| 1 | M | 47.2 | Very low | 55.4 | Low | 232 Ų | 232 | 139 Ų | 139 | 100% | 1.143 | 83% | 0.833 | S | S | * | * | | | | 0 | 114.1 | 0 | -65.3 | -71.9 | 149.1 | 0 | 0 | 106.4 | | |
| 2 | S | 63.4 | Low | 55.6 | Low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | | | cis | -164.2 | 142.6 | -10.6 | -72.7 | 0 | 0 | 0 | 0 | 103.5 | | |
| 3 | D | 54.8 | Low | 55.2 | Low | 160 Ų | 160 | 140.1 Ų | 140.1 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | | | trans | -82.6 | 166.9 | 175 | -132.9 | -66.6 | 0 | 0 | 0 | 110.9 | | |
| 4 | S | 54.5 | Low | 55.4 | Low | 120 Ų | 120 | 136.4 Ų | 136.4 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | | | trans | 85.4 | 124.1 | 167.8 | 75.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 5 | G | 51.9 | Low | 55.3 | Low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 82% | 0.817 | S | S | * | * | | | trans | -175.4 | 76 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 6 | T | 55.6 | Low | 54.8 | Low | 141 Ų | 141 | 134.3 Ų | 134.3 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | | | trans | -21.6 | 119.4 | 170.5 | 29.4 | 0 | 0 | 0 | 0 | 117.3 | | |
| 7 | K | 54 | Low | 54.9 | Low | 199 Ų | 199 | 137.4 Ų | 137.4 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | | | trans | -101.3 | 108.3 | 153.6 | -88.3 | -178.2 | 176.8 | -179.4 | 0 | 108.8 | | |
| 8 | D | 62.8 | Low | 54.6 | Low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | | | trans | -56.5 | 144.4 | 158.3 | -94.6 | -71.4 | 0 | 0 | 0 | 110.7 | | |
| 9 | P | 59.6 | Low | 55.3 | Low | 123 Ų | 123 | 134.2 Ų | 134.2 | 80% | 0.799 | 81% | 0.812 | S | S | * | * | | | trans | -135.6 | 123 | 140.3 | 33.5 | -19.2 | 0 | 0 | 0 | 112.5 | | |
| 10 | S | 49.3 | Very low | 55.5 | Low | 97 Ų | 97 | 133.8 Ų | 133.8 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | | | trans | -134.2 | 133.7 | 145.4 | -168.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 11 | P | 57.1 | Low | 55.7 | Low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | | | | -132.7 | 149 | 92.3 | 32.5 | -18.9 | 0 | 0 | 0 | 113.3 | | |
| 12 | Q | 57.4 | Low | 56.7 | Low | 172 Ų | 172 | 127 Ų | 127 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | trans | -61.4 | 131 | 170.3 | -58.8 | 173.4 | -88.1 | 0 | 0 | 110.7 | | |
| 13 | S | 50.4 | Low | 57 | Low | 120 Ų | 120 | 131 Ų | 131 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | | | trans | -117.6 | 96.6 | 148.5 | 55.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 14 | S | 58.4 | Low | 57.7 | Low | 89 Ų | 89 | 134.5 Ų | 134.5 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | | | trans | -63.8 | 151.8 | 163.5 | -53.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 15 | T | 53.5 | Low | 58.6 | Low | 134 Ų | 134 | 137.7 Ų | 137.7 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | | | trans | 85.5 | 86 | 168.9 | 68.2 | 0 | 0 | 0 | 0 | 118.1 | | |
| 16 | A | 47.4 | Very low | 60.1 | Low | 105 Ų | 105 | 136.9 Ų | 136.9 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | | | | -139.7 | 78.3 | 127.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | S18 | A16-S18 PolarHBondContact O-N 3.1Š|
| 17 | Q | 55.9 | Low | 61.3 | Low | 186 Ų | 186 | 141.8 Ų | 141.8 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | | | trans | -64.1 | 115.5 | 159.7 | -80.1 | -179.5 | -42.1 | 0 | 0 | 107.3 | | |
| 18 | S | 49.9 | Very low | 62.7 | Low | 109 Ų | 109 | 136.4 Ų | 136.4 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | | | trans | -147.4 | 95.9 | 146.1 | -171.7 | 0 | 0 | 0 | 0 | 109.2 | A16 | A16-S18 PolarHBondContact O-N 3.1Š|
