| 1 | M | 41.7 | Very low | 53.1 | Low | 240 Ų | 240 | 174.1 Ų | 174.1 | 100% | 1.182 | 89% | 0.885 | S | S | * | * | | | | 0 | 154.2 | 0 | -61.5 | -179.9 | 102.1 | 0 | 0 | 108.6 | | |
| 2 | P | 56.9 | Low | 52.4 | Low | 114 Ų | 114 | 177.3 Ų | 177.3 | 74% | 0.74 | 89% | 0.888 | S | S | * | * | | | | -84 | 174.5 | -101 | 39.8 | -28 | 0 | 0 | 0 | 114.7 | | |
| 3 | K | 55.7 | Low | 51.5 | Low | 200 Ų | 200 | 168.9 Ų | 168.9 | 87% | 0.87 | 87% | 0.874 | S | S | * | * | | | cis | -168.1 | 133.1 | -19.5 | -100.5 | 175.6 | -175.6 | -177.2 | 0 | 107.7 | | |
| 4 | A | 57.7 | Low | 51.5 | Low | 98 Ų | 98 | 166.4 Ų | 166.4 | 81% | 0.81 | 87% | 0.871 | S | S | * | * | | | trans | 38.6 | 114.9 | 142.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | G6 | A4-G6 PolarHBondContact O-N 2.78Š|
| 5 | K | 51.1 | Low | 51.3 | Low | 215 Ų | 215 | 169.3 Ų | 169.3 | 94% | 0.935 | 87% | 0.873 | S | S | * | * | | | trans | -63.5 | 102.8 | 155.9 | -73.2 | 179.6 | 174 | 176.7 | 0 | 110.4 | K7 | K5-K7 PolarHBondContact O-N 2.99Š|
| 6 | G | 52.1 | Low | 51.4 | Low | 70 Ų | 70 | 173.8 Ų | 173.8 | 72% | 0.722 | 88% | 0.875 | S | S | * | * | | | trans | -84.7 | 98.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | A4 Q8 | A4-G6 PolarHBondContact O-N 2.78Å; G6-Q8 PolarHBondContact O-N 2.72Å |
| 7 | K | 54.3 | Low | 51.8 | Low | 198 Ų | 198 | 175 Ų | 175 | 86% | 0.861 | 87% | 0.874 | S | S | * | * | | | trans | -65.3 | 110.6 | 168.3 | -69.6 | -177.7 | 174.2 | -177 | 0 | 109.5 | K5 K9 | K5-K7 PolarHBondContact O-N 2.99Å; K7-K9 PolarHBondContact O-N 2.95Å |
| 8 | Q | 57.6 | Low | 52.1 | Low | 195 Ų | 195 | 171.2 Ų | 171.2 | 91% | 0.911 | 87% | 0.867 | S | S | * | * | | | trans | -70 | 110.5 | 172.2 | -73.2 | -176.5 | -8.5 | 0 | 0 | 109.9 | G6 | G6-Q8 PolarHBondContact O-N 2.72Š|
| 9 | K | 54.5 | Low | 52.5 | Low | 197 Ų | 197 | 169.7 Ų | 169.7 | 86% | 0.857 | 87% | 0.866 | S | S | * | * | | | trans | -69.7 | 128.1 | 172.7 | -71.7 | -175 | 176.4 | -177.1 | 0 | 110 | K7 K11 | K7-K9 PolarHBondContact O-N 2.95Å; K9-K11 PolarHBondContact O-N 3.03Å; K9-K11 VanDerWaalsContact O-N 3.08Å |
| 10 | L | 50.5 | Low | 52.8 | Low | 179 Ų | 179 | 170.7 Ų | 170.7 | 94% | 0.937 | 86% | 0.864 | S | S | * | * | | | trans | -54 | 105.6 | 168.9 | -75.9 | 138.7 | 0 | 0 | 0 | 110.5 | K12 | L10-K12 PolarHBondContact O-N 2.84Š|
| 11 | K | 52.3 | Low | 53.1 | Low | 209 Ų | 209 | 165.1 Ų | 165.1 | 91% | 0.909 | 85% | 0.85 | S | S | * | * | | | trans | -78.2 | 98.8 | 167.8 | -77.4 | -170.5 | 176.4 | -176.6 | 0 | 109.4 | K9 | K9-K11 PolarHBondContact O-N 3.03Å; K9-K11 VanDerWaalsContact O-N 3.08Å |
| 12 | K | 44.6 | Very low | 54 | Low | 212 Ų | 212 | 163.4 Ų | 163.4 | 92% | 0.922 | 84% | 0.836 | S | S | * | * | | | trans | -62.6 | 127.3 | 165.2 | -160.5 | 173.6 | -174.8 | 178.7 | 0 | 108.6 | L10 | L10-K12 PolarHBondContact O-N 2.84Š|
| 13 | G | 40.3 | Very low | 54.3 | Low | 69 Ų | 69 | 169.4 Ų | 169.4 | 71% | 0.711 | 84% | 0.844 | S | S | * | * | | | trans | 97.2 | 89.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 14 | T | 51.7 | Low | 54.7 | Low | 134 Ų | 134 | 169.7 Ų | 169.7 | 82% | 0.822 | 85% | 0.845 | S | S | * | * | | | trans | -141.9 | 125.1 | 135.7 | 34.8 | 0 | 0 | 0 | 0 | 108.3 | R16 | T14-R16 PolarHBondContact O-N 3.22Š|
| 15 | K | 49.1 | Very low | 54.7 | Low | 210 Ų | 210 | 168.1 Ų | 168.1 | 91% | 0.913 | 84% | 0.839 | S | S | * | * | | | trans | -52.1 | 94.9 | 179.4 | -163.9 | 171.4 | -173.5 | 172.8 | 0 | 109.1 | K17 | K15-K17 PolarHBondContact O-N 2.88Š|
| 16 | R | 51.5 | Low | 55.2 | Low | 240 Ų | 240 | 169.7 Ų | 169.7 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | | | trans | -65.2 | 102.5 | 174.7 | -72.5 | -175.7 | 177.9 | -179.3 | -1.2 | 107.3 | T14 S18 | T14-R16 PolarHBondContact O-N 3.22Å; R16-S18 PolarHBondContact O-N 2.89Å |
