 | 115 Ų | 115 | 74% | 0.741 | 73% | 0.733 | S | S | * | * | | | | 83.2 | 136.9 | 121.5 | -61.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 790 | T | 30.2 | Very low | 33.2 | Very low | 133 Ų | 133 | 114.7 Ų | 114.7 | 82% | 0.816 | 73% | 0.731 | S | S | * | * | | | trans | 71.9 | 113 | 143 | 44.7 | 0 | 0 | 0 | 0 | 122.2 | | |
| 791 | S | 29 | Very low | 33.3 | Very low | 98 Ų | 98 | 116.6 Ų | 116.6 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | | | | 87.4 | 112.6 | 124.2 | -148.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 792 | T | 30.2 | Very low | 33.2 | Very low | 120 Ų | 120 | 115.8 Ų | 115.8 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | | | trans | 51.4 | 121.7 | 133.8 | 61.6 | 0 | 0 | 0 | 0 | 118.8 | | |
| 793 | T | 29.5 | Very low | 33.3 | Very low | 128 Ų | 128 | 117 Ų | 117 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | | | | 173.9 | 143.9 | 80.2 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 794 | A | 31.7 | Very low | 33.4 | Very low | 87 Ų | 87 | 117.9 Ų | 117.9 | 72% | 0.719 | 74% | 0.737 | S | S | * | * | | | trans | 47.2 | 125.9 | 158.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 795 | S | 34.5 | Very low | 33.7 | Very low | 109 Ų | 109 | 116.2 Ų | 116.2 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | | | | 22 | 147 | 104.3 | -120.9 | 0 | 0 | 0 | 0 | 118.4 | | |
| 796 | P | 43 | Very low | 34.1 | Very low | 108 Ų | 108 | 117.8 Ų | 117.8 | 70% | 0.701 | 74% | 0.74 | S | S | * | * | | | cis | -155 | -177.5 | 38.5 | 36.1 | -11.6 | 0 | 0 | 0 | 119.7 | | |
| 797 | T | 37 | Very low | 34.3 | Very low | 129 Ų | 129 | 116.3 Ų | 116.3 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | | | trans | 103.9 | 134.6 | 142.5 | -22.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 798 | N | 35.6 | Very low | 34.7 | Very low | 157 Ų | 157 | 115.1 Ų | 115.1 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | | | trans | -83.3 | 154.1 | 171.2 | -57.2 | -37.2 | 0 | 0 | 0 | 112.9 | | |
| 799 | A | 36.2 | Very low | 34.9 | Very low | 90 Ų | 90 | 117.8 Ų | 117.8 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | | | trans | -148 | 132.8 | 130.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 800 | T | 34.6 | Very low | 35.4 | Very low | 123 Ų | 123 | 117.5 Ų | 117.5 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | | | | 57.7 | 133.9 | 67.4 | 0.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 801 | T | 36.7 | Very low | 35.5 | Very low | 118 Ų | 118 | 116.9 Ų | 116.9 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | | | cis | -163.6 | 171.3 | 19 | -33.2 | 0 | 0 | 0 | 0 | 113 | | |
| 802 | T | 38.3 | Very low | 35.9 | Very low | 106 Ų | 106 | 117.2 Ų | 117.2 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | | | trans | 99.7 | 97.6 | 143 | -52 | 0 | 0 | 0 | 0 | 121.4 | | |
| 803 | N | 35.8 | Very low | 36.1 | Very low | 135 Ų | 135 | 118.2 Ų | 118.2 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | | | | 46.5 | 142.1 | 121.1 | -49.5 | -12.3 | 0 | 0 | 0 | 121.6 | | |
| 804 | T | 37.9 | Very low | 36.1 | Very low | 127 Ų | 127 | 118.6 Ų | 118.6 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | | | | -158.8 | 122 | 83.2 | -69.5 | 0 | 0 | 0 | 0 | 115.2 | | |
| 805 | V | 38.6 | Very low | 36.1 | Very low | 113 Ų | 113 | 120.3 Ų | 120.3 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | | | trans | 26.5 | 128.9 | 134.2 | -156 | 0 | 0 | 0 | 0 | 117.5 | | |
| 806 | T | 37.6 | Very low | 35.9 | Very low | 122 Ų | 122 | 119.1 Ų | 119.1 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | | | | -166.3 | 144.1 | 74.9 | -53.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 807 | T | 34.4 | Very low | 35.3 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 69% | 0.693 | 74% | 0.735 | S | S | * | * | | | trans | -38.9 | 169.3 | 162.9 | 27.1 | 0 | 0 | 0 | 0 | 118 | | |
| 808 | T | 37.2 | Very low | 35 | Very low | 127 Ų | 127 | 120.8 Ų | 120.8 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | | | cis | -160.4 | 154.4 | 30 | -18.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 809 | T | 35.6 | Very low | 34.7 | Very low | 124 Ų | 124 | 118.1 Ų | 118.1 | 76% | 0.761 | 73% | 0.727 | S | S | * | * | | | trans | -71.6 | 174.3 | 156.8 | 6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 810 | P | 40 | Very low | 34.5 | Very low | 100 Ų | 100 | 119.7 Ų | 119.7 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | | | cis | -158 | 173.7 | 46 | 42 | -18.4 | 0 | 0 | 0 | 120.8 | | |
| 811 | T | 32.9 | Very low | 34.4 | Very low | 121 Ų | 121 | 121.9 Ų | 121.9 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | | | trans | 61.9 | 164.4 | 145.3 | 48.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 812 | T | 36.3 | Very low | 34 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 64% | 0.638 | 74% | 0.735 | S | S | * | * | | | cis | -159.3 | 158.7 | 4.5 | -3.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 813 | N | 34.5 | Very low | 33.9 | Very low | 142 Ų | 142 | 121.9 Ų | 121.9 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | | | trans | 58.2 | 157.1 | 141.8 | -69.7 | -12.6 | 0 | 0 | 0 | 122.7 | | |
| 814 | N | 30.8 | Very low | 33.6 | Very low | 135 Ų | 135 | 121.2 Ų | 121.2 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | | | cis | -168.7 | 164.7 | -34.5 | -155.5 | -0.5 | 0 | 0 | 0 | 109.9 | | |
| 815 | T | 31.6 | Very low | 33.4 | Very low | 124 Ų | 124 | 123 Ų | 123 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | | | trans | 72.5 | 141.4 | 154.7 | -47.4 | 0 | 0 | 0 | 0 | 118.9 | | |
| 816 | A | 29 | Very low | 33 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | | | trans | -99 | 165.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 817 | N | 31.7 | Very low | 32.7 | Very low | 151 Ų | 151 | 122.9 Ų | 122.9 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | | | | -162.9 | 167.6 | 115.7 | -127.6 | -21.1 | 0 | 0 | 0 | 116.1 | | |
| 818 | T | 29.3 | Very low | 32.6 | Very low | 120 Ų | 120 | 122.9 Ų | 122.9 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | | | trans | -36.1 | 154.3 | 170.6 | 41.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 819 | S | 30.2 | Very low | 32.5 | Very low | 102 Ų | 102 | 121.5 Ų | 121.5 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | | 155.6 | 111.9 | 122.8 | 179.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 820 | T | 30.7 | Very low | 32.5 | Very low | 122 Ų | 122 | 121.8 Ų | 121.8 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | trans | 3.8 | 133.7 | 140.9 | 23.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 821 | N | 33.4 | Very low | 32.2 | Very low | 169 Ų | 169 | 123.2 Ų | 123.2 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | | | | -152.2 | 156.3 | 116.6 | -111.7 | -24.3 | 0 | 0 | 0 | 111.6 | | |
| 822 | A | 29.5 | Very low | 32.2 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | | | trans | -128.9 | 144.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 823 | T | 34.3 | Very low | 31.9 | Very low | 135 Ų | 135 | 125.5 Ų | 125.5 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | | | trans | -137.9 | 121 | 173.1 | -50.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 824 | T | 29.3 | Very low | 31.9 | Very low | 121 Ų | 121 | 124.9 Ų | 124.9 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | | | trans | -94.7 | 134 | 174.3 | -55.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 825 | I | 34.9 | Very low | 32.2 | Very low | 163 Ų | 163 | 124.7 Ų | 124.7 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | | | trans | -131.6 | 127.6 | 156.5 | -59.3 | -177.2 | 0 | 0 | 0 | 108.1 | | |
| 826 | T | 30.1 | Very low | 32.4 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | | | trans | -104 | 141.8 | -179.3 | -49.1 | 0 | 0 | 0 | 0 | 109.6 | | |
| 827 | S | 31.3 | Very low | 33.2 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | trans | -147.6 | 151.9 | 154.3 | -166.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 828 | T | 32.2 | Very low | 33.3 | Very low | 113 Ų | 113 | 125 Ų | 125 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | | | trans | -127.8 | 128.4 | -167.8 | -52.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 829 | A | 35.9 | Very low | 33.7 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | trans | -136.1 | 121.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 830 | T | 34 | Very low | 33.9 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -103.9 | 118.7 | -173.7 | -50.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 831 | T | 33.9 | Very low | 34.1 | Very low | 131 Ų | 131 | 126.9 Ų | 126.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -130.5 | 126.3 | 172.5 | -45.9 | 0 | 0 | 0 | 0 | 110.1 | L833 | T831-L833 PolarHBondContact O-N 3.47Š|
| 832 | T | 34.2 | Very low | 34.2 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | trans | -70.8 | 123.2 | -173.5 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 833 | L | 30.2 | Very low | 34.5 | Very low | 145 Ų | 145 | 127.3 Ų | 127.3 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | | | trans | -85.9 | 119.8 | 171.1 | -91.2 | 156.7 | 0 | 0 | 0 | 111 | T831 I835 | T831-L833 PolarHBondContact O-N 3.47Å; L833-I835 HydrophobicContact CB-CD1 4.43Å; L833-I835 HydrophobicContact CB-CG1 4.04Å; L833-I835 HydrophobicContact CD2-CG1 4.35Å |
| 834 | T | 34.1 | Very low | 34.8 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 80% | 0.798 | 77% | 0.766 | S | S | * | * | | | trans | -97.6 | 104.1 | 161.2 | -55.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 835 | I | 36.2 | Very low | 35.2 | Very low | 131 Ų | 131 | 127.2 Ų | 127.2 | 67% | 0.672 | 77% | 0.766 | S | S | * | * | | | trans | -96.4 | 115.9 | -173.9 | -51.4 | 178.2 | 0 | 0 | 0 | 110 | L833 | L833-I835 HydrophobicContact CB-CD1 4.43Å; L833-I835 HydrophobicContact CB-CG1 4.04Å; L833-I835 HydrophobicContact CD2-CG1 4.35Å |
| 836 | T | 36.9 | Very low | 35.6 | Very low | 121 Ų | 121 | 127.5 Ų | 127.5 | 74% | 0.742 | 77% | 0.769 | S | S | * | * | | | trans | -97.6 | 123.7 | 159.7 | -56.6 | 0 | 0 | 0 | 0 | 107.5 | T838 | T836-T838 PolarHBondContact O-N 3.31Š|
| 837 | P | 44.3 | Very low | 35.8 | Very low | 115 Ų | 115 | 129.8 Ų | 129.8 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | trans | -78.2 | 110 | -169.9 | 29.2 | -34.5 | 0 | 0 | 0 | 112.8 | | |
| 838 | T | 35.5 | Very low | 36.3 | Very low | 129 Ų | 129 | 128.3 Ų | 128.3 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -92.1 | 119.2 | 158.5 | -6.8 | 0 | 0 | 0 | 0 | 108.8 | T836 T840 | T836-T838 PolarHBondContact O-N 3.31Å; T838-T840 PolarHBondContact O-N 2.89Å |
| 839 | T | 37.1 | Very low | 36.6 | Very low | 139 Ų | 139 | 127.6 Ų | 127.6 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | | | trans | -77.9 | 114.3 | 172.7 | 44.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 840 | T | 33.9 | Very low | 36.8 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | | | trans | -128 | 112.6 | 170.3 | -53.9 | 0 | 0 | 0 | 0 | 108.6 | T838 | T838-T840 PolarHBondContact O-N 2.89Š|
| 841 | T | 35.8 | Very low | 37 | Very low | 134 Ų | 134 | 127.7 Ų | 127.7 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | | | trans | -78.9 | 121.9 | 177.9 | -52.3 | 0 | 0 | 0 | 0 | 109.5 | | |
| 842 | I | 34.2 | Very low | 37.3 | Very low | 140 Ų | 140 | 127 Ų | 127 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | | | trans | -109.3 | 125.5 | 172.2 | -62.6 | 176 | 0 | 0 | 0 | 107.9 | | |
