| 1 | K | 44.7 | Very low | 62.8 | Low | 265 Ų | 265 | 158.2 Ų | 158.2 | 100% | 1.152 | 85% | 0.846 | S | S | * | * | | | | 0 | 114.2 | 0 | -80.1 | 178.4 | 179.5 | 176.3 | 0 | 105.8 | | |
| 2 | G | 52 | Low | 63.3 | Low | 74 Ų | 74 | 149.1 Ų | 149.1 | 76% | 0.763 | 82% | 0.817 | S | S | * | * | | | trans | -59.9 | 149.2 | -163.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 3 | D | 57.5 | Low | 64.1 | Low | 151 Ų | 151 | 145.8 Ų | 145.8 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -50.1 | 137.4 | -177.4 | -61.8 | -90.6 | 0 | 0 | 0 | 114.2 | | |
| 4 | K | 63.5 | Low | 64.4 | Low | 196 Ų | 196 | 145.6 Ų | 145.6 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | | | trans | 47.6 | 74.4 | 153.4 | -65.3 | 174.7 | -176.4 | 172.9 | 0 | 114.8 | G6 | K4-G6 VanDerWaalsContact O-N 3.15Å; K4-G6 PolarHBondContact O-N 2.78Å |
| 5 | A | 60.4 | Low | 65 | Low | 109 Ų | 109 | 146.7 Ų | 146.7 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -55.2 | 114.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 6 | G | 62.4 | Low | 65.3 | Low | 68 Ų | 68 | 146.3 Ų | 146.3 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | trans | 84.3 | 84.7 | 160 | 0 | 0 | 0 | 0 | 0 | 114.3 | K4 K8 | K4-G6 VanDerWaalsContact O-N 3.15Å; K4-G6 PolarHBondContact O-N 2.78Å; G6-K8 PolarHBondContact O-N 2.91Å |
| 7 | E | 65 | Low | 65.5 | Low | 186 Ų | 186 | 141.8 Ų | 141.8 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | | | trans | -39.3 | 130.5 | 155.2 | -81.4 | 165.2 | 85.9 | 0 | 0 | 110.8 | Q9 | E7-Q9 PolarHBondContact O-N 2.88Š|
| 8 | K | 70.6 | Confident | 65.7 | Low | 198 Ų | 198 | 143 Ų | 143 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | -53.6 | 127.9 | 174.7 | -64.6 | 177.4 | -179.2 | -178 | 0 | 108.2 | G6 Q10 | G6-K8 PolarHBondContact O-N 2.91Å; K8-Q10 PolarHBondContact O-N 3.26Å |
| 9 | Q | 71.2 | Confident | 65.9 | Low | 167 Ų | 167 | 141.8 Ų | 141.8 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | -50.5 | 112 | -176.8 | -62.1 | 175 | -75.8 | 0 | 0 | 110.6 | E7 N11 | E7-Q9 PolarHBondContact O-N 2.88Å; Q9-N11 PolarHBondContact O-N 2.81Å |
| 10 | Q | 73.2 | Confident | 66 | Low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | | | trans | -77.4 | 82.3 | 160.2 | -73.2 | -170.7 | -69.6 | 0 | 0 | 107.3 | K8 G12 | K8-Q10 PolarHBondContact O-N 3.26Å; Q10-G12 PolarHBondContact O-N 3.23Å |
| 11 | N | 70.4 | Confident | 65.9 | Low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | | | trans | -71 | 69.5 | 155.4 | -65.1 | -37.4 | 0 | 0 | 0 | 106.8 | Q9 D13 | Q9-N11 PolarHBondContact O-N 2.81Å; N11-D13 PolarHBondContact O-N 3.06Å |
| 12 | G | 68.6 | Low | 66.7 | Low | 49 Ų | 49 | 134 Ų | 134 | 51% | 0.505 | 74% | 0.74 | S | S | . | * | | | trans | -67.8 | 118.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | Q10 L14 | Q10-G12 PolarHBondContact O-N 3.23Å; G12-L14 PolarHBondContact O-N 3.17Å |
