| 1 | R | 52.4 | Low | 57.6 | Low | 307 Ų | 307 | 136.3 Ų | 136.3 | 100% | 1.158 | 83% | 0.832 | S | S | * | * | | | | 0 | 124.9 | 0 | -90.8 | -175.1 | 176.1 | -125.8 | 1.1 | 107.3 | | |
| 2 | G | 51.8 | Low | 58.4 | Low | 90 Ų | 90 | 141.2 Ų | 141.2 | 93% | 0.928 | 83% | 0.833 | S | S | * | * | | | trans | 79.5 | 131.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 3 | G | 47.3 | Very low | 59.2 | Low | 74 Ų | 74 | 141.5 Ų | 141.5 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | | | cis | -146 | 138.3 | 6.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 4 | S | 58.9 | Low | 59.7 | Low | 122 Ų | 122 | 140.1 Ų | 140.1 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | | | trans | -68 | 128.9 | 155 | 173 | 0 | 0 | 0 | 0 | 107.3 | | |
| 5 | L | 61 | Low | 60.3 | Low | 162 Ų | 162 | 136.6 Ų | 136.6 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | | | trans | 147 | 89.7 | 173.5 | -83.2 | 156.2 | 0 | 0 | 0 | 102.7 | | |
| 6 | E | 60.8 | Low | 60.5 | Low | 197 Ų | 197 | 139.9 Ų | 139.9 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | S | Bend | | -168.7 | 111.5 | 95.6 | -77.5 | 162.2 | 113.7 | 0 | 0 | 104.4 | | |
| 7 | S | 59.6 | Low | 60.6 | Low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | | -160.4 | 130.7 | 75.9 | -175.3 | 0 | 0 | 0 | 0 | 106.3 | G9 | S7-G9 PolarHBondContact O-N 3.05Š|
| 8 | D | 60.8 | Low | 60.5 | Low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | | | trans | -67.6 | 58.4 | 168.5 | -144.1 | -62.4 | 0 | 0 | 0 | 108.5 | C10 | D8-C10 PolarHBondContact O-N 3.33Š|
| 9 | G | 60.1 | Low | 60 | Low | 60 Ų | 60 | 138.9 Ų | 138.9 | 62% | 0.619 | 80% | 0.804 | S | S | * | * | | | trans | -75.3 | 47.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | S7 P11 | S7-G9 PolarHBondContact O-N 3.05Å; G9-P11 VanDerWaalsContact O-N 3.16Å; G9-P11 WeakPolarHBondContact O-CD 3.12Å |
| 10 | C | 59.3 | Low | 59.8 | Low | 94 Ų | 94 | 136.8 Ų | 136.8 | 64% | 0.635 | 80% | 0.803 | S | S | * | * | | | trans | -48.5 | 119.8 | 159.6 | -163.1 | 0 | 0 | 0 | 0 | 105.9 | D8 K12 | D8-C10 PolarHBondContact O-N 3.33Å; C10-K12 VanDerWaalsContact C-N 3.32Å; C10-K12 PolarHBondContact O-N 3.26Å |
| 11 | P | 62.2 | Low | 59.6 | Low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | | | trans | -59.9 | 104.4 | 174.4 | 22.3 | -29.6 | 0 | 0 | 0 | 107 | G9 E13 | G9-P11 VanDerWaalsContact O-N 3.16Å; G9-P11 WeakPolarHBondContact O-CD 3.12Å; P11-E13 PolarHBondContact O-N 3Å |
| 12 | K | 67.3 | Low | 59.8 | Low | 195 Ų | 195 | 125.7 Ų | 125.7 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | | | trans | -70.1 | 114.5 | 177 | -174.9 | 162.7 | 178.9 | 163.7 | 0 | 106.7 | C10 | C10-K12 VanDerWaalsContact C-N 3.32Å; C10-K12 PolarHBondContact O-N 3.26Å |
| 13 | E | 68.6 | Low | 59.9 | Low | 146 Ų | 146 | 127.6 Ų | 127.6 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | S | Bend | trans | 81.5 | 133.6 | 178.2 | -47.3 | -151.7 | 114.5 | 0 | 0 | 115.5 | P11 A15 | P11-E13 PolarHBondContact O-N 3Å; E13-A15 PolarHBondContact O-N 3.02Å |
