| 1 | M | 38.9 | Very low | 48.3 | Very low | 249 Ų | 249 | 169.1 Ų | 169.1 | 100% | 1.227 | 87% | 0.869 | S | S | * | * | | | | 0 | 125.1 | 0 | -75.4 | -170.8 | 170.9 | 0 | 0 | 109.4 | | |
| 2 | G | 41.7 | Very low | 48.1 | Very low | 80 Ų | 80 | 175.8 Ų | 175.8 | 83% | 0.825 | 88% | 0.875 | S | S | * | * | | | trans | 68.9 | 136 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 3 | R | 45.7 | Very low | 48.1 | Very low | 212 Ų | 212 | 172.9 Ų | 172.9 | 80% | 0.8 | 86% | 0.864 | S | S | * | * | | | cis | -165.8 | 126.5 | 9.7 | -144.3 | 173.2 | -173.5 | -153.7 | -0.3 | 107.7 | | |
| 4 | S | 46.6 | Very low | 48.4 | Very low | 116 Ų | 116 | 169.6 Ų | 169.6 | 81% | 0.811 | 86% | 0.862 | S | S | * | * | | | trans | -62.4 | 132.2 | 170.2 | 39.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 5 | R | 49.2 | Very low | 48.1 | Very low | 211 Ų | 211 | 166.7 Ų | 166.7 | 80% | 0.796 | 84% | 0.843 | S | S | * | * | | | trans | -139.8 | 96.7 | 163.1 | -72.3 | -174.4 | 177.3 | 160.6 | -2.1 | 110.7 | | |
| 6 | S | 47.1 | Very low | 47.6 | Very low | 116 Ų | 116 | 172 Ų | 172 | 81% | 0.811 | 85% | 0.85 | S | S | * | * | | | trans | -58.7 | 134.6 | 160.5 | 47.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 7 | R | 47 | Very low | 47.4 | Very low | 251 Ų | 251 | 173.1 Ų | 173.1 | 95% | 0.947 | 84% | 0.842 | S | S | * | * | | | trans | -151.4 | 115.3 | 151 | -109.1 | 171.5 | -173.2 | 178.8 | 0.7 | 109.7 | | |
| 8 | T | 57.6 | Low | 47 | Very low | 135 Ų | 135 | 176.8 Ų | 176.8 | 83% | 0.828 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 163.1 | 179.9 | 34.5 | 0 | 0 | 0 | 0 | 113.4 | | |
| 9 | P | 52.6 | Low | 46.6 | Very low | 113 Ų | 113 | 173.9 Ų | 173.9 | 73% | 0.734 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 152.2 | -171.8 | 36.2 | -33.2 | 0 | 0 | 0 | 112.7 | | |
| 10 | P | 56 | Low | 46.2 | Very low | 130 Ų | 130 | 176.6 Ų | 176.6 | 84% | 0.844 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -88 | 127.6 | 164.7 | 31.7 | -28.8 | 0 | 0 | 0 | 111.8 | | |
| 11 | R | 48.9 | Very low | 45.8 | Very low | 247 Ų | 247 | 173.8 Ų | 173.8 | 93% | 0.932 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 142.3 | 168.5 | -61.3 | 178.3 | 172.3 | -179.1 | -3 | 110.2 | | |
| 12 | R | 45.6 | Very low | 45.9 | Very low | 249 Ų | 249 | 166.4 Ų | 166.4 | 94% | 0.94 | 82% | 0.824 | S | S | * | * | | | trans | -138.6 | 125.7 | 160.8 | -157.1 | 161.5 | -175.2 | 169.7 | 0.1 | 110 | | |
| 13 | D | 47.9 | Very low | 45.9 | Very low | 139 Ų | 139 | 167.2 Ų | 167.2 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | | | trans | -56.4 | 147.4 | -162.8 | -72.7 | -77.2 | 0 | 0 | 0 | 118.3 | | |
| 14 | P | 53.6 | Low | 46.1 | Very low | 127 Ų | 127 | 169.4 Ų | 169.4 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | | | trans | -96.5 | 82.8 | 161.1 | 35.8 | -25.6 | 0 | 0 | 0 | 110.9 | | |
| 15 | E | 43.8 | Very low | 45.9 | Very low | 125 Ų | 125 | 171.8 Ų | 171.8 | 58% | 0.584 | 82% | 0.824 | S | S | * | * | | | trans | -126.3 | 84.8 | 172.9 | -87.9 | -97 | -177.3 | 0 | 0 | 109.7 | R17 | E15-R17 IonicContact OE1-NE 3.98Å; E15-R17 IonicContact OE1-NH2 3.24Å; E15-R17 PolarHBondContact OE1-NH2 3.05Å; E15-R17 IonicContact OE2-CZ 3.52Å; E15-R17 IonicContact OE2-NE 2.79Å; E15-R17 PolarHBondContact OE2-NE 3.04Å; E15-R17 IonicContact OE2-NH2 3.34Å; E15-R17 PolarHBondContact OE2-NH2 3.4Å |
| 16 | R | 40.3 | Very low | 45.8 | Very low | 252 Ų | 252 | 170 Ų | 170 | 95% | 0.951 | 83% | 0.825 | S | S | * | * | | | trans | -137.2 | 98 | 150.5 | -153.5 | 170.1 | -165.8 | -96.6 | 2 | 110.8 | | |
| 17 | R | 44.2 | Very low | 45.9 | Very low | 191 Ų | 191 | 173 Ų | 173 | 72% | 0.721 | 83% | 0.826 | S | S | * | * | | | trans | -59.7 | 144.6 | -173.2 | -64.6 | 171.4 | 178.1 | -141.8 | -8.1 | 113.6 | E15 | E15-R17 IonicContact OE1-NE 3.98Å; E15-R17 IonicContact OE1-NH2 3.24Å; E15-R17 PolarHBondContact OE1-NH2 3.05Å; E15-R17 IonicContact OE2-CZ 3.52Å; E15-R17 IonicContact OE2-NE 2.79Å; E15-R17 PolarHBondContact OE2-NE 3.04Å; E15-R17 IonicContact OE2-NH2 3.34Å; E15-R17 PolarHBondContact OE2-NH2 3.4Å |
| 18 | R | 38.8 | Very low | 45.9 | Very low | 240 Ų | 240 | 172 Ų | 172 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | | | trans | -28 | 129.6 | 148.5 | -81.1 | 165.5 | 166.5 | 158.8 | -3.2 | 113.6 | | |
| 19 | S | 39.6 | Very low | 45.4 | Very low | 122 Ų | 122 | 177 Ų | 177 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | | | trans | -143 | 116.1 | 144.6 | 21.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 20 | R | 38.4 | Very low | 45.3 | Very low | 226 Ų | 226 | 183.2 Ų | 183.2 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | | | trans | -76.4 | 154.8 | 171.5 | -80.3 | 169.4 | 162.4 | 158.9 | -7.8 | 109.8 | | |
| 21 | S | 39.4 | Very low | 44.8 | Very low | 119 Ų | 119 | 187.8 Ų | 187.8 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | | | trans | 70.9 | 108.3 | 149.5 | 46.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 22 | A | 40.7 | Very low | 44.8 | Very low | 94 Ų | 94 | 183.6 Ų | 183.6 | 78% | 0.777 | 83% | 0.831 | S | S | * | * | | | trans | -158.3 | 134.2 | 138.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 23 | S | 41.4 | Very low | 44.7 | Very low | 97 Ų | 97 | 183.7 Ų | 183.7 | 68% | 0.678 | 83% | 0.831 | S | S | * | * | | | trans | 67.8 | 72.5 | 155.9 | 61.1 | 0 | 0 | 0 | 0 | 121.8 | E25 | S23-E25 PolarHBondContact O-N 3.18Š|