| 17 | K | 59.1 | Low | 55.7 | Low | 195 Ų | 195 | 171.3 Ų | 171.3 | 85% | 0.848 | 84% | 0.839 | S | S | * | * | | | trans | -46.2 | 116.8 | 167.5 | -78.6 | 178.9 | 176.2 | 176.1 | 0 | 106.8 | K15 V19 | K15-K17 PolarHBondContact O-N 2.88Å; K17-V19 PolarHBondContact O-N 2.75Å |
| 18 | S | 56.4 | Low | 56.2 | Low | 107 Ų | 107 | 166.8 Ų | 166.8 | 75% | 0.748 | 83% | 0.832 | S | S | * | * | | | trans | -55.3 | 113.1 | 177.3 | 65.1 | 0 | 0 | 0 | 0 | 107.3 | R16 K20 | R16-S18 PolarHBondContact O-N 2.89Å; S18-K20 PolarHBondContact O-N 3.05Å |
| 19 | V | 60.2 | Low | 56.6 | Low | 142 Ų | 142 | 169 Ų | 169 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | | | trans | -66.8 | 91.6 | 165.9 | -177.3 | 0 | 0 | 0 | 0 | 104.2 | K17 G21 | K17-V19 PolarHBondContact O-N 2.75Å; V19-G21 PolarHBondContact O-N 2.75Å |
| 20 | K | 59.1 | Low | 57.4 | Low | 189 Ų | 189 | 167.9 Ų | 167.9 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | | | trans | -63.7 | 88.9 | 172.7 | -172.2 | 168.9 | -175.6 | 175.6 | 0 | 104.6 | S18 K22 | S18-K20 PolarHBondContact O-N 3.05Å; K20-K22 PolarHBondContact O-N 2.79Å |
| 21 | G | 59 | Low | 58.4 | Low | 54 Ų | 54 | 169 Ų | 169 | 56% | 0.557 | 83% | 0.827 | S | S | * | * | | | trans | -48.7 | 120.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | V19 R23 | V19-G21 PolarHBondContact O-N 2.75Å; G21-R23 VanDerWaalsContact C-N 3.27Å; G21-R23 PolarHBondContact O-N 2.95Å |
| 22 | K | 61.2 | Low | 59.4 | Low | 205 Ų | 205 | 167.9 Ų | 167.9 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | | | trans | -51.3 | 99.9 | 171.1 | -84.5 | 177.4 | 174.1 | 177.8 | 0 | 105.8 | K20 K24 | K20-K22 PolarHBondContact O-N 2.79Å; K22-K24 VanDerWaalsContact C-N 3.33Å; K22-K24 PolarHBondContact O-N 3.05Å |
| 23 | R | 62.8 | Low | 60.8 | Low | 240 Ų | 240 | 163 Ų | 163 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | | | trans | -56.2 | 108.1 | 165.1 | -74.6 | -178.6 | 170.1 | 174 | -3.2 | 103.5 | G21 G25 | G21-R23 VanDerWaalsContact C-N 3.27Å; G21-R23 PolarHBondContact O-N 2.95Å; R23-G25 PolarHBondContact O-N 2.94Å |
| 24 | K | 62.7 | Low | 62.3 | Low | 205 Ų | 205 | 169.5 Ų | 169.5 | 89% | 0.891 | 82% | 0.821 | S | S | * | * | | | trans | -46.9 | 113.3 | 169.5 | -77.4 | -175.2 | 176.1 | -178.3 | 0 | 104.5 | K22 R26 | K22-K24 VanDerWaalsContact C-N 3.33Å; K22-K24 PolarHBondContact O-N 3.05Å; K24-R26 PolarHBondContact O-N 2.9Å |
| 25 | G | 57.6 | Low | 63.3 | Low | 66 Ų | 66 | 168 Ų | 168 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | | | trans | -47.4 | 131.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | R23 S27 | R23-G25 PolarHBondContact O-N 2.94Å; G25-S27 VanDerWaalsContact C-N 3.35Å; G25-S27 PolarHBondContact O-N 3.2Å |
| 26 | R | 61.9 | Low | 64.6 | Low | 248 Ų | 248 | 167 Ų | 167 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | | | trans | -47.7 | 111.1 | 166.6 | -78.9 | 175.7 | 170 | 153.3 | -4.4 | 104.9 | K24 S28 | K24-R26 PolarHBondContact O-N 2.9Å; R26-S28 PolarHBondContact O-N 3.12Å |
| 27 | S | 64.1 | Low | 65.8 | Low | 104 Ų | 104 | 162.6 Ų | 162.6 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | -53.8 | 125.9 | 175.9 | 84 | 0 | 0 | 0 | 0 | 104.5 | G25 R29 | G25-S27 VanDerWaalsContact C-N 3.35Å; G25-S27 PolarHBondContact O-N 3.2Å; S27-R29 PolarHBondContact O-N 2.75Å |
| 28 | S | 63.7 | Low | 67.1 | Low | 103 Ų | 103 | 157.7 Ų | 157.7 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | -48.8 | 119.7 | 170.5 | 42.1 | 0 | 0 | 0 | 0 | 105.2 | R26 Q30 | R26-S28 PolarHBondContact O-N 3.12Å; S28-Q30 PolarHBondContact O-N 3.21Å |
