| 1 | M | 39.6 | Very low | 44.8 | Very low | 233 Ų | 233 | 134.3 Ų | 134.3 | 100% | 1.148 | 82% | 0.816 | S | S | * | * | | | | 0 | 125.1 | 0 | -70.8 | 160.2 | 77.4 | 0 | 0 | 107.4 | | |
| 2 | S | 41.8 | Very low | 45.9 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | | | trans | 63.8 | 131.2 | 158.8 | -41.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 3 | G | 35.8 | Very low | 46 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | cis | -174 | 151.6 | 6.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 4 | A | 44.3 | Very low | 46.2 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | | | trans | -71.5 | 147 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 5 | S | 39.4 | Very low | 46.2 | Very low | 120 Ų | 120 | 138 Ų | 138 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | | | trans | -150.4 | 112 | 132.7 | -160.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 6 | S | 41.3 | Very low | 46.4 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -65.2 | 137.3 | 177.8 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | E8 | S6-E8 PolarHBondContact O-N 3.02Š|
| 7 | S | 47 | Very low | 46.8 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | | | trans | -51.7 | 119.1 | 172.6 | 47.3 | 0 | 0 | 0 | 0 | 112 | Q9 | S7-Q9 PolarHBondContact O-N 2.74Š|
| 8 | E | 50.8 | Low | 47.3 | Very low | 195 Ų | 195 | 138 Ų | 138 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | | | trans | -66.1 | 109.2 | 163.3 | -80.4 | 168 | 98.2 | 0 | 0 | 109.3 | S6 | S6-E8 PolarHBondContact O-N 3.02Š|
| 9 | Q | 47.3 | Very low | 48 | Very low | 161 Ų | 161 | 136.9 Ų | 136.9 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | trans | -105.1 | 92 | 161.3 | -90.9 | 165.4 | -41.4 | 0 | 0 | 108.6 | S7 N11 | S7-Q9 PolarHBondContact O-N 2.74Å; Q9-N11 PolarHBondContact O-N 3.15Å |
| 10 | N | 61.5 | Low | 48.5 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -54.1 | 113.3 | 156.1 | -179.7 | -69.2 | 0 | 0 | 0 | 108.4 | | |
| 11 | N | 44.4 | Very low | 48.9 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | | | trans | -141.4 | 88.2 | 163.9 | -80.3 | -48.6 | 0 | 0 | 0 | 107.8 | Q9 S13 | Q9-N11 PolarHBondContact O-N 3.15Å; N11-S13 VanDerWaalsContact C-N 3.27Å; N11-S13 PolarHBondContact O-N 3.24Å |
| 12 | N | 57.4 | Low | 49.7 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | | | trans | -67.4 | 89.8 | 160.3 | -89.9 | -29.5 | 0 | 0 | 0 | 108.4 | | |
| 13 | S | 46.8 | Very low | 50.4 | Low | 68 Ų | 68 | 134 Ų | 134 | 48% | 0.476 | 74% | 0.736 | S | S | . | * | | | trans | -120.2 | 116 | 161.5 | 56.3 | 0 | 0 | 0 | 0 | 106.6 | N11 E15 | N11-S13 VanDerWaalsContact C-N 3.27Å; N11-S13 PolarHBondContact O-N 3.24Å; S13-E15 PolarHBondContact O-N 3.26Å |
| 14 | Y | 50 | Low | 51.6 | Low | 225 Ų | 225 | 135.9 Ų | 135.9 | 88% | 0.882 | 74% | 0.737 | S | S | * | * | | | trans | -67.1 | 57.7 | 170 | 41.8 | -92.6 | 0 | 0 | 0 | 109.7 | T16 | Y14-T16 PolarHBondContact O-N 3.27Å; Y14-T16 VanDerWaalsContact O-N 3.15Å |
| 15 | E | 44.9 | Very low | 52.3 | Low | 144 Ų | 144 | 140.1 Ų | 140.1 | 67% | 0.673 | 74% | 0.739 | S | S | * | * | | | trans | -67.8 | 112.7 | 168.2 | -67.5 | -68.6 | 126.5 | 0 | 0 | 105.6 | S13 K17 | S13-E15 PolarHBondContact O-N 3.26Å; E15-K17 PolarHBondContact O-N 2.74Å |
