| 1 | M | 43.7 | Very low | 54.8 | Low | 225 Ų | 225 | 167 Ų | 167 | 100% | 1.108 | 82% | 0.821 | S | S | * | * | | | | 0 | 103.9 | 0 | -178.9 | -176.2 | -88.7 | 0 | 0 | 107.2 | I3 | M1-I3 HydrophobicContact CG-CG1 4.35Š|
| 2 | I | 57.8 | Low | 54.5 | Low | 169 Ų | 169 | 169.7 Ų | 169.7 | 87% | 0.867 | 82% | 0.824 | S | S | * | * | | | trans | -104.7 | 110.8 | 177.4 | -64.8 | 171.7 | 0 | 0 | 0 | 106.2 | P4 | I2-P4 WeakPolarHBondContact O-CD 3.43Š|
| 3 | I | 57.2 | Low | 54.5 | Low | 124 Ų | 124 | 161.5 Ų | 161.5 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | | | trans | -80.9 | 117.9 | -175.9 | -60.6 | 170.7 | 0 | 0 | 0 | 107.7 | M1 F5 | M1-I3 HydrophobicContact CG-CG1 4.35Å; I3-F5 PolarHBondContact O-N 3.04Å |
| 4 | P | 52.2 | Low | 54.8 | Low | 94 Ų | 94 | 163.9 Ų | 163.9 | 61% | 0.61 | 81% | 0.813 | S | S | * | * | | | trans | -67.2 | 130.1 | -179.4 | 26 | -32.5 | 0 | 0 | 0 | 110.5 | I2 C6 | I2-P4 WeakPolarHBondContact O-CD 3.43Å; P4-C6 PolarHBondContact O-N 2.94Å |
| 5 | F | 56.7 | Low | 55.1 | Low | 220 Ų | 220 | 167.2 Ų | 167.2 | 97% | 0.965 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | 22.3 | 178.6 | -94.6 | -90.2 | 0 | 0 | 0 | 115 | I3 | I3-F5 PolarHBondContact O-N 3.04Š|
| 6 | C | 55.9 | Low | 55.6 | Low | 125 Ų | 125 | 169.9 Ų | 169.9 | 85% | 0.845 | 82% | 0.82 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 5.3 | 177.2 | -67.7 | 0 | 0 | 0 | 0 | 113.6 | P4 | P4-C6 PolarHBondContact O-N 2.94Š|
| 7 | A | 54.7 | Low | 55.8 | Low | 62 Ų | 62 | 174.2 Ų | 174.2 | 51% | 0.512 | 83% | 0.825 | S | S | . | * | | | trans | -89.4 | -3.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | K9 | A7-K9 PolarHBondContact O-N 3.47Š|
| 8 | F | 57.1 | Low | 56.1 | Low | 210 Ų | 210 | 173.2 Ų | 173.2 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | | | trans | -104.8 | 63 | 179.4 | -70.2 | -74.8 | 0 | 0 | 0 | 114 | | |
| 9 | K | 57.3 | Low | 56 | Low | 189 Ų | 189 | 177.2 Ų | 177.2 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | | | | 18.5 | 102.4 | 122.8 | -145.7 | 173.3 | -174.5 | 178.8 | 0 | 116.8 | A7 H11 | A7-K9 PolarHBondContact O-N 3.47Å; K9-H11 PolarHBondContact O-N 3.03Å |
| 10 | R | 56.6 | Low | 56 | Low | 233 Ų | 233 | 173.7 Ų | 173.7 | 88% | 0.879 | 82% | 0.822 | S | S | * | * | | | trans | 21 | 95.3 | 139.2 | -60.1 | -174.7 | 176.2 | -177.2 | -1.6 | 117.2 | | |
| 11 | H | 53.7 | Low | 56 | Low | 186 Ų | 186 | 175.3 Ų | 175.3 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | | | trans | -95.3 | 100.2 | 153.5 | -132.1 | -67.5 | 0 | 0 | 0 | 109.6 | K9 G13 | K9-H11 PolarHBondContact O-N 3.03Å; H11-G13 PolarHBondContact O-N 3.48Å |