| 13 | D | 73.8 | Confident | 67.4 | Low | 107 Ų | 107 | 138.8 Ų | 138.8 | 57% | 0.572 | 74% | 0.74 | S | S | * | * | | | trans | -62.5 | 92.4 | 160.5 | -174.5 | 0.4 | 0 | 0 | 0 | 106.5 | N11 K15 | N11-D13 PolarHBondContact O-N 3.06Å; D13-K15 WeakPolarHBondContact OD2-CE 3.18Å; D13-K15 PolarHBondContact OD2-NZ 3.34Å; D13-K15 IonicContact OD2-NZ 3.41Å; D13-K15 WeakPolarHBondContact OD2-CD 3.19Å; D13-K15 PolarHBondContact OD1-N 2.79Å; D13-K15 WeakPolarHBondContact OD1-CG 3.3Å; D13-K15 PolarHBondContact O-N 2.8Å; D13-K15 HydrophobicContact CB-CG 4.4Å |
| 14 | L | 67.9 | Low | 68 | Low | 143 Ų | 143 | 139.6 Ų | 139.6 | 75% | 0.749 | 74% | 0.736 | S | S | * | * | | | trans | -72.5 | 59.2 | 171.6 | -66.9 | 175.9 | 0 | 0 | 0 | 108.4 | G12 D16 | G12-L14 PolarHBondContact O-N 3.17Å; L14-D16 PolarHBondContact O-N 2.95Å; L14-D16 VanDerWaalsContact O-N 3.08Å |
| 15 | K | 73.2 | Confident | 68.2 | Low | 162 Ų | 162 | 137.6 Ų | 137.6 | 70% | 0.704 | 74% | 0.735 | S | S | * | * | | | trans | -82.2 | 51.7 | 160.5 | 54 | -175.5 | 170.3 | -148.8 | 0 | 108.9 | D13 G17 | D13-K15 WeakPolarHBondContact OD2-CE 3.18Å; D13-K15 PolarHBondContact OD2-NZ 3.34Å; D13-K15 IonicContact OD2-NZ 3.41Å; D13-K15 WeakPolarHBondContact OD2-CD 3.19Å; D13-K15 PolarHBondContact OD1-N 2.79Å; D13-K15 WeakPolarHBondContact OD1-CG 3.3Å; D13-K15 PolarHBondContact O-N 2.8Å; D13-K15 HydrophobicContact CB-CG 4.4Å; K15-G17 VanDerWaalsContact C-N 3.33Å; K15-G17 PolarHBondContact O-N 2.99Å |
| 16 | D | 69.6 | Low | 68.4 | Low | 140 Ų | 140 | 139.8 Ų | 139.8 | 75% | 0.749 | 73% | 0.726 | S | S | * | * | | | trans | -70.5 | 97.8 | 166.9 | -72.5 | -31.3 | 0 | 0 | 0 | 107.4 | L14 | L14-D16 PolarHBondContact O-N 2.95Å; L14-D16 VanDerWaalsContact O-N 3.08Å |
| 17 | G | 69.3 | Low | 68.6 | Low | 70 Ų | 70 | 140.3 Ų | 140.3 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | | | trans | 71.9 | 65.8 | 136.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | K15 | K15-G17 VanDerWaalsContact C-N 3.33Å; K15-G17 PolarHBondContact O-N 2.99Å |
| 18 | K | 69.8 | Low | 68.6 | Low | 163 Ų | 163 | 137.7 Ų | 137.7 | 71% | 0.709 | 71% | 0.711 | S | S | * | * | | | trans | -113.9 | 79 | 137.3 | -144.5 | 177.1 | -149.3 | -57 | 0 | 109.4 | K20 D22 | K18-K20 PolarHBondContact O-N 3.37Å; K18-K20 VanDerWaalsContact O-N 3.17Å; K18-D22 IonicContact NZ-OD2 2.63Å; K18-D22 PolarHBondContact NZ-OD2 2.99Å |
| 19 | N | 69.1 | Low | 68.2 | Low | 121 Ų | 121 | 134.5 Ų | 134.5 | 65% | 0.647 | 71% | 0.709 | S | S | * | * | | | trans | -47.3 | 122.1 | 165.4 | -175.5 | -4.4 | 0 | 0 | 0 | 107.9 | A21 D22 | N19-A21 WeakPolarHBondContact ND2-CB 3.36Å; N19-A21 PolarHBondContact OD1-N 3.28Å; N19-A21 WeakPolarHBondContact OD1-CB 2.94Å; N19-A21 HydrophobicContact CB-CB 4.39Å; N19-A21 PolarHBondContact O-N 2.97Å; N19-D22 PolarHBondContact O-N 3.17Å |
| 20 | K | 67.4 | Low | 67.9 | Low | 197 Ų | 197 | 129.7 Ų | 129.7 | 86% | 0.857 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -63.7 | -2.2 | 175.4 | -71.3 | -162.7 | 178.8 | 179.1 | 0 | 112.7 | K18 D22 K23 | K18-K20 PolarHBondContact O-N 3.37Å; K18-K20 VanDerWaalsContact O-N 3.17Å; K20-D22 PolarHBondContact O-N 3.41Å; K20-K23 PolarHBondContact O-N 3.07Å |