| 843 | T | 36.1 | Very low | 37.6 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 126.5 | 175.7 | -49.2 | 0 | 0 | 0 | 0 | 109.6 | | |
| 844 | I | 40 | Very low | 38.1 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -102.7 | 130 | 174.3 | -58 | 175.4 | 0 | 0 | 0 | 108.4 | | |
| 845 | P | 39.6 | Very low | 38.6 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 119.6 | 175.3 | 33.9 | -29.6 | 0 | 0 | 0 | 112 | | |
| 846 | D | 42.5 | Very low | 38.5 | Very low | 168 Ų | 168 | 122 Ų | 122 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -91 | 141.9 | 164.8 | -86.5 | -42.5 | 0 | 0 | 0 | 110.9 | | |
| 847 | N | 34.1 | Very low | 38.8 | Very low | 161 Ų | 161 | 124.1 Ų | 124.1 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | | | trans | -145.5 | 100.1 | -171.2 | -173.4 | 14.9 | 0 | 0 | 0 | 113.7 | | |
| 848 | A | 41.5 | Very low | 38.5 | Very low | 90 Ų | 90 | 126.3 Ų | 126.3 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | | | trans | -152.9 | 128.7 | 161 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 849 | S | 39.7 | Very low | 38.7 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | cis | 70.1 | 120.6 | 48.6 | -158.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 850 | T | 39.7 | Very low | 38.6 | Very low | 125 Ų | 125 | 124.9 Ų | 124.9 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | | | cis | -164.7 | 164.8 | 8 | -3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 851 | S | 37.9 | Very low | 38.8 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | 68.6 | 144.4 | 150.6 | -112 | 0 | 0 | 0 | 0 | 120.7 | | |
| 852 | T | 40.5 | Very low | 38.9 | Very low | 117 Ų | 117 | 124 Ų | 124 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | | | cis | -163.9 | 148.2 | -11.5 | 1.6 | 0 | 0 | 0 | 0 | 112.8 | | |
| 853 | T | 39.5 | Very low | 39 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | 59.9 | 91 | 144.7 | -41.4 | 0 | 0 | 0 | 0 | 122.7 | | |
| 854 | A | 40.4 | Very low | 39.1 | Very low | 85 Ų | 85 | 123.6 Ų | 123.6 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | | | | 43 | 163.8 | 102.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 855 | P | 44.5 | Very low | 38.8 | Very low | 109 Ų | 109 | 122.6 Ų | 122.6 | 71% | 0.708 | 78% | 0.775 | S | S | * | * | | | cis | -145.3 | 177.7 | -41.9 | 41 | -24.2 | 0 | 0 | 0 | 116.3 | | |
| 856 | S | 35.9 | Very low | 38.6 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | 71.8 | 156.6 | 163.7 | 79.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 857 | I | 42.2 | Very low | 38.1 | Very low | 166 Ų | 166 | 121.3 Ų | 121.3 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | | | cis | -140.9 | 170.1 | 31 | 7 | 171.9 | 0 | 0 | 0 | 114.3 | | |
| 858 | N | 37.3 | Very low | 38.3 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | trans | -63.9 | 148.5 | -176.4 | -71.9 | -20.3 | 0 | 0 | 0 | 116.5 | | |
| 859 | A | 40.1 | Very low | 38 | Very low | 103 Ų | 103 | 121.8 Ų | 121.8 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | | | trans | -158.9 | 142.1 | 134.3 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 860 | T | 35.4 | Very low | 38.1 | Very low | 136 Ų | 136 | 123.2 Ų | 123.2 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -93.6 | 137.8 | -176.9 | -51.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 861 | A | 38.5 | Very low | 37.8 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | trans | -154.5 | 152 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 862 | T | 38 | Very low | 37.7 | Very low | 124 Ų | 124 | 122.2 Ų | 122.2 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | | | trans | -121.1 | 151.2 | -166.2 | -37.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 863 | N | 35.8 | Very low | 37.4 | Very low | 147 Ų | 147 | 122.4 Ų | 122.4 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | | | trans | 93.2 | 147.1 | 139.7 | -127.3 | 6.6 | 0 | 0 | 0 | 121.4 | | |
| 864 | T | 38.2 | Very low | 37.1 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 69% | 0.693 | 78% | 0.782 | S | S | * | * | | | trans | 83.7 | 90.2 | 157.9 | -21.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 865 | T | 33.2 | Very low | 36.8 | Very low | 118 Ų | 118 | 126.2 Ų | 126.2 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | | | | 18.9 | 128.8 | 121.1 | -32 | 0 | 0 | 0 | 0 | 119.8 | | |
| 866 | T | 36.6 | Very low | 36.2 | Very low | 138 Ų | 138 | 127 Ų | 127 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | | | | -163.9 | 141.4 | 126.2 | -74.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 867 | T | 31.5 | Very low | 36.1 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | | | trans | -98.6 | 136.2 | -175.6 | -36.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 868 | T | 38 | Very low | 35.6 | Very low | 137 Ų | 137 | 123.6 Ų | 123.6 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | trans | -149.5 | 119.8 | 160.5 | 26.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 869 | T | 36.4 | Very low | 35.5 | Very low | 124 Ų | 124 | 124 Ų | 124 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | | | trans | -97 | 153 | 165.6 | -30.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 870 | P | 40.6 | Very low | 35.1 | Very low | 130 Ų | 130 | 125.3 Ų | 125.3 | 84% | 0.844 | 78% | 0.776 | S | S | * | * | | | | -138.9 | 172.7 | 122.3 | 36.1 | -23.3 | 0 | 0 | 0 | 113.8 | | |
| 871 | A | 32.8 | Very low | 35 | Very low | 86 Ų | 86 | 124.8 Ų | 124.8 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -105.6 | 163.8 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 872 | S | 35.6 | Very low | 34.7 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | | | trans | -160.2 | 107.2 | 153 | -75.4 | 0 | 0 | 0 | 0 | 106.8 | | |
| 873 | T | 34.4 | Very low | 34.5 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | | 88.1 | 146.5 | 54.6 | -53.2 | 0 | 0 | 0 | 0 | 112.4 | | |
| 874 | I | 34.2 | Very low | 34.4 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | | | trans | 86.1 | 103.7 | 176.3 | -51.8 | -171.5 | 0 | 0 | 0 | 114.1 | | |
| 875 | I | 34.1 | Very low | 34.2 | Very low | 143 Ų | 143 | 127.7 Ų | 127.7 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | | | | 79.5 | 127.2 | 66.3 | -71.8 | 166.1 | 0 | 0 | 0 | 111.8 | | |
| 876 | T | 32.3 | Very low | 34.2 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | cis | -157.8 | -173.8 | -4 | 27.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 877 | T | 32.6 | Very low | 34.1 | Very low | 137 Ų | 137 | 128.1 Ų | 128.1 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | | | cis | -151.8 | -168.5 | 17.4 | -161.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 878 | A | 31.2 | Very low | 34.3 | Very low | 69 Ų | 69 | 127.8 Ų | 127.8 | 57% | 0.57 | 78% | 0.778 | S | S | * | * | | | trans | -104.1 | 163.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 879 | N | 35.3 | Very low | 34 | Very low | 169 Ų | 169 | 126.2 Ų | 126.2 | 90% | 0.904 | 77% | 0.773 | S | S | * | * | | | | -161.1 | 151.8 | 116.8 | -104 | -20.4 | 0 | 0 | 0 | 112.5 | | |
| 880 | T | 31.9 | Very low | 34 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -122.3 | 149.4 | -164.3 | 43 | 0 | 0 | 0 | 0 | 114.1 | | |
| 881 | S | 33 | Very low | 33.9 | Very low | 124 Ų | 124 | 126.1 Ų | 126.1 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | -156 | 124.3 | 147 | -168 | 0 | 0 | 0 | 0 | 109.1 | | |
| 882 | T | 33.6 | Very low | 34.2 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | trans | -116.9 | 142.5 | 180 | 41.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 883 | N | 33.1 | Very low | 34.7 | Very low | 171 Ų | 171 | 127.4 Ų | 127.4 | 91% | 0.914 | 77% | 0.766 | S | S | * | * | | | trans | -145.3 | 134.4 | 153.5 | -144.3 | -12.6 | 0 | 0 | 0 | 109.8 | | |
| 884 | T | 34 | Very low | 35.5 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 69% | 0.693 | 76% | 0.764 | S | S | * | * | | | trans | -116.1 | 132.8 | -162.8 | -55.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 885 | T | 34.2 | Very low | 36.4 | Very low | 138 Ų | 138 | 125.9 Ų | 125.9 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | | | trans | -135.8 | 120.7 | 163.2 | -55.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 886 | T | 32.8 | Very low | 36.5 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 67% | 0.669 | 77% | 0.772 | S | S | * | * | | | trans | -71.8 | 136.6 | -172.8 | -47.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 887 | I | 34.8 | Very low | 36.7 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | | | trans | -103.2 | 109.4 | 160.7 | -59.4 | 176.8 | 0 | 0 | 0 | 107.4 | | |
| 888 | T | 35.2 | Very low | 36.8 | Very low | 110 Ų | 110 | 125.2 Ų | 125.2 | 68% | 0.675 | 77% | 0.766 | S | S | * | * | | | trans | -95 | 97.8 | 177.5 | -49.3 | 0 | 0 | 0 | 0 | 109.9 | T890 | T888-T890 HydrophobicContact CG2-CG2 4.22Å; T888-T890 PolarHBondContact O-N 3.25Å |
| 889 | S | 32.7 | Very low | 36.9 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | trans | -79.7 | 101.9 | 171.4 | -66.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 890 | T | 36 | Very low | 37.2 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | | | trans | -94.9 | 101.1 | 167.5 | 52.4 | 0 | 0 | 0 | 0 | 110.1 | T888 T892 | T888-T890 HydrophobicContact CG2-CG2 4.22Å; T888-T890 PolarHBondContact O-N 3.25Å; T890-T892 PolarHBondContact O-N 2.87Å |
| 891 | T | 38.1 | Very low | 37.4 | Very low | 136 Ų | 136 | 125.8 Ų | 125.8 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | | | trans | -71.8 | 108.4 | 170.2 | 47.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 892 | T | 38.5 | Very low | 37.7 | Very low | 128 Ų | 128 | 127.9 Ų | 127.9 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 122.9 | 172.5 | -48.8 | 0 | 0 | 0 | 0 | 109.6 | T890 | T890-T892 PolarHBondContact O-N 2.87Š|
| 893 | P | 46.6 | Very low | 37.7 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 69% | 0.688 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 156.6 | 175.9 | 29.5 | -34.7 | 0 | 0 | 0 | 111.7 | | |
| 894 | P | 51.8 | Low | 37.9 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 151.5 | 179.1 | 29 | -35.6 | 0 | 0 | 0 | 112 | I896 | P894-I896 PolarHBondContact O-N 2.75Š|
| 895 | P | 52 | Low | 38 | Very low | 125 Ų | 125 | 125.5 Ų | 125.5 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 117.2 | 176.7 | 28.2 | -33.6 | 0 | 0 | 0 | 110.7 | V897 | P895-V897 PolarHBondContact O-N 3.1Š|
| 896 | I | 37.2 | Very low | 38 | Very low | 163 Ų | 163 | 126.2 Ų | 126.2 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 128.1 | 174.7 | -64.9 | 172.9 | 0 | 0 | 0 | 109.2 | P894 S898 | P894-I896 PolarHBondContact O-N 2.75Å; I896-S898 PolarHBondContact O-N 2.85Å |
| 897 | V | 36.5 | Very low | 38.1 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | | | trans | -73.4 | 111.4 | 172.9 | 178.7 | 0 | 0 | 0 | 0 | 108.7 | P895 T899 | P895-V897 PolarHBondContact O-N 3.1Å; V897-T899 HydrophobicContact CG1-CG2 4.28Å; V897-T899 PolarHBondContact O-N 2.83Å |
| 898 | S | 33.4 | Very low | 38.1 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | | | trans | -82.4 | 93.7 | 175.1 | -169.1 | 0 | 0 | 0 | 0 | 110.4 | I896 | I896-S898 PolarHBondContact O-N 2.85Š|