| 12 | K | 51.5 | Low | 56.7 | Low | 199 Ų | 199 | 170.2 Ų | 170.2 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | | | trans | -62.2 | 113.5 | 160.7 | -73.4 | -177.3 | 172.8 | -178.4 | 0 | 106.6 | | |
| 13 | G | 54.3 | Low | 56.7 | Low | 63 Ų | 63 | 166.5 Ų | 166.5 | 65% | 0.649 | 81% | 0.807 | S | S | * | * | | | trans | -168.4 | 100.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | H11 | H11-G13 PolarHBondContact O-N 3.48Š|
| 14 | K | 59.1 | Low | 56.7 | Low | 195 Ų | 195 | 166.3 Ų | 166.3 | 85% | 0.848 | 82% | 0.817 | S | S | * | * | | | trans | 66 | 107.2 | 159.5 | -70.1 | 178.9 | 175.1 | 176.2 | 0 | 117.6 | R16 | K14-R16 VanDerWaalsContact C-N 3.33Å; K14-R16 PolarHBondContact O-N 2.9Å |
| 15 | K | 59 | Low | 57 | Low | 214 Ų | 214 | 165.3 Ų | 165.3 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | | | trans | -51.3 | 88.1 | 158.8 | -61.3 | 178.3 | -179.6 | 179.6 | 0 | 110.1 | R17 | K15-R17 PolarHBondContact O-N 3.21Š|
| 16 | R | 62.7 | Low | 57.1 | Low | 211 Ų | 211 | 159.7 Ų | 159.7 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | | | trans | -83.7 | 97.4 | 165.3 | -76.4 | -167.8 | 173.7 | 176.2 | -1 | 107.9 | K14 H18 | K14-R16 VanDerWaalsContact C-N 3.33Å; K14-R16 PolarHBondContact O-N 2.9Å; R16-H18 VanDerWaalsContact C-N 3.31Å; R16-H18 PolarHBondContact O-N 3.48Å |
| 17 | R | 59 | Low | 57.4 | Low | 243 Ų | 243 | 159.5 Ų | 159.5 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | | | trans | -66.4 | 94.4 | 161.9 | -72.3 | -175.3 | 174.6 | -178.6 | -1.4 | 107 | K15 | K15-R17 PolarHBondContact O-N 3.21Š|
| 18 | H | 61.2 | Low | 57.7 | Low | 156 Ų | 156 | 165.2 Ų | 165.2 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | -110.8 | 105.9 | 159.9 | -70.4 | -65.8 | 0 | 0 | 0 | 108 | R16 S20 | R16-H18 VanDerWaalsContact C-N 3.31Å; R16-H18 PolarHBondContact O-N 3.48Å; H18-S20 PolarHBondContact O-N 3.41Å |
| 19 | R | 55 | Low | 58.1 | Low | 248 Ų | 248 | 162.4 Ų | 162.4 | 94% | 0.936 | 80% | 0.798 | S | S | * | * | | | trans | -17.9 | 116 | 166.9 | -160.9 | 172.3 | 179.6 | 165.1 | -1.8 | 113.5 | | |
| 20 | S | 54.6 | Low | 58.6 | Low | 107 Ų | 107 | 161.1 Ų | 161.1 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -59.1 | 152.4 | 164 | -12.6 | 0 | 0 | 0 | 0 | 110.2 | H18 | H18-S20 PolarHBondContact O-N 3.41Š|
| 21 | K | 56.3 | Low | 59.3 | Low | 208 Ų | 208 | 155.8 Ų | 155.8 | 90% | 0.904 | 79% | 0.789 | S | S | * | * | | | trans | 102.9 | 61.5 | 177.2 | -54.5 | 174.5 | -177.9 | -170.6 | 0 | 114.8 | | |
| 22 | S | 59.2 | Low | 60.2 | Low | 119 Ų | 119 | 153.9 Ų | 153.9 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | | -94.6 | 124.5 | 129.5 | 51.2 | 0 | 0 | 0 | 0 | 106.3 | S24 | S22-S24 PolarHBondContact O-N 3.1Š|