| 29 | R | 67.2 | Low | 68.4 | Low | 240 Ų | 240 | 158.6 Ų | 158.6 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | trans | -66.5 | 89.2 | 179.8 | -162 | 175.9 | -167.3 | 178.9 | 2.4 | 104.3 | S27 K31 | S27-R29 PolarHBondContact O-N 2.75Å; R29-K31 PolarHBondContact O-N 3.18Å |
| 30 | Q | 70.5 | Confident | 69.7 | Low | 174 Ų | 174 | 157.1 Ų | 157.1 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | -50.4 | 119 | 168.3 | -78.3 | 177.3 | -61.3 | 0 | 0 | 104.5 | S28 K32 | S28-Q30 PolarHBondContact O-N 3.21Å; Q30-K32 VanDerWaalsContact C-N 3.25Å; Q30-K32 PolarHBondContact O-N 3.08Å |
| 31 | K | 71.9 | Confident | 71.1 | Confident | 204 Ų | 204 | 150.6 Ų | 150.6 | 89% | 0.887 | 75% | 0.747 | S | S | * | * | | | trans | -59.4 | 100.7 | 175.2 | -70.9 | 178.4 | -177.5 | 174 | 0 | 104.3 | R29 | R29-K31 PolarHBondContact O-N 3.18Š|
| 32 | K | 73 | Confident | 72.7 | Confident | 185 Ų | 185 | 154.5 Ų | 154.5 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | | | trans | -52.3 | 135.4 | 167.7 | -64.6 | -172.6 | 179 | -171.4 | 0 | 105.3 | Q30 K34 | Q30-K32 VanDerWaalsContact C-N 3.25Å; Q30-K32 PolarHBondContact O-N 3.08Å; K32-K34 PolarHBondContact O-N 3.19Å |
| 33 | P | 73 | Confident | 74 | Confident | 110 Ų | 110 | 148.3 Ų | 148.3 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | | | trans | -48.3 | 134 | 170.2 | 22.1 | -31.7 | 0 | 0 | 0 | 106.9 | C35 | P33-C35 PolarHBondContact O-N 3.23Š|
| 34 | K | 73.3 | Confident | 75.3 | Confident | 205 Ų | 205 | 138.3 Ų | 138.3 | 89% | 0.891 | 71% | 0.706 | S | S | * | * | | | trans | -63.6 | 92.5 | 174 | -68 | 177.3 | -177.5 | 176.2 | 0 | 105.1 | K32 E36 | K32-K34 PolarHBondContact O-N 3.19Å; K34-E36 PolarHBondContact O-N 3.4Å; K34-E36 VanDerWaalsContact O-N 3.12Å |
| 35 | C | 71.4 | Confident | 76.6 | Confident | 101 Ų | 101 | 133.2 Ų | 133.2 | 68% | 0.682 | 69% | 0.686 | S | S | * | * | | | trans | -61.2 | 117.1 | 163.1 | -63 | 0 | 0 | 0 | 0 | 104.5 | P33 I37 | P33-C35 PolarHBondContact O-N 3.23Å; C35-I37 PolarHBondContact O-N 3.25Å |
| 36 | E | 76.4 | Confident | 78 | Confident | 190 Ų | 190 | 135.5 Ų | 135.5 | 89% | 0.888 | 68% | 0.679 | S | S | * | * | | | trans | -57.7 | 111.9 | 167.1 | -71.3 | 177.8 | -176.5 | 0 | 0 | 106 | K34 D38 | K34-E36 PolarHBondContact O-N 3.4Å; K34-E36 VanDerWaalsContact O-N 3.12Å; E36-D38 PolarHBondContact O-N 3.11Å; E36-D38 VanDerWaalsContact O-N 3.11Å |
| 37 | I | 76.5 | Confident | 79.2 | Confident | 147 Ų | 147 | 127.9 Ų | 127.9 | 75% | 0.754 | 66% | 0.657 | S | S | * | * | | | trans | -79.4 | 99.9 | 179.6 | -57.8 | 172.4 | 0 | 0 | 0 | 105 | C35 I39 | C35-I37 PolarHBondContact O-N 3.25Å; I37-I39 PolarHBondContact O-N 3.21Å; I37-I39 VanDerWaalsContact O-N 3.11Å |
| 38 | D | 86.2 | Confident | 80.3 | Confident | 93 Ų | 93 | 128.4 Ų | 128.4 | 50% | 0.497 | 65% | 0.651 | S | S | . | * | | | trans | -67.6 | 107.7 | 170.8 | 178.6 | 14.8 | 0 | 0 | 0 | 109.2 | E36 M40 S41 | E36-D38 PolarHBondContact O-N 3.11Å; E36-D38 VanDerWaalsContact O-N 3.11Å; D38-M40 PolarHBondContact O-N 2.87Å; D38-M40 WeakPolarHBondContact OD1-CA 3.5Å; D38-M40 WeakPolarHBondContact OD1-CB 3.48Å; D38-M40 PolarHBondContact OD1-N 3.29Å; D38-S41 VanDerWaalsContact O-CB 3.31Å; D38-S41 WeakPolarHBondContact O-CB 3.44Å; D38-S41 PolarHBondContact O-N 3.11Å; D38-S41 PolarHBondContact OD2-N 3Å |
| 39 | I | 85.1 | Confident | 81.4 | Confident | 125 Ų | 125 | 130.4 Ų | 130.4 | 64% | 0.641 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -20 | 177.4 | 56.8 | 162.5 | 0 | 0 | 0 | 112.5 | I37 A44 | I37-I39 PolarHBondContact O-N 3.21Å; I37-I39 VanDerWaalsContact O-N 3.11Å; I39-A44 WeakPolarHBondContact O-CB 3.31Å |
