| 1 | M | 59.2 | Low | 79.9 | Confident | 253 Ų | 253 | 94.5 Ų | 94.5 | 100% | 1.246 | 61% | 0.611 | S | S | * | * | | | | 0 | 117.5 | 0 | -71.9 | -171.5 | -86.8 | 0 | 0 | 107.9 | | |
| 2 | G | 59.5 | Low | 80.9 | Confident | 40 Ų | 40 | 94.3 Ų | 94.3 | 41% | 0.412 | 61% | 0.607 | S | S | . | * | | | trans | -180 | -18.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | A5 C6 | G2-A5 PolarHBondContact O-N 3.29Å; G2-C6 WeakPolarHBondContact O-CB 3.49Å; G2-C6 PolarHBondContact O-N 3.38Å |
| 3 | A | 67 | Low | 81.9 | Confident | 83 Ų | 83 | 91.2 Ų | 91.2 | 69% | 0.686 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -52.5 | -46.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | C6 A7 | A3-C6 PolarHBondContact O-N 3.39Å; A3-A7 WeakPolarHBondContact O-CB 3Å; A3-A7 PolarHBondContact O-N 2.99Å |
| 4 | P | 72.9 | Confident | 82.5 | Confident | 93 Ų | 93 | 91.9 Ų | 91.9 | 60% | 0.604 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.2 | -34.4 | 179.7 | 26.8 | -33.9 | 0 | 0 | 0 | 112.7 | A7 L8 | P4-A7 PolarHBondContact O-N 3.02Å; P4-L8 WeakPolarHBondContact O-CG 3.36Å; P4-L8 PolarHBondContact O-N 3.13Å |
| 5 | A | 83.9 | Confident | 83 | Confident | 63 Ų | 63 | 89.7 Ų | 89.7 | 52% | 0.521 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.7 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | G2 L8 A9 | G2-A5 PolarHBondContact O-N 3.29Å; A5-L8 PolarHBondContact O-N 3.14Å; A5-A9 WeakPolarHBondContact O-CB 3.46Å; A5-A9 PolarHBondContact O-N 3.32Å |
| 6 | C | 82.9 | Confident | 83.3 | Confident | 75 Ų | 75 | 91.4 Ų | 91.4 | 51% | 0.507 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.1 | -42.9 | 175.5 | -160.7 | 0 | 0 | 0 | 0 | 111.3 | G2 A3 L8 A9 L10 | G2-C6 WeakPolarHBondContact O-CB 3.49Å; G2-C6 PolarHBondContact O-N 3.38Å; A3-C6 PolarHBondContact O-N 3.39Å; C6-L8 VanDerWaalsContact C-N 3.35Å; C6-L8 PolarHBondContact O-N 3.14Å; C6-A9 PolarHBondContact O-N 3.06Å; C6-L10 WeakPolarHBondContact O-CG 3.16Å; C6-L10 PolarHBondContact O-N 3.26Å |
| 7 | A | 90.1 | Very high | 83.5 | Confident | 57 Ų | 57 | 91.8 Ų | 91.8 | 47% | 0.471 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -61.2 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A3 P4 L10 C11 | A3-A7 WeakPolarHBondContact O-CB 3Å; A3-A7 PolarHBondContact O-N 2.99Å; P4-A7 PolarHBondContact O-N 3.02Å; A7-L10 PolarHBondContact O-N 3.23Å; A7-C11 VanDerWaalsContact O-CB 3.3Å; A7-C11 WeakPolarHBondContact O-CB 3.16Å; A7-C11 PolarHBondContact O-N 2.76Å |
| 8 | L | 89.3 | Confident | 83.4 | Confident | 118 Ų | 118 | 89.4 Ų | 89.4 | 62% | 0.618 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.4 | -43.1 | 175.6 | -71 | 173.9 | 0 | 0 | 0 | 111.9 | P4 A5 C6 L10 C11 V12 | P4-L8 WeakPolarHBondContact O-CG 3.36Å; P4-L8 PolarHBondContact O-N 3.13Å; A5-L8 PolarHBondContact O-N 3.14Å; C6-L8 VanDerWaalsContact C-N 3.35Å; C6-L8 PolarHBondContact O-N 3.14Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.85Å; L8-C11 PolarHBondContact O-N 2.78Å; L8-V12 WeakPolarHBondContact O-CG2 3.44Å; L8-V12 PolarHBondContact O-N 2.77Å |
| 9 | A | 91.6 | Very high | 83.1 | Confident | 61 Ų | 61 | 86.1 Ų | 86.1 | 50% | 0.504 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.6 | -43.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A5 C6 A13 | A5-A9 WeakPolarHBondContact O-CB 3.46Å; A5-A9 PolarHBondContact O-N 3.32Å; C6-A9 PolarHBondContact O-N 3.06Å; A9-A13 WeakPolarHBondContact O-CB 3.49Å; A9-A13 PolarHBondContact O-N 3Å |
