| 1 | M | 43.9 | Very low | 55.9 | Low | 243 Ų | 243 | 155.5 Ų | 155.5 | 100% | 1.197 | 81% | 0.81 | S | S | * | * | | | | 0 | 98.5 | 0 | -89.4 | 149.7 | 133.6 | 0 | 0 | 106.9 | | |
| 2 | N | 45.5 | Very low | 55.7 | Low | 166 Ų | 166 | 157.5 Ų | 157.5 | 89% | 0.888 | 81% | 0.812 | S | S | * | * | | | trans | -98.8 | 112.1 | -178.4 | -73.1 | 2 | 0 | 0 | 0 | 108.4 | | |
| 3 | N | 57.2 | Low | 55.8 | Low | 134 Ų | 134 | 156.8 Ų | 156.8 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | | | trans | -112.2 | 90.2 | 168.7 | -156.3 | 49.1 | 0 | 0 | 0 | 107.6 | D5 | N3-D5 PolarHBondContact ND2-OD2 2.9Š|
| 4 | S | 61.4 | Low | 56 | Low | 111 Ų | 111 | 155.1 Ų | 155.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | -101 | 86.6 | 174.2 | -138.1 | 0 | 0 | 0 | 0 | 107.2 | N6 | S4-N6 PolarHBondContact O-N 3.07Š|
| 5 | D | 62.8 | Low | 56 | Low | 121 Ų | 121 | 158.3 Ų | 158.3 | 65% | 0.647 | 81% | 0.805 | S | S | * | * | | | trans | -68.1 | 113.5 | 176.2 | -76 | -49.5 | 0 | 0 | 0 | 109.9 | N3 N7 | N3-D5 PolarHBondContact ND2-OD2 2.9Å; D5-N7 PolarHBondContact O-N 3.25Å |
| 6 | N | 58.6 | Low | 55.9 | Low | 156 Ų | 156 | 151.6 Ų | 151.6 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | | | trans | -65.7 | 97.4 | 177.6 | -86.7 | -40 | 0 | 0 | 0 | 111.3 | S4 N8 | S4-N6 PolarHBondContact O-N 3.07Å; N6-N8 PolarHBondContact O-N 3.41Å |
| 7 | N | 57.4 | Low | 56.4 | Low | 157 Ų | 157 | 150.2 Ų | 150.2 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -74.9 | 58.5 | 167.9 | -85.6 | -42.4 | 0 | 0 | 0 | 112.4 | D5 K9 | D5-N7 PolarHBondContact O-N 3.25Å; N7-K9 PolarHBondContact O-N 2.96Å |
| 8 | N | 56.7 | Low | 56.2 | Low | 128 Ų | 128 | 146.7 Ų | 146.7 | 68% | 0.684 | 77% | 0.773 | S | S | * | * | | | trans | -99.2 | 51.7 | 177.5 | -153.5 | 7.8 | 0 | 0 | 0 | 111.9 | N6 | N6-N8 PolarHBondContact O-N 3.41Š|
| 9 | K | 57.9 | Low | 56.4 | Low | 200 Ų | 200 | 144.6 Ų | 144.6 | 87% | 0.87 | 78% | 0.779 | S | S | * | * | | | trans | -93.9 | 8 | 178.7 | -102.5 | -177.4 | 173.1 | 175.8 | 0 | 114.3 | N7 | N7-K9 PolarHBondContact O-N 2.96Š|
| 10 | E | 57.2 | Low | 56.6 | Low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -96.3 | 6.6 | -171.4 | -64.6 | -169.6 | 161.1 | 0 | 0 | 115.5 | | |
| 11 | N | 56.3 | Low | 56.7 | Low | 119 Ų | 119 | 141.6 Ų | 141.6 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | | | trans | -123.9 | 29.3 | -174.8 | -72.9 | -63.6 | 0 | 0 | 0 | 114.8 | K13 | N11-K13 PolarHBondContact O-N 3.26Š|
| 12 | E | 53.4 | Low | 57.3 | Low | 179 Ų | 179 | 133 Ų | 133 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | | | trans | -72.3 | 78.3 | 165.2 | -162.3 | 174.3 | 177.6 | 0 | 0 | 108.9 | V14 | E12-V14 VanDerWaalsContact C-N 3.31Å; E12-V14 PolarHBondContact O-N 2.85Å |