| 19 | P | 68.3 | Low | 63.8 | Low | 106 Ų | 106 | 138 Ų | 138 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | | | trans | -86.5 | 147.1 | 154.6 | 32.9 | -24.7 | 0 | 0 | 0 | 110.2 | | |
| 20 | E | 57.9 | Low | 64.9 | Low | 126 Ų | 126 | 138 Ų | 138 | 59% | 0.589 | 75% | 0.754 | S | S | * | * | | | trans | 83.6 | 129.9 | 168.2 | -43.6 | -159.3 | 163 | 0 | 0 | 116.6 | Q34 | E20-Q34 PolarHBondContact OE1-NE2 2.78Å; E20-Q34 PolarHBondContact OE2-NE2 3.34Å |
| 21 | E | 61.4 | Low | 66.3 | Low | 169 Ų | 169 | 141.1 Ų | 141.1 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | | | | -141.9 | 141.9 | 63.4 | -65.4 | -172.1 | 130.3 | 0 | 0 | 115.6 | | |
| 22 | P | 66.9 | Low | 67.5 | Low | 55 Ų | 55 | 143.1 Ų | 143.1 | 36% | 0.357 | 75% | 0.747 | S | S | . | * | P | Polyproline II helix | trans | -77 | 138.9 | 169.7 | 35.5 | -38.3 | 0 | 0 | 0 | 109.5 | Q34 | P22-Q34 HydrophobicContact CB-CG 4.15Å; P22-Q34 VanDerWaalsContact CG-CG 3.45Å; P22-Q34 HydrophobicContact CG-CG 3.45Å; P22-Q34 VanDerWaalsContact CG-CD 3.41Å |
| 23 | Q | 69.3 | Low | 68.5 | Low | 192 Ų | 192 | 143.2 Ų | 143.2 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 140.4 | -174.3 | -64.8 | -169.4 | -46.5 | 0 | 0 | 113.4 | | |
| 24 | R | 69.8 | Low | 69.7 | Low | 233 Ų | 233 | 140.9 Ų | 140.9 | 88% | 0.879 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 132.7 | -175.5 | -74.7 | -179.1 | 160.5 | -140.7 | -3.6 | 112.6 | | |
| 25 | R | 73.8 | Confident | 70.6 | Confident | 187 Ų | 187 | 143.7 Ų | 143.7 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 159.1 | 161 | -64.5 | 178.7 | 179 | -98.4 | 0.3 | 109.1 | | |
| 26 | G | 83.1 | Confident | 71.9 | Confident | 53 Ų | 53 | 144.7 Ų | 144.7 | 55% | 0.546 | 72% | 0.722 | S | S | . | * | P | Polyproline II helix | trans | -50.8 | 147.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G28 R29 | G26-G28 PolarHBondContact O-N 2.87Å; G26-R29 PolarHBondContact O-N 3.41Å |
| 27 | R | 82.3 | Confident | 73.2 | Confident | 245 Ų | 245 | 145.6 Ų | 145.6 | 93% | 0.925 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | 138 | 178.6 | -61.7 | -179.5 | -176.5 | -129.4 | 3.2 | 109.8 | | |
| 28 | G | 83.2 | Confident | 74 | Confident | 85 Ų | 85 | 142.8 Ų | 142.8 | 88% | 0.876 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 92.2 | 0.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | G26 | G26-G28 PolarHBondContact O-N 2.87Š|
| 29 | R | 84.3 | Confident | 75.5 | Confident | 187 Ų | 187 | 139.9 Ų | 139.9 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -103.8 | 131.7 | 171.1 | -63.2 | -174.7 | -179.1 | -140.8 | 1.4 | 110.5 | G26 | G26-R29 PolarHBondContact O-N 3.41Š|
| 30 | P | 82.8 | Confident | 76.1 | Confident | 122 Ų | 122 | 140.5 Ų | 140.5 | 79% | 0.792 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 139.6 | 178.8 | 23.2 | -32 | 0 | 0 | 0 | 111.3 | K32 | P30-K32 PolarHBondContact O-N 3.47Š|
| 31 | R | 80.3 | Confident | 77.1 | Confident | 164 Ų | 164 | 140.4 Ų | 140.4 | 62% | 0.619 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 121.9 | 178.3 | -170.9 | 174.9 | -179.9 | -178.7 | -1.2 | 108.5 | | |
| 32 | K | 80.6 | Confident | 77.8 | Confident | 167 Ų | 167 | 138.4 Ų | 138.4 | 73% | 0.726 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 131.6 | 164.2 | -175.2 | 68.2 | 178.1 | 179.6 | 0 | 107.4 | P30 | P30-K32 PolarHBondContact O-N 3.47Š|
| 33 | Q | 79.4 | Confident | 78.6 | Confident | 174 Ų | 174 | 141.5 Ų | 141.5 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 146.7 | 173.5 | -66 | -174.4 | 12.7 | 0 | 0 | 109.7 | Q35 | Q33-Q35 PolarHBondContact O-N 2.75Š|