| 24 | R | 48.8 | Very low | 44.8 | Very low | 257 Ų | 257 | 184.4 Ų | 184.4 | 97% | 0.97 | 84% | 0.835 | S | S | * | * | | | trans | -70.7 | 39.6 | 145.4 | -70.9 | 178.1 | 171.5 | 160.2 | -4.9 | 112.5 | | |
| 25 | E | 44.1 | Very low | 44.5 | Very low | 166 Ų | 166 | 189.8 Ų | 189.8 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | | | trans | -108.8 | 3.3 | -165.7 | -150.6 | -171.9 | 154.1 | 0 | 0 | 114.5 | S23 | S23-E25 PolarHBondContact O-N 3.18Š|
| 26 | H | 46.3 | Very low | 44.4 | Very low | 175 Ų | 175 | 189.1 Ų | 189.1 | 81% | 0.81 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -95 | -3.7 | -178.1 | -152.9 | 67.2 | 0 | 0 | 0 | 114.8 | | |
| 27 | E | 48.1 | Very low | 44.3 | Very low | 179 Ų | 179 | 189.1 Ų | 189.1 | 84% | 0.836 | 85% | 0.848 | S | S | * | * | S | Bend | trans | -96.3 | -7.4 | -168.4 | -153.8 | 166.1 | -167.6 | 0 | 0 | 114.9 | | |
| 28 | R | 47.8 | Very low | 44.4 | Very low | 229 Ų | 229 | 185.5 Ų | 185.5 | 86% | 0.864 | 85% | 0.852 | S | S | * | * | S | Bend | trans | -93.6 | -8.6 | -174.5 | -68.5 | -169.7 | -178.5 | -165.5 | 1.2 | 116.4 | R30 | R28-R30 PolarHBondContact O-N 2.95Š|
| 29 | R | 47.6 | Very low | 44.4 | Very low | 240 Ų | 240 | 185.4 Ų | 185.4 | 91% | 0.906 | 85% | 0.852 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 16.7 | -178.1 | -73.7 | -172.3 | 179.4 | 172.1 | 1.5 | 115 | | |
| 30 | R | 50.5 | Low | 44.7 | Very low | 243 Ų | 243 | 186.6 Ų | 186.6 | 92% | 0.917 | 85% | 0.849 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 4.6 | -177.9 | -92.8 | -159.9 | 179.9 | -165 | 2.6 | 116.2 | R28 | R28-R30 PolarHBondContact O-N 2.95Š|
| 31 | R | 46.2 | Very low | 44.9 | Very low | 226 Ų | 226 | 186.8 Ų | 186.8 | 85% | 0.853 | 85% | 0.849 | S | S | * | * | S | Bend | trans | -127.8 | 1.8 | -165 | -135.4 | 170.3 | -163 | 170.4 | 4.5 | 120.8 | | |
| 32 | D | 47.1 | Very low | 45 | Very low | 160 Ų | 160 | 187.4 Ų | 187.4 | 86% | 0.856 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -120.2 | 16.9 | -172.8 | -64.5 | -54.4 | 0 | 0 | 0 | 116.1 | | |
| 33 | R | 44.5 | Very low | 45.4 | Very low | 250 Ų | 250 | 194.5 Ų | 194.5 | 94% | 0.943 | 85% | 0.85 | S | S | * | * | | | trans | -118 | 32.7 | 178.1 | -142.3 | 167.4 | -140.2 | 168.7 | 6.3 | 115.1 | | |
| 34 | D | 49.3 | Very low | 45.8 | Very low | 154 Ų | 154 | 196.3 Ų | 196.3 | 82% | 0.824 | 85% | 0.853 | S | S | * | * | | | trans | -118.7 | 83.9 | 161.4 | -91.3 | -60.1 | 0 | 0 | 0 | 108.4 | | |
| 35 | R | 46.9 | Very low | 45.4 | Very low | 240 Ų | 240 | 195.7 Ų | 195.7 | 91% | 0.906 | 85% | 0.85 | S | S | * | * | | | trans | -178.4 | 131.7 | 153.7 | -104.4 | 149 | -177.1 | 157.3 | 0.2 | 110.4 | | |
| 36 | S | 43 | Very low | 45.7 | Very low | 112 Ų | 112 | 199.5 Ų | 199.5 | 78% | 0.783 | 86% | 0.857 | S | S | * | * | | | trans | 80.6 | 84.9 | 166.5 | 69.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 37 | R | 38.3 | Very low | 45.3 | Very low | 251 Ų | 251 | 200.5 Ų | 200.5 | 95% | 0.947 | 85% | 0.854 | S | S | * | * | | | | -169.4 | 77 | 128.7 | -103 | 164.9 | -173.7 | 169.5 | 2.4 | 110.8 | | |
| 38 | S | 45.6 | Very low | 45.2 | Very low | 116 Ų | 116 | 197.8 Ų | 197.8 | 81% | 0.811 | 86% | 0.855 | S | S | * | * | | | trans | -66.4 | 130.1 | 154.4 | -52 | 0 | 0 | 0 | 0 | 108.6 | | |
| 39 | R | 38.4 | Very low | 44.8 | Very low | 237 Ų | 237 | 196.4 Ų | 196.4 | 89% | 0.894 | 85% | 0.85 | S | S | * | * | | | trans | -173.5 | 117.4 | 143 | -106.3 | 168.1 | -172.1 | -171.5 | 1.9 | 110.4 | | |
| 40 | D | 46.8 | Very low | 44.8 | Very low | 148 Ų | 148 | 190.8 Ų | 190.8 | 79% | 0.791 | 85% | 0.847 | S | S | * | * | | | trans | -17.8 | 134.9 | 159.7 | -56.9 | -92.2 | 0 | 0 | 0 | 116 | | |
| 41 | R | 41.2 | Very low | 44.4 | Very low | 229 Ų | 229 | 190.9 Ų | 190.9 | 86% | 0.864 | 85% | 0.847 | S | S | * | * | | | trans | -170 | 124.7 | 132.4 | -105.4 | 168.9 | -155.9 | -177.6 | 3.3 | 112.6 | | |
| 42 | D | 42.2 | Very low | 44.3 | Very low | 133 Ų | 133 | 185 Ų | 185 | 71% | 0.711 | 84% | 0.841 | S | S | * | * | | | trans | 84.3 | 70.2 | 144.9 | -48.2 | -34.2 | 0 | 0 | 0 | 118 | D44 | D42-D44 PolarHBondContact O-N 3.31Š|
| 43 | R | 48.4 | Very low | 44.3 | Very low | 242 Ų | 242 | 183.4 Ų | 183.4 | 91% | 0.913 | 84% | 0.839 | S | S | * | * | | | | -35.9 | 86.4 | 128.8 | 179.2 | -174.1 | -105.6 | 171.4 | -5.5 | 111.2 | | |
| 44 | D | 50.4 | Low | 44.3 | Very low | 136 Ų | 136 | 180.1 Ų | 180.1 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | | | trans | -166.4 | 99.8 | 154.8 | -94 | -39.4 | 0 | 0 | 0 | 112 | D42 | D42-D44 PolarHBondContact O-N 3.31Š|
| 45 | R | 41.3 | Very low | 44.3 | Very low | 244 Ų | 244 | 184.7 Ų | 184.7 | 92% | 0.921 | 84% | 0.84 | S | S | * | * | | | trans | -164 | 71.6 | 150.8 | -105.8 | 161.5 | -159.2 | 176.5 | 7 | 109.2 | R47 | R45-R47 VanDerWaalsContact C-N 3.31Å; R45-R47 PolarHBondContact O-N 3.29Å |