| 899 | T | 35.2 | Very low | 38 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | | | trans | -78 | 116.6 | 168.7 | 50.3 | 0 | 0 | 0 | 0 | 109.9 | V897 P901 | V897-T899 HydrophobicContact CG1-CG2 4.28Å; V897-T899 PolarHBondContact O-N 2.83Å; T899-P901 WeakPolarHBondContact O-CD 3.26Å |
| 900 | I | 41.7 | Very low | 38.3 | Very low | 154 Ų | 154 | 124.9 Ų | 124.9 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | trans | -88.3 | 115.2 | 164.5 | -60 | 174.8 | 0 | 0 | 0 | 107.4 | | |
| 901 | P | 35.4 | Very low | 38.1 | Very low | 108 Ų | 108 | 125 Ų | 125 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | | | trans | -84.6 | 135.6 | 165.9 | 34 | -30.1 | 0 | 0 | 0 | 109.7 | T899 | T899-P901 WeakPolarHBondContact O-CD 3.26Š|
| 902 | D | 39 | Very low | 37.9 | Very low | 168 Ų | 168 | 124 Ų | 124 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | | | trans | -150.2 | 137.6 | 143.9 | -111.5 | -35.7 | 0 | 0 | 0 | 108.9 | | |
| 903 | N | 33.7 | Very low | 37.8 | Very low | 158 Ų | 158 | 122.8 Ų | 122.8 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | | | trans | -127.6 | 107.5 | -163.4 | 176.6 | 25.7 | 0 | 0 | 0 | 111.1 | | |
| 904 | A | 37.7 | Very low | 37.1 | Very low | 96 Ų | 96 | 122.2 Ų | 122.2 | 79% | 0.793 | 76% | 0.757 | S | S | * | * | | | trans | -144.6 | 121.9 | 166 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 905 | S | 35.5 | Very low | 36.2 | Very low | 105 Ų | 105 | 124.8 Ų | 124.8 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -66.6 | 170.8 | 169.6 | 47.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 906 | I | 35.3 | Very low | 35.4 | Very low | 153 Ų | 153 | 124 Ų | 124 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | | -158.7 | 129.8 | 54.7 | -68 | 162.1 | 0 | 0 | 0 | 112 | | |
| 907 | S | 33.6 | Very low | 35.1 | Very low | 93 Ų | 93 | 122.7 Ų | 122.7 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | | | trans | 48 | 112.7 | 141.8 | -139 | 0 | 0 | 0 | 0 | 124 | | |
| 908 | T | 35.1 | Very low | 34.9 | Very low | 117 Ų | 117 | 121.9 Ų | 121.9 | 72% | 0.718 | 75% | 0.751 | S | S | * | * | | | | 66.9 | 121.5 | 124.1 | 58.3 | 0 | 0 | 0 | 0 | 124.6 | | |
| 909 | S | 32.9 | Very low | 35.1 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | | | trans | 90.2 | 147 | 130.2 | -67.6 | 0 | 0 | 0 | 0 | 121 | | |
| 910 | P | 38.8 | Very low | 35 | Very low | 125 Ų | 125 | 122.1 Ų | 122.1 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | trans | -130.5 | 165.4 | -147.6 | 40.2 | -22.6 | 0 | 0 | 0 | 116.2 | | |
| 911 | S | 31.8 | Very low | 34.7 | Very low | 118 Ų | 118 | 119.7 Ų | 119.7 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | | | trans | -153.5 | 145.2 | 150.6 | -156.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 912 | P | 35.4 | Very low | 34.6 | Very low | 116 Ų | 116 | 121 Ų | 121 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | | | trans | -91.6 | 146.6 | -162.3 | 34.6 | -34.9 | 0 | 0 | 0 | 114.2 | | |
| 913 | S | 34.8 | Very low | 34.4 | Very low | 101 Ų | 101 | 119.5 Ų | 119.5 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | | | trans | -157.1 | 131.9 | 159.1 | -84.5 | 0 | 0 | 0 | 0 | 112.7 | | |
| 914 | N | 32.5 | Very low | 34.6 | Very low | 95 Ų | 95 | 118 Ų | 118 | 51% | 0.508 | 72% | 0.724 | S | S | . | * | | | trans | -16.7 | 120.9 | 171.4 | -62.9 | -33.2 | 0 | 0 | 0 | 117.6 | T70 | T70-N914 PolarHBondContact OG1-ND2 3.48Š|
| 915 | I | 33.8 | Very low | 34.3 | Very low | 162 Ų | 162 | 118.9 Ų | 118.9 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | | | trans | -147.1 | 123.5 | 147.8 | -104.2 | 149.1 | 0 | 0 | 0 | 111.4 | | |
| 916 | T | 33.6 | Very low | 34.3 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 66% | 0.663 | 72% | 0.718 | S | S | * | * | | | trans | 22.1 | 114.8 | 150.7 | -44 | 0 | 0 | 0 | 0 | 120.1 | T918 | T916-T918 PolarHBondContact O-N 2.79Š|
| 917 | T | 31.1 | Very low | 34.3 | Very low | 136 Ų | 136 | 118.8 Ų | 118.8 | 83% | 0.834 | 72% | 0.715 | S | S | * | * | | | trans | -67.1 | 88.9 | 156.7 | -50.7 | 0 | 0 | 0 | 0 | 110.5 | T919 | T917-T919 PolarHBondContact O-N 2.9Š|
| 918 | T | 33.9 | Very low | 34.5 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 64% | 0.644 | 72% | 0.718 | S | S | * | * | | | trans | -75.7 | 111.5 | 170.2 | -58.8 | 0 | 0 | 0 | 0 | 109.4 | T916 T920 | T916-T918 PolarHBondContact O-N 2.79Å; T918-T920 VanDerWaalsContact C-N 3.31Å; T918-T920 PolarHBondContact O-N 3.12Å |
| 919 | T | 35.7 | Very low | 34.4 | Very low | 117 Ų | 117 | 118.5 Ų | 118.5 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | | | trans | -69.3 | 88.1 | 171.5 | -53.8 | 0 | 0 | 0 | 0 | 109.7 | T917 T921 | T917-T919 PolarHBondContact O-N 2.9Å; T919-T921 VanDerWaalsContact C-N 3.29Å; T919-T921 PolarHBondContact O-N 2.87Å |
| 920 | T | 33.9 | Very low | 34.6 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 69% | 0.693 | 71% | 0.713 | S | S | * | * | | | trans | -69.9 | 87.4 | 173.5 | -54.7 | 0 | 0 | 0 | 0 | 109.5 | T918 L922 | T918-T920 VanDerWaalsContact C-N 3.31Å; T918-T920 PolarHBondContact O-N 3.12Å; T920-L922 VanDerWaalsContact C-N 3.34Å; T920-L922 PolarHBondContact O-N 2.89Å |
| 921 | T | 35.5 | Very low | 34.5 | Very low | 104 Ų | 104 | 118.9 Ų | 118.9 | 64% | 0.638 | 71% | 0.714 | S | S | * | * | | | trans | -62.9 | 93.7 | 172.5 | -56.4 | 0 | 0 | 0 | 0 | 109.3 | T919 N923 | T919-T921 VanDerWaalsContact C-N 3.29Å; T919-T921 PolarHBondContact O-N 2.87Å; T921-N923 VanDerWaalsContact C-N 3.29Å; T921-N923 PolarHBondContact O-N 3.45Å |
| 922 | L | 33.9 | Very low | 34.8 | Very low | 136 Ų | 136 | 118.7 Ų | 118.7 | 71% | 0.712 | 71% | 0.708 | S | S | * | * | | | trans | -73.3 | 86.2 | 177.6 | -165.8 | 76.5 | 0 | 0 | 0 | 109.3 | T920 I924 | T920-L922 VanDerWaalsContact C-N 3.34Å; T920-L922 PolarHBondContact O-N 2.89Å; L922-I924 HydrophobicContact CD2-CD1 4.05Å; L922-I924 HydrophobicContact CD2-CG1 3.88Å; L922-I924 HydrophobicContact CG-CG1 4.05Å; L922-I924 PolarHBondContact O-N 3.27Å |
| 923 | N | 35 | Very low | 35 | Very low | 135 Ų | 135 | 119.4 Ų | 119.4 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | | | trans | -64.8 | 85 | 169.7 | -84.4 | -9.1 | 0 | 0 | 0 | 109.6 | T921 T925 | T921-N923 VanDerWaalsContact C-N 3.29Å; T921-N923 PolarHBondContact O-N 3.45Å; N923-T925 VanDerWaalsContact C-N 3.25Å; N923-T925 PolarHBondContact O-N 3.41Å |
| 924 | I | 36 | Very low | 35.2 | Very low | 128 Ų | 128 | 121.5 Ų | 121.5 | 66% | 0.656 | 71% | 0.714 | S | S | * | * | | | trans | -70.9 | 88.3 | 167 | -55.8 | 179.9 | 0 | 0 | 0 | 107.3 | L922 I926 | L922-I924 HydrophobicContact CD2-CD1 4.05Å; L922-I924 HydrophobicContact CD2-CG1 3.88Å; L922-I924 HydrophobicContact CG-CG1 4.05Å; L922-I924 PolarHBondContact O-N 3.27Å; I924-I926 HydrophobicContact CG2-CG1 4.05Å; I924-I926 PolarHBondContact O-N 3.44Å |
| 925 | T | 33.2 | Very low | 35.6 | Very low | 113 Ų | 113 | 124.4 Ų | 124.4 | 69% | 0.693 | 73% | 0.729 | S | S | * | * | | | trans | -64 | 97.8 | 166.6 | -58.4 | 0 | 0 | 0 | 0 | 108.3 | N923 T927 | N923-T925 VanDerWaalsContact C-N 3.25Å; N923-T925 PolarHBondContact O-N 3.41Å; T925-T927 PolarHBondContact O-N 3.49Å |
| 926 | I | 35.5 | Very low | 35.7 | Very low | 139 Ų | 139 | 124.4 Ų | 124.4 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | | | trans | -73.1 | 84.4 | 171.8 | -56.8 | 179.4 | 0 | 0 | 0 | 107.8 | I924 T928 | I924-I926 HydrophobicContact CG2-CG1 4.05Å; I924-I926 PolarHBondContact O-N 3.44Å; I926-T928 PolarHBondContact O-N 2.63Å; I926-T928 PolarHBondContact O-OG1 3.33Å |
| 927 | T | 34 | Very low | 35.8 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 72% | 0.724 | 73% | 0.732 | S | S | * | * | | | trans | -62 | 99 | 173.8 | -58.5 | 0 | 0 | 0 | 0 | 108.9 | T925 A929 | T925-T927 PolarHBondContact O-N 3.49Å; T927-A929 PolarHBondContact O-N 2.95Å |
| 928 | T | 37.4 | Very low | 36 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | | | trans | -75.6 | 94.6 | -176.4 | -56.1 | 0 | 0 | 0 | 0 | 109.2 | I926 T930 | I926-T928 PolarHBondContact O-N 2.63Å; I926-T928 PolarHBondContact O-OG1 3.33Å; T928-T930 PolarHBondContact O-N 3.38Å |
| 929 | A | 34.4 | Very low | 36.3 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | | | trans | -70.1 | 89.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T927 T931 | T927-A929 PolarHBondContact O-N 2.95Å; A929-T931 PolarHBondContact O-N 3.48Å |
| 930 | T | 37.4 | Very low | 36.5 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | | | trans | -70.1 | 105.7 | 170.8 | 47 | 0 | 0 | 0 | 0 | 110.3 | T928 T932 | T928-T930 PolarHBondContact O-N 3.38Å; T930-T932 PolarHBondContact O-N 3.4Å; T930-T932 VanDerWaalsContact O-N 3.14Å |
| 931 | T | 36.5 | Very low | 36.7 | Very low | 135 Ų | 135 | 125.8 Ų | 125.8 | 83% | 0.828 | 74% | 0.737 | S | S | * | * | | | trans | -75.8 | 94.3 | 170.1 | 28.8 | 0 | 0 | 0 | 0 | 110.7 | A929 T933 | A929-T931 PolarHBondContact O-N 3.48Å; T931-T933 PolarHBondContact O-N 3.33Å |
| 932 | T | 38.3 | Very low | 36.6 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | | | trans | -72.6 | 112.7 | 176.5 | -42 | 0 | 0 | 0 | 0 | 110.9 | T930 N934 | T930-T932 PolarHBondContact O-N 3.4Å; T930-T932 VanDerWaalsContact O-N 3.14Å; T932-N934 PolarHBondContact O-N 3.47Å |
| 933 | T | 38.4 | Very low | 37.1 | Very low | 132 Ų | 132 | 125.9 Ų | 125.9 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | | | trans | -80.2 | 93.6 | 176.5 | 7 | 0 | 0 | 0 | 0 | 111.5 | T931 | T931-T933 PolarHBondContact O-N 3.33Š|
| 934 | N | 39.1 | Very low | 37.5 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | | | trans | -96.9 | 114.9 | 164.9 | -79.8 | -1.3 | 0 | 0 | 0 | 109.9 | T932 | T932-N934 PolarHBondContact O-N 3.47Š|
| 935 | N | 40.8 | Very low | 37.5 | Very low | 155 Ų | 155 | 124.4 Ų | 124.4 | 83% | 0.829 | 76% | 0.759 | S | S | * | * | | | trans | -71.6 | 132 | 172.7 | -70.8 | -22.1 | 0 | 0 | 0 | 110.6 | | |
| 936 | N | 36.6 | Very low | 37.6 | Very low | 162 Ų | 162 | 126 Ų | 126 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | | | trans | -139 | 149.8 | 132.5 | -158.8 | 5.2 | 0 | 0 | 0 | 109.7 | | |
| 937 | I | 35.9 | Very low | 37.9 | Very low | 132 Ų | 132 | 125 Ų | 125 | 68% | 0.677 | 76% | 0.763 | S | S | * | * | | | trans | -103.2 | 131 | -167.9 | -63.6 | 166.9 | 0 | 0 | 0 | 110 | I939 | I937-I939 HydrophobicContact CG2-CG1 4.31Š|
| 938 | T | 34.7 | Very low | 38 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | | | trans | -139.6 | 110.3 | 148.6 | -52 | 0 | 0 | 0 | 0 | 109.5 | | |
| 939 | I | 39.5 | Very low | 38.3 | Very low | 139 Ų | 139 | 126 Ų | 126 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | | | trans | -102.8 | 122.3 | 166.9 | -60.7 | 173.3 | 0 | 0 | 0 | 107.2 | I937 A941 | I937-I939 HydrophobicContact CG2-CG1 4.31Å; I939-A941 PolarHBondContact O-N 2.74Å |
| 940 | P | 41 | Very low | 38.3 | Very low | 120 Ų | 120 | 127.4 Ų | 127.4 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | | | trans | -77.5 | 87.3 | 176.1 | 31 | -33.4 | 0 | 0 | 0 | 110.9 | S942 | P940-S942 PolarHBondContact O-N 2.78Å; P940-S942 VanDerWaalsContact O-N 3.16Å |
| 941 | A | 37.1 | Very low | 38.5 | Very low | 81 Ų | 81 | 127 Ų | 127 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | trans | -77.8 | 92.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I939 T943 | I939-A941 PolarHBondContact O-N 2.74Å; A941-T943 PolarHBondContact O-N 2.9Å |
| 942 | S | 34.4 | Very low | 38.7 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | | | trans | -70.5 | 112.9 | 172.2 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | P940 | P940-S942 PolarHBondContact O-N 2.78Å; P940-S942 VanDerWaalsContact O-N 3.16Å |
