| 1 | D | 39.1 | Very low | 52.2 | Low | 209 Ų | 209 | 151.7 Ų | 151.7 | 100% | 1.118 | 83% | 0.827 | S | S | * | * | | | | 0 | 135 | 0 | -170.1 | 13 | 0 | 0 | 0 | 108.4 | | |
| 2 | R | 44 | Very low | 52.7 | Low | 236 Ų | 236 | 150.3 Ų | 150.3 | 89% | 0.891 | 83% | 0.827 | S | S | * | * | | | trans | 33.7 | 119.6 | -179.2 | -90.8 | 176.1 | 169.4 | 159.9 | -2.8 | 122.7 | | |
| 3 | A | 48.6 | Very low | 53.6 | Low | 89 Ų | 89 | 150.8 Ų | 150.8 | 74% | 0.736 | 83% | 0.826 | S | S | * | * | | | trans | -75.2 | -160.1 | 169 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 4 | P | 53.9 | Low | 54.5 | Low | 125 Ų | 125 | 148.1 Ų | 148.1 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | | | | -128.9 | -178.8 | -58.6 | 29.3 | -9.8 | 0 | 0 | 0 | 112 | | |
| 5 | A | 61.7 | Low | 55.4 | Low | 95 Ų | 95 | 146.5 Ų | 146.5 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | | | trans | -45.5 | 146.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 6 | E | 46.9 | Very low | 55.7 | Low | 196 Ų | 196 | 149.9 Ų | 149.9 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | | | trans | 177.1 | 141.3 | 146 | -102.9 | 172.7 | -152.9 | 0 | 0 | 106.5 | | |
| 7 | S | 46.4 | Very low | 56 | Low | 95 Ų | 95 | 146.2 Ų | 146.2 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | | | cis | -162.7 | 131.8 | 4.7 | 61.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 8 | R | 60.8 | Low | 56.2 | Low | 235 Ų | 235 | 145.8 Ų | 145.8 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | | | trans | 51.5 | 157.3 | 130.5 | -77.5 | -174.9 | 176.2 | -177.2 | -0 | 122 | | |
| 9 | P | 58.6 | Low | 56.3 | Low | 115 Ų | 115 | 142.1 Ų | 142.1 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | | | trans | -90.4 | 130.6 | -146.5 | 34.6 | -30.8 | 0 | 0 | 0 | 111.9 | G11 | P9-G11 PolarHBondContact O-N 3.44Š|
| 10 | F | 53.2 | Low | 56.3 | Low | 217 Ų | 217 | 140.9 Ų | 140.9 | 95% | 0.952 | 79% | 0.791 | S | S | * | * | | | trans | -76.2 | 72 | 162.1 | -72.6 | -78.3 | 0 | 0 | 0 | 109.1 | | |
| 11 | G | 61.3 | Low | 56.4 | Low | 57 Ų | 57 | 142 Ų | 142 | 59% | 0.588 | 80% | 0.796 | S | S | * | * | | | trans | -62.6 | 142.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | P9 | P9-G11 PolarHBondContact O-N 3.44Š|
| 12 | T | 58.5 | Low | 57.2 | Low | 135 Ų | 135 | 136.2 Ų | 136.2 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | | | trans | 95.7 | 56.6 | 164.3 | -40.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 13 | L | 64.2 | Low | 57.7 | Low | 156 Ų | 156 | 130 Ų | 130 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | | | trans | -141.4 | 138.2 | 132.2 | -71.3 | -178.8 | 0 | 0 | 0 | 109.3 | | |
| 14 | P | 66.2 | Low | 58.2 | Low | 113 Ų | 113 | 133 Ų | 133 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 137.1 | 175.8 | 25.1 | -32.4 | 0 | 0 | 0 | 109.2 | R16 | P14-R16 PolarHBondContact O-N 3.31Š|