| 46 | R | 49.1 | Very low | 44.3 | Very low | 245 Ų | 245 | 184.4 Ų | 184.4 | 93% | 0.925 | 84% | 0.839 | S | S | * | * | | | trans | -58.9 | 97.5 | 153.8 | -70.2 | -171.7 | 179.8 | -156.2 | 1.4 | 107.9 | | |
| 47 | R | 39 | Very low | 44.2 | Very low | 196 Ų | 196 | 190.5 Ų | 190.5 | 74% | 0.74 | 85% | 0.845 | S | S | * | * | | | trans | -139.2 | 83 | 161.4 | -157.7 | 169.5 | -165 | 175 | 5.4 | 109.6 | R45 R49 | R45-R47 VanDerWaalsContact C-N 3.31Å; R45-R47 PolarHBondContact O-N 3.29Å; R47-R49 PolarHBondContact O-N 3.04Å |
| 48 | S | 45.2 | Very low | 44.5 | Very low | 122 Ų | 122 | 183.7 Ų | 183.7 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | | | trans | -53.9 | 103.7 | 162.7 | -40.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 49 | R | 39.5 | Very low | 44.8 | Very low | 201 Ų | 201 | 189.9 Ų | 189.9 | 76% | 0.758 | 84% | 0.841 | S | S | * | * | | | trans | -144.8 | 88.3 | 162.9 | -122.1 | 170.9 | -172.5 | 168.8 | 1.8 | 108.4 | R47 R51 | R47-R49 PolarHBondContact O-N 3.04Å; R49-R51 PolarHBondContact O-N 3.17Å; R49-R51 VanDerWaalsContact O-N 3.12Å |
| 50 | S | 47.3 | Very low | 45.6 | Very low | 122 Ų | 122 | 184.2 Ų | 184.2 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | | | trans | -52 | 106.3 | 166.8 | 12 | 0 | 0 | 0 | 0 | 110.2 | | |
| 51 | R | 42.2 | Very low | 46.1 | Very low | 244 Ų | 244 | 182.9 Ų | 182.9 | 92% | 0.921 | 83% | 0.833 | S | S | * | * | | | trans | -162 | 128.1 | 149.8 | -115.3 | 161.7 | 179.5 | 163.7 | -0.8 | 110 | R49 | R49-R51 PolarHBondContact O-N 3.17Å; R49-R51 VanDerWaalsContact O-N 3.12Å |
| 52 | S | 44.9 | Very low | 46.8 | Very low | 104 Ų | 104 | 178 Ų | 178 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | | | trans | -58 | 163.8 | -161.1 | -52.2 | 0 | 0 | 0 | 0 | 116.5 | H54 | S52-H54 PolarHBondContact O-N 3.22Š|
| 53 | P | 47.2 | Very low | 47.3 | Very low | 125 Ų | 125 | 183 Ų | 183 | 81% | 0.812 | 84% | 0.84 | S | S | * | * | | | trans | -80.7 | 121.6 | -161.4 | 31 | -32 | 0 | 0 | 0 | 112.8 | R55 | P53-R55 PolarHBondContact O-N 3.07Š|
| 54 | H | 43.2 | Very low | 47.4 | Very low | 181 Ų | 181 | 182.9 Ų | 182.9 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | | | trans | -71.2 | 96 | 166.4 | -72.7 | -63 | 0 | 0 | 0 | 110.2 | S52 R56 | S52-H54 PolarHBondContact O-N 3.22Å; H54-R56 PolarHBondContact O-N 3.33Å |
| 55 | R | 49.9 | Very low | 47.3 | Very low | 251 Ų | 251 | 185.2 Ų | 185.2 | 95% | 0.947 | 85% | 0.845 | S | S | * | * | | | trans | -50.9 | 104.1 | 159.4 | -120.1 | -179.9 | -173.1 | -176.1 | 3.3 | 108.7 | P53 | P53-R55 PolarHBondContact O-N 3.07Š|
| 56 | R | 47.9 | Very low | 47.5 | Very low | 234 Ų | 234 | 185.2 Ų | 185.2 | 88% | 0.883 | 85% | 0.846 | S | S | * | * | | | trans | -116.7 | 128.6 | 163 | -72.6 | -160.4 | -178.5 | -132.8 | 3.4 | 109.6 | H54 | H54-R56 PolarHBondContact O-N 3.33Š|
| 57 | R | 40.8 | Very low | 47.2 | Very low | 239 Ų | 239 | 178.5 Ų | 178.5 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | | | trans | 97.6 | 64.1 | 151.6 | -139 | 172.3 | -155.9 | 173.5 | 4 | 117.9 | | |
| 58 | S | 44.1 | Very low | 47.8 | Very low | 109 Ų | 109 | 175 Ų | 175 | 76% | 0.762 | 84% | 0.841 | S | S | * | * | | | trans | -91.1 | 107.4 | 149.4 | -52.6 | 0 | 0 | 0 | 0 | 108.9 | T60 | S58-T60 PolarHBondContact O-N 2.91Å; S58-T60 VanDerWaalsContact O-N 3.16Å |
| 59 | R | 51.3 | Low | 47.8 | Very low | 245 Ų | 245 | 173.8 Ų | 173.8 | 93% | 0.925 | 83% | 0.833 | S | S | * | * | | | trans | -66 | 102.6 | 171.4 | -135.6 | 169.4 | -176 | 164.6 | -2.4 | 107.7 | | |
| 60 | T | 54.9 | Low | 48.6 | Very low | 119 Ų | 119 | 172.4 Ų | 172.4 | 73% | 0.73 | 84% | 0.84 | S | S | * | * | | | trans | -122.2 | 132.9 | 167 | 43.7 | 0 | 0 | 0 | 0 | 108.3 | S58 | S58-T60 PolarHBondContact O-N 2.91Å; S58-T60 VanDerWaalsContact O-N 3.16Å |
| 61 | P | 58.7 | Low | 48.4 | Very low | 119 Ų | 119 | 171.6 Ų | 171.6 | 77% | 0.773 | 83% | 0.834 | S | S | * | * | | | trans | -73.3 | 141.7 | -178.5 | 28.5 | -32.2 | 0 | 0 | 0 | 110.7 | R63 | P61-R63 PolarHBondContact O-N 3.39Š|
| 62 | P | 54.9 | Low | 48.6 | Very low | 128 Ų | 128 | 166 Ų | 166 | 83% | 0.831 | 83% | 0.83 | S | S | * | * | | | trans | -68.7 | 122.8 | -179.1 | 26.7 | -32 | 0 | 0 | 0 | 110.4 | R64 | P62-R64 PolarHBondContact O-N 2.91Å; P62-R64 VanDerWaalsContact O-N 3.14Å |
| 63 | R | 53.1 | Low | 48.7 | Very low | 236 Ų | 236 | 167.6 Ų | 167.6 | 89% | 0.891 | 83% | 0.834 | S | S | * | * | | | trans | -67.4 | 109.1 | 168.6 | -79 | -177.7 | 168.6 | 164.6 | -2.6 | 108.2 | P61 H65 | P61-R63 PolarHBondContact O-N 3.39Å; R63-H65 PolarHBondContact O-N 3.33Å |
| 64 | R | 49.4 | Very low | 48.7 | Very low | 240 Ų | 240 | 173.1 Ų | 173.1 | 91% | 0.906 | 84% | 0.839 | S | S | * | * | | | trans | -45.5 | 120.2 | 169.2 | -98.4 | 177.4 | 171.7 | -174.5 | -3.3 | 110.5 | P62 R66 | P62-R64 PolarHBondContact O-N 2.91Å; P62-R64 VanDerWaalsContact O-N 3.14Å; R64-R66 PolarHBondContact O-N 3.04Å |
| 65 | H | 50.1 | Low | 49.2 | Very low | 185 Ų | 185 | 172 Ų | 172 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | | | trans | -57.2 | 114.5 | 160.4 | -66.9 | -84.5 | 0 | 0 | 0 | 108.5 | R63 | R63-H65 PolarHBondContact O-N 3.33Š|