| 13 | K | 57.6 | Low | 57.8 | Low | 149 Ų | 149 | 132.1 Ų | 132.1 | 65% | 0.648 | 73% | 0.726 | S | S | * | * | | | trans | -61.3 | 96.4 | 170.7 | -71.8 | -173.1 | 179.2 | -174.8 | 0 | 107.5 | N11 K15 N24 | N11-K13 PolarHBondContact O-N 3.26Å; K13-K15 PolarHBondContact O-N 2.76Å; K13-N24 PolarHBondContact NZ-OD1 3.14Å |
| 14 | V | 57.5 | Low | 57.8 | Low | 133 Ų | 133 | 131.3 Ų | 131.3 | 81% | 0.806 | 72% | 0.722 | S | S | * | * | | | trans | -48.5 | 108.1 | 167.5 | 178.1 | 0 | 0 | 0 | 0 | 107.2 | E12 S16 | E12-V14 VanDerWaalsContact C-N 3.31Å; E12-V14 PolarHBondContact O-N 2.85Å; V14-S16 PolarHBondContact O-N 2.91Å |
| 15 | K | 55.9 | Low | 57.5 | Low | 202 Ų | 202 | 137.1 Ų | 137.1 | 88% | 0.878 | 73% | 0.728 | S | S | * | * | | | trans | -65.2 | 99.4 | 174.9 | -73.8 | -178.5 | 179.7 | 177.6 | 0 | 106.9 | K13 S17 | K13-K15 PolarHBondContact O-N 2.76Å; K15-S17 PolarHBondContact O-N 2.82Å |
| 16 | S | 55.7 | Low | 57.1 | Low | 52 Ų | 52 | 137.1 Ų | 137.1 | 36% | 0.364 | 73% | 0.733 | S | S | . | * | | | trans | -59.3 | 130.2 | 172.7 | 144.6 | 0 | 0 | 0 | 0 | 109.1 | V14 C18 S21 | V14-S16 PolarHBondContact O-N 2.91Å; S16-C18 PolarHBondContact O-N 3.25Å; S16-C18 VanDerWaalsContact O-N 3.12Å; S16-C18 WeakPolarHBondContact OG-CB 3.25Å; S16-C18 PolarHBondContact OG-N 3.24Å; S16-C18 VanDerWaalsContact OG-N 3.14Å; S16-S21 VanDerWaalsContact CB-CB 3.43Å; S16-S21 VanDerWaalsContact CB-OG 3.25Å; S16-S21 WeakPolarHBondContact CB-OG 3.37Å; S16-S21 WeakPolarHBondContact OG-CB 2.97Å; S16-S21 PolarHBondContact OG-OG 2.75Å |
| 17 | S | 63.9 | Low | 56.8 | Low | 128 Ų | 128 | 133.5 Ų | 133.5 | 90% | 0.895 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -62.5 | -11.1 | 175.8 | 149.4 | 0 | 0 | 0 | 0 | 113.7 | K15 A19 | K15-S17 PolarHBondContact O-N 2.82Å; S17-A19 PolarHBondContact O-N 3.26Å |
| 18 | C | 51.8 | Low | 56.7 | Low | 86 Ų | 86 | 133.6 Ų | 133.6 | 58% | 0.581 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -69.3 | 122.5 | 173.8 | -63 | 0 | 0 | 0 | 0 | 110.4 | S16 F20 S21 | S16-C18 PolarHBondContact O-N 3.25Å; S16-C18 VanDerWaalsContact O-N 3.12Å; S16-C18 WeakPolarHBondContact OG-CB 3.25Å; S16-C18 PolarHBondContact OG-N 3.24Å; S16-C18 VanDerWaalsContact OG-N 3.14Å; C18-F20 PolarHBondContact O-N 2.97Å; C18-S21 PolarHBondContact O-N 3.02Å |
| 19 | A | 60.7 | Low | 56.4 | Low | 107 Ų | 107 | 135.8 Ų | 135.8 | 88% | 0.884 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -19.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S17 | S17-A19 PolarHBondContact O-N 3.26Š|