| 23 | A | 58.4 | Low | 61.4 | Low | 90 Ų | 90 | 150.3 Ų | 150.3 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | | | trans | -47.1 | 137.5 | 168 | 0 | 0 | 0 | 0 | 0 | 108.2 | S25 | A23-S25 PolarHBondContact O-N 3.16Š|
| 24 | S | 55.5 | Low | 62.5 | Low | 120 Ų | 120 | 154.4 Ų | 154.4 | 84% | 0.839 | 78% | 0.783 | S | S | * | * | | | trans | -50 | 88.9 | 170.6 | 49.6 | 0 | 0 | 0 | 0 | 109.2 | S22 S26 | S22-S24 PolarHBondContact O-N 3.1Å; S24-S26 PolarHBondContact O-N 3.25Å; S24-S26 VanDerWaalsContact O-N 3.13Å |
| 25 | S | 58.2 | Low | 63.6 | Low | 73 Ų | 73 | 147 Ų | 147 | 51% | 0.51 | 76% | 0.762 | S | S | . | * | | | trans | -65.5 | 114 | 163.1 | 55.9 | 0 | 0 | 0 | 0 | 104.2 | A23 D27 F28 | A23-S25 PolarHBondContact O-N 3.16Å; S25-D27 PolarHBondContact O-N 3.21Å; S25-F28 PolarHBondContact O-N 3.32Å |
| 26 | S | 60.2 | Low | 64.9 | Low | 103 Ų | 103 | 142.7 Ų | 142.7 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -48 | -11 | 168.6 | 42.2 | 0 | 0 | 0 | 0 | 113.6 | S24 | S24-S26 PolarHBondContact O-N 3.25Å; S24-S26 VanDerWaalsContact O-N 3.13Å |
| 27 | D | 60.9 | Low | 66 | Low | 121 Ų | 121 | 138 Ų | 138 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -84.6 | -7.3 | -174.5 | -49.1 | -25.4 | 0 | 0 | 0 | 113.9 | S25 L29 E30 | S25-D27 PolarHBondContact O-N 3.21Å; D27-L29 PolarHBondContact O-N 3.3Å; D27-E30 PolarHBondContact O-N 2.91Å |
| 28 | F | 62.2 | Low | 67.2 | Low | 181 Ų | 181 | 131.9 Ų | 131.9 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -75.2 | -10.5 | 176.8 | -170.2 | -100 | 0 | 0 | 0 | 113.3 | S25 E30 | S25-F28 PolarHBondContact O-N 3.32Å; F28-E30 PolarHBondContact O-N 3.35Å |
| 29 | L | 64.9 | Low | 68.5 | Low | 151 Ų | 151 | 130.3 Ų | 130.3 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | | | trans | -76.1 | 57.5 | 161 | -59.3 | -179.8 | 0 | 0 | 0 | 108.7 | D27 T31 | D27-L29 PolarHBondContact O-N 3.3Å; L29-T31 PolarHBondContact O-N 3.13Å |
| 30 | E | 68.2 | Low | 69.8 | Low | 163 Ų | 163 | 125.5 Ų | 125.5 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | | | trans | -51.5 | 115.3 | 155.7 | -78.2 | -176.6 | -179.8 | 0 | 0 | 104.8 | D27 F28 I32 | D27-E30 PolarHBondContact O-N 2.91Å; F28-E30 PolarHBondContact O-N 3.35Å; E30-I32 VanDerWaalsContact C-N 3.34Å; E30-I32 PolarHBondContact O-N 3.08Å |
| 31 | T | 70.8 | Confident | 71.2 | Confident | 121 Ų | 121 | 124.5 Ų | 124.5 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | | | trans | -58.3 | 107.2 | 177.7 | -58.8 | 0 | 0 | 0 | 0 | 104.9 | L29 V33 | L29-T31 PolarHBondContact O-N 3.13Å; T31-V33 HydrophobicContact CG2-CG2 4.32Å; T31-V33 PolarHBondContact O-N 3.25Å |