| 943 | T | 44.2 | Very low | 38.7 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | | | trans | -137.6 | 104.4 | 175 | -28 | 0 | 0 | 0 | 0 | 109.6 | A941 | A941-T943 PolarHBondContact O-N 2.9Š|
| 944 | N | 42.4 | Very low | 38.6 | Very low | 160 Ų | 160 | 126.5 Ų | 126.5 | 86% | 0.856 | 76% | 0.76 | S | S | * | * | | | trans | -79.5 | 146 | 166.2 | -77.8 | -26.1 | 0 | 0 | 0 | 108.9 | | |
| 945 | G | 36.4 | Very low | 38.6 | Very low | 72 Ų | 72 | 126.4 Ų | 126.4 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | | | trans | 157.5 | 12.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | | |
| 946 | N | 36.7 | Very low | 38.4 | Very low | 146 Ų | 146 | 125.1 Ų | 125.1 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | | | trans | 75.2 | 162 | 150.9 | -156.9 | 18.4 | 0 | 0 | 0 | 119.9 | | |
| 947 | T | 39.8 | Very low | 38.3 | Very low | 117 Ų | 117 | 120.3 Ų | 120.3 | 72% | 0.718 | 75% | 0.745 | S | S | * | * | | | trans | 57.4 | 105.1 | 171.4 | 45.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 948 | T | 36.9 | Very low | 38.1 | Very low | 111 Ų | 111 | 122.8 Ų | 122.8 | 68% | 0.681 | 75% | 0.754 | S | S | * | * | | | cis | 95.5 | 103 | 37 | -60.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 949 | T | 43.2 | Very low | 37.9 | Very low | 142 Ų | 142 | 120.7 Ų | 120.7 | 87% | 0.871 | 74% | 0.74 | S | S | * | * | | | trans | -174.9 | 76.1 | 137.6 | 19.3 | 0 | 0 | 0 | 0 | 113 | | |
| 950 | T | 35.3 | Very low | 37.5 | Very low | 119 Ų | 119 | 119.4 Ų | 119.4 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | | | | -3.8 | 162.5 | 128.9 | 3.4 | 0 | 0 | 0 | 0 | 119.7 | | |
| 951 | P | 41 | Very low | 37 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | | | | -138.6 | 177.6 | -66.6 | 43.4 | -26.9 | 0 | 0 | 0 | 114.6 | | |
| 952 | T | 42.1 | Very low | 36.7 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | | | trans | -165.6 | 117.3 | 147.9 | 17.6 | 0 | 0 | 0 | 0 | 106.1 | | |
| 953 | D | 38 | Very low | 36.6 | Very low | 141 Ų | 141 | 122.6 Ų | 122.6 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | | | | 76 | 139.8 | 85.7 | -81.3 | -34.6 | 0 | 0 | 0 | 114.3 | | |
| 954 | T | 35.3 | Very low | 35.8 | Very low | 105 Ų | 105 | 123 Ų | 123 | 64% | 0.644 | 74% | 0.742 | S | S | * | * | | | cis | -168.6 | 169.9 | -13.8 | -118.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 955 | I | 39.2 | Very low | 35.5 | Very low | 143 Ų | 143 | 122 Ų | 122 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | trans | 70.3 | 111.3 | 175.7 | -79 | 157.7 | 0 | 0 | 0 | 113.3 | | |
| 956 | T | 37.6 | Very low | 35.3 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | | | | 65.7 | 124.9 | 69.1 | -54 | 0 | 0 | 0 | 0 | 111.9 | | |
| 957 | G | 34.7 | Very low | 35.2 | Very low | 61 Ų | 61 | 123.7 Ų | 123.7 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | | | cis | 142.4 | 167.3 | 3.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 958 | E | 30.6 | Very low | 35 | Very low | 185 Ų | 185 | 126.9 Ų | 126.9 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | 67.8 | 159.9 | 160.2 | -64.7 | -149 | -174 | 0 | 0 | 117.8 | | |
| 959 | T | 31.2 | Very low | 34.8 | Very low | 92 Ų | 92 | 130 Ų | 130 | 56% | 0.564 | 76% | 0.756 | S | S | * | * | | | cis | -166.1 | 126.6 | -21.1 | -93.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 960 | T | 31.5 | Very low | 34.6 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | | | trans | 64.9 | -178.7 | 156.3 | -49.5 | 0 | 0 | 0 | 0 | 112.4 | S962 | T960-S962 WeakPolarHBondContact CG2-OG 2.96Š|
| 961 | I | 30.4 | Very low | 34.5 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | | | cis | -144.3 | 130.3 | 27.9 | -66.3 | 157.1 | 0 | 0 | 0 | 107.9 | | |
| 962 | S | 29.6 | Very low | 34.3 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 62% | 0.622 | 75% | 0.749 | S | S | * | * | | | cis | 71.4 | 66.3 | 46.8 | -63.7 | 0 | 0 | 0 | 0 | 115.4 | T960 V964 | T960-S962 WeakPolarHBondContact CG2-OG 2.96Å; S962-V964 VanDerWaalsContact C-N 3.3Å; S962-V964 PolarHBondContact O-N 2.9Å |
| 963 | T | 32.1 | Very low | 34.1 | Very low | 146 Ų | 146 | 129.9 Ų | 129.9 | 90% | 0.896 | 75% | 0.747 | S | S | * | * | | | trans | -72.3 | 82.4 | 167 | 52 | 0 | 0 | 0 | 0 | 111.6 | | |
| 964 | V | 28.4 | Very low | 34.2 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 81% | 0.806 | 74% | 0.742 | S | S | * | * | | | trans | -94.6 | 138.4 | 150.8 | 173.5 | 0 | 0 | 0 | 0 | 107.3 | S962 S966 | S962-V964 VanDerWaalsContact C-N 3.3Å; S962-V964 PolarHBondContact O-N 2.9Å; V964-S966 PolarHBondContact O-N 3.39Å |
| 965 | T | 35.9 | Very low | 34.5 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 87% | 0.865 | 74% | 0.743 | S | S | * | * | | | trans | -74.3 | 117.1 | -173.7 | -42.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 966 | S | 32.6 | Very low | 34.6 | Very low | 107 Ų | 107 | 128.5 Ų | 128.5 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | trans | -149.2 | 145.4 | 153.8 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | V964 | V964-S966 PolarHBondContact O-N 3.39Š|
| 967 | N | 33.3 | Very low | 34.9 | Very low | 145 Ų | 145 | 129.7 Ų | 129.7 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | | | trans | -49.7 | 159.7 | 177 | -48.3 | -7.5 | 0 | 0 | 0 | 111.5 | | |
| 968 | E | 35.9 | Very low | 35.1 | Very low | 184 Ų | 184 | 133.2 Ų | 133.2 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | | | | -161.9 | -169.6 | 53.4 | -157.5 | 153.3 | -132.6 | 0 | 0 | 113.3 | | |
| 969 | E | 33.9 | Very low | 35.6 | Very low | 178 Ų | 178 | 129.4 Ų | 129.4 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | | | trans | -83.8 | 150.2 | -163.3 | -56.2 | 178.9 | 117.4 | 0 | 0 | 115.9 | | |
| 970 | T | 38.8 | Very low | 35.9 | Very low | 128 Ų | 128 | 133.2 Ų | 133.2 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | | | trans | -169.4 | 120.8 | 149 | 7.2 | 0 | 0 | 0 | 0 | 105.5 | | |
| 971 | S | 33.4 | Very low | 36.2 | Very low | 98 Ų | 98 | 135.3 Ų | 135.3 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | | | cis | 56.8 | 126.9 | 42.7 | 101.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 972 | T | 36.8 | Very low | 36.6 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | | | cis | -160.2 | 133.4 | 28.5 | -68.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 973 | E | 37.1 | Very low | 36.7 | Very low | 154 Ų | 154 | 134 Ų | 134 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | | | trans | 58.3 | 164.5 | 159.6 | -69.2 | -165.1 | 126.4 | 0 | 0 | 118.6 | | |
| 974 | K | 39.6 | Very low | 37 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 65% | 0.648 | 74% | 0.74 | S | S | * | * | | | cis | -156.6 | 164.4 | 4.1 | -138.9 | 176.1 | -173.7 | 83.6 | 0 | 109.9 | | |
| 975 | S | 42.9 | Very low | 37 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | | | trans | 65 | 137.5 | 151.4 | 62.7 | 0 | 0 | 0 | 0 | 120.2 | | |
| 976 | N | 41.4 | Very low | 37 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 62% | 0.62 | 73% | 0.734 | S | S | * | * | | | cis | -167.2 | 163.1 | -20.6 | -118.6 | 18.9 | 0 | 0 | 0 | 108.1 | | |
| 977 | E | 43.2 | Very low | 36.7 | Very low | 151 Ų | 151 | 133 Ų | 133 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | trans | 50.1 | 129.2 | 142 | -65.3 | 152.3 | 172 | 0 | 0 | 119.4 | | |
| 978 | D | 39.2 | Very low | 37.2 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | | | cis | -167 | 159.4 | 0.4 | -126.7 | -1.7 | 0 | 0 | 0 | 114.2 | | |
| 979 | V | 40.4 | Very low | 37 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 64% | 0.642 | 72% | 0.724 | S | S | * | * | | | trans | 55.7 | 105.6 | 138.3 | 170.9 | 0 | 0 | 0 | 0 | 120.3 | | |
| 980 | E | 37.2 | Very low | 36.6 | Very low | 171 Ų | 171 | 124.2 Ų | 124.2 | 80% | 0.799 | 72% | 0.715 | S | S | * | * | | | | 91.9 | 150 | 128.5 | -84.5 | -175 | 174.9 | 0 | 0 | 125.2 | | |
| 981 | M | 38.6 | Very low | 36.1 | Very low | 157 Ų | 157 | 124.7 Ų | 124.7 | 77% | 0.773 | 72% | 0.718 | S | S | * | * | | | trans | 81.7 | 113 | 161.5 | -60.8 | -108.1 | -104.3 | 0 | 0 | 115.9 | | |
| 982 | S | 38.2 | Very low | 36 | Very low | 105 Ų | 105 | 124.9 Ų | 124.9 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | | | cis | 65.7 | 138.3 | 33.1 | -159.3 | 0 | 0 | 0 | 0 | 114.5 | | |
| 983 | S | 31.3 | Very low | 35.7 | Very low | 107 Ų | 107 | 126 Ų | 126 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | trans | 61.2 | 148.6 | -173.2 | 77.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 984 | G | 39.4 | Very low | 35.4 | Very low | 72 Ų | 72 | 125.5 Ų | 125.5 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | | | trans | -106.8 | 149.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 985 | T | 28.7 | Very low | 35 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 66% | 0.656 | 73% | 0.726 | S | S | * | * | | | trans | -151.8 | 139.6 | 164.1 | 42.3 | 0 | 0 | 0 | 0 | 111.4 | Y987 | T985-Y987 HydrophobicContact CG2-CD2 3.61Å; T985-Y987 HydrophobicContact CG2-CE2 3.7Å |
| 986 | T | 34.9 | Very low | 34.6 | Very low | 143 Ų | 143 | 124.5 Ų | 124.5 | 88% | 0.877 | 74% | 0.735 | S | S | * | * | | | trans | 174.4 | 62.8 | 153.5 | -67.3 | 0 | 0 | 0 | 0 | 104 | | |
| 987 | Y | 26.3 | Very low | 34.4 | Very low | 183 Ų | 183 | 122.2 Ų | 122.2 | 72% | 0.718 | 74% | 0.739 | S | S | * | * | | | | 58.3 | 113.4 | 75.2 | -105.2 | -94.9 | 0 | 0 | 0 | 113.5 | T985 | T985-Y987 HydrophobicContact CG2-CD2 3.61Å; T985-Y987 HydrophobicContact CG2-CE2 3.7Å |
| 988 | T | 44.7 | Very low | 33.8 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | -49.2 | 142.2 | 153.5 | 42.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 989 | P | 30.9 | Very low | 33.4 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | | | | -123.4 | 123.6 | 117.2 | -0.2 | 20.8 | 0 | 0 | 0 | 110 | | |
| 990 | S | 25.8 | Very low | 32.9 | Very low | 92 Ų | 92 | 124.6 Ų | 124.6 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | | | | 74.9 | 111.9 | 76 | -62.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 991 | T | 28 | Very low | 32.6 | Very low | 137 Ų | 137 | 122 Ų | 122 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | | | trans | 45.7 | 116.3 | 141.9 | 59.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 992 | S | 30.6 | Very low | 32.1 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | | | | -151 | 144.8 | 96.4 | 61.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 993 | N | 30.9 | Very low | 31.7 | Very low | 131 Ų | 131 | 119.9 Ų | 119.9 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | | | trans | 51.2 | 117.9 | 141.4 | -66.2 | -23.7 | 0 | 0 | 0 | 119.3 | | |
| 994 | N | 31 | Very low | 32.2 | Very low | 144 Ų | 144 | 120 Ų | 120 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | | | | 59.5 | 132.3 | 76.9 | -66.5 | -40.3 | 0 | 0 | 0 | 111.9 | | |
| 995 | S | 32 | Very low | 32 | Very low | 101 Ų | 101 | 121.5 Ų | 121.5 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | cis | -171.5 | 169.9 | -3 | 179 | 0 | 0 | 0 | 0 | 107 | | |
| 996 | S | 33.2 | Very low | 32.1 | Very low | 123 Ų | 123 | 124 Ų | 124 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | | | trans | 64.1 | 135 | -174.1 | 77 | 0 | 0 | 0 | 0 | 114.7 | | |