| 20 | F | 59.7 | Low | 56.5 | Low | 152 Ų | 152 | 133.9 Ų | 133.9 | 67% | 0.667 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -9.6 | 177.5 | -86.2 | -86.2 | 0 | 0 | 0 | 115.4 | C18 G22 | C18-F20 PolarHBondContact O-N 2.97Å; F20-G22 VanDerWaalsContact C-N 3.3Å; F20-G22 PolarHBondContact O-N 3.33Å |
| 21 | S | 59 | Low | 56.7 | Low | 74 Ų | 74 | 137.5 Ų | 137.5 | 52% | 0.517 | 75% | 0.747 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87 | 3.3 | -169.9 | -165.1 | 0 | 0 | 0 | 0 | 114.5 | S16 C18 | S16-S21 VanDerWaalsContact CB-CB 3.43Å; S16-S21 VanDerWaalsContact CB-OG 3.25Å; S16-S21 WeakPolarHBondContact CB-OG 3.37Å; S16-S21 WeakPolarHBondContact OG-CB 2.97Å; S16-S21 PolarHBondContact OG-OG 2.75Å; C18-S21 PolarHBondContact O-N 3.02Å |
| 22 | G | 56.8 | Low | 57.2 | Low | 64 Ų | 64 | 142.5 Ų | 142.5 | 66% | 0.66 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 3.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | F20 N24 | F20-G22 VanDerWaalsContact C-N 3.3Å; F20-G22 PolarHBondContact O-N 3.33Å; G22-N24 PolarHBondContact O-N 2.91Å |
| 23 | Q | 56.6 | Low | 58 | Low | 146 Ų | 146 | 143.8 Ų | 143.8 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | | | trans | -84.9 | 103.7 | -179.3 | -71.6 | -175.5 | -1.9 | 0 | 0 | 110.7 | Y25 | Q23-Y25 PolarHBondContact O-N 3.35Š|
| 24 | N | 56.7 | Low | 58.5 | Low | 118 Ų | 118 | 140.6 Ų | 140.6 | 63% | 0.631 | 76% | 0.755 | S | S | * | * | | | trans | -57.5 | 120.2 | 168.2 | -73.7 | -65.9 | 0 | 0 | 0 | 109.2 | K13 G22 T26 | K13-N24 PolarHBondContact NZ-OD1 3.14Å; G22-N24 PolarHBondContact O-N 2.91Å; N24-T26 PolarHBondContact O-N 3.23Å |
| 25 | Y | 54.8 | Low | 59.4 | Low | 233 Ų | 233 | 141.2 Ų | 141.2 | 91% | 0.914 | 75% | 0.753 | S | S | * | * | | | trans | -64 | 95.4 | 176.5 | -61.1 | -86.1 | 0 | 0 | 0 | 110.7 | Q23 G27 | Q23-Y25 PolarHBondContact O-N 3.35Å; Y25-G27 PolarHBondContact O-N 3.28Å |
| 26 | T | 54.7 | Low | 60.5 | Low | 120 Ų | 120 | 134.2 Ų | 134.2 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | | | trans | -85.1 | 88.9 | 169.9 | 38.5 | 0 | 0 | 0 | 0 | 110.5 | N24 N28 | N24-T26 PolarHBondContact O-N 3.23Å; T26-N28 VanDerWaalsContact C-N 3.32Å; T26-N28 PolarHBondContact O-N 3.3Å |
| 27 | G | 52.7 | Low | 61.8 | Low | 81 Ų | 81 | 136.7 Ų | 136.7 | 84% | 0.835 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 56.2 | -31 | 139 | 0 | 0 | 0 | 0 | 0 | 123.7 | Y25 | Y25-G27 PolarHBondContact O-N 3.28Š|
