| 1 | M | 51.4 | Low | 61.1 | Low | 247 Ų | 247 | 159.5 Ų | 159.5 | 100% | 1.217 | 81% | 0.812 | S | S | * | * | | | | 0 | 106.5 | 0 | -63.4 | 170.7 | 73.8 | 0 | 0 | 107.6 | | |
| 2 | R | 60.6 | Low | 61.5 | Low | 256 Ų | 256 | 157.7 Ų | 157.7 | 97% | 0.966 | 80% | 0.803 | S | S | * | * | | | trans | -107.4 | 119.4 | 177 | -96.7 | -175.4 | 169.2 | 137.4 | -1.6 | 108.3 | | |
| 3 | S | 53.8 | Low | 61.9 | Low | 106 Ų | 106 | 160.5 Ų | 160.5 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | trans | -61.7 | 126.2 | -176.4 | -174.2 | 0 | 0 | 0 | 0 | 111.2 | Q5 | S3-Q5 PolarHBondContact O-N 3.14Š|
| 4 | S | 62.8 | Low | 61.7 | Low | 93 Ų | 93 | 158.6 Ų | 158.6 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | | | trans | -72.3 | 112.8 | 166.6 | -179 | 0 | 0 | 0 | 0 | 108.2 | | |
| 5 | Q | 69.3 | Low | 61.8 | Low | 174 Ų | 174 | 156 Ų | 156 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | trans | -99.9 | 103.9 | 163.2 | -74.5 | -178.2 | -10.6 | 0 | 0 | 107.1 | S3 P7 | S3-Q5 PolarHBondContact O-N 3.14Å; Q5-P7 WeakPolarHBondContact O-CD 3.39Å |
| 6 | Q | 69.6 | Low | 61.3 | Low | 161 Ų | 161 | 153 Ų | 153 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 121.4 | 166.6 | -68.8 | -79.4 | -40.5 | 0 | 0 | 107.9 | A8 | Q6-A8 PolarHBondContact O-N 3.27Š|
| 7 | P | 61 | Low | 61.3 | Low | 97 Ų | 97 | 150.1 Ų | 150.1 | 63% | 0.63 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 118.3 | 163.3 | 27 | -28.7 | 0 | 0 | 0 | 108.9 | Q5 F9 | Q5-P7 WeakPolarHBondContact O-CD 3.39Å; P7-F9 PolarHBondContact O-N 3.37Å |
| 8 | A | 65.8 | Low | 60.9 | Low | 82 Ų | 82 | 148.2 Ų | 148.2 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 120.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q6 N10 | Q6-A8 PolarHBondContact O-N 3.27Å; A8-N10 VanDerWaalsContact O-N 3.16Å; A8-N10 PolarHBondContact O-OD1 2.82Å; A8-N10 PolarHBondContact O-N 2.85Å |
| 9 | F | 62.4 | Low | 60.8 | Low | 198 Ų | 198 | 149.8 Ų | 149.8 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | | | trans | -74.6 | 104.9 | 173 | -67.7 | -82.9 | 0 | 0 | 0 | 109.2 | P7 K11 | P7-F9 PolarHBondContact O-N 3.37Å; F9-K11 PolarHBondContact O-N 3.38Å; F9-K11 VanDerWaalsContact O-N 3.14Å |
| 10 | N | 60.4 | Low | 60.4 | Low | 137 Ų | 137 | 148.6 Ų | 148.6 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | | | trans | -67.6 | 109 | 175.1 | -51.3 | -27.2 | 0 | 0 | 0 | 108.8 | A8 I12 | A8-N10 VanDerWaalsContact O-N 3.16Å; A8-N10 PolarHBondContact O-OD1 2.82Å; A8-N10 PolarHBondContact O-N 2.85Å; N10-I12 PolarHBondContact O-N 3.32Å |
| 11 | K | 55.1 | Low | 60 | Low | 204 Ų | 204 | 146.9 Ų | 146.9 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | | | trans | -73.2 | 94.2 | 176.7 | -170.4 | -179 | -177.8 | -174.8 | 0 | 109.8 | F9 K13 | F9-K11 PolarHBondContact O-N 3.38Å; F9-K11 VanDerWaalsContact O-N 3.14Å; K11-K13 PolarHBondContact O-N 3.14Å |
| 12 | I | 65.8 | Low | 60.4 | Low | 137 Ų | 137 | 138.4 Ų | 138.4 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | | | trans | -77.9 | 113.7 | 174.4 | -54.9 | 155.4 | 0 | 0 | 0 | 108 | N10 N14 | N10-I12 PolarHBondContact O-N 3.32Å; I12-N14 PolarHBondContact O-N 3.42Å |
| 13 | K | 66.7 | Low | 60.3 | Low | 195 Ų | 195 | 134.6 Ų | 134.6 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | | | trans | -89.6 | 88.7 | 172.4 | 53.7 | -175.8 | -176.8 | -175.8 | 0 | 109.2 | K11 | K11-K13 PolarHBondContact O-N 3.14Š|