| 66 | R | 43.7 | Very low | 49.3 | Very low | 245 Ų | 245 | 169.7 Ų | 169.7 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | | | trans | -83.8 | 126.6 | 162.5 | -90.7 | -177.2 | 174.8 | 163.9 | -1.9 | 107.6 | R64 | R64-R66 PolarHBondContact O-N 3.04Š|
| 67 | S | 44.7 | Very low | 49.2 | Very low | 104 Ų | 104 | 163 Ų | 163 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | | | trans | -52.5 | 140.1 | -175.5 | 30.5 | 0 | 0 | 0 | 0 | 113.6 | S69 | S67-S69 PolarHBondContact O-N 3.19Š|
| 68 | S | 50.9 | Low | 49.8 | Very low | 121 Ų | 121 | 162.5 Ų | 162.5 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | | | trans | -36.3 | 111.2 | 152.1 | 178.1 | 0 | 0 | 0 | 0 | 111 | | |
| 69 | S | 45.8 | Very low | 50.2 | Low | 98 Ų | 98 | 167.9 Ų | 167.9 | 69% | 0.685 | 82% | 0.815 | S | S | * | * | | | trans | -134.5 | 98.1 | 157.3 | 43 | 0 | 0 | 0 | 0 | 107.4 | S67 S71 | S67-S69 PolarHBondContact O-N 3.19Å; S69-S71 PolarHBondContact O-N 2.97Å |
| 70 | L | 54.6 | Low | 50.3 | Low | 171 Ų | 171 | 163.5 Ų | 163.5 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | | | trans | 4.1 | 107.6 | 154.7 | -66.4 | 143 | 0 | 0 | 0 | 114.9 | | |
| 71 | S | 44.2 | Very low | 50.2 | Low | 106 Ų | 106 | 165.4 Ų | 165.4 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | | | trans | -138.5 | 138.8 | 157.4 | -68.1 | 0 | 0 | 0 | 0 | 108.8 | S69 V73 | S69-S71 PolarHBondContact O-N 2.97Å; S71-V73 PolarHBondContact O-N 3.49Å |
| 72 | P | 47.3 | Very low | 50 | Low | 126 Ų | 126 | 168.6 Ų | 168.6 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | | | trans | -66.2 | 130.9 | -153.7 | -22.5 | 34.8 | 0 | 0 | 0 | 113.1 | R74 | P72-R74 PolarHBondContact O-N 2.99Š|
| 73 | V | 46.8 | Very low | 50.1 | Low | 137 Ų | 137 | 173 Ų | 173 | 83% | 0.83 | 82% | 0.82 | S | S | * | * | | | trans | -56.3 | 109 | 167.3 | -175.4 | 0 | 0 | 0 | 0 | 106.6 | S71 Q75 | S71-V73 PolarHBondContact O-N 3.49Å; V73-Q75 PolarHBondContact O-N 3.18Å |
| 74 | R | 47.4 | Very low | 50.2 | Low | 241 Ų | 241 | 170.8 Ų | 170.8 | 91% | 0.909 | 82% | 0.817 | S | S | * | * | | | trans | -53.3 | 112.5 | 172.8 | -90.3 | 179.3 | 168.6 | 167.3 | -4.2 | 107.4 | P72 K76 | P72-R74 PolarHBondContact O-N 2.99Å; R74-K76 PolarHBondContact O-N 3.29Å |
| 75 | Q | 52.1 | Low | 50.3 | Low | 159 Ų | 159 | 168.4 Ų | 168.4 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | | | trans | -50.9 | 123.4 | -179.8 | -78.2 | 174.2 | -73.1 | 0 | 0 | 109.6 | V73 D77 | V73-Q75 PolarHBondContact O-N 3.18Å; Q75-D77 PolarHBondContact O-N 2.78Å |
| 76 | K | 51.8 | Low | 50.4 | Low | 201 Ų | 201 | 163.8 Ų | 163.8 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | -57.1 | 82.5 | 156.1 | -177.8 | -170.5 | 179.1 | -167.5 | 0 | 108.1 | R74 R78 | R74-K76 PolarHBondContact O-N 3.29Å; K76-R78 PolarHBondContact O-N 3.2Å |
| 77 | D | 47.2 | Very low | 51 | Low | 95 Ų | 95 | 160.6 Ų | 160.6 | 51% | 0.508 | 80% | 0.803 | S | S | . | * | | | trans | -94.1 | 92.1 | 170.3 | -88.1 | -36.6 | 0 | 0 | 0 | 110.5 | Q75 R79 | Q75-D77 PolarHBondContact O-N 2.78Å; D77-R79 PolarHBondContact O-N 3.04Å |
| 78 | R | 53.8 | Low | 51.3 | Low | 228 Ų | 228 | 163.5 Ų | 163.5 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | S | Bend | | 48.7 | 46.2 | 122.3 | -60.6 | 175.4 | 175 | 175.4 | -1.1 | 117.6 | K76 | K76-R78 PolarHBondContact O-N 3.2Š|
| 79 | R | 51.5 | Low | 51.5 | Low | 222 Ų | 222 | 166.8 Ų | 166.8 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -127 | 11.5 | 172.3 | -65.9 | -164 | -161.8 | -160.2 | 4.6 | 115.7 | D77 | D77-R79 PolarHBondContact O-N 3.04Š|
| 80 | D | 53.4 | Low | 51.7 | Low | 152 Ų | 152 | 167.9 Ų | 167.9 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -102 | -12.3 | 179.5 | -99.3 | -23.7 | 0 | 0 | 0 | 114.5 | | |
| 81 | D | 53.7 | Low | 51.4 | Low | 159 Ų | 159 | 163.2 Ų | 163.2 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -88.3 | -23.7 | -179.1 | -88.9 | -41.9 | 0 | 0 | 0 | 114.5 | R83 | D81-R83 PolarHBondContact O-N 2.9Š|
| 82 | E | 54.5 | Low | 51.8 | Low | 187 Ų | 187 | 167.9 Ų | 167.9 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -4.9 | -177.2 | -70.3 | -177 | 169.5 | 0 | 0 | 114.3 | | |
| 83 | R | 56.2 | Low | 52 | Low | 219 Ų | 219 | 166.3 Ų | 166.3 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 4.7 | -174.1 | -144.3 | 171.8 | -174.5 | -98.4 | -4 | 114.3 | D81 | D81-R83 PolarHBondContact O-N 2.9Š|
| 84 | K | 54.6 | Low | 52.3 | Low | 190 Ų | 190 | 163.4 Ų | 163.4 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -92.5 | -11.7 | -177.1 | -102.8 | -168.7 | 176.3 | -176.2 | 0 | 115.8 | | |
| 85 | E | 51.4 | Low | 52.7 | Low | 191 Ų | 191 | 159.2 Ų | 159.2 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -108.2 | 8.2 | -169.7 | -64.5 | -163.9 | 170.6 | 0 | 0 | 116.3 | | |
| 86 | A | 53.3 | Low | 52.8 | Low | 88 Ų | 88 | 153.5 Ų | 153.5 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -112.5 | 17.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 87 | K | 56.3 | Low | 53 | Low | 177 Ų | 177 | 146.4 Ų | 146.4 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | | | trans | -111.2 | 16.5 | -170.5 | -112.8 | -164.8 | -179 | -161.8 | 0 | 117.5 | | |