| 14 | P | 66.4 | Low | 60 | Low | 121 Ų | 121 | 127.9 Ų | 127.9 | 79% | 0.786 | 77% | 0.768 | S | S | * | * | | | trans | -59.7 | 128.4 | 164.1 | 27.2 | -31.5 | 0 | 0 | 0 | 107.5 | K16 | P14-K16 PolarHBondContact O-N 2.99Š|
| 15 | A | 67.5 | Low | 59.6 | Low | 88 Ų | 88 | 126.1 Ų | 126.1 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -47.6 | 120.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | E13 T17 | E13-A15 PolarHBondContact O-N 3.02Å; A15-T17 VanDerWaalsContact C-N 3.28Å; A15-T17 PolarHBondContact O-N 3.01Å |
| 16 | K | 63.6 | Low | 59.2 | Low | 189 Ų | 189 | 124.3 Ų | 124.3 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | trans | -61.2 | 101 | 167.5 | -74.5 | 179 | 177.1 | 169.2 | 0 | 106 | P14 Q18 | P14-K16 PolarHBondContact O-N 2.99Å; K16-Q18 PolarHBondContact O-N 2.99Å |
| 17 | T | 61.9 | Low | 58.8 | Low | 131 Ų | 131 | 118.2 Ų | 118.2 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | | | trans | -61.7 | 90.2 | 172.8 | -48.6 | 0 | 0 | 0 | 0 | 107.5 | A15 | A15-T17 VanDerWaalsContact C-N 3.28Å; A15-T17 PolarHBondContact O-N 3.01Å |
| 18 | Q | 59.7 | Low | 58.4 | Low | 169 Ų | 169 | 116 Ų | 116 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | | | trans | -68.1 | 129.6 | 152.3 | -81.1 | -161.6 | -24.3 | 0 | 0 | 105.8 | K16 A20 | K16-Q18 PolarHBondContact O-N 2.99Å; Q18-A20 PolarHBondContact O-N 2.76Å |
| 19 | P | 51 | Low | 58.1 | Low | 102 Ų | 102 | 117.1 Ų | 117.1 | 66% | 0.662 | 73% | 0.729 | S | S | * | * | | | trans | -65.2 | 111.8 | 168.9 | 31.5 | -32.2 | 0 | 0 | 0 | 105 | V21 | P19-V21 HydrophobicContact CB-CG2 3.59Å; P19-V21 HydrophobicContact CG-CG2 4.04Å; P19-V21 PolarHBondContact O-N 3.15Å |
| 20 | A | 56.6 | Low | 58.1 | Low | 96 Ų | 96 | 122.5 Ų | 122.5 | 79% | 0.793 | 74% | 0.735 | S | S | * | * | | | trans | -69.3 | 64.9 | 172 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q18 A22 | Q18-A20 PolarHBondContact O-N 2.76Å; A20-A22 PolarHBondContact O-N 2.68Å; A20-A22 VanDerWaalsContact O-N 3.12Å |
| 21 | V | 55.6 | Low | 58 | Low | 129 Ų | 129 | 127.4 Ų | 127.4 | 78% | 0.782 | 74% | 0.742 | S | S | * | * | | | trans | -86.6 | 51.8 | 174.4 | -149 | 0 | 0 | 0 | 0 | 108.7 | P19 | P19-V21 HydrophobicContact CB-CG2 3.59Å; P19-V21 HydrophobicContact CG-CG2 4.04Å; P19-V21 PolarHBondContact O-N 3.15Å |
| 22 | A | 55.4 | Low | 58.1 | Low | 81 Ų | 81 | 130.2 Ų | 130.2 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -160.8 | 66.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | A20 | A20-A22 PolarHBondContact O-N 2.68Å; A20-A22 VanDerWaalsContact O-N 3.12Å |
| 23 | T | 53.6 | Low | 57.6 | Low | 131 Ų | 131 | 128.8 Ų | 128.8 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -176.1 | -11.2 | 150.6 | 19.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 24 | A | 50 | Low | 57.6 | Low | 79 Ų | 79 | 133.6 Ų | 133.6 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -95.1 | -0.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | T26 | A24-T26 VanDerWaalsContact C-N 3.3Å; A24-T26 PolarHBondContact O-N 2.86Å |