| 997 | G | 37.1 | Very low | 32 | Very low | 68 Ų | 68 | 122.9 Ų | 122.9 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | | | cis | 155.8 | 173.9 | -9.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 998 | K | 31.8 | Very low | 32.3 | Very low | 187 Ų | 187 | 120.6 Ų | 120.6 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | | | trans | 47.2 | 96 | 152.1 | -179.8 | -177.3 | 175.5 | -175.2 | 0 | 114.8 | | |
| 999 | M | 31.2 | Very low | 31.9 | Very low | 142 Ų | 142 | 119.3 Ų | 119.3 | 70% | 0.7 | 72% | 0.724 | S | S | * | * | | | cis | -149 | 149.8 | 47.2 | -74.5 | -172.2 | -174 | 0 | 0 | 109.3 | | |
| 1000 | T | 29.7 | Very low | 32.1 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 69% | 0.693 | 72% | 0.723 | S | S | * | * | | | | 63.1 | 147.5 | 53.4 | 73.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 1001 | T | 29.5 | Very low | 32.7 | Very low | 118 Ų | 118 | 124.1 Ų | 124.1 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | | | trans | 68.1 | 137.1 | 164 | 37.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1002 | S | 28.8 | Very low | 33.2 | Very low | 104 Ų | 104 | 122 Ų | 122 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | | 66.9 | 139.9 | 59.5 | -143.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1003 | T | 30.3 | Very low | 33.5 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 69% | 0.693 | 72% | 0.72 | S | S | * | * | | | cis | -153.6 | 149.7 | 43.6 | 48.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1004 | T | 41.9 | Very low | 33.9 | Very low | 108 Ų | 108 | 121 Ų | 121 | 66% | 0.663 | 72% | 0.72 | S | S | * | * | | | trans | -57.8 | 142.1 | 150.5 | -30.9 | 0 | 0 | 0 | 0 | 110.1 | E1006 | T1004-E1006 HydrophobicContact CG2-CB 3.93Å; T1004-E1006 HydrophobicContact CG2-CG 4Å |
| 1005 | P | 35.6 | Very low | 34.2 | Very low | 104 Ų | 104 | 118.6 Ų | 118.6 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | | | | -123.8 | 140.8 | 115.8 | -2.3 | 22.8 | 0 | 0 | 0 | 110.5 | | |
| 1006 | E | 30.8 | Very low | 34.3 | Very low | 159 Ų | 159 | 122.2 Ų | 122.2 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | | | cis | 53.7 | 58 | 16.9 | -84.4 | -159.9 | 153.7 | 0 | 0 | 114.7 | T1004 | T1004-E1006 HydrophobicContact CG2-CB 3.93Å; T1004-E1006 HydrophobicContact CG2-CG 4Å |
| 1007 | T | 31.6 | Very low | 34.5 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | | | trans | -142.2 | 120 | 130.6 | 44.5 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1008 | N | 33.8 | Very low | 34.4 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | | | cis | 112.4 | 152.9 | 34.3 | -95 | -25 | 0 | 0 | 0 | 108.8 | | |
| 1009 | S | 34.9 | Very low | 34.6 | Very low | 89 Ų | 89 | 122.9 Ų | 122.9 | 62% | 0.622 | 72% | 0.718 | S | S | * | * | | | trans | 68.4 | 113.2 | 170.9 | -65.9 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1010 | Q | 35.7 | Very low | 34.9 | Very low | 158 Ų | 158 | 123.1 Ų | 123.1 | 74% | 0.738 | 72% | 0.722 | S | S | * | * | | | | 73.4 | 141.3 | 72.1 | -74.1 | 173.8 | -74.2 | 0 | 0 | 112.2 | | |
| 1011 | E | 37.6 | Very low | 35.4 | Very low | 150 Ų | 150 | 124.6 Ų | 124.6 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | | | cis | -170.6 | 173.6 | -7.3 | 173.9 | 169.7 | 159.1 | 0 | 0 | 107.6 | | |
| 1012 | S | 38.4 | Very low | 35.7 | Very low | 93 Ų | 93 | 121.7 Ų | 121.7 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | | | trans | 73.8 | 109.2 | 159.1 | -99.3 | 0 | 0 | 0 | 0 | 119.9 | | |
| 1013 | T | 38.8 | Very low | 36 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 77% | 0.773 | 72% | 0.723 | S | S | * | * | | | | 86.3 | 115.4 | 106.2 | -58.4 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1014 | A | 38.6 | Very low | 36.4 | Very low | 85 Ų | 85 | 125.4 Ų | 125.4 | 70% | 0.702 | 73% | 0.73 | S | S | * | * | | | trans | 73 | 101.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 1015 | A | 36.2 | Very low | 36.1 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | | 87.5 | 161.5 | 107.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 1016 | M | 35.2 | Very low | 36.1 | Very low | 177 Ų | 177 | 127.6 Ų | 127.6 | 87% | 0.872 | 74% | 0.74 | S | S | * | * | | | trans | 75.9 | 127.8 | 165.2 | -75.9 | -167.2 | 167.8 | 0 | 0 | 120.4 | | |
| 1017 | V | 36.2 | Very low | 36.5 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 73% | 0.733 | 74% | 0.742 | S | S | * | * | | | trans | 72 | 143 | 133.3 | 166.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 1018 | Q | 35.4 | Very low | 36.9 | Very low | 163 Ų | 163 | 127 Ų | 127 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | | | cis | -164.1 | 155.8 | -21.7 | 175.7 | 169.6 | -18.7 | 0 | 0 | 109.8 | | |
| 1019 | V | 36.3 | Very low | 37.2 | Very low | 108 Ų | 108 | 126.3 Ų | 126.3 | 66% | 0.655 | 74% | 0.739 | S | S | * | * | | | trans | -34.2 | 132.4 | 170.5 | -164.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1020 | N | 37.8 | Very low | 37.3 | Very low | 146 Ų | 146 | 128.4 Ų | 128.4 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | | | | 176.7 | 132.8 | 124.3 | -84.2 | -27.9 | 0 | 0 | 0 | 109.7 | | |
| 1021 | N | 39.1 | Very low | 37.5 | Very low | 145 Ų | 145 | 126.5 Ų | 126.5 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | | | cis | 88.4 | 124 | 23 | -160.1 | 50.8 | 0 | 0 | 0 | 115.8 | | |
| 1022 | G | 36.9 | Very low | 37.5 | Very low | 57 Ų | 57 | 126.2 Ų | 126.2 | 59% | 0.588 | 76% | 0.755 | S | S | * | * | | | trans | 89.2 | 117.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1023 | S | 35.7 | Very low | 37.5 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | | | trans | -174.8 | 117 | 136.9 | 52.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 1024 | E | 37.1 | Very low | 37.5 | Very low | 180 Ų | 180 | 126.7 Ų | 126.7 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | cis | 74.4 | 118.2 | 32.9 | -55.2 | -166.7 | -174.9 | 0 | 0 | 115.9 | | |
| 1025 | S | 36 | Very low | 37.5 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | | | trans | 177.4 | 137.3 | 168.7 | -86.7 | 0 | 0 | 0 | 0 | 106.9 | | |
| 1026 | L | 36.7 | Very low | 37.8 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | cis | -140.5 | 140.9 | 8.6 | -89.3 | 129.8 | 0 | 0 | 0 | 108.1 | | |
| 1027 | M | 38.1 | Very low | 37.9 | Very low | 159 Ų | 159 | 129.7 Ų | 129.7 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | | | | 57.6 | 149.3 | 97.9 | -67.5 | -86.6 | -163.6 | 0 | 0 | 115.1 | | |
| 1028 | T | 39.9 | Very low | 38.4 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | | | cis | -164.3 | 150.8 | 38 | -28.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 1029 | T | 40.4 | Very low | 38.7 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | | | trans | 46.4 | 131.3 | 152.6 | 43.8 | 0 | 0 | 0 | 0 | 121.6 | | |
| 1030 | V | 37.3 | Very low | 38.9 | Very low | 132 Ų | 132 | 133.8 Ų | 133.8 | 80% | 0.8 | 77% | 0.769 | S | S | * | * | | | cis | 84.9 | 109.4 | 30.2 | -177.9 | 0 | 0 | 0 | 0 | 116.3 | | |
| 1031 | S | 39.9 | Very low | 39 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | trans | 170.1 | 162 | 143.7 | -78.6 | 0 | 0 | 0 | 0 | 111 | | |
| 1032 | N | 38.4 | Very low | 39 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | | | cis | -168.6 | 165.8 | -42.8 | -162.5 | 9.6 | 0 | 0 | 0 | 108.8 | | |
| 1033 | S | 38.7 | Very low | 39.6 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | trans | 95.3 | 157.6 | 168 | -37.6 | 0 | 0 | 0 | 0 | 119.3 | | |
| 1034 | T | 37.9 | Very low | 40 | Very low | 121 Ų | 121 | 133.1 Ų | 133.1 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | | | | -178.9 | 135.8 | -59.9 | -89.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1035 | V | 39.3 | Very low | 39.9 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | 65.4 | 154.4 | 172.4 | -109.3 | 0 | 0 | 0 | 0 | 124.9 | | |
| 1036 | N | 41.8 | Very low | 40.2 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | trans | 77.1 | 127.3 | 161.4 | -62.8 | -5 | 0 | 0 | 0 | 118.6 | | |
| 1037 | L | 37.7 | Very low | 40.3 | Very low | 154 Ų | 154 | 129.4 Ų | 129.4 | 81% | 0.806 | 76% | 0.763 | S | S | * | * | | | cis | 123 | 99.6 | -4.6 | -174.9 | 83.4 | 0 | 0 | 0 | 113 | | |
| 1038 | E | 45.3 | Very low | 40.7 | Very low | 185 Ų | 185 | 131.2 Ų | 131.2 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -170.9 | 122.9 | 149.9 | -103 | 160.6 | -159.3 | 0 | 0 | 105.2 | | |
| 1039 | T | 42.1 | Very low | 40.5 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | | | | 67 | 123.1 | 71 | -46.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1040 | E | 41 | Very low | 40.6 | Very low | 169 Ų | 169 | 136.8 Ų | 136.8 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | | | cis | -117.4 | -137.2 | 2.8 | -151.7 | -156.9 | 54.8 | 0 | 0 | 110 | | |
| 1041 | S | 40.5 | Very low | 40.3 | Very low | 93 Ų | 93 | 135.9 Ų | 135.9 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | | | cis | -146.4 | 173.6 | 1.6 | -85.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 1042 | T | 39.4 | Very low | 40.1 | Very low | 120 Ų | 120 | 136.8 Ų | 136.8 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | -150.7 | 164.9 | 167.6 | -29.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 1043 | P | 47.6 | Very low | 39.7 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | | | | -150.6 | -166.3 | 100 | 46.6 | -28.4 | 0 | 0 | 0 | 112 | | |
| 1044 | P | 44.8 | Very low | 39.6 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | | -126.9 | 169.9 | -96.4 | 34.3 | -14 | 0 | 0 | 0 | 115.1 | | |
| 1045 | N | 36.1 | Very low | 39.4 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | -99.5 | 145.6 | 162.8 | -177.1 | 37 | 0 | 0 | 0 | 109.8 | | |
| 1046 | A | 41.8 | Very low | 39.4 | Very low | 92 Ų | 92 | 140 Ų | 140 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | trans | -140.5 | 146.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 1047 | T | 38.6 | Very low | 39.1 | Very low | 120 Ų | 120 | 138.6 Ų | 138.6 | 74% | 0.736 | 80% | 0.795 | S | S | * | * | | | trans | -151.9 | 123.8 | -176.9 | -54.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 1048 | E | 47.2 | Very low | 39.6 | Very low | 197 Ų | 197 | 137 Ų | 137 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | | | trans | -134.1 | 136 | 168.5 | -69.1 | -165.8 | 146 | 0 | 0 | 109.7 | | |
| 1049 | E | 35 | Very low | 39.4 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -84 | 158.4 | 165 | -59.3 | 176.8 | 104.2 | 0 | 0 | 109.6 | | |
| 1050 | I | 41.9 | Very low | 39.3 | Very low | 169 Ų | 169 | 136 Ų | 136 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | | | trans | -163.2 | 143.7 | 132.8 | -104.6 | 152.2 | 0 | 0 | 0 | 109.9 | | |
| 1051 | T | 32.5 | Very low | 39.2 | Very low | 113 Ų | 113 | 133.3 Ų | 133.3 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | | | trans | -107.9 | 134.5 | -172.5 | -41.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1052 | V | 35.5 | Very low | 39.2 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | | | trans | -137.9 | 143.4 | 155 | -176 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1053 | S | 29.7 | Very low | 39.2 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | trans | -129.2 | 141.9 | -179.2 | -51.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1054 | T | 36.6 | Very low | 38.9 | Very low | 149 Ų | 149 | 134.3 Ų | 134.3 | 91% | 0.914 | 81% | 0.806 | S | S | * | * | | | trans | -138.2 | 143.3 | 160.8 | 41.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1055 | S | 33.7 | Very low | 38.6 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | | | trans | -128.9 | 148.1 | -170.6 | 55.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1056 | E | 38.2 | Very low | 38.7 | Very low | 204 Ų | 204 | 132.7 Ų | 132.7 | 95% | 0.953 | 81% | 0.805 | S | S | * | * | | | trans | -152.6 | 170 | 154.4 | -120.6 | 157.1 | -147.4 | 0 | 0 | 111.9 | | |