| 28 | N | 54.6 | Low | 62.7 | Low | 158 Ų | 158 | 133.5 Ų | 133.5 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -166.5 | 49.8 | -170.6 | -146.4 | -13.5 | 0 | 0 | 0 | 115.7 | T26 | T26-N28 VanDerWaalsContact C-N 3.32Å; T26-N28 PolarHBondContact O-N 3.3Å |
| 29 | M | 51.9 | Low | 64.1 | Low | 174 Ų | 174 | 132.9 Ų | 132.9 | 86% | 0.857 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -140.1 | 140.4 | 174.1 | -66.3 | -157.6 | -168.4 | 0 | 0 | 111.6 | R31 | M29-R31 PolarHBondContact O-N 2.9Š|
| 30 | D | 58.3 | Low | 65.1 | Low | 161 Ų | 161 | 131 Ų | 131 | 86% | 0.861 | 73% | 0.725 | S | S | * | * | | | trans | -19.8 | 115.3 | 171.5 | -104.4 | -43.4 | 0 | 0 | 0 | 113.1 | R32 | D30-R32 VanDerWaalsContact C-N 3.31Å; D30-R32 PolarHBondContact O-N 3.36Å |
| 31 | R | 61.9 | Low | 66.2 | Low | 251 Ų | 251 | 128.7 Ų | 128.7 | 95% | 0.947 | 72% | 0.716 | S | S | * | * | | | trans | -60.6 | 94.1 | 176.8 | -76.8 | -170.2 | -173.2 | -169.4 | 3.3 | 108.8 | M29 K33 | M29-R31 PolarHBondContact O-N 2.9Å; R31-K33 PolarHBondContact O-N 2.88Å |
| 32 | R | 67.9 | Low | 67.5 | Low | 225 Ų | 225 | 127.2 Ų | 127.2 | 85% | 0.849 | 71% | 0.706 | S | S | * | * | | | trans | -63.9 | 109.2 | 169.7 | -67.8 | -173.7 | -175.9 | -179.1 | 1.9 | 108.1 | D30 C34 | D30-R32 VanDerWaalsContact C-N 3.31Å; D30-R32 PolarHBondContact O-N 3.36Å; R32-C34 PolarHBondContact O-N 3.12Å |
| 33 | K | 69 | Low | 68.8 | Low | 205 Ų | 205 | 130.5 Ų | 130.5 | 89% | 0.891 | 71% | 0.707 | S | S | * | * | | | trans | -77.2 | 107.1 | 171.4 | -169.1 | 174.5 | -177.1 | -179.7 | 0 | 107.8 | R31 | R31-K33 PolarHBondContact O-N 2.88Š|
| 34 | C | 68.5 | Low | 70.3 | Confident | 82 Ų | 82 | 128 Ų | 128 | 55% | 0.554 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 140.1 | 169.6 | -61.9 | 0 | 0 | 0 | 0 | 109.1 | R32 | R32-C34 PolarHBondContact O-N 3.12Š|
| 35 | I | 76.5 | Confident | 71.6 | Confident | 147 Ų | 147 | 126.1 Ų | 126.1 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 137.8 | 167.8 | -56.2 | 174 | 0 | 0 | 0 | 106.8 | | |
| 36 | G | 79.2 | Confident | 72.9 | Confident | 54 Ų | 54 | 120 Ų | 120 | 56% | 0.557 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 159.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S38 Q41 | G36-S38 PolarHBondContact O-N 3.22Å; G36-Q41 PolarHBondContact O-NE2 3.07Å; G36-Q41 VanDerWaalsContact O-NE2 3.07Å |
| 37 | A | 82.2 | Confident | 74.3 | Confident | 105 Ų | 105 | 118 Ų | 118 | 87% | 0.868 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 133.6 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 38 | S | 82.5 | Confident | 75.9 | Confident | 60 Ų | 60 | 116.9 Ų | 116.9 | 42% | 0.42 | 64% | 0.637 | S | S | . | * | | | trans | -139.7 | 149.3 | 175.3 | 73.2 | 0 | 0 | 0 | 0 | 110.7 | G36 A40 Q41 | G36-S38 PolarHBondContact O-N 3.22Å; S38-A40 PolarHBondContact O-N 2.87Å; S38-Q41 WeakPolarHBondContact O-CB 3.37Å; S38-Q41 PolarHBondContact O-N 2.99Å |