| 15 | P | 67.1 | Low | 58.2 | Low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 127.3 | 176.3 | 24.1 | -31.8 | 0 | 0 | 0 | 108.6 | | |
| 16 | R | 61.2 | Low | 58.1 | Low | 201 Ų | 201 | 134.4 Ų | 134.4 | 76% | 0.758 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 127.8 | -175 | -164.5 | 179.1 | -68.3 | 173.2 | -1.6 | 108.8 | P14 | P14-R16 PolarHBondContact O-N 3.31Š|
| 17 | P | 61 | Low | 58.9 | Low | 86 Ų | 86 | 128.7 Ų | 128.7 | 56% | 0.558 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 139 | -180 | 24.6 | -32.3 | 0 | 0 | 0 | 109.9 | G19 | P17-G19 VanDerWaalsContact O-N 3.14Å; P17-G19 PolarHBondContact O-N 2.98Å |
| 18 | P | 58.8 | Low | 59.9 | Low | 139 Ų | 139 | 129.9 Ų | 129.9 | 90% | 0.903 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 113.6 | 177.4 | 27.6 | -30.9 | 0 | 0 | 0 | 108.5 | | |
| 19 | G | 59.1 | Low | 59.8 | Low | 75 Ų | 75 | 127.7 Ų | 127.7 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 131 | 0 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | P17 D21 | P17-G19 VanDerWaalsContact O-N 3.14Å; P17-G19 PolarHBondContact O-N 2.98Å; G19-D21 PolarHBondContact O-N 2.91Å |
| 20 | Q | 54.8 | Low | 60.1 | Low | 118 Ų | 118 | 124.4 Ų | 124.4 | 55% | 0.551 | 72% | 0.715 | S | S | * | * | | | trans | -85.6 | 84.3 | 173.2 | -170.2 | 117.5 | -39.5 | 0 | 0 | 111.1 | T22 | Q20-T22 HydrophobicContact CG-CG2 3.63Å; Q20-T22 PolarHBondContact O-N 3.49Å |
| 21 | D | 58.2 | Low | 60.7 | Low | 166 Ų | 166 | 118.1 Ų | 118.1 | 89% | 0.888 | 69% | 0.694 | S | S | * | * | | | trans | -72.7 | 63.3 | 164.1 | -73.4 | -37.8 | 0 | 0 | 0 | 110.4 | G19 S23 | G19-D21 PolarHBondContact O-N 2.91Å; D21-S23 VanDerWaalsContact C-N 3.29Å; D21-S23 PolarHBondContact O-N 3.03Å |
| 22 | T | 56.6 | Low | 60.9 | Low | 86 Ų | 86 | 125.5 Ų | 125.5 | 53% | 0.528 | 70% | 0.704 | S | S | . | * | | | trans | -89.1 | 76.6 | 161.2 | 51.4 | 0 | 0 | 0 | 0 | 108 | Q20 M24 | Q20-T22 HydrophobicContact CG-CG2 3.63Å; Q20-T22 PolarHBondContact O-N 3.49Å; T22-M24 VanDerWaalsContact C-N 3.26Å |
| 23 | S | 55.4 | Low | 61.2 | Low | 106 Ų | 106 | 128.1 Ų | 128.1 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | | | trans | -101.2 | 47.3 | 152.2 | -174.7 | 0 | 0 | 0 | 0 | 109 | D21 D25 | D21-S23 VanDerWaalsContact C-N 3.29Å; D21-S23 PolarHBondContact O-N 3.03Å; S23-D25 PolarHBondContact O-N 3.44Å |
| 24 | M | 58.5 | Low | 61.3 | Low | 152 Ų | 152 | 126.3 Ų | 126.3 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | | | trans | -72.3 | 87 | 146.5 | -70.9 | -66.5 | 169.8 | 0 | 0 | 104.1 | T22 D26 | T22-M24 VanDerWaalsContact C-N 3.26Å; M24-D26 VanDerWaalsContact C-N 3.31Å; M24-D26 PolarHBondContact O-N 3.31Å |