| 16 | T | 50.7 | Low | 53.8 | Low | 135 Ų | 135 | 141.1 Ų | 141.1 | 83% | 0.828 | 73% | 0.728 | S | S | * | * | | | trans | -58 | 86.7 | 163.9 | -51.2 | 0 | 0 | 0 | 0 | 106.2 | Y14 T18 | Y14-T16 PolarHBondContact O-N 3.27Å; Y14-T16 VanDerWaalsContact O-N 3.15Å; T16-T18 VanDerWaalsContact C-N 3.25Å; T16-T18 PolarHBondContact O-N 2.66Å |
| 17 | K | 52.9 | Low | 55.5 | Low | 191 Ų | 191 | 146.4 Ų | 146.4 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | | | trans | -67 | 90.3 | -169.5 | -157.9 | 175.3 | -170.3 | -175.7 | 0 | 106 | E15 P19 | E15-K17 PolarHBondContact O-N 2.74Å; K17-P19 WeakPolarHBondContact O-CD 3.34Å |
| 18 | T | 55.9 | Low | 56.7 | Low | 88 Ų | 88 | 145.5 Ų | 145.5 | 54% | 0.54 | 73% | 0.731 | S | S | . | * | | | trans | -48.2 | 116.8 | 169.7 | 47.9 | 0 | 0 | 0 | 0 | 105.8 | T16 N20 | T16-T18 VanDerWaalsContact C-N 3.25Å; T16-T18 PolarHBondContact O-N 2.66Å; T18-N20 PolarHBondContact O-N 2.75Å |
| 19 | P | 59.4 | Low | 58.3 | Low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -70.3 | 14.7 | -163.4 | 24.9 | -34.2 | 0 | 0 | 0 | 114.1 | K17 | K17-P19 WeakPolarHBondContact O-CD 3.34Š|
| 20 | N | 59.2 | Low | 60.2 | Low | 126 Ų | 126 | 142.7 Ų | 142.7 | 67% | 0.674 | 72% | 0.718 | S | S | * | * | | | trans | -141.1 | 48.2 | -162.5 | -128 | -47.3 | 0 | 0 | 0 | 114.3 | T18 | T18-N20 PolarHBondContact O-N 2.75Š|
| 21 | L | 55.5 | Low | 61.1 | Low | 131 Ų | 131 | 140 Ų | 140 | 69% | 0.686 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -129.6 | 2.8 | 178.2 | -86.3 | 178.1 | 0 | 0 | 0 | 116.7 | | |
| 22 | R | 56.9 | Low | 63 | Low | 199 Ų | 199 | 136.5 Ų | 136.5 | 75% | 0.751 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -142.2 | 46.2 | -175.2 | -65.6 | -69.8 | 163.6 | 85.8 | 0.4 | 114.5 | K26 | R22-K26 WeakPolarHBondContact O-CE 3.4Å; R22-K26 PolarHBondContact O-NZ 3.45Å |
| 23 | M | 56.7 | Low | 64.4 | Low | 118 Ų | 118 | 137.2 Ų | 137.2 | 58% | 0.581 | 69% | 0.692 | S | S | * | * | | | trans | -101.5 | -4.2 | 173.5 | -104 | 73 | 146.8 | 0 | 0 | 115.1 | E25 | M23-E25 PolarHBondContact O-N 3.01Š|
| 24 | S | 61 | Low | 66.5 | Low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -95.6 | 18.5 | -163.4 | 60.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 25 | E | 60 | Low | 68.3 | Low | 195 Ų | 195 | 133.1 Ų | 133.1 | 91% | 0.911 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -147.9 | -1.8 | 177.4 | -133.9 | 169 | 101.4 | 0 | 0 | 117.5 | M23 | M23-E25 PolarHBondContact O-N 3.01Š|
| 26 | K | 70.1 | Confident | 70.1 | Confident | 141 Ų | 141 | 133.5 Ų | 133.5 | 61% | 0.613 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -117.9 | 133.7 | 176.5 | 62.9 | -146.4 | 173.6 | -157.7 | 0 | 109.5 | R22 C28 | R22-K26 WeakPolarHBondContact O-CE 3.4Å; R22-K26 PolarHBondContact O-NZ 3.45Å; K26-C28 PolarHBondContact O-N 3.02Å |
| 27 | K | 77.8 | Confident | 71.7 | Confident | 214 Ų | 214 | 131.1 Ų | 131.1 | 93% | 0.93 | 68% | 0.676 | S | S | * | * | | | trans | -58.8 | 113.1 | -179.7 | -141.3 | 129.2 | 75.8 | -166.2 | 0 | 108.4 | | |
| 28 | C | 71.6 | Confident | 73.3 | Confident | 76 Ų | 76 | 128.1 Ų | 128.1 | 51% | 0.514 | 68% | 0.676 | S | S | . | * | | | trans | -56.9 | 145.9 | -176.9 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | K26 | K26-C28 PolarHBondContact O-N 3.02Š|