| 39 | A | 82.6 | Confident | 77.3 | Confident | 74 Ų | 74 | 111.3 Ų | 111.3 | 61% | 0.612 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -60.5 | -27.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q41 S42 I45 | A39-Q41 PolarHBondContact O-N 3.42Å; A39-Q41 VanDerWaalsContact O-N 3.14Å; A39-S42 WeakPolarHBondContact O-CB 3.08Å; A39-S42 PolarHBondContact O-N 3.49Å; A39-I45 HydrophobicContact CB-CD1 4.27Å |
| 40 | A | 80.6 | Confident | 78.7 | Confident | 68 Ų | 68 | 106.6 Ų | 106.6 | 56% | 0.562 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -61.3 | -18.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | S38 S42 Q46 | S38-A40 PolarHBondContact O-N 2.87Å; A40-S42 VanDerWaalsContact C-N 3.26Å; A40-Q46 WeakPolarHBondContact O-CG 3.47Å; A40-Q46 PolarHBondContact O-NE2 3.23Å |
| 41 | Q | 82.6 | Confident | 80.1 | Confident | 102 Ų | 102 | 106.8 Ų | 106.8 | 48% | 0.477 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -81.2 | -4.2 | 172.5 | -63.9 | 169.7 | 14.5 | 0 | 0 | 112.8 | G36 S38 A39 I43 | G36-Q41 PolarHBondContact O-NE2 3.07Å; G36-Q41 VanDerWaalsContact O-NE2 3.07Å; S38-Q41 WeakPolarHBondContact O-CB 3.37Å; S38-Q41 PolarHBondContact O-N 2.99Å; A39-Q41 PolarHBondContact O-N 3.42Å; A39-Q41 VanDerWaalsContact O-N 3.14Å; Q41-I43 PolarHBondContact O-N 3.14Å |
| 42 | S | 85.9 | Confident | 81.4 | Confident | 44 Ų | 44 | 101.3 Ų | 101.3 | 31% | 0.308 | 57% | 0.572 | S | S | . | * | | | trans | -66.8 | 121.1 | 172.7 | 179 | 0 | 0 | 0 | 0 | 110.3 | A39 A40 T44 I45 Q46 | A39-S42 WeakPolarHBondContact O-CB 3.08Å; A39-S42 PolarHBondContact O-N 3.49Å; A40-S42 VanDerWaalsContact C-N 3.26Å; S42-T44 PolarHBondContact O-N 3.16Å; S42-T44 PolarHBondContact OG-N 3.25Å; S42-I45 PolarHBondContact O-N 3.12Å; S42-Q46 PolarHBondContact O-N 3.5Å; S42-Q46 VanDerWaalsContact O-N 3.08Å |
| 43 | I | 85.5 | Confident | 82.1 | Confident | 133 Ų | 133 | 98.7 Ų | 98.7 | 68% | 0.682 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -56.6 | -42.6 | 175.9 | -62.5 | 170.2 | 0 | 0 | 0 | 109.8 | Q41 I45 Q46 T47 | Q41-I43 PolarHBondContact O-N 3.14Å; I43-I45 PolarHBondContact O-N 3.4Å; I43-Q46 PolarHBondContact O-N 2.72Å; I43-T47 HydrophobicContact CG2-CG2 4.07Å; I43-T47 WeakPolarHBondContact O-CB 3.39Å; I43-T47 VanDerWaalsContact O-CG2 3.29Å; I43-T47 WeakPolarHBondContact O-CG2 3.34Å; I43-T47 PolarHBondContact O-N 2.93Å; I43-T47 PolarHBondContact O-OG1 2.86Å; I43-T47 VanDerWaalsContact O-OG1 3.07Å |