| 34 | Q | 74.7 | Confident | 79.2 | Confident | 71 Ų | 71 | 141.1 Ų | 141.1 | 33% | 0.332 | 73% | 0.73 | S | S | . | * | | | trans | -63.8 | 104.1 | 174.4 | -74.2 | 175.8 | 71.2 | 0 | 0 | 107.8 | E20 P22 E36 | E20-Q34 PolarHBondContact OE1-NE2 2.78Å; E20-Q34 PolarHBondContact OE2-NE2 3.34Å; P22-Q34 HydrophobicContact CB-CG 4.15Å; P22-Q34 VanDerWaalsContact CG-CG 3.45Å; P22-Q34 HydrophobicContact CG-CG 3.45Å; P22-Q34 VanDerWaalsContact CG-CD 3.41Å; Q34-E36 PolarHBondContact O-N 3.42Å |
| 35 | Q | 79 | Confident | 79.8 | Confident | 147 Ų | 147 | 140.7 Ų | 140.7 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | | | trans | -71 | 116.8 | 163.8 | -172.7 | 60.8 | 58.1 | 0 | 0 | 105.1 | Q33 | Q33-Q35 PolarHBondContact O-N 2.75Š|
| 36 | E | 79.8 | Confident | 80.2 | Confident | 156 Ų | 156 | 137.7 Ų | 137.7 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | | | trans | -48.7 | 139.7 | 165.5 | -66.5 | -175.9 | 162.5 | 0 | 0 | 107.9 | Q34 V38 | Q34-E36 PolarHBondContact O-N 3.42Å; E36-V38 WeakPolarHBondContact O-CG2 3.23Å; E36-V38 PolarHBondContact O-N 3.43Å |
| 37 | P | 74.4 | Confident | 80 | Confident | 124 Ų | 124 | 145.8 Ų | 145.8 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | | | trans | -62.7 | 92 | 175.7 | 26.5 | -32.7 | 0 | 0 | 0 | 108.3 | G39 | P37-G39 VanDerWaalsContact C-N 3.33Å; P37-G39 PolarHBondContact O-N 2.93Å |
| 38 | V | 74.2 | Confident | 80 | Confident | 127 Ų | 127 | 137.6 Ų | 137.6 | 77% | 0.77 | 74% | 0.739 | S | S | * | * | | | trans | -73.7 | 94.5 | 176.9 | -179.4 | 0 | 0 | 0 | 0 | 106.5 | E36 | E36-V38 WeakPolarHBondContact O-CG2 3.23Å; E36-V38 PolarHBondContact O-N 3.43Å |
| 39 | G | 79.4 | Confident | 80 | Confident | 48 Ų | 48 | 139.5 Ų | 139.5 | 50% | 0.495 | 72% | 0.72 | S | S | . | * | S | Bend | trans | 148.9 | 149.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | P37 | P37-G39 VanDerWaalsContact C-N 3.33Å; P37-G39 PolarHBondContact O-N 2.93Å |
| 40 | P | 81.9 | Confident | 80 | Confident | 118 Ų | 118 | 135.4 Ų | 135.4 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -54.2 | 144.3 | 170.6 | 26 | -34 | 0 | 0 | 0 | 109.3 | T42 | P40-T42 PolarHBondContact O-N 3.01Å; P40-T42 VanDerWaalsContact O-N 3.13Å |
| 41 | P | 78.4 | Confident | 79.8 | Confident | 125 Ų | 125 | 140.1 Ų | 140.1 | 81% | 0.812 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 127.5 | 177.3 | 24.5 | -33.6 | 0 | 0 | 0 | 108.4 | | |
| 42 | T | 77.3 | Confident | 79.8 | Confident | 127 Ų | 127 | 135.9 Ų | 135.9 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 138.1 | -179.6 | 52.2 | 0 | 0 | 0 | 0 | 109.3 | P40 K44 | P40-T42 PolarHBondContact O-N 3.01Å; P40-T42 VanDerWaalsContact O-N 3.13Å; T42-K44 PolarHBondContact O-N 2.87Å |
| 43 | P | 83.8 | Confident | 79.7 | Confident | 120 Ų | 120 | 130.1 Ų | 130.1 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 130.1 | -177.9 | 21.8 | -32.2 | 0 | 0 | 0 | 109.4 | R45 | P43-R45 PolarHBondContact O-N 3.01Š|
| 44 | K | 81.6 | Confident | 79.5 | Confident | 183 Ų | 183 | 131.9 Ų | 131.9 | 80% | 0.796 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -65 | 122.1 | -178 | -150.6 | 151.4 | -175.5 | 162.6 | 0 | 108 | T42 | T42-K44 PolarHBondContact O-N 2.87Š|
| 45 | R | 81.9 | Confident | 79.3 | Confident | 224 Ų | 224 | 133.2 Ų | 133.2 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 142.1 | 176 | -64.1 | 172.6 | 84.8 | -166.6 | 8.3 | 108.8 | P43 R47 | P43-R45 PolarHBondContact O-N 3.01Å; R45-R47 PolarHBondContact O-N 2.92Å |