| 32 | I | 72.6 | Confident | 72.3 | Confident | 145 Ų | 145 | 123.7 Ų | 123.7 | 74% | 0.744 | 73% | 0.73 | S | S | * | * | | | trans | -64.9 | 95.5 | 171.6 | -57.1 | 175 | 0 | 0 | 0 | 103.4 | E30 I34 | E30-I32 VanDerWaalsContact C-N 3.34Å; E30-I32 PolarHBondContact O-N 3.08Å; I32-I34 HydrophobicContact CG2-CG1 3.81Å; I32-I34 PolarHBondContact O-N 3.04Å |
| 33 | V | 76.8 | Confident | 73.3 | Confident | 125 Ų | 125 | 125.4 Ų | 125.4 | 76% | 0.758 | 73% | 0.73 | S | S | * | * | | | trans | -70.1 | 85.8 | 171.8 | -177.6 | 0 | 0 | 0 | 0 | 104.7 | T31 G35 | T31-V33 HydrophobicContact CG2-CG2 4.32Å; T31-V33 PolarHBondContact O-N 3.25Å; V33-G35 VanDerWaalsContact C-N 3.31Å; V33-G35 PolarHBondContact O-N 3.41Å |
| 34 | I | 78.4 | Confident | 74.1 | Confident | 148 Ų | 148 | 129 Ų | 129 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | | | trans | -65.1 | 104.9 | 165.6 | -58.4 | 174.1 | 0 | 0 | 0 | 103.2 | I32 | I32-I34 HydrophobicContact CG2-CG1 3.81Å; I32-I34 PolarHBondContact O-N 3.04Å |
| 35 | G | 80.7 | Confident | 75.4 | Confident | 40 Ų | 40 | 128.2 Ų | 128.2 | 41% | 0.412 | 72% | 0.721 | S | S | . | * | P | Polyproline II helix | trans | -53 | 165.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | V33 | V33-G35 VanDerWaalsContact C-N 3.31Å; V33-G35 PolarHBondContact O-N 3.41Å |
| 36 | P | 86.5 | Confident | 76.6 | Confident | 124 Ų | 124 | 129.8 Ų | 129.8 | 81% | 0.805 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 144.3 | 179.6 | 24.6 | -34 | 0 | 0 | 0 | 110.4 | | |
| 37 | P | 86 | Confident | 77.8 | Confident | 113 Ų | 113 | 129.9 Ų | 129.9 | 73% | 0.734 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 148.9 | 174.8 | 25.9 | -34 | 0 | 0 | 0 | 109.8 | | |
| 38 | P | 85.7 | Confident | 79 | Confident | 113 Ų | 113 | 129.1 Ų | 129.1 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 147.2 | 176 | 25.3 | -33.5 | 0 | 0 | 0 | 110.4 | I40 | P38-I40 PolarHBondContact O-N 3.16Š|
| 39 | P | 87.1 | Confident | 80.2 | Confident | 123 Ų | 123 | 126.6 Ų | 126.6 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 136.5 | 177.3 | 26 | -33.3 | 0 | 0 | 0 | 110.2 | | |
| 40 | I | 81.9 | Confident | 81.2 | Confident | 148 Ų | 148 | 125.3 Ų | 125.3 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 127.3 | 171.9 | -59.4 | 171.3 | 0 | 0 | 0 | 106.8 | P38 E42 | P38-I40 PolarHBondContact O-N 3.16Å; I40-E42 PolarHBondContact O-N 3.45Å; I40-E42 VanDerWaalsContact O-N 3.16Å |