| 44 | T | 87.4 | Confident | 82.5 | Confident | 94 Ų | 94 | 92.9 Ų | 92.9 | 58% | 0.577 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59 | -47.3 | -179.8 | -51.2 | 0 | 0 | 0 | 0 | 111.4 | S42 T47 C48 | S42-T44 PolarHBondContact O-N 3.16Å; S42-T44 PolarHBondContact OG-N 3.25Å; T44-T47 WeakPolarHBondContact CA-OG1 3.41Å; T44-T47 PolarHBondContact O-N 3.48Å; T44-T47 PolarHBondContact O-OG1 2.77Å; T44-C48 PolarHBondContact O-N 3.08Å; T44-C48 PolarHBondContact O-SG 3.32Å |
| 45 | I | 83.7 | Confident | 83 | Confident | 77 Ų | 77 | 97 Ų | 97 | 40% | 0.395 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65 | -45.6 | -178.7 | -62.1 | 178.6 | 0 | 0 | 0 | 110.2 | A39 S42 I43 T47 C48 D49 | A39-I45 HydrophobicContact CB-CD1 4.27Å; S42-I45 PolarHBondContact O-N 3.12Å; I43-I45 PolarHBondContact O-N 3.4Å; I45-T47 VanDerWaalsContact C-N 3.32Å; I45-T47 PolarHBondContact O-N 3.26Å; I45-C48 PolarHBondContact O-N 3.22Å; I45-D49 PolarHBondContact O-N 3.33Å |
| 46 | Q | 82.1 | Confident | 82.8 | Confident | 105 Ų | 105 | 95.8 Ų | 95.8 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 176 | -69.6 | 179.8 | 40.5 | 0 | 0 | 112.6 | A40 S42 I43 D49 A50 | A40-Q46 WeakPolarHBondContact O-CG 3.47Å; A40-Q46 PolarHBondContact O-NE2 3.23Å; S42-Q46 PolarHBondContact O-N 3.5Å; S42-Q46 VanDerWaalsContact O-N 3.08Å; I43-Q46 PolarHBondContact O-N 2.72Å; Q46-D49 PolarHBondContact O-N 3.19Å; Q46-A50 WeakPolarHBondContact O-CB 3.29Å; Q46-A50 PolarHBondContact O-N 2.88Å |
| 47 | T | 85.3 | Confident | 82.7 | Confident | 79 Ų | 79 | 101.3 Ų | 101.3 | 49% | 0.485 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.2 | -37.7 | 176.8 | 54.1 | 0 | 0 | 0 | 0 | 112.2 | I43 T44 I45 A50 F51 | I43-T47 HydrophobicContact CG2-CG2 4.07Å; I43-T47 WeakPolarHBondContact O-CB 3.39Å; I43-T47 VanDerWaalsContact O-CG2 3.29Å; I43-T47 WeakPolarHBondContact O-CG2 3.34Å; I43-T47 PolarHBondContact O-N 2.93Å; I43-T47 PolarHBondContact O-OG1 2.86Å; I43-T47 VanDerWaalsContact O-OG1 3.07Å; T44-T47 WeakPolarHBondContact CA-OG1 3.41Å; T44-T47 PolarHBondContact O-N 3.48Å; T44-T47 PolarHBondContact O-OG1 2.77Å; I45-T47 VanDerWaalsContact C-N 3.32Å; I45-T47 PolarHBondContact O-N 3.26Å; T47-A50 PolarHBondContact O-N 3.39Å; T47-F51 VanDerWaalsContact O-CB 3.27Å; T47-F51 WeakPolarHBondContact O-CB 3.16Å; T47-F51 PolarHBondContact O-N 2.96Å |
| 48 | C | 85.4 | Confident | 82.1 | Confident | 57 Ų | 57 | 101.2 Ų | 101.2 | 39% | 0.385 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64 | -45.5 | 173.6 | -67.6 | 0 | 0 | 0 | 0 | 111 | T44 I45 A50 F51 F52 | T44-C48 PolarHBondContact O-N 3.08Å; T44-C48 PolarHBondContact O-SG 3.32Å; I45-C48 PolarHBondContact O-N 3.22Å; C48-A50 VanDerWaalsContact C-N 3.3Å; C48-A50 PolarHBondContact O-N 3.41Å; C48-F51 PolarHBondContact O-N 3.22Å; C48-F52 WeakPolarHBondContact O-CD2 3.27Å; C48-F52 PolarHBondContact O-N 3.42Å |