| 14 | N | 59.8 | Low | 60.6 | Low | 133 Ų | 133 | 137.1 Ų | 137.1 | 71% | 0.711 | 74% | 0.744 | S | S | * | * | | | trans | -90.9 | 102.1 | 167.8 | -80.5 | -35.7 | 0 | 0 | 0 | 109.1 | I12 V16 | I12-N14 PolarHBondContact O-N 3.42Å; N14-V16 HydrophobicContact CB-CG2 4.44Å; N14-V16 PolarHBondContact O-N 2.95Å |
| 15 | S | 62 | Low | 60.5 | Low | 120 Ų | 120 | 142.6 Ų | 142.6 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | trans | -77.4 | 92.6 | 164.6 | 52.4 | 0 | 0 | 0 | 0 | 108.5 | S17 | S15-S17 PolarHBondContact O-N 2.77Š|
| 16 | V | 53.6 | Low | 60.1 | Low | 108 Ų | 108 | 141.3 Ų | 141.3 | 66% | 0.655 | 75% | 0.754 | S | S | * | * | | | trans | -87.5 | 100.8 | 172.2 | 176 | 0 | 0 | 0 | 0 | 108.2 | N14 T18 | N14-V16 HydrophobicContact CB-CG2 4.44Å; N14-V16 PolarHBondContact O-N 2.95Å; V16-T18 HydrophobicContact CG1-CG2 3.84Å; V16-T18 PolarHBondContact O-N 3.03Å |
| 17 | S | 61.6 | Low | 59.8 | Low | 104 Ų | 104 | 138.7 Ų | 138.7 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | | | trans | -85.7 | 85.8 | 168 | 167.6 | 0 | 0 | 0 | 0 | 109.1 | S15 K19 | S15-S17 PolarHBondContact O-N 2.77Å; S17-K19 PolarHBondContact O-N 3.29Å |
| 18 | T | 54 | Low | 59.8 | Low | 116 Ų | 116 | 139.9 Ų | 139.9 | 71% | 0.712 | 76% | 0.759 | S | S | * | * | | | trans | -90 | 90.1 | 166.9 | 34.8 | 0 | 0 | 0 | 0 | 109.2 | V16 P20 | V16-T18 HydrophobicContact CG1-CG2 3.84Å; V16-T18 PolarHBondContact O-N 3.03Å; T18-P20 WeakPolarHBondContact O-CD 3.45Å |
| 19 | K | 60.1 | Low | 59.5 | Low | 179 Ų | 179 | 143.2 Ų | 143.2 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | | | trans | -59.5 | 120.1 | 156.8 | -72.3 | -84.3 | 178.5 | 172.3 | 0 | 106.4 | S17 N21 | S17-K19 PolarHBondContact O-N 3.29Å; K19-N21 PolarHBondContact O-N 3.16Å |
| 20 | P | 52 | Low | 59.1 | Low | 124 Ų | 124 | 138.8 Ų | 138.8 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | | | trans | -71.6 | 91.3 | 168.5 | 29.4 | -30.5 | 0 | 0 | 0 | 106.6 | T18 G22 | T18-P20 WeakPolarHBondContact O-CD 3.45Å; P20-G22 PolarHBondContact O-N 3.06Å |
| 21 | N | 52.2 | Low | 59.1 | Low | 114 Ų | 114 | 137.6 Ų | 137.6 | 61% | 0.61 | 76% | 0.762 | S | S | * | * | | | trans | -68.3 | 102.8 | 167.1 | -166.9 | -3.8 | 0 | 0 | 0 | 106.4 | K19 Y23 | K19-N21 PolarHBondContact O-N 3.16Å; N21-Y23 HydrophobicContact CB-CD2 4.37Å; N21-Y23 HydrophobicContact CB-CE2 4.49Å; N21-Y23 WeakPolarHBondContact ND2-CE2 3.49Å; N21-Y23 PolarHBondContact O-N 3.35Å; N21-Y23 WeakPolarHBondContact OD1-CE2 3.33Å |
| 22 | G | 60 | Low | 59.4 | Low | 68 Ų | 68 | 134.6 Ų | 134.6 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | trans | -71.6 | 62.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P20 L24 | P20-G22 PolarHBondContact O-N 3.06Å; G22-L24 PolarHBondContact O-N 3.22Å |
| 23 | Y | 59.1 | Low | 58.9 | Low | 176 Ų | 176 | 132.3 Ų | 132.3 | 69% | 0.69 | 75% | 0.749 | S | S | * | * | | | trans | -81.4 | 101 | 163.6 | -69.7 | -63.3 | 0 | 0 | 0 | 108.2 | N21 F25 | N21-Y23 HydrophobicContact CB-CD2 4.37Å; N21-Y23 HydrophobicContact CB-CE2 4.49Å; N21-Y23 WeakPolarHBondContact ND2-CE2 3.49Å; N21-Y23 PolarHBondContact O-N 3.35Å; N21-Y23 WeakPolarHBondContact OD1-CE2 3.33Å; Y23-F25 VanDerWaalsContact O-N 3.11Å; Y23-F25 PolarHBondContact O-N 3.44Å |