| 25 | A | 50.5 | Low | 57.6 | Low | 85 Ų | 85 | 130.8 Ų | 130.8 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -17.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 26 | T | 52.1 | Low | 57.4 | Low | 124 Ų | 124 | 135.4 Ų | 135.4 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -10.8 | -177.8 | 54.5 | 0 | 0 | 0 | 0 | 114.1 | A24 | A24-T26 VanDerWaalsContact C-N 3.3Å; A24-T26 PolarHBondContact O-N 2.86Å |
| 27 | A | 52.7 | Low | 57.5 | Low | 69 Ų | 69 | 130 Ų | 130 | 57% | 0.57 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | -24.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 28 | A | 51.9 | Low | 57.5 | Low | 70 Ų | 70 | 131.2 Ų | 131.2 | 58% | 0.579 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -91.3 | -8.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K30 Y31 | A28-K30 PolarHBondContact O-N 2.96Å; A28-K30 VanDerWaalsContact O-N 3.11Å; A28-Y31 PolarHBondContact O-N 2.7Å |
| 29 | E | 54.8 | Low | 57.8 | Low | 183 Ų | 183 | 132 Ų | 132 | 86% | 0.855 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -18 | -175 | -158.2 | -175.7 | 128.4 | 0 | 0 | 113.9 | | |
| 30 | K | 60 | Low | 58.7 | Low | 173 Ų | 173 | 135.9 Ų | 135.9 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -3.3 | -176.5 | 43.5 | -178.2 | 173.8 | -81.2 | 0 | 115.2 | A28 | A28-K30 PolarHBondContact O-N 2.96Å; A28-K30 VanDerWaalsContact O-N 3.11Å |
| 31 | Y | 56.8 | Low | 59.1 | Low | 197 Ų | 197 | 137.8 Ų | 137.8 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -109 | 90.1 | 178 | -159.1 | -100.1 | 0 | 0 | 0 | 111.4 | A28 H33 | A28-Y31 PolarHBondContact O-N 2.7Å; Y31-H33 PolarHBondContact O-N 2.89Å |
| 32 | K | 64.1 | Low | 59.6 | Low | 176 Ų | 176 | 139 Ų | 139 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | | | trans | 1.3 | 102.8 | 154.5 | -58.7 | -71.2 | -176.1 | 179.6 | 0 | 115 | | |
| 33 | H | 57 | Low | 60.1 | Low | 165 Ų | 165 | 140.9 Ų | 140.9 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | | | trans | -120.4 | 63.2 | 152.4 | -117.5 | -84.2 | 0 | 0 | 0 | 109.2 | Y31 G35 | Y31-H33 PolarHBondContact O-N 2.89Å; H33-G35 PolarHBondContact O-N 2.64Å; H33-G35 VanDerWaalsContact O-N 3.08Å |
| 34 | R | 68.4 | Low | 60.7 | Low | 247 Ų | 247 | 139.7 Ų | 139.7 | 93% | 0.932 | 74% | 0.743 | S | S | * | * | | | trans | -82.1 | 77.7 | 169.1 | -153.9 | -161.1 | -147.5 | -159.5 | 8.8 | 107.8 | | |
| 35 | G | 65.4 | Low | 61.5 | Low | 63 Ų | 63 | 141.1 Ų | 141.1 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 88.1 | 107.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H33 | H33-G35 PolarHBondContact O-N 2.64Å; H33-G35 VanDerWaalsContact O-N 3.08Å |
| 36 | E | 64.3 | Low | 62.4 | Low | 184 Ų | 184 | 142.4 Ų | 142.4 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | | | | -176.3 | 125.6 | 118.3 | -98 | -156.9 | 124.3 | 0 | 0 | 108.9 | | |