| 25 | D | 54.5 | Low | 61.4 | Low | 85 Ų | 85 | 131.6 Ų | 131.6 | 46% | 0.455 | 71% | 0.705 | S | S | . | * | | | trans | -54.4 | 103.1 | 169.9 | 155.4 | 80.2 | 0 | 0 | 0 | 106.2 | S23 N27 T31 | S23-D25 PolarHBondContact O-N 3.44Å; D25-N27 PolarHBondContact O-N 3.13Å; D25-N27 WeakPolarHBondContact OD2-CB 3.43Å; D25-T31 HydrophobicContact CB-CG2 3.29Å; D25-T31 VanDerWaalsContact O-CG2 3.26Å; D25-T31 WeakPolarHBondContact O-CG2 3.46Å; D25-T31 WeakPolarHBondContact OD2-CG2 3.43Å |
| 26 | D | 59.8 | Low | 61.3 | Low | 165 Ų | 165 | 129 Ų | 129 | 88% | 0.882 | 69% | 0.689 | S | S | * | * | | | trans | -66.2 | 50.4 | 170 | -92.3 | -53.9 | 0 | 0 | 0 | 109.1 | M24 P28 | M24-D26 VanDerWaalsContact C-N 3.31Å; M24-D26 PolarHBondContact O-N 3.31Å; D26-P28 WeakPolarHBondContact O-CD 3.42Å |
| 27 | N | 63.7 | Low | 61.3 | Low | 76 Ų | 76 | 124.1 Ų | 124.1 | 41% | 0.406 | 69% | 0.686 | S | S | . | * | | | trans | -89.9 | 116.5 | 170.1 | -169.7 | 9.5 | 0 | 0 | 0 | 107.3 | D25 F29 G30 | D25-N27 PolarHBondContact O-N 3.13Å; D25-N27 WeakPolarHBondContact OD2-CB 3.43Å; N27-F29 PolarHBondContact OD1-N 3.06Å; N27-F29 PolarHBondContact O-N 2.98Å; N27-G30 PolarHBondContact O-N 3.21Å |
| 28 | P | 66.8 | Low | 61.4 | Low | 120 Ų | 120 | 129.1 Ų | 129.1 | 78% | 0.779 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -7.4 | 175.6 | 25.6 | -33.9 | 0 | 0 | 0 | 113 | D26 | D26-P28 WeakPolarHBondContact O-CD 3.42Š|
| 29 | F | 59 | Low | 61.8 | Low | 188 Ų | 188 | 124.6 Ų | 124.6 | 83% | 0.825 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.5 | 26.5 | 171.3 | -74.5 | -86.7 | 0 | 0 | 0 | 114.3 | N27 | N27-F29 PolarHBondContact OD1-N 3.06Å; N27-F29 PolarHBondContact O-N 2.98Å |
| 30 | G | 65.1 | Low | 62.4 | Low | 47 Ų | 47 | 133 Ų | 133 | 49% | 0.485 | 69% | 0.687 | S | S | . | * | | | trans | 86.3 | 111 | 146.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | N27 R32 | N27-G30 PolarHBondContact O-N 3.21Å; G30-R32 PolarHBondContact O-N 2.93Å |
| 31 | T | 65.6 | Low | 63.1 | Low | 85 Ų | 85 | 130 Ų | 130 | 52% | 0.521 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -71 | 24.2 | 159.4 | 44.1 | 0 | 0 | 0 | 0 | 114.8 | D25 | D25-T31 HydrophobicContact CB-CG2 3.29Å; D25-T31 VanDerWaalsContact O-CG2 3.26Å; D25-T31 WeakPolarHBondContact O-CG2 3.46Å; D25-T31 WeakPolarHBondContact OD2-CG2 3.43Å |
| 32 | R | 65.5 | Low | 63.7 | Low | 212 Ų | 212 | 130 Ų | 130 | 80% | 0.8 | 68% | 0.679 | S | S | * | * | | | trans | -107.2 | 115.5 | -177.3 | -156.6 | 166.8 | -63.2 | -175.9 | 3.6 | 108.3 | G30 V34 | G30-R32 PolarHBondContact O-N 2.93Å; R32-V34 PolarHBondContact O-N 2.81Å |
| 33 | K | 64.7 | Low | 64.3 | Low | 189 Ų | 189 | 132.6 Ų | 132.6 | 82% | 0.822 | 68% | 0.683 | S | S | * | * | | | trans | -52.9 | 94 | 161.8 | -105.4 | 179.7 | 178.1 | 176.7 | 0 | 107.5 | R35 | K33-R35 HydrophobicContact CB-CG 4.37Å; K33-R35 PolarHBondContact O-N 3.09Å |