| 24 | L | 60.3 | Low | 58.7 | Low | 159 Ų | 159 | 131.3 Ų | 131.3 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | trans | -53.6 | 114 | 166.2 | -63.8 | 169.6 | 0 | 0 | 0 | 107.6 | G22 L26 | G22-L24 PolarHBondContact O-N 3.22Å; L24-L26 VanDerWaalsContact C-N 3.26Å; L24-L26 PolarHBondContact O-N 3.35Å |
| 25 | F | 59.2 | Low | 58.9 | Low | 209 Ų | 209 | 136 Ų | 136 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | | | trans | -67.3 | 86.3 | 173.7 | -75 | -87.8 | 0 | 0 | 0 | 109 | Y23 | Y23-F25 VanDerWaalsContact O-N 3.11Å; Y23-F25 PolarHBondContact O-N 3.44Å |
| 26 | L | 62.1 | Low | 58.9 | Low | 146 Ų | 146 | 135.4 Ų | 135.4 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | | | trans | -77.2 | 129.4 | 162.5 | -68.9 | 172.2 | 0 | 0 | 0 | 108 | L24 | L24-L26 VanDerWaalsContact C-N 3.26Å; L24-L26 PolarHBondContact O-N 3.35Å |
| 27 | P | 62.7 | Low | 59.4 | Low | 107 Ų | 107 | 137.7 Ų | 137.7 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | | | trans | -57.5 | 129.2 | 176.2 | -22.3 | 32 | 0 | 0 | 0 | 110.4 | N29 | P27-N29 PolarHBondContact O-N 2.83Š|
| 28 | P | 60.8 | Low | 59.8 | Low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -70.3 | 5.2 | -168.8 | -21.1 | 32.1 | 0 | 0 | 0 | 117.3 | | |
| 29 | N | 59 | Low | 60.9 | Low | 152 Ų | 152 | 138.3 Ų | 138.3 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | | | trans | -155.2 | 81.9 | -177.8 | -63.1 | -68.8 | 0 | 0 | 0 | 111.6 | P27 | P27-N29 PolarHBondContact O-N 2.83Š|
| 30 | S | 53.6 | Low | 61.8 | Low | 106 Ų | 106 | 137.3 Ų | 137.3 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | | | trans | -91.3 | 93.8 | 158.6 | 63.5 | 0 | 0 | 0 | 0 | 108.3 | L32 | S30-L32 PolarHBondContact O-N 3.29Å; S30-L32 VanDerWaalsContact O-N 3.09Å |
| 31 | S | 61.3 | Low | 63.2 | Low | 112 Ų | 112 | 137.1 Ų | 137.1 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | | | trans | -65.8 | 107.7 | 162.3 | 61.5 | 0 | 0 | 0 | 0 | 107 | P33 | S31-P33 WeakPolarHBondContact O-CD 3.1Š|
| 32 | L | 62.2 | Low | 64.6 | Low | 140 Ų | 140 | 137.7 Ų | 137.7 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | trans | -58.1 | 114.6 | 172.9 | -73.2 | 156 | 0 | 0 | 0 | 108.2 | S30 I36 | S30-L32 PolarHBondContact O-N 3.29Å; S30-L32 VanDerWaalsContact O-N 3.09Å; L32-I36 HydrophobicContact CG-CD1 4.29Å; L32-I36 HydrophobicContact CD2-CG1 4.47Å; L32-I36 HydrophobicContact CD2-CD1 3.25Å; L32-I36 HydrophobicContact CB-CD1 4.13Å |
| 33 | P | 54.7 | Low | 65.6 | Low | 90 Ų | 90 | 141.5 Ų | 141.5 | 58% | 0.584 | 75% | 0.747 | S | S | * | * | | | trans | -72.6 | 132.1 | 158.9 | 30.1 | -24.4 | 0 | 0 | 0 | 106.6 | S31 R35 I36 | S31-P33 WeakPolarHBondContact O-CD 3.1Å; P33-R35 PolarHBondContact O-N 3.41Å; P33-I36 WeakPolarHBondContact O-CD1 3.07Å |
| 34 | D | 62.5 | Low | 66.7 | Low | 173 Ų | 173 | 137.8 Ų | 137.8 | 93% | 0.925 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -64.1 | 32.8 | -178.9 | -171.5 | 33 | 0 | 0 | 0 | 114.1 | | |
| 35 | R | 64.3 | Low | 67.6 | Low | 232 Ų | 232 | 135.1 Ų | 135.1 | 88% | 0.875 | 74% | 0.735 | S | S | * | * | | | trans | -149.2 | 41.1 | -179.4 | -149 | 178.1 | -176.9 | 171.2 | 1.4 | 111.7 | P33 E37 | P33-R35 PolarHBondContact O-N 3.41Å; R35-E37 PolarHBondContact O-N 3.38Å |