| 37 | G | 65.1 | Low | 63.5 | Low | 75 Ų | 75 | 144.2 Ų | 144.2 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | 80.9 | 145.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 38 | E | 63.4 | Low | 64.5 | Low | 157 Ų | 157 | 146.5 Ų | 146.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | 88.5 | 111.6 | 147.1 | -143.9 | 179.4 | 157.7 | 0 | 0 | 117.5 | | |
| 39 | R | 65.6 | Low | 65.5 | Low | 187 Ų | 187 | 154.3 Ų | 154.3 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | cis | -148.8 | 95.1 | -9.1 | -89.7 | 156.4 | -144.9 | -92.7 | -1.7 | 104.8 | | |
| 40 | K | 68.9 | Low | 66.4 | Low | 182 Ų | 182 | 151.2 Ų | 151.2 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -72.2 | 155.4 | 146.7 | 18 | -162.9 | 171.5 | -170.7 | 0 | 104.2 | | |
| 41 | D | 66.5 | Low | 67.1 | Low | 137 Ų | 137 | 149.7 Ų | 149.7 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | trans | 70.1 | 51 | -173.1 | 17.1 | -63.6 | 0 | 0 | 0 | 114.4 | V43 | D41-V43 HydrophobicContact CB-CG2 3.77Å; D41-V43 PolarHBondContact O-N 3.26Å |
| 42 | I | 65.3 | Low | 68 | Low | 155 Ų | 155 | 150.8 Ų | 150.8 | 80% | 0.795 | 78% | 0.776 | S | S | * | * | | | trans | -65.9 | 80.2 | 131.4 | 31.6 | 167.7 | 0 | 0 | 0 | 105.9 | S44 | I42-S44 PolarHBondContact O-N 2.98Š|
| 43 | V | 64.9 | Low | 68.6 | Low | 120 Ų | 120 | 150 Ų | 150 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | trans | -53.7 | 98.7 | 167.6 | 178.8 | 0 | 0 | 0 | 0 | 104.7 | D41 S45 | D41-V43 HydrophobicContact CB-CG2 3.77Å; D41-V43 PolarHBondContact O-N 3.26Å; V43-S45 PolarHBondContact O-N 3.06Å |
| 44 | S | 67.2 | Low | 69.4 | Low | 105 Ų | 105 | 149.4 Ų | 149.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | -47.6 | 116.8 | 166.8 | -82.4 | 0 | 0 | 0 | 0 | 105 | I42 S46 | I42-S44 PolarHBondContact O-N 2.98Å; S44-S46 PolarHBondContact O-N 2.88Å |
| 45 | S | 66.4 | Low | 69.8 | Low | 109 Ų | 109 | 143.1 Ų | 143.1 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | trans | -60.8 | 85.6 | -177.3 | 55.8 | 0 | 0 | 0 | 0 | 108.6 | V43 M47 | V43-S45 PolarHBondContact O-N 3.06Å; S45-M47 PolarHBondContact O-N 2.77Å |
| 46 | S | 68.9 | Low | 70.3 | Confident | 112 Ų | 112 | 145.7 Ų | 145.7 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | trans | -84.4 | 42.1 | 178.6 | -167.6 | 0 | 0 | 0 | 0 | 109.1 | S44 P48 | S44-S46 PolarHBondContact O-N 2.88Å; S46-P48 WeakPolarHBondContact O-CD 3.09Å |
| 47 | M | 75 | Confident | 70.7 | Confident | 163 Ų | 163 | 141.9 Ų | 141.9 | 80% | 0.803 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 117.6 | 165.2 | -66 | -122.1 | -68.7 | 0 | 0 | 105.5 | S45 R49 | S45-M47 PolarHBondContact O-N 2.77Å; M47-R49 PolarHBondContact O-N 2.95Å |
| 48 | P | 74 | Confident | 71.2 | Confident | 117 Ų | 117 | 143.5 Ų | 143.5 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 133.7 | 171.5 | -20.1 | 30.5 | 0 | 0 | 0 | 107.6 | S46 P50 | S46-P48 WeakPolarHBondContact O-CD 3.09Å; P48-P50 VanDerWaalsContact O-N 3.11Å |