| 10 | L | 90.6 | Very high | 82.6 | Confident | 113 Ų | 113 | 84.5 Ų | 84.5 | 59% | 0.592 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.4 | -42.5 | 175.2 | -67.6 | 175 | 0 | 0 | 0 | 111.9 | C6 A7 L8 V12 A13 V14 | C6-L10 WeakPolarHBondContact O-CG 3.16Å; C6-L10 PolarHBondContact O-N 3.26Å; A7-L10 PolarHBondContact O-N 3.23Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 2.85Å; L10-V12 PolarHBondContact O-N 2.99Å; L10-A13 PolarHBondContact O-N 2.82Å; L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.33Å; L10-V14 PolarHBondContact O-N 3.06Å |
| 11 | C | 92 | Very high | 81.9 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 56% | 0.561 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.1 | -45.3 | 178.1 | -168.5 | 0 | 0 | 0 | 0 | 111.7 | A7 L8 V14 A15 | A7-C11 VanDerWaalsContact O-CB 3.3Å; A7-C11 WeakPolarHBondContact O-CB 3.16Å; A7-C11 PolarHBondContact O-N 2.76Å; L8-C11 PolarHBondContact O-N 2.78Å; C11-V14 PolarHBondContact O-N 2.81Å; C11-A15 WeakPolarHBondContact O-CB 3.35Å; C11-A15 PolarHBondContact O-N 3.38Å |
| 12 | V | 91.4 | Very high | 82 | Confident | 92 Ų | 92 | 75.1 Ų | 75.1 | 56% | 0.558 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.5 | -44.9 | 176.8 | 174.3 | 0 | 0 | 0 | 0 | 110.8 | L8 L10 V14 A15 I16 | L8-V12 WeakPolarHBondContact O-CG2 3.44Å; L8-V12 PolarHBondContact O-N 2.77Å; L10-V12 PolarHBondContact O-N 2.99Å; V12-V14 VanDerWaalsContact C-N 3.33Å; V12-V14 PolarHBondContact O-N 3.05Å; V12-A15 PolarHBondContact O-N 3.31Å; V12-I16 HydrophobicContact CG1-CG1 4.4Å; V12-I16 WeakPolarHBondContact O-CG1 3.44Å; V12-I16 PolarHBondContact O-N 3.4Å |
| 13 | A | 93.9 | Very high | 81.9 | Confident | 55 Ų | 55 | 80.4 Ų | 80.4 | 46% | 0.455 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A9 L10 I16 V17 | A9-A13 WeakPolarHBondContact O-CB 3.49Å; A9-A13 PolarHBondContact O-N 3Å; L10-A13 PolarHBondContact O-N 2.82Å; A13-I16 PolarHBondContact O-N 3.09Å; A13-V17 WeakPolarHBondContact O-CG2 3.49Å; A13-V17 PolarHBondContact O-N 3.3Å; A13-V17 VanDerWaalsContact O-N 3.15Å |
| 14 | V | 90.6 | Very high | 81.6 | Confident | 100 Ų | 100 | 81.1 Ų | 81.1 | 61% | 0.606 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65 | -42.4 | 176.7 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | L10 C11 V12 I16 V17 A18 | L10-V14 VanDerWaalsContact O-CG2 3.29Å; L10-V14 WeakPolarHBondContact O-CG2 3.33Å; L10-V14 PolarHBondContact O-N 3.06Å; C11-V14 PolarHBondContact O-N 2.81Å; V12-V14 VanDerWaalsContact C-N 3.33Å; V12-V14 PolarHBondContact O-N 3.05Å; V14-I16 VanDerWaalsContact C-N 3.35Å; V14-I16 PolarHBondContact O-N 2.85Å; V14-V17 PolarHBondContact O-N 3.44Å; V14-A18 VanDerWaalsContact O-CB 3.3Å; V14-A18 WeakPolarHBondContact O-CB 2.92Å; V14-A18 PolarHBondContact O-N 2.91Å |
| 15 | A | 89.8 | Confident | 80.8 | Confident | 59 Ų | 59 | 81 Ų | 81 | 49% | 0.488 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C11 V12 G19 | C11-A15 WeakPolarHBondContact O-CB 3.35Å; C11-A15 PolarHBondContact O-N 3.38Å; V12-A15 PolarHBondContact O-N 3.31Å; A15-G19 PolarHBondContact O-N 3.34Å |