| 46 | P | 82.6 | Confident | 78.8 | Confident | 124 Ų | 124 | 135.1 Ų | 135.1 | 81% | 0.805 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 133.1 | -179.6 | 22.9 | -33.4 | 0 | 0 | 0 | 109.4 | G48 | P46-G48 VanDerWaalsContact C-N 3.26Å; P46-G48 PolarHBondContact O-N 3.06Å |
| 47 | R | 78.9 | Confident | 78.3 | Confident | 224 Ų | 224 | 129.5 Ų | 129.5 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | | | trans | -70.9 | 86.3 | -179.3 | -89.1 | -178.5 | 163.2 | -176.1 | -4.4 | 109.5 | R45 | R45-R47 PolarHBondContact O-N 2.92Š|
| 48 | G | 80.9 | Confident | 78 | Confident | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | S | Bend | trans | 44.6 | -136.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P46 | P46-G48 VanDerWaalsContact C-N 3.26Å; P46-G48 PolarHBondContact O-N 3.06Å |
| 49 | R | 84.3 | Confident | 77.6 | Confident | 126 Ų | 126 | 134.8 Ų | 134.8 | 48% | 0.475 | 73% | 0.73 | S | S | . | * | S | Bend | trans | -82.6 | 144.3 | 178.4 | -72.8 | 168.9 | -172.9 | -70 | -17.6 | 110.5 | S53 K56 G57 | R49-S53 VanDerWaalsContact CB-OG 3.28Å; R49-S53 WeakPolarHBondContact CB-OG 3.44Å; R49-S53 WeakPolarHBondContact CD-OG 3.46Å; R49-K56 VanDerWaalsContact CZ-C 3.41Å; R49-K56 VanDerWaalsContact CZ-O 3.24Å; R49-K56 VanDerWaalsContact NH1-CA 3.33Å; R49-K56 PolarHBondContact NH1-O 3.41Å; R49-K56 PolarHBondContact NH2-O 2.69Å; R49-G57 VanDerWaalsContact NH2-N 3.19Å |
| 50 | P | 84.3 | Confident | 77 | Confident | 101 Ų | 101 | 138.5 Ų | 138.5 | 66% | 0.656 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 145 | 170.8 | 25.7 | -32.4 | 0 | 0 | 0 | 110 | G52 S53 | P50-G52 PolarHBondContact O-N 3.16Å; P50-G52 VanDerWaalsContact O-N 3.16Å; P50-S53 VanDerWaalsContact O-N 3.1Å; P50-S53 PolarHBondContact O-N 3.32Å |
| 51 | K | 78.4 | Confident | 76.1 | Confident | 221 Ų | 221 | 137.7 Ų | 137.7 | 96% | 0.961 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | 124.1 | 172.9 | -72.6 | -156.3 | 73.9 | -179.1 | 0 | 108.3 | | |
| 52 | G | 79.3 | Confident | 75.4 | Confident | 74 Ų | 74 | 140 Ų | 140 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.4 | -7.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | P50 K54 | P50-G52 PolarHBondContact O-N 3.16Å; P50-G52 VanDerWaalsContact O-N 3.16Å; G52-K54 PolarHBondContact O-N 2.74Å |
| 53 | S | 78.4 | Confident | 74.8 | Confident | 47 Ų | 47 | 143.5 Ų | 143.5 | 33% | 0.329 | 76% | 0.756 | S | S | . | * | | | trans | -72.7 | 103.3 | 174.1 | 101.4 | 0 | 0 | 0 | 0 | 110.4 | R49 P50 | R49-S53 VanDerWaalsContact CB-OG 3.28Å; R49-S53 WeakPolarHBondContact CB-OG 3.44Å; R49-S53 WeakPolarHBondContact CD-OG 3.46Å; P50-S53 VanDerWaalsContact O-N 3.1Å; P50-S53 PolarHBondContact O-N 3.32Å |
| 54 | K | 75 | Confident | 73.8 | Confident | 210 Ų | 210 | 147.8 Ų | 147.8 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | | | trans | -86.4 | -7.3 | 175.7 | -77.4 | 176.2 | 176.1 | 173.7 | 0 | 113.9 | G52 | G52-K54 PolarHBondContact O-N 2.74Š|
| 55 | S | 71.1 | Confident | 72.8 | Confident | 100 Ų | 100 | 145.2 Ų | 145.2 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -163 | 115.7 | -179.1 | 47.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 56 | K | 68.3 | Low | 72.2 | Confident | 187 Ų | 187 | 142.7 Ų | 142.7 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | trans | -179.2 | 31.8 | 153.4 | -103.2 | 176.5 | -171.7 | -173.1 | 0 | 111.7 | R49 | R49-K56 VanDerWaalsContact CZ-C 3.41Å; R49-K56 VanDerWaalsContact CZ-O 3.24Å; R49-K56 VanDerWaalsContact NH1-CA 3.33Å; R49-K56 PolarHBondContact NH1-O 3.41Å; R49-K56 PolarHBondContact NH2-O 2.69Å |