| 40 | M | 87.2 | Confident | 82.2 | Confident | 111 Ų | 111 | 126.7 Ų | 126.7 | 55% | 0.547 | 63% | 0.631 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99 | 5.5 | 178.7 | -58 | -68.1 | 84.3 | 0 | 0 | 112.7 | D38 M45 | D38-M40 PolarHBondContact O-N 2.87Å; D38-M40 WeakPolarHBondContact OD1-CA 3.5Å; D38-M40 WeakPolarHBondContact OD1-CB 3.48Å; D38-M40 PolarHBondContact OD1-N 3.29Å; M40-M45 HydrophobicContact SD-CE 4.49Å |
| 41 | S | 88.9 | Confident | 82.9 | Confident | 52 Ų | 52 | 124.3 Ų | 124.3 | 36% | 0.364 | 62% | 0.622 | S | S | . | * | S | Bend | trans | -60.7 | 143.4 | 170.4 | -178.2 | 0 | 0 | 0 | 0 | 110.2 | D38 C43 A44 M45 | D38-S41 VanDerWaalsContact O-CB 3.31Å; D38-S41 WeakPolarHBondContact O-CB 3.44Å; D38-S41 PolarHBondContact O-N 3.11Å; D38-S41 PolarHBondContact OD2-N 3Å; S41-C43 PolarHBondContact O-N 3.01Å; S41-C43 VanDerWaalsContact O-N 3.14Å; S41-A44 WeakPolarHBondContact O-CA 3.45Å; S41-A44 WeakPolarHBondContact O-CB 3.35Å; S41-A44 PolarHBondContact O-N 3.14Å; S41-M45 PolarHBondContact O-N 3.06Å |
| 42 | L | 91.4 | Very high | 83.6 | Confident | 136 Ų | 136 | 116.9 Ų | 116.9 | 71% | 0.712 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -49.4 | -44.1 | 178.9 | -68.7 | 173 | 0 | 0 | 0 | 112.3 | A44 M45 E46 | L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 2.91Å; L42-M45 PolarHBondContact O-N 3.25Å; L42-E46 WeakPolarHBondContact O-CG 3.39Å; L42-E46 PolarHBondContact O-N 3.39Å |
| 43 | C | 88.8 | Confident | 84.2 | Confident | 75 Ų | 75 | 114 Ų | 114 | 51% | 0.507 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.1 | -36.9 | 178.8 | -174.2 | 0 | 0 | 0 | 0 | 112.4 | S41 N47 | S41-C43 PolarHBondContact O-N 3.01Å; S41-C43 VanDerWaalsContact O-N 3.14Å; C43-N47 WeakPolarHBondContact O-CB 3.38Å; C43-N47 PolarHBondContact O-N 2.89Å; C43-N47 PolarHBondContact O-ND2 3.02Å |
| 44 | A | 90.2 | Very high | 84.5 | Confident | 31 Ų | 31 | 113.9 Ų | 113.9 | 26% | 0.256 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.5 | -41.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | I39 S41 L42 L48 | I39-A44 WeakPolarHBondContact O-CB 3.31Å; S41-A44 WeakPolarHBondContact O-CA 3.45Å; S41-A44 WeakPolarHBondContact O-CB 3.35Å; S41-A44 PolarHBondContact O-N 3.14Å; L42-A44 VanDerWaalsContact C-N 3.33Å; L42-A44 PolarHBondContact O-N 2.91Å; A44-L48 WeakPolarHBondContact O-CB 3.42Å; A44-L48 PolarHBondContact O-N 2.91Å |
| 45 | M | 89.7 | Confident | 84.9 | Confident | 97 Ų | 97 | 105.5 Ų | 105.5 | 48% | 0.478 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.7 | -43.1 | 177.4 | -64.4 | -178.4 | 114.2 | 0 | 0 | 112.3 | M40 S41 L42 L48 Y49 | M40-M45 HydrophobicContact SD-CE 4.49Å; S41-M45 PolarHBondContact O-N 3.06Å; L42-M45 PolarHBondContact O-N 3.25Å; M45-L48 PolarHBondContact O-N 2.86Å; M45-Y49 WeakPolarHBondContact O-CB 3.35Å; M45-Y49 PolarHBondContact O-N 3.33Å |
| 46 | E | 88.3 | Confident | 85.3 | Confident | 114 Ų | 114 | 102.9 Ų | 102.9 | 53% | 0.533 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.8 | -47.8 | 175.7 | -74.9 | 175.2 | 176.7 | 0 | 0 | 111.5 | L42 L48 Y49 Y50 | L42-E46 WeakPolarHBondContact O-CG 3.39Å; L42-E46 PolarHBondContact O-N 3.39Å; E46-L48 VanDerWaalsContact C-N 3.28Å; E46-L48 PolarHBondContact O-N 3.46Å; E46-Y49 WeakPolarHBondContact O-CB 3.47Å; E46-Y49 PolarHBondContact O-N 2.99Å; E46-Y49 VanDerWaalsContact O-N 3.12Å; E46-Y50 WeakPolarHBondContact O-CD2 3.46Å; E46-Y50 PolarHBondContact O-N 2.95Å |