| 16 | I | 88.4 | Confident | 79.5 | Confident | 118 Ų | 118 | 78.7 Ų | 78.7 | 61% | 0.605 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.8 | -42.8 | 177 | -62.4 | -61.7 | 0 | 0 | 0 | 111.4 | V12 A13 V14 G19 A20 | V12-I16 HydrophobicContact CG1-CG1 4.4Å; V12-I16 WeakPolarHBondContact O-CG1 3.44Å; V12-I16 PolarHBondContact O-N 3.4Å; A13-I16 PolarHBondContact O-N 3.09Å; V14-I16 VanDerWaalsContact C-N 3.35Å; V14-I16 PolarHBondContact O-N 2.85Å; I16-G19 PolarHBondContact O-N 3.03Å; I16-A20 WeakPolarHBondContact O-CB 3.38Å; I16-A20 PolarHBondContact O-N 2.88Å |
| 17 | V | 86.6 | Confident | 78.1 | Confident | 97 Ų | 97 | 80.3 Ų | 80.3 | 59% | 0.588 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.6 | -42.2 | 177.9 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | A13 V14 S21 | A13-V17 WeakPolarHBondContact O-CG2 3.49Å; A13-V17 PolarHBondContact O-N 3.3Å; A13-V17 VanDerWaalsContact O-N 3.15Å; V14-V17 PolarHBondContact O-N 3.44Å; V17-S21 WeakPolarHBondContact O-CB 3.33Å; V17-S21 PolarHBondContact O-N 2.83Å; V17-S21 PolarHBondContact O-OG 2.87Å |
| 18 | A | 82.2 | Confident | 76.4 | Confident | 50 Ų | 50 | 84.5 Ų | 84.5 | 41% | 0.413 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.3 | -39.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | V14 S21 S22 | V14-A18 VanDerWaalsContact O-CB 3.3Å; V14-A18 WeakPolarHBondContact O-CB 2.92Å; V14-A18 PolarHBondContact O-N 2.91Å; A18-S21 PolarHBondContact O-N 3.15Å; A18-S22 WeakPolarHBondContact O-CB 3.4Å; A18-S22 PolarHBondContact O-N 3.45Å; A18-S22 PolarHBondContact O-OG 2.94Å |
| 19 | G | 76.9 | Confident | 74.8 | Confident | 26 Ų | 26 | 83.9 Ų | 83.9 | 27% | 0.268 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.3 | -50.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A15 I16 S21 S22 E23 | A15-G19 PolarHBondContact O-N 3.34Å; I16-G19 PolarHBondContact O-N 3.03Å; G19-S21 VanDerWaalsContact C-N 3.28Å; G19-S21 PolarHBondContact O-N 3.44Å; G19-S22 CarbonylContact O-C 3.49Å; G19-S22 WeakPolarHBondContact O-CA 3.34Å; G19-S22 PolarHBondContact O-N 3.01Å; G19-E23 WeakPolarHBondContact O-CB 3.29Å; G19-E23 WeakPolarHBondContact O-CG 3.47Å; G19-E23 PolarHBondContact O-N 3.33Å |
| 20 | A | 74.3 | Confident | 72.9 | Confident | 54 Ų | 54 | 90.2 Ų | 90.2 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -38 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I16 S24 | I16-A20 WeakPolarHBondContact O-CB 3.38Å; I16-A20 PolarHBondContact O-N 2.88Å; A20-S24 WeakPolarHBondContact O-CB 3.32Å; A20-S24 PolarHBondContact O-N 2.96Å |
| 21 | S | 67.3 | Low | 71 | Confident | 71 Ų | 71 | 90.1 Ų | 90.1 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.2 | -38.4 | 174.4 | -57 | 0 | 0 | 0 | 0 | 111.8 | V17 A18 G19 L25 | V17-S21 WeakPolarHBondContact O-CB 3.33Å; V17-S21 PolarHBondContact O-N 2.83Å; V17-S21 PolarHBondContact O-OG 2.87Å; A18-S21 PolarHBondContact O-N 3.15Å; G19-S21 VanDerWaalsContact C-N 3.28Å; G19-S21 PolarHBondContact O-N 3.44Å; S21-L25 WeakPolarHBondContact O-CB 3.3Å; S21-L25 PolarHBondContact O-N 3.41Å |
| 22 | S | 60.3 | Low | 69.1 | Low | 70 Ų | 70 | 90.6 Ų | 90.6 | 49% | 0.49 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -76 | -25.9 | 178.1 | -62.4 | 0 | 0 | 0 | 0 | 113.3 | A18 G19 L25 G26 | A18-S22 WeakPolarHBondContact O-CB 3.4Å; A18-S22 PolarHBondContact O-N 3.45Å; A18-S22 PolarHBondContact O-OG 2.94Å; G19-S22 CarbonylContact O-C 3.49Å; G19-S22 WeakPolarHBondContact O-CA 3.34Å; G19-S22 PolarHBondContact O-N 3.01Å; S22-L25 CarbonylContact O-C 3.41Å; S22-G26 WeakPolarHBondContact O-CA 3.39Å; S22-G26 PolarHBondContact O-N 3.22Å |