| 36 | I | 61.1 | Low | 68.7 | Low | 107 Ų | 107 | 130.3 Ų | 130.3 | 55% | 0.549 | 73% | 0.725 | S | S | . | * | | | trans | -69.4 | 90.3 | 168.7 | -62.5 | 123.8 | 0 | 0 | 0 | 106.9 | L32 P33 S38 | L32-I36 HydrophobicContact CG-CD1 4.29Å; L32-I36 HydrophobicContact CD2-CG1 4.47Å; L32-I36 HydrophobicContact CD2-CD1 3.25Å; L32-I36 HydrophobicContact CB-CD1 4.13Å; P33-I36 WeakPolarHBondContact O-CD1 3.07Å; I36-S38 PolarHBondContact O-N 2.87Å |
| 37 | E | 64.1 | Low | 69.5 | Low | 156 Ų | 156 | 128.6 Ų | 128.6 | 73% | 0.729 | 73% | 0.731 | S | S | * | * | | | trans | -51.3 | 122.1 | 148.5 | -176.3 | 174.1 | -175.1 | 0 | 0 | 106 | R35 M39 | R35-E37 PolarHBondContact O-N 3.38Å; E37-M39 HydrophobicContact CG-CG 4.37Å; E37-M39 PolarHBondContact O-N 2.58Å |
| 38 | S | 71.4 | Confident | 70.1 | Confident | 101 Ų | 101 | 133.5 Ų | 133.5 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | trans | -65.8 | 76.1 | 177.7 | 179.6 | 0 | 0 | 0 | 0 | 108.4 | I36 D40 | I36-S38 PolarHBondContact O-N 2.87Å; S38-D40 PolarHBondContact O-N 3.23Å |
| 39 | M | 76.9 | Confident | 71 | Confident | 133 Ų | 133 | 137.1 Ų | 137.1 | 66% | 0.655 | 74% | 0.74 | S | S | * | * | | | trans | -74.2 | 122.9 | 170.8 | -63.7 | -161.3 | -44.1 | 0 | 0 | 107.3 | E37 I41 | E37-M39 HydrophobicContact CG-CG 4.37Å; E37-M39 PolarHBondContact O-N 2.58Å; M39-I41 VanDerWaalsContact C-N 3.34Å; M39-I41 PolarHBondContact O-N 3.04Å |
| 40 | D | 79.4 | Confident | 71.4 | Confident | 157 Ų | 157 | 135 Ų | 135 | 84% | 0.84 | 73% | 0.734 | S | S | * | * | | | trans | -66.3 | 97.9 | 167.8 | -68 | -36.8 | 0 | 0 | 0 | 107.7 | S38 | S38-D40 PolarHBondContact O-N 3.23Š|
| 41 | I | 81.1 | Confident | 72.2 | Confident | 120 Ų | 120 | 138.9 Ų | 138.9 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | | | trans | -82.2 | 117.7 | 173.5 | -59.7 | 166.9 | 0 | 0 | 0 | 106.5 | M39 L43 | M39-I41 VanDerWaalsContact C-N 3.34Å; M39-I41 PolarHBondContact O-N 3.04Å; I41-L43 PolarHBondContact O-N 2.58Å; I41-L43 HydrophobicContact CG2-CD2 3.88Å; I41-L43 HydrophobicContact CB-CD2 4.37Å |
| 42 | D | 80.8 | Confident | 72.4 | Confident | 126 Ų | 126 | 141.1 Ų | 141.1 | 67% | 0.674 | 74% | 0.74 | S | S | * | * | | | trans | -65.8 | 105 | 169.1 | -176.8 | 10.4 | 0 | 0 | 0 | 108.9 | T44 | D42-T44 PolarHBondContact O-N 2.89Å; D42-T44 PolarHBondContact OD1-OG1 2.81Å; D42-T44 WeakPolarHBondContact OD1-CB 3.36Å; D42-T44 PolarHBondContact OD1-N 3.37Å |
| 43 | L | 80.3 | Confident | 72.5 | Confident | 148 Ų | 148 | 138 Ų | 138 | 78% | 0.775 | 73% | 0.73 | S | S | * | * | | | trans | -81.2 | 4.7 | 178 | -60.3 | -179.8 | 0 | 0 | 0 | 112.2 | I41 P45 | I41-L43 PolarHBondContact O-N 2.58Å; I41-L43 HydrophobicContact CG2-CD2 3.88Å; I41-L43 HydrophobicContact CB-CD2 4.37Å; L43-P45 WeakPolarHBondContact O-CD 3.03Å |
| 44 | T | 83.3 | Confident | 73.1 | Confident | 98 Ų | 98 | 138.5 Ų | 138.5 | 60% | 0.601 | 74% | 0.742 | S | S | * | * | | | trans | -62.2 | 110.5 | -178.4 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | D42 | D42-T44 PolarHBondContact O-N 2.89Å; D42-T44 PolarHBondContact OD1-OG1 2.81Å; D42-T44 WeakPolarHBondContact OD1-CB 3.36Å; D42-T44 PolarHBondContact OD1-N 3.37Å |
| 45 | P | 78.4 | Confident | 73.6 | Confident | 103 Ų | 103 | 132.2 Ų | 132.2 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | | | trans | -64.5 | 138.5 | 174.8 | 28.2 | -32.3 | 0 | 0 | 0 | 108 | L43 A47 | L43-P45 WeakPolarHBondContact O-CD 3.03Å; P45-A47 PolarHBondContact O-N 3.14Å |
