| 1 | M | 45.7 | Very low | 52.2 | Low | 245 Ų | 245 | 144.4 Ų | 144.4 | 100% | 1.207 | 82% | 0.823 | S | S | * | * | | | | 0 | 93.9 | 0 | -63.3 | 176.3 | -176.3 | 0 | 0 | 108 | | |
| 2 | K | 48.9 | Very low | 52.4 | Low | 200 Ų | 200 | 136 Ų | 136 | 87% | 0.87 | 78% | 0.78 | S | S | * | * | | | trans | -139.6 | 65.7 | -178.6 | -84.8 | -178.4 | 170.3 | 167.5 | 0 | 107.9 | | |
| 3 | C | 53.7 | Low | 52.7 | Low | 124 Ų | 124 | 137.6 Ų | 137.6 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | | | trans | -143.6 | 54.8 | -175.5 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 4 | V | 49.8 | Very low | 52.9 | Low | 137 Ų | 137 | 137.1 Ų | 137.1 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -147.5 | 34.8 | 168.7 | -159.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 5 | F | 51.6 | Low | 53.3 | Low | 197 Ų | 197 | 135.3 Ų | 135.3 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -124.3 | 3.6 | -170.9 | -85.3 | -76.8 | 0 | 0 | 0 | 115.8 | | |
| 6 | V | 51.8 | Low | 53.6 | Low | 133 Ų | 133 | 133.7 Ų | 133.7 | 81% | 0.806 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -137.8 | 21.1 | -169.9 | -141.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 7 | T | 52.2 | Low | 54 | Low | 136 Ų | 136 | 129.9 Ų | 129.9 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -144.9 | 23.1 | 172.7 | -28.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 8 | V | 54.5 | Low | 54.3 | Low | 91 Ų | 91 | 126.1 Ų | 126.1 | 55% | 0.552 | 71% | 0.709 | S | S | * | * | | | trans | -141.3 | 52.8 | 161.6 | -161.8 | 0 | 0 | 0 | 0 | 110.3 | S12 | V8-S12 WeakPolarHBondContact CG1-OG 3.36Å; V8-S12 VanDerWaalsContact CG1-OG 3.26Å |
| 9 | G | 57.9 | Low | 54.2 | Low | 62 Ų | 62 | 124.4 Ų | 124.4 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 136.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 10 | T | 53.8 | Low | 54 | Low | 148 Ų | 148 | 124.2 Ų | 124.2 | 91% | 0.908 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.3 | -19.1 | 164.9 | 78.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 11 | T | 54.8 | Low | 53.8 | Low | 115 Ų | 115 | 122.3 Ų | 122.3 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | 1.5 | -178.6 | 57.5 | 0 | 0 | 0 | 0 | 117.7 | | |
| 12 | S | 54.3 | Low | 54.1 | Low | 44 Ų | 44 | 113.9 Ų | 113.9 | 31% | 0.308 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -149.1 | 42.2 | 177.5 | 96.1 | 0 | 0 | 0 | 0 | 115.5 | V8 | V8-S12 WeakPolarHBondContact CG1-OG 3.36Å; V8-S12 VanDerWaalsContact CG1-OG 3.26Å |
| 13 | F | 55.7 | Low | 54.2 | Low | 157 Ų | 157 | 109.6 Ų | 109.6 | 69% | 0.689 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -94.9 | -40.4 | 160.5 | -173.5 | -120.8 | 0 | 0 | 0 | 111.2 | L16 I17 | F13-L16 PolarHBondContact O-N 3.3Å; F13-I17 HydrophobicContact CD1-CD1 3.4Å; F13-I17 PolarHBondContact O-N 3.22Å; F13-I17 WeakPolarHBondContact O-CG1 3.26Å; F13-I17 HydrophobicContact CZ-CG1 3.9Å; F13-I17 HydrophobicContact CZ-CD1 3.35Å; F13-I17 HydrophobicContact CG-CD1 4Å; F13-I17 HydrophobicContact CE2-CG1 4.06Å; F13-I17 HydrophobicContact CE2-CD1 3.95Å; F13-I17 HydrophobicContact CE1-CG1 4.07Å; F13-I17 HydrophobicContact CE1-CD1 3.06Å; F13-I17 HydrophobicContact CD2-CG1 4.38Å; F13-I17 HydrophobicContact CD2-CD1 4.25Å; F13-I17 HydrophobicContact CD1-CG1 4.35Å |