| 23 | E | 59 | Low | 67.2 | Low | 151 Ų | 151 | 88.6 Ų | 88.6 | 71% | 0.706 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -75.6 | -40.7 | 171 | -75.4 | 176.4 | 87.8 | 0 | 0 | 110.5 | G19 G26 | G19-E23 WeakPolarHBondContact O-CB 3.29Å; G19-E23 WeakPolarHBondContact O-CG 3.47Å; G19-E23 PolarHBondContact O-N 3.33Å; E23-G26 PolarHBondContact O-N 3.49Å |
| 24 | S | 59.7 | Low | 65.2 | Low | 98 Ų | 98 | 96.8 Ų | 96.8 | 69% | 0.685 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.7 | -36.9 | 172.8 | -173 | 0 | 0 | 0 | 0 | 112.6 | A20 G26 | A20-S24 WeakPolarHBondContact O-CB 3.32Å; A20-S24 PolarHBondContact O-N 2.96Å; S24-G26 VanDerWaalsContact C-N 3.29Å |
| 25 | L | 57.1 | Low | 63.1 | Low | 90 Ų | 90 | 95.8 Ų | 95.8 | 47% | 0.471 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.2 | 6.6 | 172.4 | -159.1 | 76 | 0 | 0 | 0 | 111 | S21 S22 Q29 | S21-L25 WeakPolarHBondContact O-CB 3.3Å; S21-L25 PolarHBondContact O-N 3.41Å; S22-L25 CarbonylContact O-C 3.41Å; L25-Q29 HydrophobicContact CD2-CG 3.98Å; L25-Q29 HydrophobicContact CG-CG 3.95Å; L25-Q29 WeakPolarHBondContact O-CB 3.3Å; L25-Q29 PolarHBondContact O-N 3.39Å |
| 26 | G | 55.1 | Low | 61.3 | Low | 15 Ų | 15 | 96.4 Ų | 96.4 | 16% | 0.155 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -92.2 | -21.8 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S22 E23 S24 E28 R30 | S22-G26 WeakPolarHBondContact O-CA 3.39Å; S22-G26 PolarHBondContact O-N 3.22Å; E23-G26 PolarHBondContact O-N 3.49Å; S24-G26 VanDerWaalsContact C-N 3.29Å; G26-E28 VanDerWaalsContact C-N 3.29Å; G26-R30 WeakPolarHBondContact O-CB 3.34Å; G26-R30 PolarHBondContact O-N 3Å; G26-R30 VanDerWaalsContact O-N 3.14Å |
| 27 | T | 53.9 | Low | 59.6 | Low | 108 Ų | 108 | 98.8 Ų | 98.8 | 66% | 0.663 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.1 | -29.6 | 167.6 | 48.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 28 | E | 54.3 | Low | 57.7 | Low | 146 Ų | 146 | 99.6 Ų | 99.6 | 68% | 0.682 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -95 | -38.5 | -179.7 | -56.3 | -115.5 | 96.9 | 0 | 0 | 112.1 | G26 | G26-E28 VanDerWaalsContact C-N 3.29Å |
| 29 | Q | 55.3 | Low | 56.2 | Low | 105 Ų | 105 | 103.7 Ų | 103.7 | 49% | 0.491 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -84.1 | -21.8 | 177.9 | -78.2 | -161.2 | 102.4 | 0 | 0 | 115.2 | L25 V31 V32 G33 | L25-Q29 HydrophobicContact CD2-CG 3.98Å; L25-Q29 HydrophobicContact CG-CG 3.95Å; L25-Q29 WeakPolarHBondContact O-CB 3.3Å; L25-Q29 PolarHBondContact O-N 3.39Å; Q29-V31 PolarHBondContact O-N 3.25Å; Q29-V32 PolarHBondContact O-N 2.91Å; Q29-G33 PolarHBondContact O-N 2.92Å |
| 30 | R | 53.3 | Low | 55 | Low | 193 Ų | 193 | 105.3 Ų | 105.3 | 73% | 0.728 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.3 | -20.7 | 172.3 | -166.4 | -145.1 | -62.4 | -88.3 | 2.5 | 111.5 | G26 | G26-R30 WeakPolarHBondContact O-CB 3.34Å; G26-R30 PolarHBondContact O-N 3Å; G26-R30 VanDerWaalsContact O-N 3.14Å |