| 46 | P | 82.1 | Confident | 74.3 | Confident | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 72% | 0.715 | S | S | * | * | | | trans | -55.5 | 134.1 | -178.1 | 20 | -31 | 0 | 0 | 0 | 110.1 | R48 | P46-R48 WeakPolarHBondContact O-CG 3.16Å; P46-R48 PolarHBondContact O-N 3.09Å |
| 47 | A | 80.2 | Confident | 75.2 | Confident | 109 Ų | 109 | 127.3 Ų | 127.3 | 90% | 0.901 | 73% | 0.726 | S | S | * | * | | | trans | -64.1 | 94.7 | 180 | 0 | 0 | 0 | 0 | 0 | 109.9 | P45 | P45-A47 PolarHBondContact O-N 3.14Š|
| 48 | R | 75.6 | Confident | 76.1 | Confident | 211 Ų | 211 | 131.3 Ų | 131.3 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 126.4 | 173.3 | -60.7 | -174.9 | -71.1 | 107 | -4.5 | 107.6 | P46 P50 | P46-R48 WeakPolarHBondContact O-CG 3.16Å; P46-R48 PolarHBondContact O-N 3.09Å; R48-P50 WeakPolarHBondContact O-CD 3.18Å |
| 49 | K | 77.8 | Confident | 76.7 | Confident | 197 Ų | 197 | 133.6 Ų | 133.6 | 86% | 0.857 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 128.5 | 166.4 | -72.6 | -161.2 | 175.5 | -177.8 | 0 | 107.6 | E51 | K49-E51 PolarHBondContact O-N 2.81Š|
| 50 | P | 69.4 | Low | 76.8 | Confident | 107 Ų | 107 | 132.2 Ų | 132.2 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 117.7 | 168.1 | -20.7 | 31.8 | 0 | 0 | 0 | 106.9 | R48 M52 | R48-P50 WeakPolarHBondContact O-CD 3.18Å; P50-M52 PolarHBondContact O-N 3.26Å |
| 51 | E | 69.4 | Low | 77.2 | Confident | 188 Ų | 188 | 131 Ų | 131 | 88% | 0.879 | 74% | 0.738 | S | S | * | * | | | trans | -64 | 90.1 | 169.6 | -174 | -177 | 149.1 | 0 | 0 | 106.6 | K49 S53 | K49-E51 PolarHBondContact O-N 2.81Å; E51-S53 PolarHBondContact O-N 3.28Å |
| 52 | M | 65.4 | Low | 77.2 | Confident | 159 Ų | 159 | 132.6 Ų | 132.6 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | trans | -79.2 | 80.6 | -179.4 | -164.6 | 89.2 | 71.6 | 0 | 0 | 107.4 | P50 A54 | P50-M52 PolarHBondContact O-N 3.26Å; M52-A54 PolarHBondContact O-N 3.11Å; M52-A54 HydrophobicContact CG-CB 4.28Å |
| 53 | S | 64.9 | Low | 77.3 | Confident | 75 Ų | 75 | 131 Ų | 131 | 52% | 0.524 | 75% | 0.745 | S | S | . | * | | | trans | -67.6 | 76.8 | 160.8 | 170 | 0 | 0 | 0 | 0 | 107.9 | E51 G55 | E51-S53 PolarHBondContact O-N 3.28Å; S53-G55 PolarHBondContact O-N 3Å; S53-G55 PolarHBondContact OG-O 2.94Å |
| 54 | A | 65.7 | Low | 77.4 | Confident | 99 Ų | 99 | 129 Ų | 129 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | trans | -72.1 | 73.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | M52 | M52-A54 PolarHBondContact O-N 3.11Å; M52-A54 HydrophobicContact CG-CB 4.28Å |
| 55 | G | 74.1 | Confident | 77.3 | Confident | 42 Ų | 42 | 128.8 Ų | 128.8 | 43% | 0.433 | 74% | 0.741 | S | S | . | * | S | Bend | trans | 164.5 | 166.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113 | S53 | S53-G55 PolarHBondContact O-N 3Å; S53-G55 PolarHBondContact OG-O 2.94Å |
| 56 | P | 78.6 | Confident | 77.2 | Confident | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -53.3 | 147.6 | 173.5 | -22.7 | 32.9 | 0 | 0 | 0 | 111.7 | R58 | P56-R58 PolarHBondContact O-N 3.41Å; P56-R58 VanDerWaalsContact O-N 3.14Å |
| 57 | S | 79.8 | Confident | 77.2 | Confident | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 122.7 | 176.7 | -78.8 | 0 | 0 | 0 | 0 | 111.4 | I59 | S57-I59 PolarHBondContact O-N 2.97Š|