| 14 | D | 56.3 | Low | 54 | Low | 130 Ų | 130 | 111 Ų | 111 | 70% | 0.695 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -64.4 | -43 | 178.4 | -152.5 | -102.1 | 0 | 0 | 0 | 111.8 | L16 I17 A18 | D14-L16 VanDerWaalsContact C-N 3.32Å; D14-L16 PolarHBondContact O-N 2.85Å; D14-I17 CarbonylContact O-C 3.58Å; D14-I17 PolarHBondContact O-N 3.33Å; D14-A18 WeakPolarHBondContact O-CB 3.32Å; D14-A18 PolarHBondContact O-N 2.74Å |
| 15 | D | 58.1 | Low | 54.2 | Low | 111 Ų | 111 | 108.8 Ų | 108.8 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -62.6 | -36.6 | 173.4 | -105.5 | -91 | 0 | 0 | 0 | 112.8 | A18 C19 | D15-A18 PolarHBondContact O-N 2.62Å; D15-C19 PolarHBondContact O-SG 3.4Å; D15-C19 WeakPolarHBondContact O-CB 2.94Å; D15-C19 PolarHBondContact O-N 3.17Å |
| 16 | L | 58.3 | Low | 54.1 | Low | 109 Ų | 109 | 107.5 Ų | 107.5 | 57% | 0.571 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72.8 | -38 | 178.5 | -131.4 | 71.1 | 0 | 0 | 0 | 111.2 | F13 D14 V20 | F13-L16 PolarHBondContact O-N 3.3Å; D14-L16 VanDerWaalsContact C-N 3.32Å; D14-L16 PolarHBondContact O-N 2.85Å; L16-V20 WeakPolarHBondContact O-CB 2.91Å; L16-V20 WeakPolarHBondContact O-CG2 3.31Å; L16-V20 PolarHBondContact O-N 3.38Å |
| 17 | I | 60.8 | Low | 53.8 | Low | 70 Ų | 70 | 109 Ų | 109 | 36% | 0.359 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.1 | -41.3 | 171.2 | -68.9 | 164.8 | 0 | 0 | 0 | 110.3 | F13 D14 C19 V20 S21 | F13-I17 HydrophobicContact CD1-CD1 3.4Å; F13-I17 PolarHBondContact O-N 3.22Å; F13-I17 WeakPolarHBondContact O-CG1 3.26Å; F13-I17 HydrophobicContact CZ-CG1 3.9Å; F13-I17 HydrophobicContact CZ-CD1 3.35Å; F13-I17 HydrophobicContact CG-CD1 4Å; F13-I17 HydrophobicContact CE2-CG1 4.06Å; F13-I17 HydrophobicContact CE2-CD1 3.95Å; F13-I17 HydrophobicContact CE1-CG1 4.07Å; F13-I17 HydrophobicContact CE1-CD1 3.06Å; F13-I17 HydrophobicContact CD2-CG1 4.38Å; F13-I17 HydrophobicContact CD2-CD1 4.25Å; F13-I17 HydrophobicContact CD1-CG1 4.35Å; D14-I17 CarbonylContact O-C 3.58Å; D14-I17 PolarHBondContact O-N 3.33Å; I17-C19 VanDerWaalsContact C-N 3.27Å; I17-C19 PolarHBondContact O-N 2.97Å; I17-V20 CarbonylContact O-C 3.5Å; I17-V20 PolarHBondContact O-N 2.98Å; I17-V20 VanDerWaalsContact O-N 3.17Å; I17-S21 PolarHBondContact O-N 3.44Å; I17-S21 WeakPolarHBondContact O-CB 3.34Å; I17-S21 WeakPolarHBondContact O-CA 3.35Å; I17-S21 VanDerWaalsContact O-CA 3.31Å |
| 18 | A | 59.6 | Low | 53.8 | Low | 60 Ų | 60 | 108.8 Ų | 108.8 | 50% | 0.496 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -62.5 | -37.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | D14 D15 A22 | D14-A18 WeakPolarHBondContact O-CB 3.32Å; D14-A18 PolarHBondContact O-N 2.74Å; D15-A18 PolarHBondContact O-N 2.62Å; A18-A22 PolarHBondContact O-N 3.1Å |
| 19 | C | 51.9 | Low | 53.5 | Low | 94 Ų | 94 | 113.4 Ų | 113.4 | 64% | 0.635 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -70.4 | -34.9 | 173.3 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | D15 I17 | D15-C19 PolarHBondContact O-SG 3.4Å; D15-C19 WeakPolarHBondContact O-CB 2.94Å; D15-C19 PolarHBondContact O-N 3.17Å; I17-C19 VanDerWaalsContact C-N 3.27Å; I17-C19 PolarHBondContact O-N 2.97Å |