| 49 | D | 83.4 | Confident | 81.7 | Confident | 41 Ų | 41 | 101.7 Ų | 101.7 | 22% | 0.219 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -57.6 | -44.5 | 176 | -72.2 | -30.5 | 0 | 0 | 0 | 111.3 | I45 Q46 Q53 I54 H56 | I45-D49 PolarHBondContact O-N 3.33Å; Q46-D49 PolarHBondContact O-N 3.19Å; D49-Q53 PolarHBondContact O-N 3.18Å; D49-I54 PolarHBondContact O-N 3.33Å; D49-H56 IonicContact OD1-CD2 3.78Å; D49-H56 IonicContact OD1-CE1 3.86Å; D49-H56 IonicContact OD1-NE2 2.86Å; D49-H56 PolarHBondContact OD1-NE2 3.45Å; D49-H56 IonicContact OD2-CD2 3.48Å; D49-H56 PolarHBondContact OD2-CD2 3.06Å; D49-H56 IonicContact OD2-NE2 3.16Å; D49-H56 PolarHBondContact OD2-NE2 3.29Å; D49-H56 VanDerWaalsContact OD2-NE2 3.16Å |
| 50 | A | 83 | Confident | 80.1 | Confident | 74 Ų | 74 | 111.8 Ų | 111.8 | 61% | 0.612 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67 | -43.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q46 T47 C48 F52 Q53 | Q46-A50 WeakPolarHBondContact O-CB 3.29Å; Q46-A50 PolarHBondContact O-N 2.88Å; T47-A50 PolarHBondContact O-N 3.39Å; C48-A50 VanDerWaalsContact C-N 3.3Å; C48-A50 PolarHBondContact O-N 3.41Å; A50-F52 VanDerWaalsContact C-N 3.34Å; A50-F52 PolarHBondContact O-N 2.93Å; A50-Q53 PolarHBondContact O-N 3.38Å; A50-Q53 VanDerWaalsContact O-N 3.14Å |
| 51 | F | 87.5 | Confident | 80.1 | Confident | 165 Ų | 165 | 114 Ų | 114 | 72% | 0.724 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.2 | -41.4 | -179.5 | -174.5 | -97.8 | 0 | 0 | 0 | 112 | T47 C48 Q53 | T47-F51 VanDerWaalsContact O-CB 3.27Å; T47-F51 WeakPolarHBondContact O-CB 3.16Å; T47-F51 PolarHBondContact O-N 2.96Å; C48-F51 PolarHBondContact O-N 3.22Å; F51-Q53 VanDerWaalsContact C-N 3.27Å; F51-Q53 PolarHBondContact O-N 2.83Å |
| 52 | F | 89.5 | Confident | 79.9 | Confident | 136 Ų | 136 | 114.6 Ų | 114.6 | 60% | 0.596 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 5.2 | 177.8 | -65.1 | -60.8 | 0 | 0 | 0 | 113.8 | C48 A50 I54 | C48-F52 WeakPolarHBondContact O-CD2 3.27Å; C48-F52 PolarHBondContact O-N 3.42Å; A50-F52 VanDerWaalsContact C-N 3.34Å; A50-F52 PolarHBondContact O-N 2.93Å; F52-I54 HydrophobicContact CB-CD1 3.77Å; F52-I54 HydrophobicContact CB-CG1 3.74Å; F52-I54 PolarHBondContact O-N 3.21Å |