| 31 | V | 50 | Low | 54.2 | Low | 111 Ų | 111 | 107.9 Ų | 107.9 | 67% | 0.673 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73.7 | -35.4 | 171.4 | -177.8 | 0 | 0 | 0 | 0 | 110.9 | Q29 | Q29-V31 PolarHBondContact O-N 3.25Å |
| 32 | V | 50.8 | Low | 53.1 | Low | 94 Ų | 94 | 111.7 Ų | 111.7 | 57% | 0.57 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -85.5 | -38.7 | 179.8 | 173.3 | 0 | 0 | 0 | 0 | 112.9 | Q29 R34 A35 A36 | Q29-V32 PolarHBondContact O-N 2.91Å; V32-R34 VanDerWaalsContact C-N 3.27Å; V32-R34 PolarHBondContact O-N 3.44Å; V32-A35 WeakPolarHBondContact O-CB 3.33Å; V32-A35 PolarHBondContact O-N 3.46Å; V32-A36 PolarHBondContact O-N 2.97Å |
| 33 | G | 53.4 | Low | 53.1 | Low | 50 Ų | 50 | 114.5 Ų | 114.5 | 52% | 0.515 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.2 | -8.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q29 | Q29-G33 PolarHBondContact O-N 2.92Š|
| 34 | R | 50.5 | Low | 52.9 | Low | 226 Ų | 226 | 109 Ų | 109 | 85% | 0.853 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.5 | -6.2 | 166.1 | -84.7 | -86.8 | -174.7 | 130.9 | -1.3 | 112.8 | V32 | V32-R34 VanDerWaalsContact C-N 3.27Å; V32-R34 PolarHBondContact O-N 3.44Å |
| 35 | A | 47.9 | Very low | 52.4 | Low | 79 Ų | 79 | 113 Ų | 113 | 65% | 0.653 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | -13.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | V32 | V32-A35 WeakPolarHBondContact O-CB 3.33Å; V32-A35 PolarHBondContact O-N 3.46Å |
| 36 | A | 51.3 | Low | 52.3 | Low | 72 Ų | 72 | 118.4 Ų | 118.4 | 60% | 0.595 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -101.3 | -2.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | V32 | V32-A36 PolarHBondContact O-N 2.97Š|
| 37 | E | 52.2 | Low | 52.2 | Low | 169 Ų | 169 | 126.6 Ų | 126.6 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -105 | 34.3 | 179.8 | -69.4 | -73.5 | 106.3 | 0 | 0 | 113.2 | | |
| 38 | V | 46.5 | Very low | 52.1 | Low | 114 Ų | 114 | 128.9 Ų | 128.9 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | | | trans | -147.3 | 107.9 | 162.6 | 176.9 | 0 | 0 | 0 | 0 | 109 | G40 | V38-G40 PolarHBondContact O-N 2.95Å; V38-G40 VanDerWaalsContact O-N 3.09Å |
| 39 | P | 51.9 | Low | 51.9 | Low | 135 Ų | 135 | 128.9 Ų | 128.9 | 88% | 0.877 | 71% | 0.707 | S | S | * | * | | | trans | -76.5 | 94.1 | 161.4 | 29.3 | -25 | 0 | 0 | 0 | 107.5 | | |
| 40 | G | 51.8 | Low | 51.5 | Low | 61 Ų | 61 | 129.6 Ų | 129.6 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | | | trans | -134.1 | 80.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V38 | V38-G40 PolarHBondContact O-N 2.95Å; V38-G40 VanDerWaalsContact O-N 3.09Å |
| 41 | P | 57.3 | Low | 51.5 | Low | 108 Ų | 108 | 130.6 Ų | 130.6 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | | | trans | -91.9 | 111.9 | 164.6 | 32.5 | -22.4 | 0 | 0 | 0 | 109.1 | | |
| 42 | E | 43.9 | Very low | 51.7 | Low | 150 Ų | 150 | 128.6 Ų | 128.6 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | | | | -165.5 | 95.1 | 123.7 | -107.3 | -63 | 90.9 | 0 | 0 | 110.9 | G44 | E42-G44 VanDerWaalsContact C-N 3.28Å; E42-G44 PolarHBondContact O-N 3.48Å |
| 43 | P | 59 | Low | 51.8 | Low | 130 Ų | 130 | 130 Ų | 130 | 84% | 0.844 | 74% | 0.743 | S | S | * | * | | | trans | -84.4 | 74.3 | 163.5 | 34.1 | -26.2 | 0 | 0 | 0 | 108.4 | | |