| 20 | V | 50.6 | Low | 53 | Low | 121 Ų | 121 | 112.6 Ų | 112.6 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -85.1 | -23.1 | 177.6 | 165.8 | 0 | 0 | 0 | 0 | 112.8 | L16 I17 A22 | L16-V20 WeakPolarHBondContact O-CB 2.91Å; L16-V20 WeakPolarHBondContact O-CG2 3.31Å; L16-V20 PolarHBondContact O-N 3.38Å; I17-V20 CarbonylContact O-C 3.5Å; I17-V20 PolarHBondContact O-N 2.98Å; I17-V20 VanDerWaalsContact O-N 3.17Å; V20-A22 VanDerWaalsContact C-N 3.35Å |
| 21 | S | 49.1 | Very low | 52.5 | Low | 84 Ų | 84 | 113.1 Ų | 113.1 | 59% | 0.587 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -92.1 | 4 | -179.8 | -171.5 | 0 | 0 | 0 | 0 | 112.4 | I17 P23 | I17-S21 PolarHBondContact O-N 3.44Å; I17-S21 WeakPolarHBondContact O-CB 3.34Å; I17-S21 WeakPolarHBondContact O-CA 3.35Å; I17-S21 VanDerWaalsContact O-CA 3.31Å; S21-P23 WeakPolarHBondContact O-CD 3.42Å |
| 22 | A | 53.3 | Low | 52.2 | Low | 68 Ų | 68 | 114.5 Ų | 114.5 | 56% | 0.562 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -82.6 | 89.7 | 148.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | A18 V20 D24 | A18-A22 PolarHBondContact O-N 3.1Å; V20-A22 VanDerWaalsContact C-N 3.35Å; A22-D24 PolarHBondContact O-N 3.18Å |
| 23 | P | 49.7 | Very low | 51.9 | Low | 110 Ų | 110 | 119.8 Ų | 119.8 | 71% | 0.714 | 67% | 0.67 | S | S | * | * | | | trans | -59.7 | 121.7 | 172.7 | 28.3 | -33.9 | 0 | 0 | 0 | 106.6 | S21 S25 | S21-P23 WeakPolarHBondContact O-CD 3.42Å; P23-S25 PolarHBondContact O-N 3.04Å |
| 24 | D | 51 | Low | 51.6 | Low | 155 Ų | 155 | 121.7 Ų | 121.7 | 83% | 0.829 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -34.9 | 120.2 | 165 | -164.1 | -104.6 | 0 | 0 | 0 | 110.3 | A22 | A22-D24 PolarHBondContact O-N 3.18Š|
| 25 | S | 52.3 | Low | 51.3 | Low | 90 Ų | 90 | 125.6 Ų | 125.6 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 75.2 | 61.7 | 145.3 | -154.6 | 0 | 0 | 0 | 0 | 119.7 | P23 | P23-S25 PolarHBondContact O-N 3.04Š|
| 26 | L | 50.4 | Low | 50.7 | Low | 169 Ų | 169 | 128.6 Ų | 128.6 | 89% | 0.885 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -166 | 9.7 | 149.5 | -106.2 | 155.8 | 0 | 0 | 0 | 118.2 | | |
| 27 | Q | 46.3 | Very low | 50.1 | Low | 165 Ų | 165 | 128.2 Ų | 128.2 | 77% | 0.771 | 69% | 0.694 | S | S | * | * | | | trans | -132.8 | 30.7 | 178 | -73.7 | -170.9 | 64.2 | 0 | 0 | 114.6 | Q29 G30 | Q27-Q29 PolarHBondContact O-N 3.16Å; Q27-G30 PolarHBondContact O-N 3.01Å; Q27-G30 VanDerWaalsContact O-N 3.16Å |
| 28 | V | 50.3 | Low | 49.7 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 80% | 0.8 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -9.3 | 178.9 | -179.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 29 | Q | 50 | Low | 49.4 | Very low | 187 Ų | 187 | 135.7 Ų | 135.7 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -15.9 | 175.9 | -162.3 | 156.5 | -33.4 | 0 | 0 | 114.9 | Q27 | Q27-Q29 PolarHBondContact O-N 3.16Š|