| 34 | V | 65.6 | Low | 65.1 | Low | 118 Ų | 118 | 136.6 Ų | 136.6 | 72% | 0.715 | 69% | 0.688 | S | S | * | * | | | trans | -79.2 | 78.1 | 166.8 | -176.5 | 0 | 0 | 0 | 0 | 105.1 | R32 S36 | R32-V34 PolarHBondContact O-N 2.81Å; V34-S36 PolarHBondContact O-N 2.96Å |
| 35 | R | 69.4 | Low | 65.7 | Low | 225 Ų | 225 | 133.8 Ų | 133.8 | 85% | 0.849 | 68% | 0.675 | S | S | * | * | | | trans | -75.5 | 75.9 | 160.5 | -62.2 | -176.5 | 80.7 | -141.4 | 6 | 106.3 | K33 | K33-R35 HydrophobicContact CB-CG 4.37Å; K33-R35 PolarHBondContact O-N 3.09Å |
| 36 | S | 63.8 | Low | 66.5 | Low | 70 Ų | 70 | 139.9 Ų | 139.9 | 49% | 0.49 | 70% | 0.697 | S | S | . | * | | | trans | -112.6 | 80.2 | 171.9 | -156.7 | 0 | 0 | 0 | 0 | 108.4 | V34 F38 G39 | V34-S36 PolarHBondContact O-N 2.96Å; S36-F38 VanDerWaalsContact C-N 3.28Å; S36-G39 WeakPolarHBondContact OG-CA 3.49Å; S36-G39 PolarHBondContact OG-N 3.38Å |
| 37 | S | 62.2 | Low | 66.5 | Low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -21.1 | 171.7 | 57.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 38 | F | 63.1 | Low | 66.6 | Low | 190 Ų | 190 | 140.4 Ų | 140.4 | 83% | 0.833 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | 65.1 | 174.4 | -49.9 | -74.1 | 0 | 0 | 0 | 108.5 | S36 R40 | S36-F38 VanDerWaalsContact C-N 3.28Å; F38-R40 PolarHBondContact O-N 3.18Å |
| 39 | G | 66.5 | Low | 66.7 | Low | 45 Ų | 45 | 143 Ų | 143 | 46% | 0.464 | 70% | 0.704 | S | S | . | * | | | trans | -55.8 | 131.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | S36 G41 | S36-G39 WeakPolarHBondContact OG-CA 3.49Å; S36-G39 PolarHBondContact OG-N 3.38Å; G39-G41 WeakPolarHBondContact O-CA 3.13Å; G39-G41 PolarHBondContact O-N 2.8Å |
| 40 | R | 71.9 | Confident | 67.2 | Low | 252 Ų | 252 | 145.9 Ų | 145.9 | 95% | 0.951 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -30 | 95.6 | -173.7 | -79.2 | 168.4 | 176.9 | 162.7 | -2.3 | 112.3 | F38 | F38-R40 PolarHBondContact O-N 3.18Š|
| 41 | G | 69.1 | Low | 67.1 | Low | 53 Ų | 53 | 146.8 Ų | 146.8 | 55% | 0.546 | 71% | 0.706 | S | S | . | * | | | trans | -156.6 | 40.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | G39 F43 | G39-G41 WeakPolarHBondContact O-CA 3.13Å; G39-G41 PolarHBondContact O-N 2.8Å; G41-F43 VanDerWaalsContact C-N 3.32Å; G41-F43 PolarHBondContact O-N 3.16Å |
| 42 | F | 70.6 | Confident | 67 | Low | 167 Ų | 167 | 148 Ų | 148 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | | | trans | -81.8 | 91.4 | 161 | 64.2 | -87.9 | 0 | 0 | 0 | 106.3 | K44 | F42-K44 HydrophobicContact CD2-CG 4.26Å; F42-K44 HydrophobicContact CE2-CG 4.13Å; F42-K44 PolarHBondContact O-N 3.22Å |
| 43 | F | 69.2 | Low | 67.1 | Low | 140 Ų | 140 | 141.6 Ų | 141.6 | 61% | 0.614 | 71% | 0.712 | S | S | * | * | | | trans | -55.7 | 117.4 | 170.3 | 39.6 | -89.1 | 0 | 0 | 0 | 107.4 | G41 I45 | G41-F43 VanDerWaalsContact C-N 3.32Å; G41-F43 PolarHBondContact O-N 3.16Å; F43-I45 HydrophobicContact CD2-CD1 3.87Å; F43-I45 PolarHBondContact O-N 3.04Å; F43-I45 HydrophobicContact CE2-CG1 3.86Å; F43-I45 HydrophobicContact CD2-CG1 3.53Å; F43-I45 HydrophobicContact CE2-CD1 3.62Å |