| 57 | G | 69.3 | Low | 71.2 | Confident | 37 Ų | 37 | 141.3 Ų | 141.3 | 38% | 0.381 | 75% | 0.75 | S | S | . | * | S | Bend | trans | -97.3 | 144.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | R49 R59 | R49-G57 VanDerWaalsContact NH2-N 3.19Å; G57-R59 PolarHBondContact O-N 3.27Å |
| 58 | P | 69.1 | Low | 70.4 | Confident | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | | | trans | -59.8 | 112.1 | 170.3 | 26.3 | -31.2 | 0 | 0 | 0 | 107.1 | T60 | P58-T60 VanDerWaalsContact C-N 3.26Å; P58-T60 PolarHBondContact O-N 3.23Å |
| 59 | R | 64.7 | Low | 69.6 | Low | 248 Ų | 248 | 137.2 Ų | 137.2 | 94% | 0.936 | 75% | 0.746 | S | S | * | * | | | trans | -71.6 | 89.7 | 168.9 | -71.7 | 176.2 | 71.4 | -174.6 | 2.3 | 106.5 | G57 | G57-R59 PolarHBondContact O-N 3.27Š|
| 60 | T | 67.4 | Low | 68.8 | Low | 126 Ų | 126 | 140.7 Ų | 140.7 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -124.2 | 85.2 | 168.4 | 51.1 | 0 | 0 | 0 | 0 | 108.7 | P58 | P58-T60 VanDerWaalsContact C-N 3.26Å; P58-T60 PolarHBondContact O-N 3.23Å |
| 61 | A | 62.9 | Low | 68.1 | Low | 100 Ų | 100 | 144.6 Ų | 144.6 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | | | trans | -136.3 | 50.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | K63 | A61-K63 VanDerWaalsContact C-N 3.33Š|
| 62 | L | 63.8 | Low | 67.9 | Low | 175 Ų | 175 | 144.8 Ų | 144.8 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | | | trans | -91.9 | 74.1 | 150.2 | -85.3 | 161.6 | 0 | 0 | 0 | 107.9 | | |
| 63 | K | 64.6 | Low | 67.6 | Low | 200 Ų | 200 | 145.1 Ų | 145.1 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | | | trans | -146.1 | 61.1 | 162.5 | -66.7 | -170.9 | 179.9 | 174.1 | 0 | 109.7 | A61 | A61-K63 VanDerWaalsContact C-N 3.33Š|
| 64 | K | 62.7 | Low | 67.6 | Low | 210 Ų | 210 | 152.3 Ų | 152.3 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | | | trans | -94.2 | 86.4 | 147.8 | -73.2 | -162.9 | 179.6 | -169.6 | 0 | 106.7 | | |
| 65 | V | 61.5 | Low | 67.9 | Low | 128 Ų | 128 | 145.8 Ų | 145.8 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -129.5 | 88.4 | 154.7 | -179.3 | 0 | 0 | 0 | 0 | 104.7 | P67 | V65-P67 WeakPolarHBondContact O-CD 3.28Š|
| 66 | E | 68.1 | Low | 68.4 | Low | 171 Ų | 171 | 150.5 Ų | 150.5 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | trans | -53.3 | 121.4 | 152.3 | 178 | 175.8 | -164.3 | 0 | 0 | 106.8 | V68 | E66-V68 PolarHBondContact O-N 3.13Š|
| 67 | P | 63.1 | Low | 68.9 | Low | 95 Ų | 95 | 146.8 Ų | 146.8 | 62% | 0.617 | 76% | 0.763 | S | S | * | * | | | trans | -69.1 | 108 | 170.6 | 26.9 | -30 | 0 | 0 | 0 | 107.9 | V65 G69 | V65-P67 WeakPolarHBondContact O-CD 3.28Å; P67-G69 PolarHBondContact O-N 2.95Å |
| 68 | V | 61.4 | Low | 69 | Low | 154 Ų | 154 | 154.3 Ų | 154.3 | 93% | 0.933 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -48.6 | 101.8 | 157.5 | 172.5 | 0 | 0 | 0 | 0 | 107.8 | E66 | E66-V68 PolarHBondContact O-N 3.13Š|
| 69 | G | 64 | Low | 69.3 | Low | 56 Ų | 56 | 156.9 Ų | 156.9 | 58% | 0.577 | 78% | 0.779 | S | S | * | * | S | Bend | trans | 144 | 125 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P67 R71 | P67-G69 PolarHBondContact O-N 2.95Å; G69-R71 PolarHBondContact O-N 2.88Å |
| 70 | Q | 68.1 | Low | 69.6 | Low | 200 Ų | 200 | 156 Ų | 156 | 94% | 0.935 | 78% | 0.776 | S | S | * | * | | | trans | -52.8 | 106.7 | 171.8 | -70.3 | 172.8 | 11.7 | 0 | 0 | 109.4 | R72 | Q70-R72 PolarHBondContact O-N 3.26Š|