| 30 | G | 45.8 | Very low | 49.5 | Very low | 46 Ų | 46 | 142.6 Ų | 142.6 | 47% | 0.474 | 74% | 0.742 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.3 | -21.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q27 | Q27-G30 PolarHBondContact O-N 3.01Å; Q27-G30 VanDerWaalsContact O-N 3.16Å |
| 31 | F | 44.8 | Very low | 49.5 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 69% | 0.693 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -95 | -18.2 | -174.4 | -153.6 | -99.9 | 0 | 0 | 0 | 113.7 | E33 R34 | F31-E33 PolarHBondContact O-N 3.29Å; F31-R34 PolarHBondContact O-N 3.35Å |
| 32 | L | 48.7 | Very low | 49.3 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -12.2 | 175 | -163.4 | 64.5 | 0 | 0 | 0 | 112.9 | | |
| 33 | E | 46.3 | Very low | 48.9 | Very low | 156 Ų | 156 | 155 Ų | 155 | 73% | 0.729 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | -18.9 | 171.8 | -77 | -152.7 | 95.7 | 0 | 0 | 113.5 | F31 R35 | F31-E33 PolarHBondContact O-N 3.29Å; E33-R35 VanDerWaalsContact C-N 3.32Å; E33-R35 PolarHBondContact O-N 3.43Å |
| 34 | R | 51 | Low | 48.9 | Very low | 196 Ų | 196 | 157.2 Ų | 157.2 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -13.1 | -177.5 | -69.2 | -83.5 | -156.5 | 119.7 | 8.3 | 113.6 | F31 | F31-R34 PolarHBondContact O-N 3.35Š|
| 35 | R | 49.2 | Very low | 48.8 | Very low | 212 Ų | 212 | 157.3 Ų | 157.3 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 5.6 | 176.7 | -78.4 | -68.2 | -164.4 | 171.9 | 2.9 | 114.4 | E33 | E33-R35 VanDerWaalsContact C-N 3.32Å; E33-R35 PolarHBondContact O-N 3.43Å |
| 36 | H | 45.6 | Very low | 48.6 | Very low | 174 Ų | 174 | 161.1 Ų | 161.1 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -114.1 | 3.2 | 171.5 | -127.5 | -115.3 | 0 | 0 | 0 | 113.7 | | |
| 37 | S | 45.7 | Very low | 48.5 | Very low | 101 Ų | 101 | 160.6 Ų | 160.6 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -109.8 | 40 | 177.8 | -168.5 | 0 | 0 | 0 | 0 | 112.9 | | |
| 38 | E | 51.8 | Low | 48.6 | Very low | 182 Ų | 182 | 160.3 Ų | 160.3 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -119.4 | 22.2 | 163.2 | -126.5 | -170.8 | 110.4 | 0 | 0 | 111.6 | | |
| 39 | S | 53.3 | Low | 48.5 | Very low | 105 Ų | 105 | 162.2 Ų | 162.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -136 | 53.1 | 178.3 | -130.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 40 | R | 54 | Low | 48.4 | Very low | 240 Ų | 240 | 160.4 Ų | 160.4 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -175.1 | 62 | 162.9 | -107.1 | 178.8 | -77.1 | -174.3 | -0.3 | 111.9 | | |
| 41 | S | 51.8 | Low | 48.6 | Very low | 104 Ų | 104 | 169.2 Ų | 169.2 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -160.1 | 59.7 | 156.1 | -143.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 42 | C | 43.3 | Very low | 48.9 | Very low | 135 Ų | 135 | 170.2 Ų | 170.2 | 91% | 0.912 | 82% | 0.818 | S | S | * | * | | | trans | -109.4 | 89.5 | 147.5 | -62.3 | 0 | 0 | 0 | 0 | 104.7 | | |
| 43 | Y | 46.6 | Very low | 49 | Very low | 293 Ų | 293 | 172.5 Ų | 172.5 | 100% | 1.149 | 82% | 0.824 | S | S | * | * | | | trans | -69.5 | 0 | 148.9 | -84.3 | -82.6 | 0 | 0 | 0 | 108.1 | | |