| 49 | R | 74.5 | Confident | 72 | Confident | 234 Ų | 234 | 145.3 Ų | 145.3 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 127.1 | 170.9 | -68.5 | -175.4 | -179.8 | -177.6 | -0.1 | 106 | M47 N51 | M47-R49 PolarHBondContact O-N 2.95Å; R49-N51 PolarHBondContact O-N 3.08Å |
| 50 | P | 73 | Confident | 72.3 | Confident | 118 Ų | 118 | 141.9 Ų | 141.9 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 123.7 | 173.1 | 21.3 | -30.2 | 0 | 0 | 0 | 105.3 | P48 R52 | P48-P50 VanDerWaalsContact O-N 3.11Å; P50-R52 PolarHBondContact O-N 3.36Å |
| 51 | N | 74.3 | Confident | 72.5 | Confident | 141 Ų | 141 | 138.8 Ų | 138.8 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | | | trans | -44.1 | 118.7 | -176.5 | -174.3 | -33.5 | 0 | 0 | 0 | 106 | R49 E53 | R49-N51 PolarHBondContact O-N 3.08Å; N51-E53 PolarHBondContact O-N 3.27Å |
| 52 | R | 76 | Confident | 73 | Confident | 220 Ų | 220 | 138.6 Ų | 138.6 | 83% | 0.83 | 75% | 0.754 | S | S | * | * | | | trans | -59.9 | 98.4 | 173.6 | 171.4 | -176.9 | 173.5 | 156 | -1.3 | 103.1 | P50 E54 | P50-R52 PolarHBondContact O-N 3.36Å; R52-E54 PolarHBondContact O-N 3.11Å |
| 53 | E | 76 | Confident | 73.3 | Confident | 160 Ų | 160 | 136.2 Ų | 136.2 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | trans | -48.8 | 112.8 | 179.4 | 41.7 | -171.6 | 83.6 | 0 | 0 | 106 | N51 | N51-E53 PolarHBondContact O-N 3.27Š|
| 54 | E | 75.2 | Confident | 73.8 | Confident | 151 Ų | 151 | 138.4 Ų | 138.4 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | | | trans | -46.6 | 136.6 | 162.9 | -79.8 | -71.8 | 114.8 | 0 | 0 | 105.5 | R52 V56 | R52-E54 PolarHBondContact O-N 3.11Å; E54-V56 PolarHBondContact O-N 3.35Å; E54-V56 VanDerWaalsContact C-N 3.33Å |
| 55 | P | 76.6 | Confident | 74.1 | Confident | 116 Ų | 116 | 144 Ų | 144 | 75% | 0.753 | 75% | 0.754 | S | S | * | * | | | trans | -51 | 105 | -178.3 | -14 | 20.6 | 0 | 0 | 0 | 107.6 | D57 | P55-D57 VanDerWaalsContact C-N 3.32Å; P55-D57 PolarHBondContact O-N 3.24Å |
| 56 | V | 75 | Confident | 74.2 | Confident | 117 Ų | 117 | 144.8 Ų | 144.8 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | | | trans | -65 | 106 | 177.6 | 170.2 | 0 | 0 | 0 | 0 | 103 | E54 S58 | E54-V56 PolarHBondContact O-N 3.35Å; E54-V56 VanDerWaalsContact C-N 3.33Å; V56-S58 PolarHBondContact O-N 3.04Å |
| 57 | D | 73.7 | Confident | 74.2 | Confident | 103 Ų | 103 | 148.1 Ų | 148.1 | 55% | 0.551 | 78% | 0.778 | S | S | * | * | | | trans | -65.9 | 94.9 | 179.7 | -162.5 | -12.3 | 0 | 0 | 0 | 106.3 | P55 R59 | P55-D57 VanDerWaalsContact C-N 3.32Å; P55-D57 PolarHBondContact O-N 3.24Å; D57-R59 WeakPolarHBondContact OD1-CG 3.41Å; D57-R59 IonicContact OD2-NH1 3.63Å; D57-R59 IonicContact OD2-NE 3.15Å; D57-R59 IonicContact OD2-CZ 3.85Å; D57-R59 VanDerWaalsContact OD1-NE 3.15Å; D57-R59 PolarHBondContact OD1-NE 3.18Å; D57-R59 IonicContact OD1-NE 3.64Å; D57-R59 IonicContact OD1-CZ 3.65Å; D57-R59 WeakPolarHBondContact OD1-CD 3.37Å; D57-R59 PolarHBondContact O-N 2.83Å |