| 1057 | S | 36.8 | Very low | 38.6 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | | | trans | -134.5 | 156.8 | -147.2 | -172.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 1058 | P | 47.6 | Very low | 38.6 | Very low | 119 Ų | 119 | 133.7 Ų | 133.7 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -109 | 169.4 | -167.7 | 41 | -35.8 | 0 | 0 | 0 | 116.8 | | |
| 1059 | E | 41.4 | Very low | 38.5 | Very low | 194 Ų | 194 | 129.4 Ų | 129.4 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | | | trans | -142.7 | 156.4 | 170 | -71.6 | -169.5 | 166.4 | 0 | 0 | 108.8 | | |
| 1060 | A | 40.2 | Very low | 38.8 | Very low | 95 Ų | 95 | 127.8 Ų | 127.8 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | cis | -160.3 | -176.8 | -17.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 1061 | S | 38.3 | Very low | 38.7 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | | | trans | -63.1 | 176.3 | -171.9 | -45.3 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1062 | T | 40.2 | Very low | 38.9 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | cis | -151.9 | 154.3 | 34 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1063 | S | 39.2 | Very low | 39.2 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | | 57.1 | 138.4 | 62.3 | -154.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1064 | S | 41.1 | Very low | 39.7 | Very low | 121 Ų | 121 | 127 Ų | 127 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | | | cis | -143 | -172.7 | 9.2 | -59.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1065 | G | 39.5 | Very low | 39.8 | Very low | 64 Ų | 64 | 124.3 Ų | 124.3 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | | | cis | 151.3 | 158.7 | -7.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1066 | L | 38.5 | Very low | 40.1 | Very low | 168 Ų | 168 | 125.3 Ų | 125.3 | 88% | 0.88 | 78% | 0.778 | S | S | * | * | | | trans | 68.6 | 157.4 | 169.4 | -85.9 | 64.4 | 0 | 0 | 0 | 119.6 | | |
| 1067 | T | 39.3 | Very low | 40.2 | Very low | 110 Ų | 110 | 119.8 Ų | 119.8 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | | | cis | -166 | 131.1 | -40.5 | 21 | 0 | 0 | 0 | 0 | 112 | | |
| 1068 | T | 37.7 | Very low | 40.2 | Very low | 123 Ų | 123 | 119.8 Ų | 119.8 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | 11 | 167.8 | 133.6 | 52.1 | 0 | 0 | 0 | 0 | 123.7 | | |
| 1069 | P | 45.5 | Very low | 39.6 | Very low | 107 Ų | 107 | 118.4 Ų | 118.4 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | | | cis | -148.5 | -164.9 | -38.1 | 44.3 | -25.3 | 0 | 0 | 0 | 115.5 | | |
| 1070 | V | 40.8 | Very low | 39.4 | Very low | 141 Ų | 141 | 120 Ų | 120 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | | | trans | 73.7 | 143.9 | 154.3 | 164.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 1071 | A | 39.5 | Very low | 39.3 | Very low | 84 Ų | 84 | 120.5 Ų | 120.5 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | | | cis | -145.2 | -172.9 | 14.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 1072 | T | 37 | Very low | 39 | Very low | 127 Ų | 127 | 120 Ų | 120 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | | | trans | -32.7 | 163.3 | 168 | 50.7 | 0 | 0 | 0 | 0 | 118.6 | | |
| 1073 | T | 41.3 | Very low | 39.2 | Very low | 119 Ų | 119 | 119.6 Ų | 119.6 | 73% | 0.73 | 75% | 0.754 | S | S | * | * | | | | -166.1 | 178.3 | 50.7 | -33.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1074 | E | 40.9 | Very low | 39.1 | Very low | 176 Ų | 176 | 122.8 Ų | 122.8 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | -46.5 | 168.5 | 178.2 | -49.1 | 163.2 | 134.1 | 0 | 0 | 115.9 | | |
| 1075 | S | 39.7 | Very low | 38.7 | Very low | 92 Ų | 92 | 125.4 Ų | 125.4 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | | | cis | -172.3 | 157.8 | 29.7 | -153.2 | 0 | 0 | 0 | 0 | 116.2 | | |
| 1076 | T | 39.7 | Very low | 38.5 | Very low | 131 Ų | 131 | 129.1 Ų | 129.1 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | 60.6 | 148.1 | 148.7 | 45.8 | 0 | 0 | 0 | 0 | 125.3 | | |
| 1077 | A | 39.6 | Very low | 38.2 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | trans | 73.8 | 118.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 1078 | S | 36.9 | Very low | 38.2 | Very low | 112 Ų | 112 | 127.1 Ų | 127.1 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | | 77.2 | 136.1 | 60.8 | -64.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1079 | S | 35.7 | Very low | 37.9 | Very low | 90 Ų | 90 | 128 Ų | 128 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | | | cis | -174.1 | 137.9 | -2.2 | -103.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 1080 | Y | 36.9 | Very low | 37.5 | Very low | 228 Ų | 228 | 130.1 Ų | 130.1 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | | | trans | 61.6 | 163.4 | 160.4 | -72.1 | -115.4 | 0 | 0 | 0 | 116.1 | | |
| 1081 | S | 37.4 | Very low | 37.1 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | cis | -153.9 | 150.9 | -24.4 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1082 | S | 33 | Very low | 37 | Very low | 102 Ų | 102 | 131.9 Ų | 131.9 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | | | trans | -75.7 | -176.6 | 168.4 | -40.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 1083 | P | 43.7 | Very low | 36.8 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | cis | -128.1 | -171.6 | -49.4 | 33.5 | -16.2 | 0 | 0 | 0 | 111.2 | | |
| 1084 | I | 36.5 | Very low | 36.7 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | | | trans | -158.8 | 154.1 | 147.2 | -111 | 158.3 | 0 | 0 | 0 | 110.8 | | |
| 1085 | E | 33.2 | Very low | 36.4 | Very low | 176 Ų | 176 | 132.5 Ų | 132.5 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -78.4 | 154 | -171 | -50.2 | 164.1 | 140 | 0 | 0 | 113.8 | | |
| 1086 | T | 35.9 | Very low | 36.2 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | | | trans | -155.2 | 132 | 135.9 | -54 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1087 | S | 32.7 | Very low | 36.2 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | trans | -87.5 | 148.7 | 178.6 | 176.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1088 | T | 37.8 | Very low | 36.2 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | | | trans | -169.7 | 156.7 | 136.6 | 11.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1089 | L | 33.3 | Very low | 36.3 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | | | trans | -72.7 | 151.3 | -174.6 | -66.1 | 62.4 | 0 | 0 | 0 | 113.4 | | |
| 1090 | T | 37 | Very low | 36.5 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | | | | -166.9 | 145.1 | 113.2 | 10.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1091 | T | 31.9 | Very low | 36.4 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | | | trans | -82.6 | 147.9 | -178.3 | -41.1 | 0 | 0 | 0 | 0 | 113 | | |
| 1092 | T | 37.7 | Very low | 36.4 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | -162.7 | 139.3 | 144.1 | -74.8 | 0 | 0 | 0 | 0 | 111 | | |
| 1093 | T | 32.5 | Very low | 36.6 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 69% | 0.693 | 79% | 0.79 | S | S | * | * | | | trans | -87.8 | 160.1 | -176.3 | -31.5 | 0 | 0 | 0 | 0 | 113 | | |
| 1094 | I | 38.2 | Very low | 36.4 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | | | | 178.5 | 128.4 | 127.7 | -90.3 | 153.1 | 0 | 0 | 0 | 113.3 | | |
| 1095 | Q | 35.4 | Very low | 37 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | 0.3 | 140.9 | 155.5 | -52.4 | 164.6 | -65.5 | 0 | 0 | 121.3 | | |
| 1096 | S | 35 | Very low | 37.1 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | | 176.9 | 117.5 | 93.2 | -158.4 | 0 | 0 | 0 | 0 | 117.5 | | |
| 1097 | S | 39 | Very low | 37.2 | Very low | 90 Ų | 90 | 137.1 Ų | 137.1 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | | | trans | 58.1 | 116.6 | 134.1 | 67.8 | 0 | 0 | 0 | 0 | 126 | | |
| 1098 | L | 39.9 | Very low | 37.3 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | | | | 83.2 | 155.5 | 128.2 | -87 | 71.7 | 0 | 0 | 0 | 121.7 | | |
| 1099 | P | 40.3 | Very low | 37.2 | Very low | 115 Ų | 115 | 137 Ų | 137 | 75% | 0.747 | 80% | 0.796 | S | S | * | * | | | trans | -141.2 | -178.7 | -135.1 | 45.1 | -26.4 | 0 | 0 | 0 | 117.9 | | |
| 1100 | M | 38.4 | Very low | 37.3 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | | | trans | -170.8 | 117.1 | 147.2 | -102 | 167.9 | 73.5 | 0 | 0 | 108.9 | | |
| 1101 | S | 36.6 | Very low | 37.3 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 79% | 0.788 | S | S | * | * | | | | 63.7 | 82.2 | 88.8 | -167.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 1102 | T | 36.4 | Very low | 37.5 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 73% | 0.73 | 79% | 0.792 | S | S | * | * | | | | 76 | 123.2 | 77.8 | 59.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 1103 | N | 37.7 | Very low | 37.4 | Very low | 164 Ų | 164 | 136.8 Ų | 136.8 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | | | trans | 178.8 | 105.7 | 140.2 | -94.9 | -16.1 | 0 | 0 | 0 | 112.3 | | |
| 1104 | E | 38.9 | Very low | 37.6 | Very low | 192 Ų | 192 | 139.6 Ų | 139.6 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | trans | -138 | 145 | 151.1 | -87.7 | -156.1 | 145.3 | 0 | 0 | 108.8 | | |
| 1105 | P | 49.2 | Very low | 37.5 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | | | trans | -94.8 | 126 | -178.3 | 34.6 | -31 | 0 | 0 | 0 | 112.8 | | |
| 1106 | S | 35.1 | Very low | 37.4 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -80.7 | 155.3 | 157.3 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1107 | L | 38.4 | Very low | 37.5 | Very low | 177 Ų | 177 | 138.9 Ų | 138.9 | 93% | 0.927 | 80% | 0.798 | S | S | * | * | | | trans | -131.9 | 134.4 | 171.2 | -105.6 | 169.5 | 0 | 0 | 0 | 110 | | |
| 1108 | S | 34.8 | Very low | 37.3 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 80% | 0.798 | S | S | * | * | | | trans | -79.6 | 146 | -165.4 | -178.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1109 | T | 34.9 | Very low | 37.2 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | | | trans | -83.4 | 102.7 | 160 | 46.8 | 0 | 0 | 0 | 0 | 109.8 | S1111 | T1109-S1111 PolarHBondContact O-N 3.49Š|
| 1110 | T | 36.4 | Very low | 36.9 | Very low | 111 Ų | 111 | 136.5 Ų | 136.5 | 68% | 0.681 | 80% | 0.802 | S | S | * | * | | | trans | -83.8 | 109.7 | 170.9 | -52.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1111 | S | 35.7 | Very low | 36.9 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | trans | -66.4 | 136.7 | 161.7 | -63.1 | 0 | 0 | 0 | 0 | 109.7 | T1109 | T1109-S1111 PolarHBondContact O-N 3.49Š|
| 1112 | M | 37.4 | Very low | 36.9 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 85% | 0.847 | 81% | 0.813 | S | S | * | * | | | trans | -128.1 | 130.5 | 160.7 | -90.1 | -174.5 | -74.6 | 0 | 0 | 109.1 | | |
| 1113 | E | 35.8 | Very low | 36.8 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | | | trans | -75.3 | 145.6 | -177.2 | -166 | -179.6 | 139.8 | 0 | 0 | 110.9 | Q1115 | E1113-Q1115 HydrophobicContact CG-CG 4.33Å; E1113-Q1115 VanDerWaalsContact OE1-CG 3.25Å; E1113-Q1115 WeakPolarHBondContact OE1-CG 3.47Å; E1113-Q1115 PolarHBondContact OE1-NE2 3.36Å |