| 44 | G | 56.4 | Low | 52 | Low | 34 Ų | 34 | 131.1 Ų | 131.1 | 35% | 0.351 | 76% | 0.755 | S | S | . | * | | | trans | -145.1 | 7.5 | -167.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | E42 | E42-G44 VanDerWaalsContact C-N 3.28Å; E42-G44 PolarHBondContact O-N 3.48Å |
| 45 | Q | 48.8 | Very low | 52.3 | Low | 183 Ų | 183 | 127.8 Ų | 127.8 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -109.9 | -2.6 | -174.7 | -60.3 | -169.1 | 2.7 | 0 | 0 | 115.4 | | |
| 46 | Q | 54.9 | Low | 52.2 | Low | 203 Ų | 203 | 128.6 Ų | 128.6 | 95% | 0.949 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -91.4 | -7.8 | 175.5 | -71.9 | -171.9 | 75.4 | 0 | 0 | 113.4 | | |
| 47 | E | 52.7 | Low | 52.5 | Low | 188 Ų | 188 | 130.7 Ų | 130.7 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -130.3 | 35.6 | -176.1 | -157.7 | 141.9 | 80.4 | 0 | 0 | 113.1 | | |
| 48 | Q | 52.4 | Low | 52.7 | Low | 155 Ų | 155 | 127.3 Ų | 127.3 | 72% | 0.724 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -116.9 | 112.6 | 153.1 | -88.2 | -166.2 | 31.8 | 0 | 0 | 109.4 | | |
| 49 | L | 49 | Very low | 52.8 | Low | 147 Ų | 147 | 132.6 Ų | 132.6 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | 49.2 | 122.5 | 134.2 | -74.5 | 92.6 | 0 | 0 | 0 | 115.8 | | |
| 50 | V | 48.4 | Very low | 53 | Low | 120 Ų | 120 | 132.5 Ų | 132.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | cis | 168.4 | 156.1 | 20.5 | 61.3 | 0 | 0 | 0 | 0 | 101.7 | G52 | V50-G52 PolarHBondContact O-N 3Š|
| 51 | F | 52.8 | Low | 53.3 | Low | 214 Ų | 214 | 134.3 Ų | 134.3 | 94% | 0.939 | 77% | 0.772 | S | S | * | * | | | trans | -33 | 114.3 | 160.1 | -91.2 | -107.9 | 0 | 0 | 0 | 112.7 | | |
| 52 | G | 52.7 | Low | 52.9 | Low | 69 Ų | 69 | 135.2 Ų | 135.2 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -166.4 | 77.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | V50 | V50-G52 PolarHBondContact O-N 3Š|
| 53 | S | 54.5 | Low | 53.3 | Low | 123 Ų | 123 | 132.6 Ų | 132.6 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | | | trans | 61.7 | 99.4 | 150.6 | -170.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 54 | G | 56.4 | Low | 52.8 | Low | 73 Ų | 73 | 132.2 Ų | 132.2 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | | 42.5 | 120.5 | 128.1 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 55 | D | 57.6 | Low | 52.5 | Low | 157 Ų | 157 | 135.1 Ų | 135.1 | 84% | 0.84 | 80% | 0.8 | S | S | * | * | | | trans | 84 | 103.1 | 156.1 | -149.9 | -87 | 0 | 0 | 0 | 118.1 | | |
| 56 | A | 46.5 | Very low | 53.3 | Low | 96 Ų | 96 | 131.9 Ų | 131.9 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | trans | -162.9 | 84.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 57 | V | 56.1 | Low | 52.7 | Low | 115 Ų | 115 | 132 Ų | 132 | 70% | 0.697 | 80% | 0.796 | S | S | * | * | | | trans | 33.9 | 112.5 | 147.5 | 163 | 0 | 0 | 0 | 0 | 118.5 | R59 | V57-R59 PolarHBondContact O-N 3.45Å; V57-R59 VanDerWaalsContact O-N 3.13Å |
| 58 | A | 56.6 | Low | 52.1 | Low | 99 Ų | 99 | 126.1 Ų | 126.1 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -54 | 112.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 59 | R | 48.1 | Very low | 51.6 | Low | 225 Ų | 225 | 125 Ų | 125 | 85% | 0.849 | 79% | 0.79 | S | S | * | * | | | trans | -104.8 | 90.6 | 174.2 | -167 | 179.8 | 168.4 | 162 | -1.9 | 109.7 | V57 P61 | V57-R59 PolarHBondContact O-N 3.45Å; V57-R59 VanDerWaalsContact O-N 3.13Å; R59-P61 WeakPolarHBondContact O-CD 3.44Å |