| 58 | S | 75.8 | Confident | 74.2 | Confident | 110 Ų | 110 | 147.4 Ų | 147.4 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | | | trans | -75.2 | 16 | -172 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | V56 T60 | V56-S58 PolarHBondContact O-N 3.04Å; S58-T60 PolarHBondContact O-N 2.95Å |
| 59 | R | 78.9 | Confident | 74.2 | Confident | 194 Ų | 194 | 148.9 Ų | 148.9 | 73% | 0.732 | 78% | 0.777 | S | S | * | * | | | trans | -64.9 | 106.9 | 175 | -72.5 | 169.6 | -166 | 177.7 | 1.2 | 108.5 | D57 | D57-R59 WeakPolarHBondContact OD1-CG 3.41Å; D57-R59 IonicContact OD2-NH1 3.63Å; D57-R59 IonicContact OD2-NE 3.15Å; D57-R59 IonicContact OD2-CZ 3.85Å; D57-R59 VanDerWaalsContact OD1-NE 3.15Å; D57-R59 PolarHBondContact OD1-NE 3.18Å; D57-R59 IonicContact OD1-NE 3.64Å; D57-R59 IonicContact OD1-CZ 3.65Å; D57-R59 WeakPolarHBondContact OD1-CD 3.37Å; D57-R59 PolarHBondContact O-N 2.83Å |
| 60 | T | 72.9 | Confident | 74.2 | Confident | 116 Ų | 116 | 144.2 Ų | 144.2 | 71% | 0.712 | 77% | 0.771 | S | S | * | * | | | trans | -47.2 | 124.2 | 159 | 44.8 | 0 | 0 | 0 | 0 | 108.3 | S58 V62 | S58-T60 PolarHBondContact O-N 2.95Å; T60-V62 PolarHBondContact O-N 2.78Å |
| 61 | P | 73.3 | Confident | 74.3 | Confident | 117 Ų | 117 | 145.8 Ų | 145.8 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | | | trans | -60.7 | 116.3 | 179.2 | 23.7 | -31.9 | 0 | 0 | 0 | 108.1 | T63 | P61-T63 PolarHBondContact O-N 2.74Š|
| 62 | V | 76.6 | Confident | 74.3 | Confident | 133 Ų | 133 | 146.1 Ų | 146.1 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | | | trans | -70 | 101.6 | 172.7 | -180 | 0 | 0 | 0 | 0 | 105.9 | T60 E64 | T60-V62 PolarHBondContact O-N 2.78Å; V62-E64 PolarHBondContact O-N 3.12Å |
| 63 | T | 71.3 | Confident | 74.1 | Confident | 105 Ų | 105 | 141.1 Ų | 141.1 | 64% | 0.644 | 77% | 0.769 | S | S | * | * | | | trans | -70.5 | 99.3 | 167.6 | 56.8 | 0 | 0 | 0 | 0 | 106.8 | P61 R65 | P61-T63 PolarHBondContact O-N 2.74Å; T63-R65 PolarHBondContact O-N 2.78Å |
| 64 | E | 76 | Confident | 74 | Confident | 165 Ų | 165 | 139.8 Ų | 139.8 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | | | trans | -57.4 | 111.8 | 166.3 | -169.8 | -175 | 117.2 | 0 | 0 | 107.3 | V62 V66 | V62-E64 PolarHBondContact O-N 3.12Å; E64-V66 PolarHBondContact O-N 2.72Å |
| 65 | R | 73.7 | Confident | 73.9 | Confident | 222 Ų | 222 | 138.9 Ų | 138.9 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -85.7 | 98.9 | 168.4 | -64.6 | -173.9 | -133.4 | 178.2 | 4.6 | 106 | T63 S67 | T63-R65 PolarHBondContact O-N 2.78Å; R65-S67 PolarHBondContact O-N 2.8Å |
| 66 | V | 68.1 | Low | 73.7 | Confident | 127 Ų | 127 | 140.8 Ų | 140.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | -59.4 | 120.1 | 168 | -173.5 | 0 | 0 | 0 | 0 | 106.9 | E64 | E64-V66 PolarHBondContact O-N 2.72Š|
| 67 | S | 68.9 | Low | 73.6 | Confident | 181 Ų | 181 | 143 Ų | 143 | 100% | 1.266 | 78% | 0.783 | S | S | * | * | | | trans | -115.2 | 0 | 178.8 | -166.1 | 0 | 0 | 0 | 0 | 111 | R65 | R65-S67 PolarHBondContact O-N 2.8Š|