| 58 | R | 83.3 | Confident | 76.8 | Confident | 241 Ų | 241 | 130.9 Ų | 130.9 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 119.8 | 171.2 | -62.4 | 178.5 | 72.4 | -166.5 | 3.1 | 108.1 | P56 | P56-R58 PolarHBondContact O-N 3.41Å; P56-R58 VanDerWaalsContact O-N 3.14Å |
| 59 | I | 83.9 | Confident | 76.7 | Confident | 148 Ų | 148 | 129 Ų | 129 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | | | trans | -98.4 | 114.6 | 173.4 | -57.3 | 172.5 | 0 | 0 | 0 | 107 | S57 V61 | S57-I59 PolarHBondContact O-N 2.97Å; I59-V61 HydrophobicContact CG2-CG2 4.27Å |
| 60 | S | 79.8 | Confident | 76.5 | Confident | 104 Ų | 104 | 128 Ų | 128 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | | | trans | -84.3 | 131.4 | 166.8 | 52.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 61 | V | 86.6 | Confident | 76.6 | Confident | 131 Ų | 131 | 126.1 Ų | 126.1 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | | | trans | -112.8 | 118.9 | 174.2 | -169.9 | 0 | 0 | 0 | 0 | 107.1 | I59 | I59-V61 HydrophobicContact CG2-CG2 4.27Š|
| 62 | I | 82.4 | Confident | 76.9 | Confident | 155 Ų | 155 | 122.4 Ų | 122.4 | 80% | 0.795 | 72% | 0.723 | S | S | * | * | | | trans | -111.1 | 108.8 | 174.1 | -56.7 | 170.2 | 0 | 0 | 0 | 106.1 | | |
| 63 | S | 83.2 | Confident | 77.2 | Confident | 91 Ų | 91 | 120.7 Ų | 120.7 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -69 | 143.2 | 173.8 | 42.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 64 | P | 81.3 | Confident | 77.6 | Confident | 107 Ų | 107 | 123.4 Ų | 123.4 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 156.3 | 171.7 | 26.3 | -32.1 | 0 | 0 | 0 | 110.4 | Q66 | P64-Q66 PolarHBondContact O-N 3.17Š|
| 65 | P | 80.8 | Confident | 77.9 | Confident | 94 Ų | 94 | 124.1 Ų | 124.1 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 126.9 | 175.9 | -23.9 | 33.4 | 0 | 0 | 0 | 110.8 | D67 G68 | P65-D67 PolarHBondContact O-N 2.86Å; P65-D67 VanDerWaalsContact O-N 3.09Å; P65-G68 PolarHBondContact O-N 2.71Å; P65-G68 VanDerWaalsContact O-N 3.14Å |
| 66 | Q | 77.3 | Confident | 77.7 | Confident | 185 Ų | 185 | 133.2 Ų | 133.2 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -27.8 | -170.5 | -71.2 | 177.4 | -32 | 0 | 0 | 114 | P64 | P64-Q66 PolarHBondContact O-N 3.17Š|
| 67 | D | 81.3 | Confident | 77.1 | Confident | 115 Ų | 115 | 129.4 Ų | 129.4 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | 11 | -175.6 | -49.5 | -43.1 | 0 | 0 | 0 | 113.3 | P65 R69 | P65-D67 PolarHBondContact O-N 2.86Å; P65-D67 VanDerWaalsContact O-N 3.09Å; D67-R69 HydrophobicContact CB-CG 4.42Å; D67-R69 PolarHBondContact O-N 3.48Å; D67-R69 IonicContact OD2-CZ 3.56Å; D67-R69 IonicContact OD2-NH1 2.58Å; D67-R69 PolarHBondContact OD2-NH1 3.42Å |
| 68 | G | 72.4 | Confident | 76.3 | Confident | 65 Ų | 65 | 130.4 Ų | 130.4 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | | | trans | 60.4 | 5.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | P65 M70 | P65-G68 PolarHBondContact O-N 2.71Å; P65-G68 VanDerWaalsContact O-N 3.14Å; G68-M70 PolarHBondContact O-N 2.98Å |
| 69 | R | 73.9 | Confident | 75.2 | Confident | 171 Ų | 171 | 126.7 Ų | 126.7 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | | | trans | -73.8 | 93 | -178.2 | 63.7 | -171.7 | -168.4 | -78.6 | 10.4 | 109.8 | D67 G71 | D67-R69 HydrophobicContact CB-CG 4.42Å; D67-R69 PolarHBondContact O-N 3.48Å; D67-R69 IonicContact OD2-CZ 3.56Å; D67-R69 IonicContact OD2-NH1 2.58Å; D67-R69 PolarHBondContact OD2-NH1 3.42Å; R69-G71 PolarHBondContact O-N 2.95Å |