| 21 | A | 64.5 | Low | 67.6 | Low | 61 Ų | 61 | 127 Ų | 127 | 50% | 0.504 | 70% | 0.695 | S | S | . | * | G | 310 helix | trans | -61.5 | -19.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N19 K23 | N19-A21 WeakPolarHBondContact ND2-CB 3.36Å; N19-A21 PolarHBondContact OD1-N 3.28Å; N19-A21 WeakPolarHBondContact OD1-CB 2.94Å; N19-A21 HydrophobicContact CB-CB 4.39Å; N19-A21 PolarHBondContact O-N 2.97Å; A21-K23 PolarHBondContact O-N 3.33Å; A21-K23 VanDerWaalsContact O-N 3.07Å |
| 22 | D | 61.9 | Low | 67.3 | Low | 127 Ų | 127 | 128.8 Ų | 128.8 | 68% | 0.679 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -67.7 | -3.3 | 175.4 | -110.1 | 3.7 | 0 | 0 | 0 | 114.5 | K18 N19 K20 | K18-D22 IonicContact NZ-OD2 2.63Å; K18-D22 PolarHBondContact NZ-OD2 2.99Å; N19-D22 PolarHBondContact O-N 3.17Å; K20-D22 PolarHBondContact O-N 3.41Å |
| 23 | K | 65.8 | Low | 67.2 | Low | 174 Ų | 174 | 132.3 Ų | 132.3 | 76% | 0.757 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -136.7 | 41.7 | -178.7 | -75.1 | -168.6 | 175.5 | 178.5 | 0 | 113.7 | K20 A21 | K20-K23 PolarHBondContact O-N 3.07Å; A21-K23 PolarHBondContact O-N 3.33Å; A21-K23 VanDerWaalsContact O-N 3.07Å |
| 24 | K | 69.9 | Low | 67 | Low | 167 Ų | 167 | 135.9 Ų | 135.9 | 73% | 0.726 | 73% | 0.726 | S | S | * | * | | | trans | -140.9 | 39.2 | 168.8 | -113.2 | -178.1 | -152 | -73.9 | 0 | 115.6 | H26 | K24-H26 PolarHBondContact O-N 2.63Š|
| 25 | D | 67.5 | Low | 67 | Low | 155 Ų | 155 | 137.9 Ų | 137.9 | 83% | 0.829 | 73% | 0.729 | S | S | * | * | | | trans | -87.2 | 68.9 | 138.3 | -78.7 | -27.4 | 0 | 0 | 0 | 107.9 | S27 | D25-S27 PolarHBondContact O-N 3.08Š|
| 26 | H | 66.1 | Low | 66.6 | Low | 154 Ų | 154 | 134.4 Ų | 134.4 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | | | trans | -74.5 | 69.9 | 150.4 | -77 | -83.1 | 0 | 0 | 0 | 105.6 | K24 N28 | K24-H26 PolarHBondContact O-N 2.63Å; H26-N28 PolarHBondContact O-N 3.31Å |
| 27 | S | 66 | Low | 66.6 | Low | 80 Ų | 80 | 134.6 Ų | 134.6 | 56% | 0.559 | 73% | 0.732 | S | S | * | * | | | trans | -54.5 | 100.6 | 160.5 | -47.7 | 0 | 0 | 0 | 0 | 104.4 | D25 T29 | D25-S27 PolarHBondContact O-N 3.08Å; S27-T29 WeakPolarHBondContact CB-OG1 3.11Å; S27-T29 PolarHBondContact O-N 2.82Å |
| 28 | N | 65.4 | Low | 66.4 | Low | 130 Ų | 130 | 138 Ų | 138 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | | | trans | -71 | 59.3 | 165.1 | 178.4 | 21.1 | 0 | 0 | 0 | 107 | H26 G30 | H26-N28 PolarHBondContact O-N 3.31Å; N28-G30 PolarHBondContact O-N 2.82Å; N28-G30 VanDerWaalsContact O-N 3.17Å |
| 29 | T | 62.5 | Low | 66.4 | Low | 132 Ų | 132 | 135.6 Ų | 135.6 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 34.1 | 170.4 | -27.5 | 0 | 0 | 0 | 0 | 108.9 | S27 | S27-T29 WeakPolarHBondContact CB-OG1 3.11Å; S27-T29 PolarHBondContact O-N 2.82Å |
| 30 | G | 62.9 | Low | 66.1 | Low | 65 Ų | 65 | 138.7 Ų | 138.7 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.7 | 5.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | N28 | N28-G30 PolarHBondContact O-N 2.82Å; N28-G30 VanDerWaalsContact O-N 3.17Å |