| 47 | N | 86.6 | Confident | 85.4 | Confident | 89 Ų | 89 | 96.5 Ų | 96.5 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.1 | -42.9 | 175.6 | -74.4 | -36.1 | 0 | 0 | 0 | 111.3 | C43 Y50 I51 | C43-N47 WeakPolarHBondContact O-CB 3.38Å; C43-N47 PolarHBondContact O-N 2.89Å; C43-N47 PolarHBondContact O-ND2 3.02Å; N47-Y50 PolarHBondContact O-N 3.12Å; N47-I51 WeakPolarHBondContact O-CB 3.4Å; N47-I51 WeakPolarHBondContact O-CD1 3.11Å; N47-I51 WeakPolarHBondContact O-CG1 3.2Å; N47-I51 PolarHBondContact O-N 3.36Å |
| 48 | L | 86.9 | Confident | 85.5 | Confident | 114 Ų | 114 | 92.2 Ų | 92.2 | 60% | 0.597 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.5 | -43.1 | 175.7 | -179.8 | 62 | 0 | 0 | 0 | 111.6 | A44 M45 E46 I51 A52 | A44-L48 WeakPolarHBondContact O-CB 3.42Å; A44-L48 PolarHBondContact O-N 2.91Å; M45-L48 PolarHBondContact O-N 2.86Å; E46-L48 VanDerWaalsContact C-N 3.28Å; E46-L48 PolarHBondContact O-N 3.46Å; L48-I51 PolarHBondContact O-N 2.82Å; L48-A52 WeakPolarHBondContact O-CB 3.36Å; L48-A52 PolarHBondContact O-N 2.92Å |
| 49 | Y | 86.3 | Confident | 85.3 | Confident | 146 Ų | 146 | 90.6 Ų | 90.6 | 57% | 0.573 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.5 | -49 | 177.1 | 178.4 | -95.7 | 0 | 0 | 0 | 111.4 | M45 E46 I51 A52 H53 | M45-Y49 WeakPolarHBondContact O-CB 3.35Å; M45-Y49 PolarHBondContact O-N 3.33Å; E46-Y49 WeakPolarHBondContact O-CB 3.47Å; E46-Y49 PolarHBondContact O-N 2.99Å; E46-Y49 VanDerWaalsContact O-N 3.12Å; Y49-I51 PolarHBondContact O-N 3.5Å; Y49-A52 PolarHBondContact O-N 3.29Å; Y49-H53 WeakPolarHBondContact O-CB 3.11Å; Y49-H53 PolarHBondContact O-N 3.39Å |
| 50 | Y | 84.4 | Confident | 85.1 | Confident | 161 Ų | 161 | 90.6 Ų | 90.6 | 63% | 0.631 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.7 | -39.1 | 179.3 | -73.4 | -64.8 | 0 | 0 | 0 | 113.3 | E46 N47 | E46-Y50 WeakPolarHBondContact O-CD2 3.46Å; E46-Y50 PolarHBondContact O-N 2.95Å; N47-Y50 PolarHBondContact O-N 3.12Å |
| 51 | I | 85.5 | Confident | 84.8 | Confident | 124 Ų | 124 | 94.3 Ų | 94.3 | 64% | 0.636 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.7 | -45.3 | 176.3 | -67.3 | 165.5 | 0 | 0 | 0 | 110.4 | N47 L48 Y49 A55 | N47-I51 WeakPolarHBondContact O-CB 3.4Å; N47-I51 WeakPolarHBondContact O-CD1 3.11Å; N47-I51 WeakPolarHBondContact O-CG1 3.2Å; N47-I51 PolarHBondContact O-N 3.36Å; L48-I51 PolarHBondContact O-N 2.82Å; Y49-I51 PolarHBondContact O-N 3.5Å; I51-A55 PolarHBondContact O-N 3.4Å |
| 52 | A | 87 | Confident | 84.5 | Confident | 48 Ų | 48 | 101.4 Ų | 101.4 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.9 | -32.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L48 Y49 N54 A55 P56 | L48-A52 WeakPolarHBondContact O-CB 3.36Å; L48-A52 PolarHBondContact O-N 2.92Å; Y49-A52 PolarHBondContact O-N 3.29Å; A52-N54 VanDerWaalsContact C-N 3.27Å; A52-N54 PolarHBondContact O-N 3.34Å; A52-A55 PolarHBondContact O-N 3.18Å; A52-P56 WeakPolarHBondContact O-CD 3.46Å |
| 53 | H | 85.4 | Confident | 84.1 | Confident | 125 Ų | 125 | 97.9 Ų | 97.9 | 58% | 0.579 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.8 | -37.7 | -179.6 | -161.4 | 82.7 | 0 | 0 | 0 | 112 | Y49 | Y49-H53 WeakPolarHBondContact O-CB 3.11Å; Y49-H53 PolarHBondContact O-N 3.39Å |
| 54 | N | 78.5 | Confident | 83.3 | Confident | 107 Ų | 107 | 100.5 Ų | 100.5 | 57% | 0.572 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -87.3 | -14.2 | 178.6 | -67.7 | -28.1 | 0 | 0 | 0 | 113.4 | A52 S57 A58 | A52-N54 VanDerWaalsContact C-N 3.27Å; A52-N54 PolarHBondContact O-N 3.34Å; N54-S57 PolarHBondContact O-N 2.95Å; N54-A58 PolarHBondContact O-N 3.31Å |
| 55 | A | 82.2 | Confident | 82.5 | Confident | 30 Ų | 30 | 104.3 Ų | 104.3 | 25% | 0.248 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -62.5 | -45.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I51 A52 S57 A58 L59 | I51-A55 PolarHBondContact O-N 3.4Å; A52-A55 PolarHBondContact O-N 3.18Å; A55-S57 VanDerWaalsContact C-N 3.29Å; A55-S57 PolarHBondContact O-N 2.94Å; A55-A58 PolarHBondContact O-N 3.46Å; A55-L59 WeakPolarHBondContact O-CB 3.02Å; A55-L59 VanDerWaalsContact O-CD1 3.24Å; A55-L59 WeakPolarHBondContact O-CD1 3.47Å; A55-L59 PolarHBondContact O-N 3.3Å |