| 29 | S | 83.4 | Confident | 74.9 | Confident | 87 Ų | 87 | 129 Ų | 129 | 61% | 0.608 | 68% | 0.681 | S | S | * | * | | | trans | -71.4 | 158.3 | 177 | -52.5 | 0 | 0 | 0 | 0 | 111.9 | A31 S32 Y33 | S29-A31 PolarHBondContact O-N 3.41Å; S29-A31 VanDerWaalsContact O-N 3.12Å; S29-S32 WeakPolarHBondContact O-CA 3.42Å; S29-S32 WeakPolarHBondContact O-CB 3.44Å; S29-S32 PolarHBondContact O-N 3.12Å; S29-Y33 PolarHBondContact O-N 2.84Å |
| 30 | W | 87.3 | Confident | 76.4 | Confident | 210 Ų | 210 | 131 Ų | 131 | 80% | 0.795 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -50.7 | -36.2 | 176 | -84.3 | 96 | 0 | 0 | 0 | 113.9 | S32 Y33 M34 | W30-S32 VanDerWaalsContact C-N 3.32Å; W30-S32 PolarHBondContact O-N 3.25Å; W30-Y33 HydrophobicContact CE3-CD1 4.49Å; W30-Y33 HydrophobicContact CZ3-CD1 4.46Å; W30-Y33 WeakPolarHBondContact O-CB 3.36Å; W30-Y33 PolarHBondContact O-N 3.15Å; W30-M34 WeakPolarHBondContact O-CG 3.46Å; W30-M34 PolarHBondContact O-N 3.32Å |
| 31 | A | 81.8 | Confident | 77.9 | Confident | 75 Ų | 75 | 132.8 Ų | 132.8 | 62% | 0.62 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -62.4 | -37.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S29 Y33 M34 T35 | S29-A31 PolarHBondContact O-N 3.41Å; S29-A31 VanDerWaalsContact O-N 3.12Å; A31-Y33 VanDerWaalsContact C-N 3.34Å; A31-M34 PolarHBondContact O-N 2.9Å; A31-T35 VanDerWaalsContact O-OG1 3.08Å; A31-T35 PolarHBondContact O-OG1 3.46Å; A31-T35 PolarHBondContact O-N 3.22Å |
| 32 | S | 84 | Confident | 79.7 | Confident | 56 Ų | 56 | 132 Ų | 132 | 39% | 0.392 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -71.1 | -32.7 | 176.5 | -162.7 | 0 | 0 | 0 | 0 | 111.4 | S29 W30 M34 T35 | S29-S32 WeakPolarHBondContact O-CA 3.42Å; S29-S32 WeakPolarHBondContact O-CB 3.44Å; S29-S32 PolarHBondContact O-N 3.12Å; W30-S32 VanDerWaalsContact C-N 3.32Å; W30-S32 PolarHBondContact O-N 3.25Å; S32-M34 PolarHBondContact O-N 3.19Å; S32-T35 PolarHBondContact O-N 3.08Å |
| 33 | Y | 86.1 | Confident | 81.3 | Confident | 170 Ų | 170 | 130.7 Ų | 130.7 | 67% | 0.667 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -65.8 | -28.7 | 176 | -174.6 | -111.2 | 0 | 0 | 0 | 112.5 | S29 W30 A31 | S29-Y33 PolarHBondContact O-N 2.84Å; W30-Y33 HydrophobicContact CE3-CD1 4.49Å; W30-Y33 HydrophobicContact CZ3-CD1 4.46Å; W30-Y33 WeakPolarHBondContact O-CB 3.36Å; W30-Y33 PolarHBondContact O-N 3.15Å; A31-Y33 VanDerWaalsContact C-N 3.34Å |
| 34 | M | 91.4 | Very high | 83 | Confident | 127 Ų | 127 | 132.6 Ų | 132.6 | 63% | 0.626 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -9.7 | 178.7 | -61 | -76.6 | 72.4 | 0 | 0 | 113.9 | W30 A31 S32 | W30-M34 WeakPolarHBondContact O-CG 3.46Å; W30-M34 PolarHBondContact O-N 3.32Å; A31-M34 PolarHBondContact O-N 2.9Å; S32-M34 PolarHBondContact O-N 3.19Å |
| 35 | T | 87.4 | Confident | 84.5 | Confident | 81 Ų | 81 | 129.6 Ų | 129.6 | 50% | 0.497 | 70% | 0.696 | S | S | . | * | | | trans | -112.5 | 100.1 | -176.2 | -51.6 | 0 | 0 | 0 | 0 | 110 | A31 S32 | A31-T35 VanDerWaalsContact O-OG1 3.08Å; A31-T35 PolarHBondContact O-OG1 3.46Å; A31-T35 PolarHBondContact O-N 3.22Å; S32-T35 PolarHBondContact O-N 3.08Å |
| 36 | N | 83.1 | Confident | 86 | Confident | 152 Ų | 152 | 126.7 Ų | 126.7 | 81% | 0.813 | 69% | 0.686 | S | S | * | * | | | trans | -89.3 | -9.7 | -175.3 | -70.3 | -75.2 | 0 | 0 | 0 | 114.4 | | |