| 44 | K | 71.6 | Confident | 66.9 | Low | 191 Ų | 191 | 136.3 Ų | 136.3 | 83% | 0.83 | 70% | 0.704 | S | S | * | * | | | trans | -68.8 | 102.1 | 174.3 | -71.9 | -176.9 | 67.8 | 172.4 | 0 | 107.5 | F42 K46 | F42-K44 HydrophobicContact CD2-CG 4.26Å; F42-K44 HydrophobicContact CE2-CG 4.13Å; F42-K44 PolarHBondContact O-N 3.22Å; K44-K46 PolarHBondContact O-N 2.88Å |
| 45 | I | 71.8 | Confident | 66.8 | Low | 93 Ų | 93 | 136 Ų | 136 | 48% | 0.477 | 71% | 0.705 | S | S | . | * | | | trans | -76.5 | 114.8 | 176.3 | -55.6 | 167.3 | 0 | 0 | 0 | 108 | F43 T51 | F43-I45 HydrophobicContact CD2-CD1 3.87Å; F43-I45 PolarHBondContact O-N 3.04Å; F43-I45 HydrophobicContact CE2-CG1 3.86Å; F43-I45 HydrophobicContact CD2-CG1 3.53Å; F43-I45 HydrophobicContact CE2-CD1 3.62Å; I45-T51 WeakPolarHBondContact CD1-OG1 3.08Å |
| 46 | K | 71.6 | Confident | 66.3 | Low | 213 Ų | 213 | 132.1 Ų | 132.1 | 93% | 0.926 | 70% | 0.701 | S | S | * | * | | | trans | -107.2 | 88 | 159 | -173.9 | -171.7 | 167.6 | -171.1 | 0 | 107.6 | K44 | K44-K46 PolarHBondContact O-N 2.88Š|
| 47 | S | 60.8 | Low | 66.3 | Low | 72 Ų | 72 | 136.9 Ų | 136.9 | 50% | 0.503 | 72% | 0.72 | S | S | . | * | | | trans | -148 | 138.9 | 177.5 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | K49 | S47-K49 PolarHBondContact O-N 3.09Å; S47-K49 PolarHBondContact OG-N 3.19Å; S47-K49 PolarHBondContact OG-O 3.42Å; S47-K49 VanDerWaalsContact OG-O 3.13Å |
| 48 | N | 65.4 | Low | 66.3 | Low | 180 Ų | 180 | 133.9 Ų | 133.9 | 96% | 0.963 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -81 | 2.9 | 167 | -173.7 | 43.1 | 0 | 0 | 0 | 112 | | |
| 49 | K | 68.9 | Low | 65.9 | Low | 173 Ų | 173 | 131.6 Ų | 131.6 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -115.5 | 133.3 | -177.7 | -133.1 | -171.7 | -73 | -142.7 | 0 | 111 | S47 T51 | S47-K49 PolarHBondContact O-N 3.09Å; S47-K49 PolarHBondContact OG-N 3.19Å; S47-K49 PolarHBondContact OG-O 3.42Å; S47-K49 VanDerWaalsContact OG-O 3.13Å; K49-T51 PolarHBondContact O-N 3.07Å |
| 50 | R | 68.6 | Low | 65.3 | Low | 249 Ų | 249 | 137.9 Ų | 137.9 | 94% | 0.94 | 72% | 0.718 | S | S | * | * | | | trans | -55.8 | 120.6 | -178.4 | -165.4 | 173.7 | -175.9 | 173.3 | 0.5 | 110.2 | A52 | R50-A52 PolarHBondContact O-N 2.7Š|
| 51 | T | 64.1 | Low | 64.5 | Low | 67 Ų | 67 | 132.9 Ų | 132.9 | 41% | 0.411 | 71% | 0.71 | S | S | . | * | | | trans | -74.1 | 124.1 | 176.9 | -56.5 | 0 | 0 | 0 | 0 | 108.6 | I45 K49 S53 | I45-T51 WeakPolarHBondContact CD1-OG1 3.08Å; K49-T51 PolarHBondContact O-N 3.07Å; T51-S53 PolarHBondContact O-N 2.94Å |
| 52 | A | 62.9 | Low | 63.9 | Low | 110 Ų | 110 | 139.6 Ų | 139.6 | 91% | 0.909 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -73.5 | 14 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R50 | R50-A52 PolarHBondContact O-N 2.7Š|