| 41 | P | 84.2 | Confident | 82.1 | Confident | 86 Ų | 86 | 126.3 Ų | 126.3 | 56% | 0.558 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 119.8 | 170.7 | -19 | 30.7 | 0 | 0 | 0 | 109.5 | D43 F44 | P41-D43 PolarHBondContact O-N 3.19Å; P41-F44 PolarHBondContact O-N 3.4Å |
| 42 | E | 80.3 | Confident | 82.8 | Confident | 191 Ų | 191 | 126.7 Ų | 126.7 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -28.5 | 175.9 | -70 | 159.1 | 177 | 0 | 0 | 111.1 | I40 F44 | I40-E42 PolarHBondContact O-N 3.45Å; I40-E42 VanDerWaalsContact O-N 3.16Å; E42-F44 PolarHBondContact O-N 3.44Å |
| 43 | D | 79.8 | Confident | 83.4 | Confident | 155 Ų | 155 | 127.6 Ų | 127.6 | 83% | 0.829 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 27.1 | 179 | -62.3 | -42.7 | 0 | 0 | 0 | 113.5 | P41 P45 | P41-D43 PolarHBondContact O-N 3.19Å; D43-P45 WeakPolarHBondContact O-CD 2.97Å; D43-P45 VanDerWaalsContact O-N 3.17Å |
| 44 | F | 74.9 | Confident | 83.6 | Confident | 166 Ų | 166 | 129.7 Ų | 129.7 | 73% | 0.728 | 72% | 0.721 | S | S | * | * | | | trans | -75.5 | 104.4 | 169.5 | -144 | -90.1 | 0 | 0 | 0 | 108 | P41 E42 S46 | P41-F44 PolarHBondContact O-N 3.4Å; E42-F44 PolarHBondContact O-N 3.44Å; F44-S46 PolarHBondContact O-N 3.4Å |
| 45 | P | 83.8 | Confident | 83.7 | Confident | 102 Ų | 102 | 131.7 Ų | 131.7 | 66% | 0.662 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -61 | 133.2 | 177.5 | 28.3 | -34.8 | 0 | 0 | 0 | 107.9 | D43 | D43-P45 WeakPolarHBondContact O-CD 2.97Å; D43-P45 VanDerWaalsContact O-N 3.17Å |
| 46 | S | 83.4 | Confident | 83.6 | Confident | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 137.5 | 165.8 | -175.2 | 0 | 0 | 0 | 0 | 108.5 | F44 | F44-S46 PolarHBondContact O-N 3.4Š|
| 47 | P | 84.3 | Confident | 83.1 | Confident | 105 Ų | 105 | 136.8 Ų | 136.8 | 68% | 0.682 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 142.2 | 176.1 | 22.9 | -33 | 0 | 0 | 0 | 110 | | |
| 48 | P | 86.1 | Confident | 82.3 | Confident | 106 Ų | 106 | 136.9 Ų | 136.9 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 148.8 | 178 | 26.5 | -34.3 | 0 | 0 | 0 | 110.3 | V50 | P48-V50 PolarHBondContact O-N 2.98Å; P48-V50 VanDerWaalsContact O-N 3.16Å |
| 49 | P | 87.2 | Confident | 81.6 | Confident | 127 Ų | 127 | 139.2 Ų | 139.2 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 121.9 | 177.2 | 24.4 | -32.9 | 0 | 0 | 0 | 110.2 | R51 | P49-R51 PolarHBondContact O-N 2.76Š|
| 50 | V | 86.7 | Confident | 80.3 | Confident | 124 Ų | 124 | 140.8 Ų | 140.8 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 116.2 | 175 | -179.2 | 0 | 0 | 0 | 0 | 108.5 | P48 I52 | P48-V50 PolarHBondContact O-N 2.98Å; P48-V50 VanDerWaalsContact O-N 3.16Å; V50-I52 HydrophobicContact CG1-CG1 4.43Å; V50-I52 PolarHBondContact O-N 2.78Å |