| 31 | N | 67 | Low | 65.3 | Low | 130 Ų | 130 | 141.7 Ų | 141.7 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -130.8 | 44.8 | 179 | -162.1 | 59.5 | 0 | 0 | 0 | 113.8 | | |
| 32 | E | 64.9 | Low | 65.4 | Low | 178 Ų | 178 | 145.7 Ų | 145.7 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -136.5 | 17.1 | 165.4 | -69.8 | -174.8 | -178.5 | 0 | 0 | 113.6 | K34 | E32-K34 PolarHBondContact O-N 3.47Š|
| 33 | S | 65.9 | Low | 65.6 | Low | 122 Ų | 122 | 146.7 Ų | 146.7 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | | | trans | -72.9 | 68.1 | 155.3 | -64.5 | 0 | 0 | 0 | 0 | 108.1 | K35 | S33-K35 PolarHBondContact O-N 3.35Š|
| 34 | K | 69.6 | Low | 65.5 | Low | 182 Ų | 182 | 145.2 Ų | 145.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -36.3 | 116 | 155 | 55.2 | -165.2 | 176.8 | -178.6 | 0 | 106.7 | E32 A36 | E32-K34 PolarHBondContact O-N 3.47Å; K34-A36 PolarHBondContact O-N 3.02Å |
| 35 | K | 67.8 | Low | 65.3 | Low | 186 Ų | 186 | 143.9 Ų | 143.9 | 81% | 0.809 | 78% | 0.784 | S | S | * | * | | | trans | -52.4 | 96.8 | 157.1 | -64.4 | -82.2 | -172.8 | 179.1 | 0 | 104.4 | S33 D37 | S33-K35 PolarHBondContact O-N 3.35Å; K35-D37 VanDerWaalsContact C-N 3.27Å; K35-D37 PolarHBondContact O-N 3.03Å |
| 36 | A | 65.4 | Low | 65.1 | Low | 89 Ų | 89 | 143.2 Ų | 143.2 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | | | trans | -73 | 104.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 102.1 | K34 D38 | K34-A36 PolarHBondContact O-N 3.02Å; A36-D38 PolarHBondContact O-N 3.25Å |
| 37 | D | 70.2 | Confident | 65.1 | Low | 144 Ų | 144 | 142.5 Ų | 142.5 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | | | trans | -47.1 | 127.9 | 165.4 | -69.2 | -60.1 | 0 | 0 | 0 | 107.1 | K35 P39 | K35-D37 VanDerWaalsContact C-N 3.27Å; K35-D37 PolarHBondContact O-N 3.03Å; D37-P39 VanDerWaalsContact O-CD 3.3Å; D37-P39 WeakPolarHBondContact O-CD 3.49Å; D37-P39 VanDerWaalsContact O-N 3.13Å |
| 38 | D | 65.3 | Low | 65 | Low | 140 Ų | 140 | 146.9 Ų | 146.9 | 75% | 0.749 | 80% | 0.802 | S | S | * | * | | | trans | -46.4 | 113.4 | 173.9 | -169 | 15.1 | 0 | 0 | 0 | 108.6 | A36 E40 | A36-D38 PolarHBondContact O-N 3.25Å; D38-E40 PolarHBondContact O-N 3.15Å |
| 39 | P | 68.7 | Low | 65 | Low | 114 Ų | 114 | 148.2 Ų | 148.2 | 74% | 0.74 | 81% | 0.81 | S | S | * | * | | | trans | -73.1 | 92.8 | 164.6 | 30.3 | -26.3 | 0 | 0 | 0 | 105.4 | D37 E41 | D37-P39 VanDerWaalsContact O-CD 3.3Å; D37-P39 WeakPolarHBondContact O-CD 3.49Å; D37-P39 VanDerWaalsContact O-N 3.13Å; P39-E41 PolarHBondContact O-N 2.84Å |
| 40 | E | 62.6 | Low | 65.2 | Low | 185 Ų | 185 | 149.6 Ų | 149.6 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | | | trans | -61.3 | 87.7 | 160.9 | -164.6 | 178.9 | -143.3 | 0 | 0 | 107.3 | D38 | D38-E40 PolarHBondContact O-N 3.15Š|
| 41 | E | 52.1 | Low | 65.4 | Low | 260 Ų | 260 | 157.3 Ų | 157.3 | 100% | 1.215 | 82% | 0.823 | S | S | * | * | | | trans | -159.2 | 0 | 155.9 | -145.2 | -179.1 | -178.2 | 0 | 0 | 112.6 | P39 | P39-E41 PolarHBondContact O-N 2.84Š|