| 1114 | L | 37.1 | Very low | 36.8 | Very low | 173 Ų | 173 | 142 Ų | 142 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | | | trans | -118.4 | 88.5 | 173.3 | -77.9 | 174.4 | 0 | 0 | 0 | 109.3 | | |
| 1115 | Q | 35 | Very low | 36.4 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 76% | 0.757 | 81% | 0.806 | S | S | * | * | | | trans | -74.4 | 144.3 | 166.4 | -65.2 | -168.5 | 1.2 | 0 | 0 | 110.6 | E1113 | E1113-Q1115 HydrophobicContact CG-CG 4.33Å; E1113-Q1115 VanDerWaalsContact OE1-CG 3.25Å; E1113-Q1115 WeakPolarHBondContact OE1-CG 3.47Å; E1113-Q1115 PolarHBondContact OE1-NE2 3.36Å |
| 1116 | S | 33.7 | Very low | 35.7 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | | | trans | -92 | 124.2 | -175.6 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 1117 | V | 37.6 | Very low | 35.8 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | | | trans | -128.6 | 115.6 | 158 | -177.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 1118 | G | 34.8 | Very low | 35.7 | Very low | 62 Ų | 62 | 135 Ų | 135 | 64% | 0.639 | 79% | 0.794 | S | S | * | * | | | trans | -89 | 156.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 1119 | T | 38 | Very low | 35.7 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -156.2 | 127.8 | 156.7 | -9.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 1120 | S | 32.3 | Very low | 35.7 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | -81.7 | 140.4 | 174.8 | -54 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1121 | E | 38.4 | Very low | 35.8 | Very low | 192 Ų | 192 | 138.5 Ų | 138.5 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | | | trans | -155.5 | 174.1 | 148.3 | -127.8 | 179.3 | -144 | 0 | 0 | 113.9 | | |
| 1122 | L | 37.5 | Very low | 35.9 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | -86.3 | 154.7 | -153.2 | -105.1 | 68.5 | 0 | 0 | 0 | 115.9 | N1124 | L1122-N1124 PolarHBondContact O-N 2.97Š|
| 1123 | I | 33.9 | Very low | 35.9 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | | | trans | -64.3 | 125.6 | 160.9 | -57.4 | 163.9 | 0 | 0 | 0 | 108.9 | | |
| 1124 | N | 37.8 | Very low | 36.4 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | | | trans | -149 | 145.8 | 151.5 | -135 | -22.5 | 0 | 0 | 0 | 112.4 | L1122 | L1122-N1124 PolarHBondContact O-N 2.97Š|
| 1125 | S | 29.9 | Very low | 36.4 | Very low | 103 Ų | 103 | 137.8 Ų | 137.8 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | | | trans | -104.1 | 131.1 | -172.2 | -65.2 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1126 | T | 35.5 | Very low | 36.9 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | | | trans | -134.9 | 129.4 | 167.3 | -45.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1127 | T | 37.8 | Very low | 37.2 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | | | trans | -107.5 | 157.9 | 177.9 | -62.3 | 0 | 0 | 0 | 0 | 110 | | |
| 1128 | S | 35.8 | Very low | 37.4 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | | | trans | 93.4 | 150.2 | 174.9 | -39.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 1129 | Q | 34.8 | Very low | 37.6 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | cis | -158 | 158.3 | 6.4 | -142.3 | 161.5 | 47.7 | 0 | 0 | 112.7 | | |
| 1130 | S | 34.7 | Very low | 37.5 | Very low | 100 Ų | 100 | 142 Ų | 142 | 70% | 0.699 | 82% | 0.819 | S | S | * | * | | | trans | 61.6 | 144.8 | 159.5 | 64 | 0 | 0 | 0 | 0 | 117.7 | | |
| 1131 | N | 39 | Very low | 37.8 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | | | cis | -160.9 | 164.6 | 46.5 | -133.6 | -21.1 | 0 | 0 | 0 | 114.6 | | |
| 1132 | M | 36.5 | Very low | 37.7 | Very low | 174 Ų | 174 | 135.3 Ų | 135.3 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | | | trans | 58.6 | 106.6 | 164.7 | -54.9 | -139.8 | -56 | 0 | 0 | 121.2 | | |
| 1133 | S | 39.4 | Very low | 37.7 | Very low | 130 Ų | 130 | 136.4 Ų | 136.4 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | | -156 | 151.7 | 128.1 | -167.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 1134 | S | 44.6 | Very low | 38 | Very low | 114 Ų | 114 | 133.9 Ų | 133.9 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | trans | -104.1 | 155.6 | -161.6 | 56 | 0 | 0 | 0 | 0 | 116.5 | | |
| 1135 | E | 38.5 | Very low | 38.2 | Very low | 180 Ų | 180 | 132 Ų | 132 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | | | trans | -41.9 | 174.7 | 162.9 | -80.4 | -171 | 138.6 | 0 | 0 | 117.1 | | |
| 1136 | P | 44.2 | Very low | 38.8 | Very low | 111 Ų | 111 | 134 Ų | 134 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | cis | -137.5 | 177 | 17.1 | 41 | -23 | 0 | 0 | 0 | 118 | | |
| 1137 | T | 39.6 | Very low | 39 | Very low | 141 Ų | 141 | 134 Ų | 134 | 87% | 0.865 | 78% | 0.781 | S | S | * | * | | | trans | -147.3 | 148.7 | 150.7 | -60.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 1138 | T | 42.5 | Very low | 39.2 | Very low | 136 Ų | 136 | 134.5 Ų | 134.5 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | -85.4 | 158.2 | -158.8 | 32.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 1139 | T | 39.2 | Very low | 39.5 | Very low | 145 Ų | 145 | 137.6 Ų | 137.6 | 89% | 0.89 | 78% | 0.783 | S | S | * | * | | | trans | -68.7 | 152.1 | -178.1 | -45 | 0 | 0 | 0 | 0 | 114.4 | | |
| 1140 | L | 36.5 | Very low | 39.8 | Very low | 176 Ų | 176 | 133 Ų | 133 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | | | trans | -104.3 | 143.7 | 174.3 | -104.9 | 168.7 | 0 | 0 | 0 | 113 | | |
| 1141 | G | 38.9 | Very low | 40.1 | Very low | 66 Ų | 66 | 134.5 Ų | 134.5 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | trans | 169.5 | 149.1 | 166 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 1142 | S | 34.9 | Very low | 40.1 | Very low | 105 Ų | 105 | 130.3 Ų | 130.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | cis | -168.2 | 174.9 | -9.9 | 41 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1143 | E | 38.1 | Very low | 40.3 | Very low | 189 Ų | 189 | 128.1 Ų | 128.1 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | 68.8 | 155.5 | 175.6 | -46.1 | -178.5 | 125.2 | 0 | 0 | 113.8 | | |
| 1144 | S | 39.4 | Very low | 40.4 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | cis | -164.1 | 172.2 | -20.5 | 52.4 | 0 | 0 | 0 | 0 | 107.2 | | |
| 1145 | T | 42.3 | Very low | 40.1 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 71% | 0.712 | 76% | 0.764 | S | S | * | * | | | cis | -157.9 | -177 | 9.3 | -16.8 | 0 | 0 | 0 | 0 | 111 | | |
| 1146 | E | 41.9 | Very low | 40 | Very low | 144 Ų | 144 | 126.5 Ų | 126.5 | 67% | 0.673 | 76% | 0.76 | S | S | * | * | | | trans | -3.9 | 153.1 | 144.3 | -69 | -170.1 | 165.3 | 0 | 0 | 120.6 | | |
| 1147 | K | 40.9 | Very low | 39.7 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | | | cis | -174.7 | 174.9 | 12.3 | -116 | 173.1 | -173 | 145.7 | 0 | 109.2 | | |
| 1148 | E | 42.5 | Very low | 39.4 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 62% | 0.621 | 76% | 0.757 | S | S | * | * | | | cis | -164.7 | 166.1 | -15.5 | -149.3 | 178.9 | 98 | 0 | 0 | 109.4 | | |
| 1149 | L | 42.4 | Very low | 39.2 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | | | trans | 63.7 | 145.4 | 165.8 | -52.9 | 171.1 | 0 | 0 | 0 | 117.5 | | |
| 1150 | G | 39.9 | Very low | 39.2 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | | | cis | 178.7 | 179.5 | -3 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1151 | S | 41 | Very low | 39.1 | Very low | 130 Ų | 130 | 126 Ų | 126 | 91% | 0.909 | 75% | 0.746 | S | S | * | * | | | cis | -166 | 158.2 | -2.1 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 1152 | G | 39.5 | Very low | 39 | Very low | 61 Ų | 61 | 128.2 Ų | 128.2 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | | | trans | 112.7 | 98.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 1153 | T | 40.5 | Very low | 38.9 | Very low | 127 Ų | 127 | 128.7 Ų | 128.7 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | | 69.7 | 121.2 | 65.7 | -49.7 | 0 | 0 | 0 | 0 | 111.4 | | |
| 1154 | S | 40.7 | Very low | 38.5 | Very low | 85 Ų | 85 | 126.3 Ų | 126.3 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | | | cis | -145.7 | 141.4 | 30.2 | -120.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1155 | M | 39.2 | Very low | 38.1 | Very low | 160 Ų | 160 | 127.2 Ų | 127.2 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | | | | 62.4 | 138.9 | 101.7 | -60.4 | -173.6 | -158 | 0 | 0 | 116.1 | | |
| 1156 | L | 36.2 | Very low | 37.6 | Very low | 145 Ų | 145 | 127.9 Ų | 127.9 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | cis | -168.7 | 167.4 | -8.5 | -138.9 | 65.5 | 0 | 0 | 0 | 105.8 | | |
| 1157 | I | 38.4 | Very low | 37.3 | Very low | 140 Ų | 140 | 127.5 Ų | 127.5 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | | | cis | -138.5 | 119.1 | 6 | -54.7 | 170.6 | 0 | 0 | 0 | 104.5 | | |
| 1158 | Q | 32.1 | Very low | 37.1 | Very low | 172 Ų | 172 | 125 Ų | 125 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | | 66.4 | 126.3 | 82.2 | -156.3 | 172.8 | -2.3 | 0 | 0 | 116.6 | | |
| 1159 | P | 39.9 | Very low | 37 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | | | trans | -110.6 | 167.8 | -174.5 | 41.6 | -35.5 | 0 | 0 | 0 | 115.1 | | |
| 1160 | T | 37.5 | Very low | 36.8 | Very low | 143 Ų | 143 | 124.2 Ų | 124.2 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | | | trans | -157.8 | 132.9 | 162.8 | 19.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1161 | T | 35.9 | Very low | 37 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -81.2 | 174.7 | 148 | 49.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 1162 | P | 36.9 | Very low | 37.1 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | | | cis | -139.3 | -146.6 | 12.2 | 44.3 | -23.7 | 0 | 0 | 0 | 113.5 | | |
| 1163 | S | 32.6 | Very low | 37.3 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | | | trans | 93.7 | 157.3 | 154.7 | 78.6 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1164 | V | 28.5 | Very low | 37.6 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | | | trans | -119.3 | 136.9 | -169.5 | 172.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 1165 | S | 32 | Very low | 37.6 | Very low | 122 Ų | 122 | 132.4 Ų | 132.4 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | | | trans | -156 | 129.6 | 164.9 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | | |
| 1166 | T | 30.9 | Very low | 37.9 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | | | trans | -94.8 | 152.3 | 175.4 | 47.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1167 | T | 36.1 | Very low | 38.1 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | | | trans | 171.1 | 143.7 | 154.3 | -94.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 1168 | S | 37.3 | Very low | 38.2 | Very low | 92 Ų | 92 | 127 Ų | 127 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | | | cis | -169 | 177.1 | -18.8 | -88 | 0 | 0 | 0 | 0 | 109.8 | | |
| 1169 | Q | 38.6 | Very low | 38.3 | Very low | 191 Ų | 191 | 123.8 Ų | 123.8 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | | | trans | 84.5 | 132.2 | 161.5 | -57.9 | -177.9 | -0.9 | 0 | 0 | 117.4 | | |