| 60 | T | 57.8 | Low | 51.4 | Low | 132 Ų | 132 | 124.2 Ų | 124.2 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | | | trans | -85.6 | 130.4 | 165.3 | -19.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 61 | P | 57.8 | Low | 51.2 | Low | 99 Ų | 99 | 124.1 Ų | 124.1 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | | | trans | -136.8 | 164 | 154.6 | 41.9 | -27.5 | 0 | 0 | 0 | 112.4 | R59 | R59-P61 WeakPolarHBondContact O-CD 3.44Š|
| 62 | P | 48 | Very low | 51.1 | Low | 128 Ų | 128 | 119.3 Ų | 119.3 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | | | | -111.4 | 157.6 | -95.1 | 32.4 | -15.7 | 0 | 0 | 0 | 113.5 | | |
| 63 | A | 52.3 | Low | 50.8 | Low | 94 Ų | 94 | 123.7 Ų | 123.7 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | | | trans | -109 | 136.1 | 158 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 64 | P | 48 | Very low | 50.5 | Low | 122 Ų | 122 | 122.2 Ų | 122.2 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | | | | -151.6 | 146.7 | 67.7 | 34.4 | -11.2 | 0 | 0 | 0 | 116.7 | | |
| 65 | A | 51.3 | Low | 50.5 | Low | 96 Ų | 96 | 124.1 Ų | 124.1 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | | 85 | 172.1 | 104.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 66 | P | 64.7 | Low | 50.1 | Low | 115 Ų | 115 | 123.2 Ų | 123.2 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | | | | -131.9 | 125.4 | -88.9 | 35.1 | -16.8 | 0 | 0 | 0 | 114.6 | | |
| 67 | Q | 43.1 | Very low | 50.2 | Low | 205 Ų | 205 | 124.9 Ų | 124.9 | 96% | 0.958 | 78% | 0.78 | S | S | * | * | | | trans | -153.1 | 123.1 | 170 | -63.9 | -170 | 99.2 | 0 | 0 | 114.2 | | |
| 68 | G | 39.9 | Very low | 49.7 | Very low | 65 Ų | 65 | 124 Ų | 124 | 67% | 0.67 | 78% | 0.778 | S | S | * | * | | | trans | 97.2 | 106.5 | 134.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 69 | T | 42.7 | Very low | 49.4 | Very low | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | 69.4 | 100.2 | 137.5 | 55.8 | 0 | 0 | 0 | 0 | 120 | | |
| 70 | T | 43.7 | Very low | 49.5 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | | | | 94.8 | 152.1 | 97.5 | -49.6 | 0 | 0 | 0 | 0 | 111.6 | | |
| 71 | P | 44.9 | Very low | 49.1 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | | | cis | -124.8 | 170.1 | 1.2 | 15.6 | 10.8 | 0 | 0 | 0 | 116 | | |
| 72 | C | 51.2 | Low | 48.7 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | | | trans | -69.6 | 156.9 | 162 | -67.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 73 | L | 46.6 | Very low | 48.8 | Very low | 162 Ų | 162 | 128.1 Ų | 128.1 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | | | trans | 126.2 | 156.9 | 142.2 | -69.5 | 155.8 | 0 | 0 | 0 | 113.7 | | |
| 74 | P | 48.2 | Very low | 48.8 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 60% | 0.597 | 79% | 0.785 | S | S | * | * | | | cis | -139 | 164.7 | -42.9 | 36 | -19.6 | 0 | 0 | 0 | 112.6 | | |
| 75 | T | 55.4 | Low | 49.2 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | | | trans | 46 | 82.2 | 136.7 | -50.3 | 0 | 0 | 0 | 0 | 118.8 | | |
| 76 | T | 50.1 | Low | 49.1 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | | | trans | -136 | -1.7 | 142.5 | -23.8 | 0 | 0 | 0 | 0 | 114.3 | C78 | T76-C78 PolarHBondContact O-N 3.28Š|