| 53 | S | 66.4 | Low | 63.1 | Low | 77 Ų | 77 | 138.6 Ų | 138.6 | 54% | 0.538 | 73% | 0.729 | S | S | . | * | | | trans | -102 | 75.1 | 170.8 | 65.5 | 0 | 0 | 0 | 0 | 109.6 | T51 | T51-S53 PolarHBondContact O-N 2.94Š|
| 54 | A | 62 | Low | 62.4 | Low | 79 Ų | 79 | 135.7 Ų | 135.7 | 65% | 0.653 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -101 | 119.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 104.9 | N56 | A54-N56 PolarHBondContact O-N 2.87Š|
| 55 | P | 63.1 | Low | 61.7 | Low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 128.6 | -179.9 | 23.5 | -31.9 | 0 | 0 | 0 | 108.7 | L57 | P55-L57 PolarHBondContact O-N 2.91Å; P55-L57 VanDerWaalsContact O-N 3.09Å |
| 56 | N | 59.2 | Low | 60.8 | Low | 144 Ų | 144 | 135.7 Ų | 135.7 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 118 | 173.7 | -84.5 | -67.5 | 0 | 0 | 0 | 107.6 | A54 G58 Y60 | A54-N56 PolarHBondContact O-N 2.87Å; N56-G58 PolarHBondContact O-N 2.8Å; N56-Y60 PolarHBondContact O-OH 3.23Å |
| 57 | L | 63.7 | Low | 60 | Low | 169 Ų | 169 | 133.1 Ų | 133.1 | 89% | 0.885 | 74% | 0.74 | S | S | * | * | | | trans | -76.1 | 70.8 | 172 | -65.3 | 173.8 | 0 | 0 | 0 | 108 | P55 | P55-L57 PolarHBondContact O-N 2.91Å; P55-L57 VanDerWaalsContact O-N 3.09Å |
| 58 | G | 61.7 | Low | 59.8 | Low | 37 Ų | 37 | 137.2 Ų | 137.2 | 38% | 0.381 | 75% | 0.754 | S | S | . | * | | | trans | -77.8 | 131.2 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108 | N56 Y60 | N56-G58 PolarHBondContact O-N 2.8Å; G58-Y60 PolarHBondContact O-N 3.28Å; G58-Y60 WeakPolarHBondContact O-CD2 3.02Å; G58-Y60 WeakPolarHBondContact O-CE2 3.26Å |
| 59 | T | 54.3 | Low | 59 | Low | 142 Ų | 142 | 135.4 Ų | 135.4 | 87% | 0.871 | 74% | 0.744 | S | S | * | * | | | trans | -61.1 | 105.9 | 174.9 | 47.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 60 | Y | 53.9 | Low | 57.9 | Low | 177 Ų | 177 | 133.4 Ų | 133.4 | 69% | 0.694 | 75% | 0.749 | S | S | * | * | | | trans | -88.7 | 121.7 | 171.2 | -44.1 | -77.9 | 0 | 0 | 0 | 107.9 | N56 G58 | N56-Y60 PolarHBondContact O-OH 3.23Å; G58-Y60 PolarHBondContact O-N 3.28Å; G58-Y60 WeakPolarHBondContact O-CD2 3.02Å; G58-Y60 WeakPolarHBondContact O-CE2 3.26Å |
| 61 | D | 56.3 | Low | 56.6 | Low | 147 Ų | 147 | 129.5 Ų | 129.5 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | | | trans | -55.1 | 150 | 173.6 | -72 | -45.5 | 0 | 0 | 0 | 111.2 | N63 | D61-N63 PolarHBondContact O-N 2.77Š|
| 62 | Q | 56.1 | Low | 56 | Low | 194 Ų | 194 | 129.8 Ų | 129.8 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -63.8 | 9.2 | -162.3 | -63.4 | 177.4 | -7 | 0 | 0 | 116.6 | | |
| 63 | N | 53.5 | Low | 55.5 | Low | 145 Ų | 145 | 128.1 Ų | 128.1 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | | | trans | -113.3 | 36.5 | 178 | -70.6 | -8.1 | 0 | 0 | 0 | 112.8 | D61 F65 | D61-N63 PolarHBondContact O-N 2.77Å; N63-F65 PolarHBondContact O-N 2.8Å |