| 88 | D | 50.3 | Low | 53.5 | Low | 166 Ų | 166 | 145.8 Ų | 145.8 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | | | trans | -113.3 | 72.7 | 168.4 | -66.6 | -40.5 | 0 | 0 | 0 | 110.2 | | |
| 89 | K | 56.3 | Low | 53.8 | Low | 189 Ų | 189 | 142.3 Ų | 142.3 | 82% | 0.822 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 122 | 156.4 | -73.9 | -175.7 | 179.7 | -179.1 | 0 | 106.8 | G91 | K89-G91 PolarHBondContact O-N 3.43Š|
| 90 | P | 48.6 | Very low | 54 | Low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 128 | 176.3 | 24.5 | -32.3 | 0 | 0 | 0 | 108.5 | K92 | P90-K92 PolarHBondContact O-N 2.8Š|
| 91 | G | 48.4 | Very low | 54.1 | Low | 73 Ų | 73 | 132.7 Ų | 132.7 | 75% | 0.753 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 130.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | K89 S93 | K89-G91 PolarHBondContact O-N 3.43Å; G91-S93 PolarHBondContact O-N 3.24Å |
| 92 | K | 53.9 | Low | 53.9 | Low | 204 Ų | 204 | 133.2 Ų | 133.2 | 89% | 0.887 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 117.2 | 173.2 | -69.9 | 176 | 178.2 | -177.4 | 0 | 107.1 | P90 I94 | P90-K92 PolarHBondContact O-N 2.8Å; K92-I94 PolarHBondContact O-N 2.81Å |
| 93 | S | 51 | Low | 54.2 | Low | 93 Ų | 93 | 128.3 Ų | 128.3 | 65% | 0.65 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 121.6 | 170.7 | 51.6 | 0 | 0 | 0 | 0 | 108.2 | G91 Q95 | G91-S93 PolarHBondContact O-N 3.24Å; S93-Q95 PolarHBondContact O-N 3.49Å |
| 94 | I | 52.6 | Low | 54.4 | Low | 75 Ų | 75 | 122.5 Ų | 122.5 | 39% | 0.385 | 67% | 0.668 | S | S | . | * | | | trans | -55.8 | 108.4 | 173.6 | -62.5 | 172.3 | 0 | 0 | 0 | 106.8 | K92 I96 | K92-I94 PolarHBondContact O-N 2.81Å; I94-I96 HydrophobicContact CG2-CG1 4.37Å; I94-I96 PolarHBondContact O-N 3.45Å |
| 95 | Q | 55.4 | Low | 55.2 | Low | 154 Ų | 154 | 117.2 Ų | 117.2 | 72% | 0.72 | 65% | 0.652 | S | S | * | * | | | trans | -83 | 101.3 | 176.6 | -67.7 | -176.5 | -1.9 | 0 | 0 | 106.4 | S93 S97 S119 | S93-Q95 PolarHBondContact O-N 3.49Å; Q95-S97 PolarHBondContact O-N 2.85Å; Q95-S119 PolarHBondContact O-OG 3.39Å; Q95-S119 VanDerWaalsContact O-OG 3.07Å |
| 96 | I | 53.9 | Low | 56 | Low | 39 Ų | 39 | 116 Ų | 116 | 20% | 0.2 | 65% | 0.646 | C | S | . | * | | | trans | -72.2 | 120.9 | 171.4 | -58 | 171.7 | 0 | 0 | 0 | 106.1 | I94 D100 M101 I109 K113 | I94-I96 HydrophobicContact CG2-CG1 4.37Å; I94-I96 PolarHBondContact O-N 3.45Å; I96-D100 HydrophobicContact CG2-CB 4.2Å; I96-M101 HydrophobicContact CD1-CE 4.39Å; I96-M101 HydrophobicContact CG2-CE 4.3Å; I96-M101 HydrophobicContact CG2-CG 4.12Å; I96-I109 HydrophobicContact CD1-CG2 4.35Å; I96-K113 HydrophobicContact CD1-CB 3.98Å; I96-K113 HydrophobicContact CD1-CD 3.82Å; I96-K113 HydrophobicContact CD1-CG 3.91Å |
| 97 | S | 57.3 | Low | 56.8 | Low | 51 Ų | 51 | 118.4 Ų | 118.4 | 36% | 0.357 | 64% | 0.643 | S | S | . | * | | | trans | -62.1 | 141.9 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | Q95 E99 D100 | Q95-S97 PolarHBondContact O-N 2.85Å; S97-E99 PolarHBondContact O-N 3.47Å; S97-D100 PolarHBondContact O-N 2.93Å |
| 98 | A | 57.1 | Low | 57.4 | Low | 83 Ų | 83 | 114.3 Ų | 114.3 | 69% | 0.686 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -18.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 99 | E | 60.4 | Low | 58.3 | Low | 154 Ų | 154 | 107.7 Ų | 107.7 | 72% | 0.72 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -27.7 | 177.3 | -67.8 | 161.5 | 163.4 | 0 | 0 | 112.8 | S97 M101 | S97-E99 PolarHBondContact O-N 3.47Å; E99-M101 VanDerWaalsContact C-N 3.34Å |
| 100 | D | 55.1 | Low | 59.2 | Low | 72 Ų | 72 | 105 Ų | 105 | 39% | 0.385 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.3 | -12.8 | -179.8 | -72.6 | -46.1 | 0 | 0 | 0 | 113.5 | I96 S97 | I96-D100 HydrophobicContact CG2-CB 4.2Å; S97-D100 PolarHBondContact O-N 2.93Å |
| 101 | M | 55.3 | Low | 60.2 | Low | 100 Ų | 100 | 104.4 Ų | 104.4 | 49% | 0.493 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.4 | -7.3 | 174.8 | -74.1 | -157.3 | 174 | 0 | 0 | 113.3 | I96 E99 G103 I109 | I96-M101 HydrophobicContact CD1-CE 4.39Å; I96-M101 HydrophobicContact CG2-CE 4.3Å; I96-M101 HydrophobicContact CG2-CG 4.12Å; E99-M101 VanDerWaalsContact C-N 3.34Å; M101-G103 PolarHBondContact O-N 3.04Å; M101-I109 HydrophobicContact CB-CD1 4.24Å; M101-I109 HydrophobicContact CE-CG2 3.93Å; M101-I109 HydrophobicContact CG-CD1 4.1Å; M101-I109 HydrophobicContact CG-CG2 4.37Å |
| 102 | Q | 50.4 | Low | 61.3 | Low | 171 Ų | 171 | 103.5 Ų | 103.5 | 80% | 0.799 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 98.5 | -175.4 | -124.1 | 171.9 | 7.4 | 0 | 0 | 110.9 | | |
| 103 | G | 61 | Low | 62.1 | Low | 84 Ų | 84 | 99.3 Ų | 99.3 | 87% | 0.866 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 104 | 10.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | M101 | M101-G103 PolarHBondContact O-N 3.04Š|
| 104 | K | 59.5 | Low | 62.9 | Low | 96 Ų | 96 | 103 Ų | 103 | 42% | 0.417 | 54% | 0.536 | S | S | . | . | S | Bend | trans | -113 | 149.3 | 175.4 | -69.9 | 176 | -176.5 | 167.9 | 0 | 110.8 | E108 I109 | K104-E108 HydrophobicContact CB-CB 4.12Å; K104-E108 WeakPolarHBondContact CB-OE2 3.35Å; K104-I109 HydrophobicContact CB-CG1 4.2Å |