| 53 | Q | 82 | Confident | 79.6 | Confident | 170 Ų | 170 | 118.6 Ų | 118.6 | 79% | 0.794 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53.5 | 31.2 | -175.7 | -58.3 | -179.8 | 51.4 | 0 | 0 | 113.3 | D49 A50 F51 K55 | D49-Q53 PolarHBondContact O-N 3.18Å; A50-Q53 PolarHBondContact O-N 3.38Å; A50-Q53 VanDerWaalsContact O-N 3.14Å; F51-Q53 VanDerWaalsContact C-N 3.27Å; F51-Q53 PolarHBondContact O-N 2.83Å; Q53-K55 PolarHBondContact O-N 3.07Å |
| 54 | I | 77.3 | Confident | 79.2 | Confident | 84 Ų | 84 | 117.7 Ų | 117.7 | 43% | 0.431 | 61% | 0.613 | S | S | . | * | | | trans | -75.3 | 109.8 | 179.2 | -61.4 | 172 | 0 | 0 | 0 | 108.1 | D49 F52 H56 | D49-I54 PolarHBondContact O-N 3.33Å; F52-I54 HydrophobicContact CB-CD1 3.77Å; F52-I54 HydrophobicContact CB-CG1 3.74Å; F52-I54 PolarHBondContact O-N 3.21Å; I54-H56 PolarHBondContact O-N 3.14Å |
| 55 | K | 78 | Confident | 78.7 | Confident | 169 Ų | 169 | 119.2 Ų | 119.2 | 74% | 0.735 | 62% | 0.615 | S | S | * | * | | | trans | -91.5 | 100.2 | 172.7 | -65.7 | -175.9 | -178.1 | -180 | 0 | 109.3 | Q53 H57 | Q53-K55 PolarHBondContact O-N 3.07Å; K55-H57 PolarHBondContact O-N 3.45Å |
| 56 | H | 73 | Confident | 78.4 | Confident | 120 Ų | 120 | 122 Ų | 122 | 56% | 0.556 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -66.4 | -16.3 | 171.2 | -68.4 | -75.9 | 0 | 0 | 0 | 113 | D49 I54 | D49-H56 IonicContact OD1-CD2 3.78Å; D49-H56 IonicContact OD1-CE1 3.86Å; D49-H56 IonicContact OD1-NE2 2.86Å; D49-H56 PolarHBondContact OD1-NE2 3.45Å; D49-H56 IonicContact OD2-CD2 3.48Å; D49-H56 PolarHBondContact OD2-CD2 3.06Å; D49-H56 IonicContact OD2-NE2 3.16Å; D49-H56 PolarHBondContact OD2-NE2 3.29Å; D49-H56 VanDerWaalsContact OD2-NE2 3.16Å; I54-H56 PolarHBondContact O-N 3.14Å |
| 57 | H | 76.8 | Confident | 78.1 | Confident | 171 Ų | 171 | 123.2 Ų | 123.2 | 79% | 0.792 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -127.9 | 84.9 | 170.8 | -54 | 90.6 | 0 | 0 | 0 | 107.9 | K55 G59 | K55-H57 PolarHBondContact O-N 3.45Å; H57-G59 PolarHBondContact O-N 2.86Å; H57-G59 VanDerWaalsContact O-N 3.12Å |
| 58 | P | 70.6 | Confident | 77.6 | Confident | 103 Ų | 103 | 126.6 Ų | 126.6 | 67% | 0.669 | 65% | 0.652 | S | S | * | * | | | trans | -61.3 | 119.3 | 167.7 | 26.7 | -30.9 | 0 | 0 | 0 | 106.7 | | |
| 59 | G | 72.9 | Confident | 76.9 | Confident | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | | | trans | -52 | 147.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | H57 | H57-G59 PolarHBondContact O-N 2.86Å; H57-G59 VanDerWaalsContact O-N 3.12Å |
| 60 | K | 49.3 | Very low | 76.4 | Confident | 287 Ų | 287 | 140.7 Ų | 140.7 | 100% | 1.248 | 72% | 0.715 | S | S | * | * | | | trans | -54.4 | 0 | 166 | -70.2 | -176.9 | 179.1 | 176.2 | 0 | 110.7 | | |