| 71 | R | 69.9 | Low | 69.8 | Low | 183 Ų | 183 | 155.4 Ų | 155.4 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 126.1 | 179.3 | -140 | -176.4 | -178.9 | -162.1 | 8.5 | 108.2 | G69 R74 | G69-R71 PolarHBondContact O-N 2.88Å; R71-R74 VanDerWaalsContact CZ-NH2 3.25Å; R71-R74 VanDerWaalsContact NH1-NE 3.18Å |
| 72 | R | 72.4 | Confident | 70.1 | Confident | 225 Ų | 225 | 161.8 Ų | 161.8 | 85% | 0.849 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 139.5 | 175 | -65.9 | 179.8 | 179.3 | 177 | -0.6 | 109.5 | Q70 R74 | Q70-R72 PolarHBondContact O-N 3.26Å; R72-R74 PolarHBondContact O-N 3.2Å |
| 73 | P | 74.8 | Confident | 70.1 | Confident | 80 Ų | 80 | 163 Ų | 163 | 52% | 0.519 | 77% | 0.774 | S | S | . | * | P | Polyproline II helix | trans | -58 | 128.3 | 179.2 | 23.7 | -32.2 | 0 | 0 | 0 | 109.2 | R78 | P73-R78 HydrophobicContact CG-CB 4.22Š|
| 74 | R | 77.1 | Confident | 69.7 | Low | 199 Ų | 199 | 159.6 Ų | 159.6 | 75% | 0.751 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -71.4 | 138.1 | 175.4 | -70.9 | 176.5 | 167.1 | -113.4 | -5.9 | 109 | R71 R72 | R71-R74 VanDerWaalsContact CZ-NH2 3.25Å; R71-R74 VanDerWaalsContact NH1-NE 3.18Å; R72-R74 PolarHBondContact O-N 3.2Å |
| 75 | G | 80.9 | Confident | 69.4 | Low | 72 Ų | 72 | 155.1 Ų | 155.1 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 103.7 | -143.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 76 | R | 81.7 | Confident | 68.8 | Low | 200 Ų | 200 | 153.5 Ų | 153.5 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -61.9 | 138.5 | -172.1 | -167 | 173 | -175.1 | -117.3 | 9.2 | 111.2 | R78 | R76-R78 PolarHBondContact O-N 2.98Å; R76-R78 VanDerWaalsContact O-N 3.16Å |
| 77 | P | 78.6 | Confident | 68.2 | Low | 109 Ų | 109 | 154.5 Ų | 154.5 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | | | trans | -51.8 | 125.5 | 176.7 | -25.6 | 33.2 | 0 | 0 | 0 | 110.5 | K79 | P77-K79 VanDerWaalsContact C-N 3.33Å; P77-K79 PolarHBondContact O-N 3.2Å |
| 78 | R | 73 | Confident | 67.7 | Low | 195 Ų | 195 | 155.3 Ų | 155.3 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | -65.6 | 102 | 166.9 | -165.7 | 157.3 | 175.6 | 158.7 | -5.7 | 104.7 | P73 R76 W80 | P73-R78 HydrophobicContact CG-CB 4.22Å; R76-R78 PolarHBondContact O-N 2.98Å; R76-R78 VanDerWaalsContact O-N 3.16Å; R78-W80 PolarHBondContact O-N 3.02Å |
| 79 | K | 75.3 | Confident | 66.8 | Low | 169 Ų | 169 | 154 Ų | 154 | 74% | 0.735 | 75% | 0.752 | S | S | * | * | | | trans | -53.5 | 108.9 | 171.5 | -67.7 | -162.4 | 178.8 | -167.7 | 0 | 105.4 | P77 | P77-K79 VanDerWaalsContact C-N 3.33Å; P77-K79 PolarHBondContact O-N 3.2Å |
| 80 | W | 71.1 | Confident | 66.3 | Low | 230 Ų | 230 | 159 Ų | 159 | 87% | 0.871 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 127.6 | 166.2 | -67.1 | 89.6 | 0 | 0 | 0 | 105.1 | R78 R82 | R78-W80 PolarHBondContact O-N 3.02Å; W80-R82 PolarHBondContact O-N 3.28Å |
| 81 | P | 70.6 | Confident | 65.4 | Low | 112 Ų | 112 | 157.7 Ų | 157.7 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 120.1 | 165.2 | 23 | -28.9 | 0 | 0 | 0 | 105.7 | K83 | P81-K83 PolarHBondContact O-N 2.71Š|
| 82 | R | 68.9 | Low | 64.5 | Low | 234 Ų | 234 | 157.9 Ų | 157.9 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 117.2 | 160.1 | -85.4 | 175.9 | 158.4 | 170.5 | -7.9 | 103.6 | W80 V84 | W80-R82 PolarHBondContact O-N 3.28Å; R82-V84 PolarHBondContact O-N 2.81Å |
| 83 | K | 64.8 | Low | 62.8 | Low | 200 Ų | 200 | 156.3 Ų | 156.3 | 87% | 0.87 | 77% | 0.766 | S | S | * | * | | | trans | -57.2 | 98.7 | 160.6 | -67.1 | 176.4 | 179.2 | -170.7 | 0 | 103.6 | P81 V85 | P81-K83 PolarHBondContact O-N 2.71Å; K83-V85 VanDerWaalsContact C-N 3.3Å; K83-V85 PolarHBondContact O-N 2.97Å |