| 51 | R | 87.2 | Confident | 79 | Confident | 185 Ų | 185 | 137.9 Ų | 137.9 | 70% | 0.698 | 73% | 0.733 | S | S | * | * | | | trans | -74.8 | 109.1 | 170.5 | -66.7 | 179.7 | 70 | -169.6 | 1.1 | 108.8 | P49 Y53 | P49-R51 PolarHBondContact O-N 2.76Å; R51-Y53 HydrophobicContact CB-CE2 4.07Å; R51-Y53 PolarHBondContact NE-OH 2.75Å; R51-Y53 PolarHBondContact NH1-OH 2.81Å; R51-Y53 PolarHBondContact NH2-OH 2.95Å |
| 52 | I | 85 | Confident | 77.9 | Confident | 128 Ų | 128 | 137 Ų | 137 | 66% | 0.656 | 73% | 0.729 | S | S | * | * | | | trans | -87.4 | 112.8 | 170.3 | -57.7 | 171.6 | 0 | 0 | 0 | 107.3 | V50 | V50-I52 HydrophobicContact CG1-CG1 4.43Å; V50-I52 PolarHBondContact O-N 2.78Å |
| 53 | Y | 84.6 | Confident | 76.7 | Confident | 164 Ų | 164 | 136.5 Ų | 136.5 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 116.8 | 166.9 | -62.1 | -89 | 0 | 0 | 0 | 108.3 | R51 K55 | R51-Y53 HydrophobicContact CB-CE2 4.07Å; R51-Y53 PolarHBondContact NE-OH 2.75Å; R51-Y53 PolarHBondContact NH1-OH 2.81Å; R51-Y53 PolarHBondContact NH2-OH 2.95Å; Y53-K55 PolarHBondContact O-N 3.41Å |
| 54 | H | 81.7 | Confident | 75.8 | Confident | 169 Ų | 169 | 136.8 Ų | 136.8 | 78% | 0.782 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 119.5 | 166.5 | -68.2 | -83.4 | 0 | 0 | 0 | 108.1 | | |
| 55 | K | 81.8 | Confident | 74.9 | Confident | 191 Ų | 191 | 136.7 Ų | 136.7 | 83% | 0.83 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 135.4 | 160.2 | -75.2 | -177.3 | -180 | -179.7 | 0 | 107 | Y53 I57 | Y53-K55 PolarHBondContact O-N 3.41Å; K55-I57 PolarHBondContact O-N 3.48Å; K55-I57 VanDerWaalsContact O-N 3.1Å |
| 56 | P | 77.8 | Confident | 73.6 | Confident | 121 Ų | 121 | 139.5 Ų | 139.5 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 121.9 | 171.6 | 23.5 | -31.1 | 0 | 0 | 0 | 108.2 | | |
| 57 | I | 76.6 | Confident | 72.5 | Confident | 150 Ų | 150 | 142.2 Ų | 142.2 | 77% | 0.769 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 124 | 166.5 | -61.1 | 170.3 | 0 | 0 | 0 | 104.9 | K55 F59 | K55-I57 PolarHBondContact O-N 3.48Å; K55-I57 VanDerWaalsContact O-N 3.1Å; I57-F59 PolarHBondContact O-N 3.48Å |
| 58 | P | 69.3 | Low | 71.4 | Confident | 115 Ų | 115 | 146.4 Ų | 146.4 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 119.9 | 172.8 | 23 | -30.3 | 0 | 0 | 0 | 107.9 | I60 | P58-I60 PolarHBondContact O-N 2.89Š|
| 59 | F | 69.4 | Low | 70.5 | Confident | 161 Ų | 161 | 149.3 Ų | 149.3 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 116.6 | -178.7 | -157 | -106 | 0 | 0 | 0 | 109.3 | I57 S61 S62 | I57-F59 PolarHBondContact O-N 3.48Å; F59-S61 PolarHBondContact O-N 3.28Å; F59-S62 WeakPolarHBondContact CE1-OG 3.45Å |