| 77 | C | 47.9 | Very low | 48.6 | Very low | 132 Ų | 132 | 127.9 Ų | 127.9 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | | | trans | -79.2 | 67.3 | 159.2 | -78.6 | 0 | 0 | 0 | 0 | 109.8 | P79 | C77-P79 WeakPolarHBondContact O-CD 3.5Š|
| 78 | C | 44.5 | Very low | 49.2 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 66% | 0.655 | 79% | 0.791 | S | S | * | * | | | trans | -87.8 | 110.7 | 157.8 | -74.1 | 0 | 0 | 0 | 0 | 107.5 | T76 R80 | T76-C78 PolarHBondContact O-N 3.28Å; C78-R80 PolarHBondContact O-N 3.44Å |
| 79 | P | 50.4 | Low | 49.9 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | | | trans | -66.7 | 129.3 | 164.6 | 28.1 | -29.9 | 0 | 0 | 0 | 108.7 | C77 | C77-P79 WeakPolarHBondContact O-CD 3.5Š|
| 80 | R | 51.9 | Low | 50.3 | Low | 232 Ų | 232 | 139.9 Ų | 139.9 | 88% | 0.875 | 82% | 0.815 | S | S | * | * | | | trans | -29.8 | 125.6 | 167.7 | -173.9 | 175.1 | 175.9 | 134.9 | -3.7 | 112.9 | C78 H82 | C78-R80 PolarHBondContact O-N 3.44Å; R80-H82 PolarHBondContact O-N 3.03Å |
| 81 | P | 48.4 | Very low | 50.6 | Low | 119 Ų | 119 | 140.4 Ų | 140.4 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 126.4 | 174.3 | 26.1 | -30.3 | 0 | 0 | 0 | 110.6 | | |
| 82 | H | 48.7 | Very low | 50.9 | Low | 181 Ų | 181 | 141.5 Ų | 141.5 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 139.3 | 165.5 | -100.5 | -100.5 | 0 | 0 | 0 | 110.1 | R80 A84 | R80-H82 PolarHBondContact O-N 3.03Å; H82-A84 PolarHBondContact O-N 3.43Å |
| 83 | P | 50.8 | Low | 50.9 | Low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 118.9 | 167.2 | 28.6 | -30.7 | 0 | 0 | 0 | 109.4 | V85 | P83-V85 PolarHBondContact O-N 3.05Å; P83-V85 VanDerWaalsContact O-N 3.14Å |
| 84 | A | 52.5 | Low | 51.2 | Low | 101 Ų | 101 | 142 Ų | 142 | 84% | 0.835 | 82% | 0.82 | S | S | * | * | | | trans | -71.7 | 102.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | H82 G86 | H82-A84 PolarHBondContact O-N 3.43Å; A84-G86 PolarHBondContact O-N 3.25Å |
| 85 | V | 56.4 | Low | 51.4 | Low | 151 Ų | 151 | 145.1 Ų | 145.1 | 92% | 0.915 | 83% | 0.834 | S | S | * | * | | | trans | -64.5 | 112.8 | 154.8 | 156.9 | 0 | 0 | 0 | 0 | 107 | P83 | P83-V85 PolarHBondContact O-N 3.05Å; P83-V85 VanDerWaalsContact O-N 3.14Å |
| 86 | G | 50 | Low | 51.1 | Low | 72 Ų | 72 | 147.3 Ų | 147.3 | 74% | 0.742 | 84% | 0.843 | S | S | * | * | | | trans | -158 | 65.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | A84 | A84-G86 PolarHBondContact O-N 3.25Š|
| 87 | A | 53.7 | Low | 51.2 | Low | 97 Ų | 97 | 148 Ų | 148 | 80% | 0.802 | 84% | 0.843 | S | S | * | * | | | trans | -77.8 | 126.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 88 | R | 54.7 | Low | 51.4 | Low | 253 Ų | 253 | 149.2 Ų | 149.2 | 96% | 0.955 | 84% | 0.84 | S | S | * | * | | | trans | 166 | 101.7 | 157.4 | -95.2 | 168.1 | -172.4 | -156.4 | 3.4 | 105.6 | | |
| 89 | G | 54.3 | Low | 52 | Low | 73 Ų | 73 | 153.6 Ų | 153.6 | 75% | 0.753 | 86% | 0.855 | S | S | * | * | | | | 103.2 | 110.8 | 55.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 90 | R | 52.3 | Low | 52.1 | Low | 327 Ų | 327 | 156.6 Ų | 156.6 | 100% | 1.234 | 86% | 0.862 | S | S | * | * | | | trans | -179.2 | 0 | 144 | -99.3 | 178.2 | -161.9 | -77.4 | 0.2 | 109.4 | | |