| 56 | P | 80.1 | Confident | 81.4 | Confident | 45 Ų | 45 | 108 Ų | 108 | 29% | 0.292 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.4 | -41.6 | 175.7 | -25.7 | 33.7 | 0 | 0 | 0 | 112.8 | A52 L59 M60 W66 | A52-P56 WeakPolarHBondContact O-CD 3.46Å; P56-L59 PolarHBondContact O-N 3.34Å; P56-M60 WeakPolarHBondContact O-CB 3.24Å; P56-M60 PolarHBondContact O-N 2.93Å; P56-W66 HydrophobicContact CB-CB 4.33Å; P56-W66 HydrophobicContact CB-CD2 4.35Å; P56-W66 HydrophobicContact CB-CG 4.06Å; P56-W66 HydrophobicContact CG-CD2 4.42Å |
| 57 | S | 79.2 | Confident | 80.5 | Confident | 57 Ų | 57 | 105.4 Ų | 105.4 | 40% | 0.399 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -46 | 178.6 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | N54 A55 L59 M60 Y61 | N54-S57 PolarHBondContact O-N 2.95Å; A55-S57 VanDerWaalsContact C-N 3.29Å; A55-S57 PolarHBondContact O-N 2.94Å; S57-L59 VanDerWaalsContact C-N 3.31Å; S57-L59 PolarHBondContact O-N 3.17Å; S57-M60 WeakPolarHBondContact O-CB 3.43Å; S57-M60 PolarHBondContact O-N 3.12Å; S57-Y61 WeakPolarHBondContact O-CD2 2.99Å; S57-Y61 PolarHBondContact O-N 2.95Å |
| 58 | A | 78.8 | Confident | 79.2 | Confident | 56 Ų | 56 | 111.7 Ų | 111.7 | 46% | 0.463 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.2 | -39.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N54 A55 Y61 R62 | N54-A58 PolarHBondContact O-N 3.31Å; A55-A58 PolarHBondContact O-N 3.46Å; A58-Y61 PolarHBondContact O-N 3.06Å; A58-R62 WeakPolarHBondContact O-CB 3.36Å; A58-R62 PolarHBondContact O-N 3.48Å |
| 59 | L | 81.7 | Confident | 77.8 | Confident | 60 Ų | 60 | 113.1 Ų | 113.1 | 31% | 0.314 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.9 | -43.2 | 174.7 | -94.5 | 71.3 | 0 | 0 | 0 | 110.9 | A55 P56 S57 Y61 R62 G63 F64 W66 | A55-L59 WeakPolarHBondContact O-CB 3.02Å; A55-L59 VanDerWaalsContact O-CD1 3.24Å; A55-L59 WeakPolarHBondContact O-CD1 3.47Å; A55-L59 PolarHBondContact O-N 3.3Å; P56-L59 PolarHBondContact O-N 3.34Å; S57-L59 VanDerWaalsContact C-N 3.31Å; S57-L59 PolarHBondContact O-N 3.17Å; L59-Y61 PolarHBondContact O-N 3.3Å; L59-R62 CarbonylContact O-C 3.57Å; L59-R62 PolarHBondContact O-N 3.49Å; L59-R62 VanDerWaalsContact O-N 3.12Å; L59-G63 PolarHBondContact O-N 3.41Å; L59-F64 CarbonylContact C-O 3.23Å; L59-F64 VanDerWaalsContact C-O 3.23Å; L59-F64 HydrophobicContact CB-CB 3.86Å; L59-F64 HydrophobicContact CD2-CB 4.21Å; L59-F64 HydrophobicContact CG-CB 3.98Å; L59-F64 WeakPolarHBondContact O-CA 3.41Å; L59-F64 WeakPolarHBondContact O-CB 3.41Å; L59-F64 PolarHBondContact O-N 3.07Å; L59-W66 HydrophobicContact CD2-CE3 3.5Å; L59-W66 HydrophobicContact CD2-CZ3 3.67Å |
| 60 | M | 79.8 | Confident | 76.5 | Confident | 124 Ų | 124 | 115.5 Ų | 115.5 | 61% | 0.611 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -58.8 | -48 | 176.1 | -168.6 | -177.4 | 82.5 | 0 | 0 | 111.8 | P56 S57 R62 G63 F64 | P56-M60 WeakPolarHBondContact O-CB 3.24Å; P56-M60 PolarHBondContact O-N 2.93Å; S57-M60 WeakPolarHBondContact O-CB 3.43Å; S57-M60 PolarHBondContact O-N 3.12Å; M60-R62 PolarHBondContact O-N 3.17Å; M60-G63 PolarHBondContact O-N 2.8Å; M60-F64 PolarHBondContact N-O 3.39Å |
| 61 | Y | 80.4 | Confident | 74.9 | Confident | 190 Ų | 190 | 112.5 Ų | 112.5 | 75% | 0.745 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.2 | -28.9 | 176.7 | -68.2 | -57.4 | 0 | 0 | 0 | 113.2 | S57 A58 L59 G63 | S57-Y61 WeakPolarHBondContact O-CD2 2.99Å; S57-Y61 PolarHBondContact O-N 2.95Å; A58-Y61 PolarHBondContact O-N 3.06Å; L59-Y61 PolarHBondContact O-N 3.3Å; Y61-G63 VanDerWaalsContact C-N 3.25Å; Y61-G63 PolarHBondContact O-N 2.85Å |