| 84 | V | 55.6 | Low | 60.9 | Low | 130 Ų | 130 | 155.9 Ų | 155.9 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | | | trans | -58.7 | 111.6 | 158.7 | -144.9 | 0 | 0 | 0 | 0 | 101.4 | R82 P86 | R82-V84 PolarHBondContact O-N 2.81Å; V84-P86 WeakPolarHBondContact O-CD 3.35Å; V84-P86 VanDerWaalsContact O-CD 3.23Å |
| 85 | V | 55.6 | Low | 59.4 | Low | 115 Ų | 115 | 152.4 Ų | 152.4 | 70% | 0.697 | 78% | 0.779 | S | S | * | * | | | trans | -47.6 | 117.9 | 169.7 | 173.7 | 0 | 0 | 0 | 0 | 104.7 | K83 E87 | K83-V85 VanDerWaalsContact C-N 3.3Å; K83-V85 PolarHBondContact O-N 2.97Å; V85-E87 PolarHBondContact O-N 2.96Å |
| 86 | P | 50.5 | Low | 57.3 | Low | 94 Ų | 94 | 154.1 Ų | 154.1 | 61% | 0.61 | 78% | 0.779 | S | S | * | * | | | trans | -62.8 | 102.5 | 159.9 | 26.4 | -27.2 | 0 | 0 | 0 | 104 | V84 V88 | V84-P86 WeakPolarHBondContact O-CD 3.35Å; V84-P86 VanDerWaalsContact O-CD 3.23Å; P86-V88 HydrophobicContact CB-CG2 4.48Å; P86-V88 PolarHBondContact O-N 2.95Å |
| 87 | E | 55.2 | Low | 55.7 | Low | 193 Ų | 193 | 153.4 Ų | 153.4 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -62.8 | 62.7 | 160.4 | -167.7 | -176.5 | -153.9 | 0 | 0 | 107.1 | V85 | V85-E87 PolarHBondContact O-N 2.96Š|
| 88 | V | 51.4 | Low | 54.1 | Low | 111 Ų | 111 | 157.6 Ų | 157.6 | 67% | 0.673 | 79% | 0.794 | S | S | * | * | | | trans | -152.6 | 42 | 175 | -157.2 | 0 | 0 | 0 | 0 | 107.3 | P86 E90 | P86-V88 HydrophobicContact CB-CG2 4.48Å; P86-V88 PolarHBondContact O-N 2.95Å; V88-E90 VanDerWaalsContact C-N 3.26Å |
| 89 | T | 43 | Very low | 52.8 | Low | 126 Ų | 126 | 152.5 Ų | 152.5 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -105.5 | 61.6 | 149.8 | -26 | 0 | 0 | 0 | 0 | 105.4 | E91 | T89-E91 PolarHBondContact O-N 3.16Š|
| 90 | E | 53.4 | Low | 51.5 | Low | 163 Ų | 163 | 151.9 Ų | 151.9 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -54.4 | 127.5 | 154.1 | -110.6 | 177.2 | 129.2 | 0 | 0 | 107.1 | V88 | V88-E90 VanDerWaalsContact C-N 3.26Š|
| 91 | E | 49.8 | Very low | 50.3 | Low | 171 Ų | 171 | 149 Ų | 149 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | S | Bend | trans | 71.6 | 55.4 | 147.3 | -60 | -130.6 | 102.7 | 0 | 0 | 119 | T89 | T89-E91 PolarHBondContact O-N 3.16Š|
| 92 | Q | 50.3 | Low | 48.8 | Very low | 188 Ų | 188 | 146.8 Ų | 146.8 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | -135.8 | 74.7 | 141.8 | -85.2 | -164.8 | 77 | 0 | 0 | 111 | | |
| 93 | Q | 37.9 | Very low | 47.7 | Very low | 192 Ų | 192 | 141.8 Ų | 141.8 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | | | trans | -165.5 | 87.4 | 149.9 | -112.2 | 160.6 | 37.2 | 0 | 0 | 110.2 | | |
| 94 | G | 34 | Very low | 46.8 | Very low | 70 Ų | 70 | 136.8 Ų | 136.8 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | trans | -70.5 | 151.8 | 135.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 95 | P | 44.9 | Very low | 46.7 | Very low | 127 Ų | 127 | 137.2 Ų | 137.2 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | cis | -142 | -174.1 | 48.7 | 37.5 | -17.2 | 0 | 0 | 0 | 113.9 | | |
| 96 | S | 38.4 | Very low | 46.6 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | | | trans | 90.8 | 88.8 | 172.4 | -164.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 97 | E | 46.5 | Very low | 46.4 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | | -160.7 | 128.2 | 99.1 | -99.7 | 177.9 | 153.7 | 0 | 0 | 109.8 | A99 | E97-A99 PolarHBondContact O-N 3.1Š|