| 105 | T | 71.6 | Confident | 63.7 | Low | 79 Ų | 79 | 106.3 Ų | 106.3 | 49% | 0.485 | 55% | 0.552 | S | S | . | * | | | trans | -67.4 | 155.1 | 178.9 | 60.8 | 0 | 0 | 0 | 0 | 110.6 | E107 E108 I109 | T105-E107 PolarHBondContact O-N 3.33Å; T105-E108 PolarHBondContact N-OE2 3.47Å; T105-E108 WeakPolarHBondContact O-CB 3.36Å; T105-E108 PolarHBondContact O-N 3.33Å; T105-E108 WeakPolarHBondContact OG1-CG 3.37Å; T105-E108 PolarHBondContact OG1-N 3.24Å; T105-I109 PolarHBondContact O-N 3.15Å |
| 106 | E | 69.2 | Low | 64.4 | Low | 166 Ų | 166 | 100.7 Ų | 100.7 | 78% | 0.776 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -56.5 | -34.5 | 179.9 | -65.7 | 177.1 | 174.1 | 0 | 0 | 111.8 | I109 E110 | E106-I109 PolarHBondContact O-N 3.25Å; E106-E110 WeakPolarHBondContact O-CG 3.36Å; E106-E110 PolarHBondContact O-N 2.92Å |
| 107 | E | 68.4 | Low | 65.1 | Low | 139 Ų | 139 | 105.4 Ų | 105.4 | 65% | 0.65 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.6 | -38.2 | 174.5 | -60.8 | -176.1 | 165.9 | 0 | 0 | 112.7 | T105 M111 | T105-E107 PolarHBondContact O-N 3.33Å; E107-M111 HydrophobicContact CB-CE 4.09Å; E107-M111 VanDerWaalsContact O-CB 3.29Å; E107-M111 WeakPolarHBondContact O-CB 3.45Å; E107-M111 WeakPolarHBondContact O-CE 3.44Å; E107-M111 WeakPolarHBondContact O-CG 3.07Å; E107-M111 PolarHBondContact O-N 3.12Å |
| 108 | E | 68.9 | Low | 65.6 | Low | 90 Ų | 90 | 103.4 Ų | 103.4 | 42% | 0.421 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -70.3 | -35.1 | 175.4 | -74.4 | 175.6 | 163.8 | 0 | 0 | 111.9 | K104 T105 M111 M112 | K104-E108 HydrophobicContact CB-CB 4.12Å; K104-E108 WeakPolarHBondContact CB-OE2 3.35Å; T105-E108 PolarHBondContact N-OE2 3.47Å; T105-E108 WeakPolarHBondContact O-CB 3.36Å; T105-E108 PolarHBondContact O-N 3.33Å; T105-E108 WeakPolarHBondContact OG1-CG 3.37Å; T105-E108 PolarHBondContact OG1-N 3.24Å; E108-M111 HydrophobicContact CG-CE 4.47Å; E108-M111 PolarHBondContact O-N 3.46Å; E108-M112 VanDerWaalsContact O-CB 3.29Å; E108-M112 WeakPolarHBondContact O-CB 3.27Å; E108-M112 WeakPolarHBondContact O-CG 3.21Å; E108-M112 PolarHBondContact O-N 2.99Å |
| 109 | I | 70.8 | Confident | 66.2 | Low | 27 Ų | 27 | 101.8 Ų | 101.8 | 14% | 0.138 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -69.4 | -41.2 | 176 | -65.6 | 167.2 | 0 | 0 | 0 | 110.3 | I96 M101 K104 T105 E106 M112 K113 | I96-I109 HydrophobicContact CD1-CG2 4.35Å; M101-I109 HydrophobicContact CB-CD1 4.24Å; M101-I109 HydrophobicContact CE-CG2 3.93Å; M101-I109 HydrophobicContact CG-CD1 4.1Å; M101-I109 HydrophobicContact CG-CG2 4.37Å; K104-I109 HydrophobicContact CB-CG1 4.2Å; T105-I109 PolarHBondContact O-N 3.15Å; E106-I109 PolarHBondContact O-N 3.25Å; I109-M112 PolarHBondContact O-N 2.95Å; I109-K113 WeakPolarHBondContact O-CB 3.29Å; I109-K113 PolarHBondContact O-N 3.2Å |
| 110 | E | 73.8 | Confident | 67 | Low | 132 Ų | 132 | 104.3 Ų | 104.3 | 62% | 0.617 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.7 | -41.9 | 172.7 | -75.7 | -171.1 | 167.9 | 0 | 0 | 111.8 | E106 M112 K113 M114 | E106-E110 WeakPolarHBondContact O-CG 3.36Å; E106-E110 PolarHBondContact O-N 2.92Å; E110-M112 PolarHBondContact O-N 3.28Å; E110-K113 PolarHBondContact O-N 3.43Å; E110-M114 VanDerWaalsContact O-CB 3.27Å; E110-M114 WeakPolarHBondContact O-CB 3.29Å; E110-M114 WeakPolarHBondContact O-CG 3.03Å; E110-M114 PolarHBondContact O-N 3.43Å |
| 111 | M | 71.3 | Confident | 68 | Low | 110 Ų | 110 | 106.8 Ų | 106.8 | 54% | 0.542 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 173.5 | -77.7 | -171.7 | -90.6 | 0 | 0 | 112 | E107 E108 K113 M114 M115 | E107-M111 HydrophobicContact CB-CE 4.09Å; E107-M111 VanDerWaalsContact O-CB 3.29Å; E107-M111 WeakPolarHBondContact O-CB 3.45Å; E107-M111 WeakPolarHBondContact O-CE 3.44Å; E107-M111 WeakPolarHBondContact O-CG 3.07Å; E107-M111 PolarHBondContact O-N 3.12Å; E108-M111 HydrophobicContact CG-CE 4.47Å; E108-M111 PolarHBondContact O-N 3.46Å; M111-K113 VanDerWaalsContact C-N 3.34Å; M111-M114 PolarHBondContact O-N 3.17Å; M111-M115 VanDerWaalsContact O-CB 3.29Å; M111-M115 WeakPolarHBondContact O-CB 3.28Å; M111-M115 VanDerWaalsContact O-CG 3.28Å; M111-M115 WeakPolarHBondContact O-CG 3.29Å; M111-M115 PolarHBondContact O-N 3.21Å |
| 112 | M | 70.1 | Confident | 69.3 | Low | 54 Ų | 54 | 105 Ų | 105 | 27% | 0.266 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 174.7 | -73.1 | -87.9 | -74.3 | 0 | 0 | 111.6 | E108 I109 E110 G116 F117 | E108-M112 VanDerWaalsContact O-CB 3.29Å; E108-M112 WeakPolarHBondContact O-CB 3.27Å; E108-M112 WeakPolarHBondContact O-CG 3.21Å; E108-M112 PolarHBondContact O-N 2.99Å; I109-M112 PolarHBondContact O-N 2.95Å; E110-M112 PolarHBondContact O-N 3.28Å; M112-G116 CarbonylContact O-C 3.57Å; M112-G116 PolarHBondContact O-N 3.35Å; M112-F117 HydrophobicContact CB-CB 4.3Å; M112-F117 HydrophobicContact CE-CB 3.82Å; M112-F117 PolarHBondContact O-N 2.76Å; M112-F117 HydrophobicContact SD-CB 3.61Å; M112-F117 HydrophobicContact SD-CD2 4.03Å; M112-F117 HydrophobicContact SD-CG 4.05Å |