| 60 | I | 59.6 | Low | 69.4 | Low | 156 Ų | 156 | 148.1 Ų | 148.1 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -69 | 125.3 | 162.5 | -63.8 | 167.4 | 0 | 0 | 0 | 105.1 | P58 S62 | P58-I60 PolarHBondContact O-N 2.89Å; I60-S62 PolarHBondContact O-N 3.37Å |
| 61 | S | 55.7 | Low | 68.5 | Low | 88 Ų | 88 | 148.2 Ų | 148.2 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | | | trans | -45.7 | 127.5 | -173.4 | -62.9 | 0 | 0 | 0 | 0 | 112.6 | F59 E63 | F59-S61 PolarHBondContact O-N 3.28Å; S61-E63 PolarHBondContact O-N 2.85Å |
| 62 | S | 60.7 | Low | 67.6 | Low | 68 Ų | 68 | 144.2 Ų | 144.2 | 48% | 0.476 | 74% | 0.738 | S | S | . | * | S | Bend | trans | -70.5 | 32.7 | 179.8 | 48.2 | 0 | 0 | 0 | 0 | 114.5 | F59 I60 I64 | F59-S62 WeakPolarHBondContact CE1-OG 3.45Å; I60-S62 PolarHBondContact O-N 3.37Å; S62-I64 PolarHBondContact O-N 3.23Å |
| 63 | E | 55.8 | Low | 66.8 | Low | 180 Ų | 180 | 145.5 Ų | 145.5 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -2.6 | 174.8 | -66.6 | -174.2 | -167.3 | 0 | 0 | 112.9 | S61 | S61-E63 PolarHBondContact O-N 2.85Š|
| 64 | I | 60.4 | Low | 66.1 | Low | 161 Ų | 161 | 142.7 Ų | 142.7 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | 14.2 | -176.1 | -58.2 | 157.4 | 0 | 0 | 0 | 112 | S62 E66 | S62-I64 PolarHBondContact O-N 3.23Å; I64-E66 PolarHBondContact O-N 2.7Å |
| 65 | E | 55.4 | Low | 65.6 | Low | 163 Ų | 163 | 142.5 Ų | 142.5 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | | | trans | -84.1 | 96.6 | 171.6 | -171.5 | 175.2 | -170.5 | 0 | 0 | 110.8 | | |
| 66 | E | 57.2 | Low | 64.8 | Low | 161 Ų | 161 | 144 Ų | 144 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | | | trans | 157 | 123.2 | 154.9 | -101 | -162.3 | 132 | 0 | 0 | 108.1 | I64 | I64-E66 PolarHBondContact O-N 2.7Š|
| 67 | K | 61 | Low | 64.7 | Low | 164 Ų | 164 | 146.2 Ų | 146.2 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | cis | -156.6 | 118.3 | 22.3 | -79 | 148.2 | -170.9 | -170 | 0 | 106.8 | | |
| 68 | H | 59.4 | Low | 64.7 | Low | 193 Ų | 193 | 146.8 Ų | 146.8 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | | | trans | -129.7 | 97.4 | 152.8 | -115.7 | -83.1 | 0 | 0 | 0 | 106 | | |
| 69 | E | 67.8 | Low | 64.7 | Low | 167 Ų | 167 | 154 Ų | 154 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | trans | -50.3 | 126.2 | 170.5 | -95.1 | -91.7 | 132.4 | 0 | 0 | 109.1 | V71 | E69-V71 PolarHBondContact O-N 3.13Š|
| 70 | P | 64.5 | Low | 64.5 | Low | 101 Ų | 101 | 153.7 Ų | 153.7 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | | | trans | -68.3 | 123.4 | 174.4 | 27.2 | -31.4 | 0 | 0 | 0 | 109.1 | S72 | P70-S72 PolarHBondContact O-N 2.84Š|