| 62 | R | 84.3 | Confident | 73.3 | Confident | 201 Ų | 201 | 116.6 Ų | 116.6 | 76% | 0.758 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -5.4 | 175.7 | -172.1 | 57.1 | 175.7 | 172.8 | 1.3 | 113.1 | A58 L59 M60 F64 | A58-R62 WeakPolarHBondContact O-CB 3.36Å; A58-R62 PolarHBondContact O-N 3.48Å; L59-R62 CarbonylContact O-C 3.57Å; L59-R62 PolarHBondContact O-N 3.49Å; L59-R62 VanDerWaalsContact O-N 3.12Å; M60-R62 PolarHBondContact O-N 3.17Å; R62-F64 HydrophobicContact CB-CD2 3.95Å; R62-F64 HydrophobicContact CB-CE2 4.43Å; R62-F64 HydrophobicContact CG-CD2 3.67Å; R62-F64 HydrophobicContact CG-CE2 3.63Å |
| 63 | G | 81.8 | Confident | 71.5 | Confident | 62 Ų | 62 | 118.4 Ų | 118.4 | 64% | 0.639 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.2 | 11.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L59 M60 Y61 | L59-G63 PolarHBondContact O-N 3.41Å; M60-G63 PolarHBondContact O-N 2.8Å; Y61-G63 VanDerWaalsContact C-N 3.25Å; Y61-G63 PolarHBondContact O-N 2.85Å |
| 64 | F | 72.6 | Confident | 69.8 | Low | 129 Ų | 129 | 116 Ų | 116 | 57% | 0.566 | 63% | 0.629 | S | S | * | * | | | trans | -90.9 | 110 | 171.4 | -69.5 | -81 | 0 | 0 | 0 | 109.8 | L59 M60 R62 W66 | L59-F64 CarbonylContact C-O 3.23Å; L59-F64 VanDerWaalsContact C-O 3.23Å; L59-F64 HydrophobicContact CB-CB 3.86Å; L59-F64 HydrophobicContact CD2-CB 4.21Å; L59-F64 HydrophobicContact CG-CB 3.98Å; L59-F64 WeakPolarHBondContact O-CA 3.41Å; L59-F64 WeakPolarHBondContact O-CB 3.41Å; L59-F64 PolarHBondContact O-N 3.07Å; M60-F64 PolarHBondContact N-O 3.39Å; R62-F64 HydrophobicContact CB-CD2 3.95Å; R62-F64 HydrophobicContact CB-CE2 4.43Å; R62-F64 HydrophobicContact CG-CD2 3.67Å; R62-F64 HydrophobicContact CG-CE2 3.63Å; F64-W66 PolarHBondContact O-N 2.79Å |
| 65 | C | 72.2 | Confident | 68.2 | Low | 111 Ų | 111 | 121.6 Ų | 121.6 | 75% | 0.75 | 65% | 0.649 | S | S | * | * | | | trans | -71.1 | 102.3 | 176.8 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | S67 | C65-S67 PolarHBondContact O-N 3.01Š|
| 66 | W | 68.1 | Low | 66.5 | Low | 175 Ų | 175 | 123 Ų | 123 | 66% | 0.663 | 67% | 0.666 | S | S | * | * | | | trans | -74.6 | 62.9 | 167.6 | -163.3 | -82.6 | 0 | 0 | 0 | 110.3 | P56 L59 F64 | P56-W66 HydrophobicContact CB-CB 4.33Å; P56-W66 HydrophobicContact CB-CD2 4.35Å; P56-W66 HydrophobicContact CB-CG 4.06Å; P56-W66 HydrophobicContact CG-CD2 4.42Å; L59-W66 HydrophobicContact CD2-CE3 3.5Å; L59-W66 HydrophobicContact CD2-CZ3 3.67Å; F64-W66 PolarHBondContact O-N 2.79Å |
| 67 | S | 68.1 | Low | 65.1 | Low | 60 Ų | 60 | 131.3 Ų | 131.3 | 42% | 0.42 | 70% | 0.697 | S | S | . | * | | | trans | -94.3 | 141.2 | 179.7 | 61.2 | 0 | 0 | 0 | 0 | 109.6 | C65 L69 | C65-S67 PolarHBondContact O-N 3.01Å; S67-L69 PolarHBondContact O-N 3.47Å; S67-L69 WeakPolarHBondContact OG-CD1 3.36Å |
| 68 | K | 60.7 | Low | 63.8 | Low | 220 Ų | 220 | 140.5 Ų | 140.5 | 96% | 0.957 | 72% | 0.723 | S | S | * | * | | | trans | -66.8 | 30.6 | 169 | -64.9 | -174.1 | 178.9 | 178.5 | 0 | 112.6 | K70 | K68-K70 PolarHBondContact O-N 3.29Š|
| 69 | L | 57.5 | Low | 62.3 | Low | 145 Ų | 145 | 147.5 Ų | 147.5 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | | | trans | -90.2 | 91.2 | -176.7 | -71.7 | 167.1 | 0 | 0 | 0 | 109.7 | S67 | S67-L69 PolarHBondContact O-N 3.47Å; S67-L69 WeakPolarHBondContact OG-CD1 3.36Å |
| 70 | K | 57.7 | Low | 60.7 | Low | 195 Ų | 195 | 148 Ų | 148 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | | | trans | -99.9 | 153.8 | 149.5 | -85.3 | -142.2 | 178.5 | -178.7 | 0 | 109.2 | K68 | K68-K70 PolarHBondContact O-N 3.29Š|