| 113 | K | 71.1 | Confident | 70.8 | Confident | 116 Ų | 116 | 101.5 Ų | 101.5 | 50% | 0.504 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.6 | -42.5 | 176.1 | -166.3 | 178.5 | -171.1 | 177 | 0 | 112.1 | I96 I109 E110 M111 G116 | I96-K113 HydrophobicContact CD1-CB 3.98Å; I96-K113 HydrophobicContact CD1-CD 3.82Å; I96-K113 HydrophobicContact CD1-CG 3.91Å; I109-K113 WeakPolarHBondContact O-CB 3.29Å; I109-K113 PolarHBondContact O-N 3.2Å; E110-K113 PolarHBondContact O-N 3.43Å; M111-K113 VanDerWaalsContact C-N 3.34Å; K113-G116 PolarHBondContact O-N 3.49Å |
| 114 | M | 68.6 | Low | 71.8 | Confident | 170 Ų | 170 | 106.4 Ų | 106.4 | 84% | 0.837 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.2 | -40.7 | 177.5 | -73.8 | -96.9 | -80.3 | 0 | 0 | 111.7 | E110 M111 G116 | E110-M114 VanDerWaalsContact O-CB 3.27Å; E110-M114 WeakPolarHBondContact O-CB 3.29Å; E110-M114 WeakPolarHBondContact O-CG 3.03Å; E110-M114 PolarHBondContact O-N 3.43Å; M111-M114 PolarHBondContact O-N 3.17Å; M114-G116 VanDerWaalsContact C-N 3.3Å |
| 115 | M | 69.8 | Low | 72.9 | Confident | 146 Ų | 146 | 106.1 Ų | 106.1 | 72% | 0.719 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -4.5 | 176.4 | -65.7 | -68.6 | -175.7 | 0 | 0 | 113.3 | M111 F117 | M111-M115 VanDerWaalsContact O-CB 3.29Å; M111-M115 WeakPolarHBondContact O-CB 3.28Å; M111-M115 VanDerWaalsContact O-CG 3.28Å; M111-M115 WeakPolarHBondContact O-CG 3.29Å; M111-M115 PolarHBondContact O-N 3.21Å; M115-F117 HydrophobicContact CB-CD2 3.51Å; M115-F117 HydrophobicContact CB-CE2 3.47Å; M115-F117 VanDerWaalsContact CB-CE2 3.47Å; M115-F117 HydrophobicContact CG-CE2 4.28Å |
| 116 | G | 69.5 | Low | 73.6 | Confident | 35 Ų | 35 | 108.1 Ų | 108.1 | 36% | 0.361 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 79.7 | 16.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | M112 K113 M114 G118 | M112-G116 CarbonylContact O-C 3.57Å; M112-G116 PolarHBondContact O-N 3.35Å; K113-G116 PolarHBondContact O-N 3.49Å; M114-G116 VanDerWaalsContact C-N 3.3Å; G116-G118 PolarHBondContact O-N 2.72Å |
| 117 | F | 68.6 | Low | 74.2 | Confident | 139 Ų | 139 | 108.8 Ų | 108.8 | 61% | 0.61 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -0.8 | -179.6 | -69.4 | -65.8 | 0 | 0 | 0 | 114.8 | M112 M115 | M112-F117 HydrophobicContact CB-CB 4.3Å; M112-F117 HydrophobicContact CE-CB 3.82Å; M112-F117 PolarHBondContact O-N 2.76Å; M112-F117 HydrophobicContact SD-CB 3.61Å; M112-F117 HydrophobicContact SD-CD2 4.03Å; M112-F117 HydrophobicContact SD-CG 4.05Å; M115-F117 HydrophobicContact CB-CD2 3.51Å; M115-F117 HydrophobicContact CB-CE2 3.47Å; M115-F117 VanDerWaalsContact CB-CE2 3.47Å; M115-F117 HydrophobicContact CG-CE2 4.28Å |
| 118 | G | 67.2 | Low | 75.1 | Confident | 8 Ų | 8 | 104.1 Ų | 104.1 | 8% | 0.082 | 54% | 0.54 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | G116 | G116-G118 PolarHBondContact O-N 2.72Š|
| 119 | S | 70 | Confident | 75.7 | Confident | 50 Ų | 50 | 106.4 Ų | 106.4 | 35% | 0.35 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -153.9 | 117.9 | 176.5 | -69.6 | 0 | 0 | 0 | 0 | 110.8 | Q95 D121 | Q95-S119 PolarHBondContact O-OG 3.39Å; Q95-S119 VanDerWaalsContact O-OG 3.07Å; S119-D121 PolarHBondContact O-N 3.22Å |
| 120 | F | 78.1 | Confident | 76.3 | Confident | 207 Ų | 207 | 108.7 Ų | 108.7 | 91% | 0.908 | 59% | 0.585 | S | S | * | * | | | trans | -81.4 | 96.6 | 178.3 | -168 | -98 | 0 | 0 | 0 | 111.1 | | |
| 121 | D | 76.1 | Confident | 76.6 | Confident | 124 Ų | 124 | 107.2 Ų | 107.2 | 66% | 0.663 | 59% | 0.59 | S | S | * | * | | | trans | -83.3 | 123 | 174.2 | -92.2 | -48 | 0 | 0 | 0 | 111.7 | S119 K126 | S119-D121 PolarHBondContact O-N 3.22Å; D121-K126 IonicContact OD1-NZ 3.79Å |
| 122 | S | 80.8 | Confident | 77.2 | Confident | 62 Ų | 62 | 106.8 Ų | 106.8 | 43% | 0.434 | 59% | 0.593 | S | S | . | * | | | trans | -80.6 | 133.1 | 168.9 | -170.2 | 0 | 0 | 0 | 0 | 111.2 | K124 K126 | S122-K124 PolarHBondContact OG-N 3.39Å; S122-K126 WeakPolarHBondContact O-CD 3.36Å; S122-K126 WeakPolarHBondContact O-CE 3.35Å; S122-K126 PolarHBondContact O-NZ 2.9Å |
| 123 | T | 82.7 | Confident | 77.7 | Confident | 98 Ų | 98 | 108.8 Ų | 108.8 | 60% | 0.601 | 61% | 0.605 | S | S | * | * | | | trans | -89.8 | -6.2 | 172 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | G125 K126 T128 | T123-G125 PolarHBondContact O-N 3.14Å; T123-K126 PolarHBondContact O-N 3.45Å; T123-K126 VanDerWaalsContact O-N 3.15Å; T123-T128 HydrophobicContact CG2-CG2 4.08Å |
| 124 | K | 81.6 | Confident | 78.4 | Confident | 187 Ų | 187 | 107.1 Ų | 107.1 | 81% | 0.813 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | 121.5 | -179.9 | -171.7 | 177.6 | -179.6 | -179.6 | 0 | 110.1 | S122 K126 | S122-K124 PolarHBondContact OG-N 3.39Å; K124-K126 PolarHBondContact O-N 3.21Å |
| 125 | G | 82.9 | Confident | 79.4 | Confident | 89 Ų | 89 | 108.8 Ų | 108.8 | 92% | 0.918 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.3 | 1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T123 | T123-G125 PolarHBondContact O-N 3.14Š|