| 64 | A | 55 | Low | 54.6 | Low | 79 Ų | 79 | 131.6 Ų | 131.6 | 65% | 0.653 | 76% | 0.756 | S | S | * | * | | | trans | -70.1 | 72.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 65 | F | 55.6 | Low | 54.3 | Low | 197 Ų | 197 | 136.9 Ų | 136.9 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | -107.2 | 9 | 160.3 | -67.2 | -74.7 | 0 | 0 | 0 | 112.4 | N63 L67 | N63-F65 PolarHBondContact O-N 2.8Å; F65-L67 PolarHBondContact O-N 3.03Å; F65-L67 VanDerWaalsContact O-N 3.16Å |
| 66 | A | 54 | Low | 53.4 | Low | 87 Ų | 87 | 137.9 Ų | 137.9 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | | | trans | -72.9 | 107.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | I68 | A66-I68 PolarHBondContact O-N 2.85Š|
| 67 | L | 54.6 | Low | 53.1 | Low | 160 Ų | 160 | 136.9 Ų | 136.9 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | | | trans | -69.8 | 106.3 | 164 | -65.3 | 174.4 | 0 | 0 | 0 | 108 | F65 L69 | F65-L67 PolarHBondContact O-N 3.03Å; F65-L67 VanDerWaalsContact O-N 3.16Å; L67-L69 PolarHBondContact O-N 2.91Å; L67-L69 VanDerWaalsContact O-N 3.09Å |
| 68 | I | 56.9 | Low | 53 | Low | 158 Ų | 158 | 135.2 Ų | 135.2 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | | | trans | -73.1 | 101.5 | 168.4 | -59.4 | -170.6 | 0 | 0 | 0 | 107.3 | A66 P70 | A66-I68 PolarHBondContact O-N 2.85Å; I68-P70 WeakPolarHBondContact O-CD 3Å |
| 69 | L | 47.3 | Very low | 52.9 | Low | 142 Ų | 142 | 138.9 Ų | 138.9 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | -75.2 | 122.3 | 167.8 | -66.2 | 174.1 | 0 | 0 | 0 | 108.4 | L67 Q71 | L67-L69 PolarHBondContact O-N 2.91Å; L67-L69 VanDerWaalsContact O-N 3.09Å; L69-Q71 PolarHBondContact O-N 3.05Å |
| 70 | P | 46.6 | Very low | 52.8 | Low | 131 Ų | 131 | 141.4 Ų | 141.4 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -78.1 | 77.2 | 169.3 | 32.5 | -31.5 | 0 | 0 | 0 | 108 | I68 | I68-P70 WeakPolarHBondContact O-CD 3Š|
| 71 | Q | 41.1 | Very low | 53.2 | Low | 167 Ų | 167 | 138.1 Ų | 138.1 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | trans | -102.7 | 105.9 | 161.7 | -152.9 | 165.5 | 64.1 | 0 | 0 | 107.1 | L69 G73 | L69-Q71 PolarHBondContact O-N 3.05Å; Q71-G73 PolarHBondContact O-N 2.76Å |
| 72 | G | 51 | Low | 53.4 | Low | 73 Ų | 73 | 142.3 Ų | 142.3 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | -51.3 | 137.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 73 | G | 52.8 | Low | 53.7 | Low | 74 Ų | 74 | 137.1 Ų | 137.1 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 66.9 | 61.8 | 151.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q71 | Q71-G73 PolarHBondContact O-N 2.76Š|