| 71 | V | 68.1 | Low | 64.7 | Low | 127 Ų | 127 | 153.6 Ų | 153.6 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | trans | -61.4 | 103 | 175.3 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | E69 L73 | E69-V71 PolarHBondContact O-N 3.13Å; V71-L73 HydrophobicContact CG1-CD2 4.11Å; V71-L73 PolarHBondContact O-N 3.44Å |
| 72 | S | 67.2 | Low | 65.2 | Low | 100 Ų | 100 | 157.2 Ų | 157.2 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | | | trans | -64.3 | 99.1 | 174.2 | -48.9 | 0 | 0 | 0 | 0 | 109.8 | P70 S74 | P70-S72 PolarHBondContact O-N 2.84Å; S72-S74 VanDerWaalsContact C-N 3.3Å; S72-S74 PolarHBondContact O-N 3.29Å; S72-S74 VanDerWaalsContact O-N 3.08Å |
| 73 | L | 68.6 | Low | 65.5 | Low | 155 Ų | 155 | 162.5 Ų | 162.5 | 81% | 0.812 | 82% | 0.821 | S | S | * | * | | | trans | -80.1 | 82 | 168.2 | -63.6 | -179.4 | 0 | 0 | 0 | 108.7 | V71 L75 | V71-L73 HydrophobicContact CG1-CD2 4.11Å; V71-L73 PolarHBondContact O-N 3.44Å; L73-L75 PolarHBondContact O-N 3.03Å; L73-L75 VanDerWaalsContact O-N 3.13Å |
| 74 | S | 69.9 | Low | 66.1 | Low | 105 Ų | 105 | 161.4 Ų | 161.4 | 73% | 0.734 | 82% | 0.82 | S | S | * | * | | | trans | -68.2 | 104 | 167.3 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | S72 | S72-S74 VanDerWaalsContact C-N 3.3Å; S72-S74 PolarHBondContact O-N 3.29Å; S72-S74 VanDerWaalsContact O-N 3.08Å |
| 75 | L | 71.2 | Confident | 66.5 | Low | 165 Ų | 165 | 161.4 Ų | 161.4 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | | | trans | -71.3 | 124.5 | 165.9 | -137.6 | 106.8 | 0 | 0 | 0 | 106.9 | L73 | L73-L75 PolarHBondContact O-N 3.03Å; L73-L75 VanDerWaalsContact O-N 3.13Å |
| 76 | R | 66 | Low | 67.3 | Low | 224 Ų | 224 | 161.3 Ų | 161.3 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | | | trans | -74.9 | 132.4 | -179.3 | -56.3 | -169.8 | 83.9 | -179.2 | 4.1 | 109.3 | D78 | R76-D78 PolarHBondContact O-N 3.44Š|
| 77 | D | 74.2 | Confident | 68 | Low | 166 Ų | 166 | 161.3 Ų | 161.3 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | | | trans | -76.6 | 110.5 | 166.1 | -62.9 | -49.9 | 0 | 0 | 0 | 107.8 | | |
| 78 | D | 76.3 | Confident | 68.6 | Low | 163 Ų | 163 | 161.1 Ų | 161.1 | 87% | 0.872 | 84% | 0.838 | S | S | * | * | | | trans | -79.3 | 119.5 | 163.6 | -110.1 | -69.9 | 0 | 0 | 0 | 107.1 | R76 | R76-D78 PolarHBondContact O-N 3.44Š|
| 79 | E | 70.2 | Confident | 69.5 | Low | 267 Ų | 267 | 158.2 Ų | 158.2 | 100% | 1.248 | 83% | 0.833 | S | S | * | * | | | trans | -70.7 | 0 | 170.8 | -105.3 | -174.6 | 109.2 | 0 | 0 | 112.2 | | |