| 70 | M | 72.4 | Confident | 73.8 | Confident | 177 Ų | 177 | 128.3 Ų | 128.3 | 87% | 0.872 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 121.2 | 156.5 | -83.9 | -150.1 | 53.6 | 0 | 0 | 107.4 | G68 S72 | G68-M70 PolarHBondContact O-N 2.98Å; M70-S72 PolarHBondContact O-N 3.03Å |
| 71 | G | 73.3 | Confident | 72.8 | Confident | 67 Ų | 67 | 130.4 Ų | 130.4 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 124.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | R69 V73 | R69-G71 PolarHBondContact O-N 2.95Å; G71-V73 PolarHBondContact O-N 3.21Å |
| 72 | S | 74.1 | Confident | 71.3 | Confident | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 125.9 | 180 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | M70 T74 | M70-S72 PolarHBondContact O-N 3.03Å; S72-T74 PolarHBondContact O-N 3.34Å |
| 73 | V | 73.4 | Confident | 69.8 | Low | 124 Ų | 124 | 129 Ų | 129 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | | | trans | -84.9 | 110.4 | 168.5 | -175.9 | 0 | 0 | 0 | 0 | 107.4 | G71 C75 | G71-V73 PolarHBondContact O-N 3.21Å; V73-C75 PolarHBondContact O-N 3.19Å; V73-C75 VanDerWaalsContact C-N 3.33Å |
| 74 | T | 72.6 | Confident | 68.3 | Low | 132 Ų | 132 | 130.3 Ų | 130.3 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | | | trans | -70.8 | 93.7 | 166.5 | 34.3 | 0 | 0 | 0 | 0 | 108.5 | S72 R76 | S72-T74 PolarHBondContact O-N 3.34Å; T74-R76 PolarHBondContact O-N 2.82Å |
| 75 | C | 71.6 | Confident | 66.9 | Low | 114 Ų | 114 | 131.9 Ų | 131.9 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | | | trans | -65.5 | 103.5 | 166.6 | -62.7 | 0 | 0 | 0 | 0 | 107.7 | V73 G77 | V73-C75 PolarHBondContact O-N 3.19Å; V73-C75 VanDerWaalsContact C-N 3.33Å; C75-G77 PolarHBondContact O-N 3.09Å |
| 76 | R | 69.6 | Low | 65.9 | Low | 233 Ų | 233 | 132.3 Ų | 132.3 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | | | trans | -72.7 | 72.9 | 169.2 | -159.5 | -172.6 | -170.6 | -141.6 | 4.1 | 108.3 | T74 | T74-R76 PolarHBondContact O-N 2.82Š|
| 77 | G | 65.9 | Low | 64.6 | Low | 45 Ų | 45 | 131.5 Ų | 131.5 | 46% | 0.464 | 75% | 0.753 | S | S | . | * | | | trans | -67.1 | 160.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | C75 Q79 | C75-G77 PolarHBondContact O-N 3.09Å; G77-Q79 PolarHBondContact O-N 2.88Å |
| 78 | P | 63.8 | Low | 63.3 | Low | 131 Ų | 131 | 130.2 Ų | 130.2 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | | | trans | -58.9 | 132.8 | 176.1 | -16.8 | 29.6 | 0 | 0 | 0 | 109.6 | H80 | P78-H80 PolarHBondContact O-N 2.71Š|
| 79 | Q | 59.4 | Low | 62.1 | Low | 163 Ų | 163 | 131.9 Ų | 131.9 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | -63.7 | 97.2 | 179.7 | -58.2 | 140.3 | 46 | 0 | 0 | 108.3 | G77 L81 | G77-Q79 PolarHBondContact O-N 2.88Å; Q79-L81 PolarHBondContact O-N 3.35Å; Q79-L81 VanDerWaalsContact O-N 3.14Å |
| 80 | H | 55.8 | Low | 60.7 | Low | 181 Ų | 181 | 132.1 Ų | 132.1 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | | | trans | -76.9 | 105.4 | 171.2 | -164 | -86.8 | 0 | 0 | 0 | 108.2 | P78 S82 | P78-H80 PolarHBondContact O-N 2.71Å; H80-S82 PolarHBondContact O-N 3.35Å |