| 74 | K | 48.5 | Very low | 53.8 | Low | 151 Ų | 151 | 139.7 Ų | 139.7 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | | | trans | -178.7 | 105.3 | 132.7 | 46.3 | -158.6 | 167.5 | 66.8 | 0 | 108.5 | Q76 | K74-Q76 VanDerWaalsContact C-N 3.27Å; K74-Q76 PolarHBondContact O-N 3.2Å |
| 75 | E | 54.4 | Low | 53.8 | Low | 190 Ų | 190 | 144.1 Ų | 144.1 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | -50.8 | 91.1 | 165.1 | -53.1 | -68.3 | 130.5 | 0 | 0 | 108.5 | | |
| 76 | Q | 45.3 | Very low | 53.6 | Low | 131 Ų | 131 | 146.4 Ų | 146.4 | 61% | 0.612 | 79% | 0.793 | S | S | * | * | | | trans | -123.1 | 81.2 | 166.4 | -70.6 | -165.4 | 50.9 | 0 | 0 | 106.8 | K74 L78 | K74-Q76 VanDerWaalsContact C-N 3.27Å; K74-Q76 PolarHBondContact O-N 3.2Å; Q76-L78 PolarHBondContact O-N 2.89Å |
| 77 | C | 52.2 | Low | 53.6 | Low | 123 Ų | 123 | 149.4 Ų | 149.4 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | | | trans | -61.7 | 89.7 | 158.8 | -86.5 | 0 | 0 | 0 | 0 | 107.7 | P79 | C77-P79 WeakPolarHBondContact O-CD 3.11Š|
| 78 | L | 61.9 | Low | 53.5 | Low | 134 Ų | 134 | 148.8 Ų | 148.8 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 116.6 | 162.5 | -62.1 | -176.1 | 0 | 0 | 0 | 106.7 | Q76 F80 | Q76-L78 PolarHBondContact O-N 2.89Å; L78-F80 PolarHBondContact O-N 3.3Å |
| 79 | P | 60 | Low | 53.3 | Low | 114 Ų | 114 | 148.3 Ų | 148.3 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 123.8 | 173.2 | 26.6 | -31.6 | 0 | 0 | 0 | 107.3 | C77 | C77-P79 WeakPolarHBondContact O-CD 3.11Š|
| 80 | F | 51.3 | Low | 53.7 | Low | 196 Ų | 196 | 148.6 Ų | 148.6 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 128.1 | 165.8 | -77.9 | -80.8 | 0 | 0 | 0 | 107.4 | L78 Y82 | L78-F80 PolarHBondContact O-N 3.3Å; F80-Y82 PolarHBondContact O-N 3.2Å |
| 81 | P | 62.9 | Low | 54.1 | Low | 107 Ų | 107 | 149.8 Ų | 149.8 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 129.7 | 176.5 | 24 | -31.5 | 0 | 0 | 0 | 108.6 | S83 | P81-S83 PolarHBondContact O-N 3.14Š|
| 82 | Y | 60 | Low | 55 | Low | 236 Ų | 236 | 148.6 Ų | 148.6 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -68.1 | 69.1 | 177.4 | -134.4 | -89.4 | 0 | 0 | 0 | 109.3 | F80 | F80-Y82 PolarHBondContact O-N 3.2Š|
| 83 | S | 61.8 | Low | 55.2 | Low | 85 Ų | 85 | 154 Ų | 154 | 59% | 0.594 | 80% | 0.796 | S | S | * | * | | | trans | -163.9 | 84.5 | -176.7 | -55 | 0 | 0 | 0 | 0 | 105.5 | P81 | P81-S83 PolarHBondContact O-N 3.14Š|
| 84 | F | 56.8 | Low | 55.4 | Low | 199 Ų | 199 | 160.2 Ų | 160.2 | 87% | 0.873 | 80% | 0.799 | S | S | * | * | | | | -171.3 | 88.6 | 95.8 | -108.5 | -104.5 | 0 | 0 | 0 | 106.4 | | |
| 85 | I | 55 | Low | 56 | Low | 171 Ų | 171 | 160.9 Ų | 160.9 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | | | trans | -89.7 | 117.7 | 157 | -61.7 | -68.3 | 0 | 0 | 0 | 105.5 | | |
| 86 | H | 50.7 | Low | 56.2 | Low | 245 Ų | 245 | 158.3 Ų | 158.3 | 100% | 1.134 | 80% | 0.804 | S | S | * | * | | | trans | -150.9 | 0 | 153.9 | -164.6 | -61.5 | 0 | 0 | 0 | 109.4 | | |