| 37 | S | 84.3 | Confident | 86.3 | Confident | 85 Ų | 85 | 126.1 Ų | 126.1 | 59% | 0.594 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -119.6 | 142.6 | -177.1 | -62.1 | 0 | 0 | 0 | 0 | 110.9 | T39 | S37-T39 PolarHBondContact O-N 3.29Š|
| 38 | P | 87.1 | Confident | 86.4 | Confident | 127 Ų | 127 | 121.5 Ų | 121.5 | 83% | 0.825 | 70% | 0.698 | S | S | * | * | | | trans | -63.3 | 126.4 | 172 | 26.6 | -32.6 | 0 | 0 | 0 | 109.8 | | |
| 39 | T | 88.6 | Confident | 85.5 | Confident | 106 Ų | 106 | 129.8 Ų | 129.8 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | | | trans | -105.9 | 131.9 | 178.8 | -57.8 | 0 | 0 | 0 | 0 | 110 | S37 | S37-T39 PolarHBondContact O-N 3.29Š|
| 40 | L | 90.6 | Very high | 85.6 | Confident | 160 Ų | 160 | 132 Ų | 132 | 84% | 0.838 | 72% | 0.724 | S | S | * | * | | | trans | -89.8 | 127.6 | 170.6 | -63.1 | 175.9 | 0 | 0 | 0 | 109.4 | | |
| 41 | I | 91.7 | Very high | 85.5 | Confident | 165 Ų | 165 | 127.8 Ų | 127.8 | 85% | 0.846 | 72% | 0.72 | S | S | * | * | | | trans | -100.4 | 115.4 | 175.9 | -57.5 | 174.2 | 0 | 0 | 0 | 107.7 | | |
| 42 | V | 92.3 | Very high | 85.7 | Confident | 113 Ų | 113 | 130.8 Ų | 130.8 | 69% | 0.685 | 73% | 0.726 | S | S | * | * | | | trans | -101.7 | 122.9 | 178.1 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | I44 | V42-I44 HydrophobicContact CG1-CD1 4.44Å; V42-I44 HydrophobicContact CG1-CG1 3.95Å |
| 43 | M | 91.5 | Very high | 85.8 | Confident | 172 Ų | 172 | 135.2 Ų | 135.2 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | | | trans | -81.1 | 120.7 | 172.5 | -166.7 | 167.1 | 74.8 | 0 | 0 | 108.8 | | |
| 44 | I | 92.3 | Very high | 85.7 | Confident | 158 Ų | 158 | 133 Ų | 133 | 81% | 0.81 | 75% | 0.751 | S | S | * | * | | | trans | -123 | 119.7 | 174.3 | -55.4 | 176.2 | 0 | 0 | 0 | 106.6 | V42 | V42-I44 HydrophobicContact CG1-CD1 4.44Å; V42-I44 HydrophobicContact CG1-CG1 3.95Å |
| 45 | G | 92.1 | Very high | 85.4 | Confident | 51 Ų | 51 | 133.4 Ų | 133.4 | 53% | 0.526 | 76% | 0.759 | S | S | . | * | | | trans | -155.8 | 164.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R49 | G45-R49 WeakPolarHBondContact CA-O 3.49Š|
| 46 | L | 91.8 | Very high | 85.2 | Confident | 134 Ų | 134 | 137.1 Ų | 137.1 | 70% | 0.702 | 78% | 0.778 | S | S | * | * | | | trans | -67.1 | 154.2 | 170.6 | -67.5 | 175.8 | 0 | 0 | 0 | 109 | A48 R49 | L46-A48 PolarHBondContact O-N 3.38Å; L46-A48 VanDerWaalsContact O-N 3.15Å; L46-R49 PolarHBondContact O-N 3.4Å; L46-R49 VanDerWaalsContact O-O 3.13Å |
| 47 | P | 75.7 | Confident | 85.4 | Confident | 129 Ų | 129 | 136 Ų | 136 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51 | 127 | 166.9 | -24 | 34 | 0 | 0 | 0 | 109.5 | | |
| 48 | A | 80.2 | Confident | 85.5 | Confident | 117 Ų | 117 | 140.3 Ų | 140.3 | 97% | 0.967 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74 | 21.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | L46 | L46-A48 PolarHBondContact O-N 3.38Å; L46-A48 VanDerWaalsContact O-N 3.15Å |
| 49 | R | 52 | Low | 85.3 | Confident | 251 Ų | 251 | 141.5 Ų | 141.5 | 95% | 0.947 | 79% | 0.787 | S | S | * | * | | | trans | -143.7 | 0 | 167 | -164.8 | 165.4 | -171.4 | 156.3 | 1.5 | 114.2 | G45 L46 | G45-R49 WeakPolarHBondContact CA-O 3.49Å; L46-R49 PolarHBondContact O-N 3.4Å; L46-R49 VanDerWaalsContact O-O 3.13Å |