| 81 | L | 58.9 | Low | 59.4 | Low | 148 Ų | 148 | 130.3 Ų | 130.3 | 78% | 0.775 | 77% | 0.769 | S | S | * | * | | | trans | -47.3 | 127.9 | 173.1 | -76.4 | 136.2 | 0 | 0 | 0 | 111.5 | Q79 | Q79-L81 PolarHBondContact O-N 3.35Å; Q79-L81 VanDerWaalsContact O-N 3.14Å |
| 82 | S | 54.6 | Low | 58.1 | Low | 98 Ų | 98 | 136.6 Ų | 136.6 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | trans | 55.9 | 128.8 | 166.4 | 51.3 | 0 | 0 | 0 | 0 | 116.3 | H80 | H80-S82 PolarHBondContact O-N 3.35Š|
| 83 | L | 51.2 | Low | 57 | Low | 158 Ų | 158 | 136 Ų | 136 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | | | | -156.7 | 122.8 | 79.2 | -72.8 | 167 | 0 | 0 | 0 | 110 | | |
| 84 | T | 51.9 | Low | 55.6 | Low | 120 Ų | 120 | 136 Ų | 136 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | | | trans | 33.1 | 130.2 | 157.2 | 59.1 | 0 | 0 | 0 | 0 | 121.6 | S86 | T84-S86 PolarHBondContact O-N 3.21Š|
| 85 | P | 51.3 | Low | 54.2 | Low | 140 Ų | 140 | 144.8 Ų | 144.8 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -75.7 | 104.3 | 158 | 9.2 | 6.8 | 0 | 0 | 0 | 108.8 | | |
| 86 | S | 58.5 | Low | 53.4 | Low | 102 Ų | 102 | 146.4 Ų | 146.4 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | | | trans | -119.3 | 95.3 | 164.4 | -176.4 | 0 | 0 | 0 | 0 | 109 | T84 | T84-S86 PolarHBondContact O-N 3.21Š|
| 87 | H | 50.1 | Low | 52.5 | Low | 169 Ų | 169 | 141.8 Ų | 141.8 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | | | | -170.4 | 105.6 | 124.6 | -137.4 | -105.5 | 0 | 0 | 0 | 109.4 | S89 | H87-S89 PolarHBondContact O-N 3.46Š|
| 88 | A | 53.9 | Low | 51.8 | Low | 87 Ų | 87 | 147.2 Ų | 147.2 | 72% | 0.719 | 82% | 0.819 | S | S | * | * | | | trans | -70 | 113.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 89 | S | 47.2 | Very low | 51 | Low | 101 Ų | 101 | 148.1 Ų | 148.1 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | | | trans | -102.7 | 94.7 | 161.3 | 56.3 | 0 | 0 | 0 | 0 | 108.9 | H87 T91 | H87-S89 PolarHBondContact O-N 3.46Å; S89-T91 PolarHBondContact O-N 2.9Å |
| 90 | M | 45.7 | Very low | 50.5 | Low | 176 Ų | 176 | 147.2 Ų | 147.2 | 87% | 0.867 | 82% | 0.821 | S | S | * | * | | | trans | -56.7 | 114.6 | 165.5 | -69.5 | -78.4 | 166.6 | 0 | 0 | 108.9 | | |
| 91 | T | 44.7 | Very low | 50.2 | Low | 139 Ų | 139 | 144.9 Ų | 144.9 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | | | trans | -96.3 | 102 | 159 | 32.3 | 0 | 0 | 0 | 0 | 107.9 | S89 A93 | S89-T91 PolarHBondContact O-N 2.9Å; T91-A93 PolarHBondContact O-N 3.14Å |
| 92 | K | 46.7 | Very low | 49.6 | Very low | 199 Ų | 199 | 144.7 Ų | 144.7 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 117.6 | 172.4 | -178.8 | 176.9 | 179.2 | 171.7 | 0 | 109.4 | | |
| 93 | A | 49.5 | Very low | 49.2 | Very low | 95 Ų | 95 | 148.3 Ų | 148.3 | 79% | 0.785 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -75 | 128.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | T91 | T91-A93 PolarHBondContact O-N 3.14Š|
| 94 | S | 45.6 | Very low | 49 | Very low | 124 Ų | 124 | 147.5 Ų | 147.5 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 126.5 | 169.2 | -74.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 95 | R | 42.8 | Very low | 48.7 | Very low | 318 Ų | 318 | 150 Ų | 150 | 100% | 1.2 | 84% | 0.842 | S | S | * | * | | | trans | -155.1 | 0 | 138.7 | -152.7 | 178.9 | -152.5 | -137.9 | 4.2 | 110.3 | | |