| 71 | P | 52.3 | Low | 59.5 | Low | 99 Ų | 99 | 153.8 Ų | 153.8 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | | | cis | -137.1 | -161.4 | -42.2 | 33.1 | -13.1 | 0 | 0 | 0 | 108.8 | | |
| 72 | K | 51.1 | Low | 58.4 | Low | 209 Ų | 209 | 154.2 Ų | 154.2 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | 85.2 | 104.3 | 165.3 | -59.5 | 175.1 | 167.8 | 175.9 | 0 | 116.2 | | |
| 73 | G | 49.9 | Very low | 57 | Low | 87 Ų | 87 | 154.5 Ų | 154.5 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | | | trans | 140.8 | 76.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 74 | G | 49.8 | Very low | 55.2 | Low | 74 Ų | 74 | 162.5 Ų | 162.5 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | | | trans | -177.3 | -3.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.8 | G76 | G74-G76 PolarHBondContact O-N 3Š|
| 75 | K | 44.5 | Very low | 54.2 | Low | 225 Ų | 225 | 166.3 Ų | 166.3 | 98% | 0.978 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -68.5 | 97.9 | 160.9 | -106.8 | -179.8 | 176.1 | 177.8 | 0 | 108 | | |
| 76 | G | 46.3 | Very low | 53.2 | Low | 59 Ų | 59 | 174.4 Ų | 174.4 | 61% | 0.608 | 84% | 0.84 | S | S | * | * | | | trans | 90.5 | 78.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | G74 R78 | G74-G76 PolarHBondContact O-N 3Å; G76-R78 PolarHBondContact O-N 3.37Å |
| 77 | K | 50.8 | Low | 52.5 | Low | 220 Ų | 220 | 174.4 Ų | 174.4 | 96% | 0.957 | 85% | 0.849 | S | S | * | * | | | trans | -88.6 | 64.9 | 144.4 | -81.6 | -170.2 | 177.8 | -179.3 | 0 | 109.9 | | |
| 78 | R | 50.9 | Low | 51.6 | Low | 250 Ų | 250 | 180.4 Ų | 180.4 | 94% | 0.943 | 87% | 0.871 | S | S | * | * | | | trans | -101.5 | 70.1 | 151.6 | -93.2 | -177.8 | 147.5 | -175 | -4.7 | 106.8 | G76 | G76-R78 PolarHBondContact O-N 3.37Š|
| 79 | K | 47.8 | Very low | 51.1 | Low | 203 Ų | 203 | 178.2 Ų | 178.2 | 88% | 0.883 | 87% | 0.867 | S | S | * | * | | | trans | -132.6 | 124.3 | 170.4 | -80.3 | -169.5 | 177.2 | -178.4 | 0 | 108.1 | | |
| 80 | G | 49 | Very low | 50.8 | Low | 70 Ų | 70 | 180.2 Ų | 180.2 | 72% | 0.722 | 87% | 0.873 | S | S | * | * | | | trans | 114.4 | 37.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | K82 | G80-K82 PolarHBondContact O-N 2.94Š|
| 81 | R | 53.8 | Low | 50.3 | Low | 245 Ų | 245 | 179.3 Ų | 179.3 | 93% | 0.925 | 88% | 0.875 | S | S | * | * | | | trans | -60.7 | 93.5 | 154.7 | -169.4 | 174.5 | 167.1 | -157.2 | -2.6 | 106 | K83 | R81-K83 PolarHBondContact O-N 2.84Š|
| 82 | K | 56.4 | Low | 50.2 | Low | 200 Ų | 200 | 184.6 Ų | 184.6 | 87% | 0.87 | 89% | 0.89 | S | S | * | * | | | trans | -45.7 | 108 | 174.4 | -85.5 | 179.2 | 172.8 | 178 | 0 | 107.4 | G80 R84 | G80-K82 PolarHBondContact O-N 2.94Å; K82-R84 PolarHBondContact O-N 3.04Å |
| 83 | K | 55.5 | Low | 50.1 | Low | 206 Ų | 206 | 182.9 Ų | 182.9 | 90% | 0.896 | 89% | 0.889 | S | S | * | * | | | trans | -62.9 | 105.4 | 170.4 | -78.4 | -178.2 | 175.2 | 178.8 | 0 | 106.9 | R81 | R81-K83 PolarHBondContact O-N 2.84Š|
| 84 | R | 45.2 | Very low | 50.2 | Low | 230 Ų | 230 | 190.2 Ų | 190.2 | 87% | 0.868 | 89% | 0.888 | S | S | * | * | | | trans | -78.9 | 148.9 | 149.8 | -62.2 | 176 | 75.3 | -177.1 | 2.8 | 106.7 | K82 | K82-R84 PolarHBondContact O-N 3.04Š|
| 85 | K | 50.6 | Low | 50.2 | Low | 210 Ų | 210 | 199.9 Ų | 199.9 | 91% | 0.913 | 90% | 0.899 | S | S | * | * | | | trans | 111.8 | 114.3 | -170.3 | -69.6 | 175.8 | -179.7 | -164.6 | 0 | 108 | | |
| 86 | K | 51.5 | Low | 50.7 | Low | 281 Ų | 281 | 197.6 Ų | 197.6 | 100% | 1.222 | 89% | 0.891 | S | S | * | * | | | cis | -147.4 | 0 | 31 | -154.4 | 178.2 | -172.5 | -175.3 | 0 | 108.8 | | |