| 98 | E | 45.7 | Very low | 46 | Very low | 196 Ų | 196 | 137.2 Ų | 137.2 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | | | trans | -69 | 105.5 | 168.9 | -170 | -174.1 | 176.3 | 0 | 0 | 107.1 | | |
| 99 | A | 46.4 | Very low | 45.9 | Very low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -140.4 | 85.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 104.8 | E97 | E97-A99 PolarHBondContact O-N 3.1Š|
| 100 | E | 47.2 | Very low | 46.2 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 73% | 0.729 | 79% | 0.789 | S | S | * | * | | | | 55.3 | 112.9 | 103 | -92.3 | -83.2 | 127.5 | 0 | 0 | 112.2 | | |
| 101 | E | 46 | Very low | 46 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | 61.6 | 103.4 | 157 | -64.2 | -164.6 | 132.2 | 0 | 0 | 119.1 | | |
| 102 | G | 38.7 | Very low | 46.3 | Very low | 66 Ų | 66 | 137.2 Ų | 137.2 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | | | trans | -80.4 | 177.4 | 134.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 103 | P | 46.2 | Very low | 46.5 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | cis | -131.9 | -160.9 | -5.8 | 38.6 | -19.3 | 0 | 0 | 0 | 111.3 | | |
| 104 | S | 46.5 | Very low | 47.1 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | | | trans | 93.8 | 65.3 | 155.5 | -157.9 | 0 | 0 | 0 | 0 | 117.2 | S106 | S104-S106 PolarHBondContact O-N 3.03Å; S104-S106 VanDerWaalsContact O-N 3.1Å |
| 105 | S | 53 | Low | 48.1 | Very low | 139 Ų | 139 | 143 Ų | 143 | 97% | 0.972 | 82% | 0.816 | S | S | * | * | | | trans | -72.5 | 88 | 142.9 | -168.7 | 0 | 0 | 0 | 0 | 108 | | |
| 106 | S | 54.3 | Low | 48.3 | Very low | 85 Ų | 85 | 143.8 Ų | 143.8 | 59% | 0.594 | 82% | 0.815 | S | S | * | * | | | trans | -144.5 | 99.5 | 167.9 | -149.8 | 0 | 0 | 0 | 0 | 109.2 | S104 | S104-S106 PolarHBondContact O-N 3.03Å; S104-S106 VanDerWaalsContact O-N 3.1Å |
| 107 | Q | 45 | Very low | 48.8 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | | | trans | 60 | 99 | 134 | -154.2 | 172.6 | 16 | 0 | 0 | 118.6 | | |
| 108 | V | 48.3 | Very low | 48.9 | Very low | 147 Ų | 147 | 143.5 Ų | 143.5 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | | | trans | -141.9 | 118.7 | 142.3 | -72.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 109 | P | 49.7 | Very low | 49.1 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | | | trans | -105.8 | 152.1 | 162.4 | 35.6 | -26.6 | 0 | 0 | 0 | 111.5 | | |
| 110 | A | 47.6 | Very low | 49.3 | Very low | 94 Ų | 94 | 143.7 Ų | 143.7 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | | | trans | 61.5 | 122.1 | 154.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 111 | Q | 50.3 | Low | 49.4 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | | | | -160.3 | 108 | 103.7 | -62.7 | -135.9 | -70.5 | 0 | 0 | 106 | | |
| 112 | E | 55.6 | Low | 49.7 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | | | | 50.4 | 95 | 94 | -159.1 | 173.9 | 109.3 | 0 | 0 | 112.9 | | |
| 113 | E | 54.6 | Low | 50.5 | Low | 202 Ų | 202 | 146.7 Ų | 146.7 | 94% | 0.944 | 83% | 0.834 | S | S | * | * | | | trans | -110.3 | 105.3 | 166.2 | -169.4 | -175 | 132.2 | 0 | 0 | 106.3 | | |
| 114 | S | 51.2 | Low | 50.9 | Low | 94 Ų | 94 | 148.3 Ų | 148.3 | 66% | 0.657 | 83% | 0.834 | S | S | * | * | | | trans | -159.3 | 113 | 163.2 | 57.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 115 | E | 54.4 | Low | 51.3 | Low | 276 Ų | 276 | 153.1 Ų | 153.1 | 100% | 1.29 | 85% | 0.85 | S | S | * | * | | | trans | 74.6 | 0 | 157.6 | -144.3 | 155.2 | 107.7 | 0 | 0 | 120.5 | | |