| 1170 | S | 39.3 | Very low | 38.2 | Very low | 89 Ų | 89 | 125.2 Ų | 125.2 | 62% | 0.622 | 76% | 0.758 | S | S | * | * | | | cis | -166.5 | 157.1 | -10.5 | 58.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 1171 | N | 43.2 | Very low | 38.2 | Very low | 145 Ų | 145 | 125.6 Ų | 125.6 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | | | trans | 71.3 | 129 | 150.2 | -69.2 | 2.6 | 0 | 0 | 0 | 118.2 | | |
| 1172 | V | 43.6 | Very low | 38.1 | Very low | 130 Ų | 130 | 125 Ų | 125 | 79% | 0.788 | 75% | 0.751 | S | S | * | * | | | cis | -158.6 | 176 | -7.5 | -133.7 | 0 | 0 | 0 | 0 | 106.8 | | |
| 1173 | S | 43.6 | Very low | 38.1 | Very low | 93 Ų | 93 | 122.6 Ų | 122.6 | 65% | 0.65 | 75% | 0.746 | S | S | * | * | | | cis | -160.5 | 166.1 | 3 | -159.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 1174 | S | 46.8 | Very low | 38.2 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | | | trans | 16.7 | 145.2 | 144.7 | 61.1 | 0 | 0 | 0 | 0 | 124.2 | | |
| 1175 | E | 41 | Very low | 38.5 | Very low | 187 Ų | 187 | 123.4 Ų | 123.4 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | | | cis | -165 | 171.9 | -11.8 | -103.3 | -150 | 125.2 | 0 | 0 | 110.3 | | |
| 1176 | P | 46.6 | Very low | 38.7 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | | | trans | -132.2 | -127.1 | -143.5 | 45.9 | -29.7 | 0 | 0 | 0 | 116.2 | | |
| 1177 | T | 40.5 | Very low | 38.9 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | | | trans | 101.5 | 101.5 | 152.3 | 9.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1178 | T | 38.8 | Very low | 38.9 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 75% | 0.748 | 72% | 0.723 | S | S | * | * | | | | 72.6 | 157.3 | 124.3 | 55.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 1179 | T | 35.4 | Very low | 38.9 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 64% | 0.644 | 73% | 0.733 | S | S | * | * | | | cis | 179.5 | 143.1 | -5.8 | -97.8 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1180 | L | 38 | Very low | 38.8 | Very low | 145 Ų | 145 | 124 Ų | 124 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | | | trans | 56.5 | 175.1 | 160.8 | -61.2 | 167.8 | 0 | 0 | 0 | 117.3 | | |
| 1181 | E | 37.6 | Very low | 38.6 | Very low | 150 Ų | 150 | 126 Ų | 126 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | | | cis | -157.9 | 146.9 | -15.7 | -129.5 | 164.2 | -175.8 | 0 | 0 | 112.7 | | |
| 1182 | S | 33.5 | Very low | 38.3 | Very low | 117 Ų | 117 | 122.3 Ų | 122.3 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | | | trans | 56.8 | 164.5 | 142.8 | 81.9 | 0 | 0 | 0 | 0 | 123.7 | | |
| 1183 | G | 36.7 | Very low | 37.9 | Very low | 62 Ų | 62 | 121.3 Ų | 121.3 | 64% | 0.639 | 74% | 0.741 | S | S | * | * | | | trans | 94.4 | 90.4 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 1184 | L | 34.1 | Very low | 37.5 | Very low | 161 Ų | 161 | 121.6 Ų | 121.6 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | | | | 81.7 | 126.7 | 66.9 | -72.1 | 171.7 | 0 | 0 | 0 | 116.6 | | |
| 1185 | T | 35.3 | Very low | 36.8 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | | | trans | 70.5 | 116.2 | 142.8 | 51.1 | 0 | 0 | 0 | 0 | 122.5 | | |
| 1186 | E | 36.3 | Very low | 36.3 | Very low | 163 Ų | 163 | 121.7 Ų | 121.7 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | | | | 96 | 116.5 | 119 | -80.6 | -164.3 | -161.8 | 0 | 0 | 123.4 | | |
| 1187 | N | 33.7 | Very low | 35.9 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | | | | 89.1 | 130 | 121.9 | -86.6 | -40.6 | 0 | 0 | 0 | 123.6 | | |
| 1188 | K | 37.9 | Very low | 35.6 | Very low | 168 Ų | 168 | 126.8 Ų | 126.8 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | trans | 82.6 | 124.6 | 136.3 | -82.4 | -179.8 | 167.2 | -177.8 | 0 | 121.7 | | |
| 1189 | L | 36.5 | Very low | 35.5 | Very low | 163 Ų | 163 | 126.8 Ų | 126.8 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | 61.5 | 128.1 | 136.3 | -60.9 | 163.9 | 0 | 0 | 0 | 118.1 | | |
| 1190 | G | 36.6 | Very low | 35.8 | Very low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | | | cis | 153.1 | 174.7 | -4 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 1191 | S | 35 | Very low | 35.8 | Very low | 129 Ų | 129 | 127.5 Ų | 127.5 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | | | trans | 59 | 94.8 | 162 | -177.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 1192 | G | 36 | Very low | 36.2 | Very low | 68 Ų | 68 | 125.8 Ų | 125.8 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | | | | 105.1 | 143.5 | 100 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 1193 | A | 36.8 | Very low | 36.3 | Very low | 109 Ų | 109 | 125 Ų | 125 | 90% | 0.901 | 77% | 0.767 | S | S | * | * | | | trans | 65.6 | 158.2 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 1194 | S | 33.5 | Very low | 36.3 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | | | cis | -173.6 | 162.4 | -27.9 | -174.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 1195 | M | 32.3 | Very low | 36.4 | Very low | 177 Ų | 177 | 125.7 Ų | 125.7 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | | | trans | 67.3 | 125.1 | 173.8 | -64.7 | 169.8 | -176.1 | 0 | 0 | 114.8 | | |
| 1196 | S | 32 | Very low | 36.5 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | | 85.9 | 128.1 | 51.8 | -176.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 1197 | I | 37.6 | Very low | 36.5 | Very low | 158 Ų | 158 | 123.4 Ų | 123.4 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | | | trans | -176.9 | 104.6 | 140.5 | -92.2 | 150.9 | 0 | 0 | 0 | 109.6 | | |
| 1198 | Q | 33.7 | Very low | 36.7 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | trans | 37.7 | 126.1 | 130.6 | -169.1 | 175.3 | 2.3 | 0 | 0 | 121.6 | | |
| 1199 | P | 36.4 | Very low | 36.8 | Very low | 123 Ų | 123 | 124 Ų | 124 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | trans | -86.1 | 163.3 | 162.8 | 36.5 | -34.2 | 0 | 0 | 0 | 113 | | |
| 1200 | T | 42.1 | Very low | 37.1 | Very low | 125 Ų | 125 | 123.1 Ų | 123.1 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | | | trans | -138.1 | 128.2 | 175.4 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 1201 | T | 39.3 | Very low | 37.5 | Very low | 140 Ų | 140 | 125.6 Ų | 125.6 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | trans | -93.2 | 160.7 | 173 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 1202 | P | 44.6 | Very low | 37.7 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | | | trans | -138.5 | 100.5 | 156.6 | 34.2 | -16.5 | 0 | 0 | 0 | 115.3 | | |
| 1203 | S | 36.8 | Very low | 37.9 | Very low | 101 Ų | 101 | 127.6 Ų | 127.6 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | | | | 45.3 | 120.4 | 127.5 | 65 | 0 | 0 | 0 | 0 | 124.5 | | |
| 1204 | V | 36.6 | Very low | 38 | Very low | 127 Ų | 127 | 127 Ų | 127 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | | | | 58.2 | 121.7 | 119.2 | -177.8 | 0 | 0 | 0 | 0 | 122.1 | T1206 | V1204-T1206 HydrophobicContact CG1-CG2 4.41Š|
| 1205 | S | 36.1 | Very low | 38.3 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | | 170.4 | 109.4 | 127.2 | 34.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 1206 | T | 37.4 | Very low | 38.7 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 72% | 0.724 | 75% | 0.751 | S | S | * | * | | | | 87.1 | 130.5 | 66.2 | 57.7 | 0 | 0 | 0 | 0 | 117.2 | V1204 | V1204-T1206 HydrophobicContact CG1-CG2 4.41Š|
| 1207 | T | 35.7 | Very low | 38.9 | Very low | 109 Ų | 109 | 132 Ų | 132 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | | | trans | 104.7 | 126.4 | 142.7 | -24.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 1208 | E | 37.7 | Very low | 39 | Very low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | 65.9 | 137.8 | 147.1 | -91.9 | 158.9 | -133.4 | 0 | 0 | 120.7 | | |
| 1209 | T | 40.1 | Very low | 39.1 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | cis | -156.8 | 163.8 | 14.6 | -43.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 1210 | E | 41.9 | Very low | 39.5 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | | | trans | -67 | 177.6 | 165.9 | -125 | -162.5 | -125 | 0 | 0 | 113.8 | T1212 | E1210-T1212 PolarHBondContact OE2-OG1 3.14Š|
| 1211 | P | 44.9 | Very low | 39.2 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | | | cis | -149.4 | 168.8 | 48.2 | 42.7 | -20.6 | 0 | 0 | 0 | 121.4 | | |
| 1212 | T | 39.8 | Very low | 39.4 | Very low | 89 Ų | 89 | 134.2 Ų | 134.2 | 55% | 0.546 | 76% | 0.76 | S | S | . | * | | | trans | -64.7 | 154.9 | 176 | -56.8 | 0 | 0 | 0 | 0 | 118 | E1210 | E1210-T1212 PolarHBondContact OE2-OG1 3.14Š|
| 1213 | V | 41 | Very low | 39.1 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | | | trans | -140.4 | 154 | 150.5 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 1214 | T | 37.6 | Very low | 39.1 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | | | trans | -138.1 | 142.1 | -156.9 | -46.8 | 0 | 0 | 0 | 0 | 114.8 | | |
| 1215 | E | 41.2 | Very low | 39.4 | Very low | 196 Ų | 196 | 134.4 Ų | 134.4 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | | | trans | -138.1 | 116.4 | 145.4 | -70.5 | -165.9 | 142.1 | 0 | 0 | 107.5 | | |
| 1216 | T | 41 | Very low | 39.6 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | | | cis | 89.2 | 85.5 | 48.6 | -56 | 0 | 0 | 0 | 0 | 113 | | |
| 1217 | L | 36 | Very low | 39.7 | Very low | 182 Ų | 182 | 138 Ų | 138 | 95% | 0.953 | 77% | 0.766 | S | S | * | * | | | trans | -99.6 | 133.9 | 154.4 | -80.9 | 169.3 | 0 | 0 | 0 | 108.3 | | |
| 1218 | Q | 40.2 | Very low | 40.1 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | | | trans | -122.4 | 118.8 | -177.7 | -167.9 | 170.5 | -7.1 | 0 | 0 | 110.3 | | |
| 1219 | S | 35 | Very low | 40.2 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -96.3 | 129.7 | 172.4 | 58.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 1220 | E | 45.4 | Very low | 40.2 | Very low | 162 Ų | 162 | 144.9 Ų | 144.9 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | | | trans | -120.9 | 128.6 | 163.4 | -69.3 | -171.6 | 162.3 | 0 | 0 | 109.5 | | |
| 1221 | T | 34.5 | Very low | 40.1 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | trans | -123.2 | 110.1 | 174.5 | -64.2 | 0 | 0 | 0 | 0 | 106.5 | | |
| 1222 | E | 44.3 | Very low | 39.8 | Very low | 194 Ų | 194 | 146.2 Ų | 146.2 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | | | trans | -115.9 | 155.7 | 168.6 | -73 | -145.1 | 129.5 | 0 | 0 | 111.1 | | |
| 1223 | T | 37.8 | Very low | 39.9 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | | | trans | -128.6 | 163 | -158.3 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 1224 | S | 37.5 | Very low | 39.8 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | 74.9 | 145.6 | 172 | -134.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 1225 | S | 42.2 | Very low | 39.9 | Very low | 106 Ų | 106 | 153.4 Ų | 153.4 | 74% | 0.741 | 82% | 0.823 | S | S | * | * | | | cis | -155.2 | 176.9 | 25.9 | 50 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1226 | H | 40.6 | Very low | 39.8 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 76% | 0.764 | 82% | 0.816 | S | S | * | * | | | trans | -20.6 | 155.5 | 161.4 | -74 | -3.7 | 0 | 0 | 0 | 118.3 | | |
| 1227 | N | 39.8 | Very low | 39.7 | Very low | 138 Ų | 138 | 153.7 Ų | 153.7 | 74% | 0.738 | 83% | 0.829 | S | S | * | * | | | cis | -162.5 | 143.7 | 11.5 | -114.8 | -2.5 | 0 | 0 | 0 | 110.1 | | |
| 1228 | E | 43.7 | Very low | 40.1 | Very low | 263 Ų | 263 | 151.1 Ų | 151.1 | 100% | 1.229 | 82% | 0.817 | S | S | * | * | | | | -170.1 | 0 | 108.1 | -165.6 | 162.9 | -130.9 | 0 | 0 | 110.3 | | |