| 126 | K | 85.9 | Confident | 80.4 | Confident | 122 Ų | 122 | 106.8 Ų | 106.8 | 53% | 0.53 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -101.6 | 137.2 | 174 | -62.7 | -178.8 | -170.3 | 157.4 | 0 | 109.6 | D121 S122 T123 K124 T128 | D121-K126 IonicContact OD1-NZ 3.79Å; S122-K126 WeakPolarHBondContact O-CD 3.36Å; S122-K126 WeakPolarHBondContact O-CE 3.35Å; S122-K126 PolarHBondContact O-NZ 2.9Å; T123-K126 PolarHBondContact O-N 3.45Å; T123-K126 VanDerWaalsContact O-N 3.15Å; K124-K126 PolarHBondContact O-N 3.21Å; K126-T128 PolarHBondContact O-N 3.43Å |
| 127 | K | 83.3 | Confident | 81.5 | Confident | 179 Ų | 179 | 110.5 Ų | 110.5 | 78% | 0.778 | 63% | 0.633 | S | S | * | * | | | trans | -71.5 | 114.1 | 171.3 | -175.8 | 178.6 | 178.9 | 178.8 | 0 | 108.5 | | |
| 128 | T | 85.4 | Confident | 82.6 | Confident | 42 Ų | 42 | 110.8 Ų | 110.8 | 26% | 0.258 | 64% | 0.641 | S | S | . | * | | | trans | -78.3 | 138 | 174.7 | 46.5 | 0 | 0 | 0 | 0 | 110.4 | T123 K126 V132 | T123-T128 HydrophobicContact CG2-CG2 4.08Å; K126-T128 PolarHBondContact O-N 3.43Å; T128-V132 WeakPolarHBondContact OG1-CB 3.41Å; T128-V132 WeakPolarHBondContact OG1-CG1 3.43Å |
| 129 | D | 82.8 | Confident | 83.8 | Confident | 138 Ų | 138 | 115.2 Ų | 115.2 | 74% | 0.738 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -72.9 | 155.9 | 175.2 | -73 | -45.5 | 0 | 0 | 0 | 111.2 | | |
| 130 | G | 83.3 | Confident | 84.8 | Confident | 74 Ų | 74 | 118.6 Ų | 118.6 | 76% | 0.763 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 96.2 | -158 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114 | V132 | G130-V132 VanDerWaalsContact C-N 3.29Å; G130-V132 PolarHBondContact O-N 3.49Å |
| 131 | S | 79.9 | Confident | 85.5 | Confident | 101 Ų | 101 | 116.8 Ų | 116.8 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -87.3 | 10.6 | -177.3 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | N133 A134 | S131-N133 PolarHBondContact O-N 2.93Å; S131-N133 VanDerWaalsContact O-N 3.12Å; S131-A134 WeakPolarHBondContact O-CB 3.17Å; S131-A134 PolarHBondContact O-N 3.5Å |
| 132 | V | 83.6 | Confident | 86.2 | Confident | 102 Ų | 102 | 120.3 Ų | 120.3 | 62% | 0.618 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -32.5 | -176.2 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | T128 G130 | T128-V132 WeakPolarHBondContact OG1-CB 3.41Å; T128-V132 WeakPolarHBondContact OG1-CG1 3.43Å; G130-V132 VanDerWaalsContact C-N 3.29Å; G130-V132 PolarHBondContact O-N 3.49Å |
| 133 | N | 80.8 | Confident | 86.6 | Confident | 96 Ų | 96 | 127 Ų | 127 | 51% | 0.513 | 71% | 0.706 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -104.7 | 24 | 177.9 | -61.9 | -57.9 | 0 | 0 | 0 | 112.9 | S131 Y135 | S131-N133 PolarHBondContact O-N 2.93Å; S131-N133 VanDerWaalsContact O-N 3.12Å; N133-Y135 WeakPolarHBondContact O-CD1 3.45Å; N133-Y135 PolarHBondContact O-N 3.35Å |
| 134 | A | 86.4 | Confident | 86.9 | Confident | 80 Ų | 80 | 130 Ų | 130 | 66% | 0.661 | 71% | 0.711 | S | S | * | * | | | trans | -74.3 | 112.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | S131 | S131-A134 WeakPolarHBondContact O-CB 3.17Å; S131-A134 PolarHBondContact O-N 3.5Å |
| 135 | Y | 87.8 | Confident | 87.3 | Confident | 206 Ų | 206 | 127.9 Ų | 127.9 | 81% | 0.808 | 70% | 0.699 | S | S | * | * | | | trans | -127.8 | 144.3 | 172.7 | 69.4 | -85.8 | 0 | 0 | 0 | 110.3 | N133 V137 | N133-Y135 WeakPolarHBondContact O-CD1 3.45Å; N133-Y135 PolarHBondContact O-N 3.35Å; Y135-V137 HydrophobicContact CD2-CG2 4.18Å |
| 136 | A | 90.9 | Very high | 87.7 | Confident | 104 Ų | 104 | 128.9 Ų | 128.9 | 86% | 0.86 | 68% | 0.675 | S | S | * | * | | | trans | -132.4 | 130.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 137 | V | 92.8 | Very high | 87.8 | Confident | 113 Ų | 113 | 126.9 Ų | 126.9 | 69% | 0.685 | 67% | 0.668 | S | S | * | * | | | trans | -115.7 | 120.8 | 178.9 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | Y135 V139 | Y135-V137 HydrophobicContact CD2-CG2 4.18Å; V137-V139 HydrophobicContact CG1-CG2 3.55Å |
| 138 | N | 91.8 | Very high | 87.9 | Confident | 144 Ų | 144 | 126 Ų | 126 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | | | trans | -100.8 | 97.7 | 172 | -174.7 | -4 | 0 | 0 | 0 | 109.7 | | |
| 139 | V | 92.7 | Very high | 88.1 | Confident | 101 Ų | 101 | 131.1 Ų | 131.1 | 61% | 0.612 | 68% | 0.683 | S | S | * | * | | | trans | -95.3 | 111.1 | 178.4 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | V137 M141 | V137-V139 HydrophobicContact CG1-CG2 3.55Å; V139-M141 HydrophobicContact CG1-CE 4.39Å; V139-M141 HydrophobicContact CG1-CG 4.25Å |
| 140 | T | 91.4 | Very high | 88.2 | Confident | 122 Ų | 122 | 132.1 Ų | 132.1 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | | | trans | -103.2 | 106.1 | 170.9 | 53.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 141 | M | 92.4 | Very high | 88.5 | Confident | 168 Ų | 168 | 130.5 Ų | 130.5 | 83% | 0.828 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 132.9 | 175.3 | -65.2 | -175.1 | 178.3 | 0 | 0 | 110.2 | V139 R143 | V139-M141 HydrophobicContact CG1-CE 4.39Å; V139-M141 HydrophobicContact CG1-CG 4.25Å; M141-R143 PolarHBondContact O-N 3.31Å |
| 142 | K | 90.3 | Very high | 88.6 | Confident | 198 Ų | 198 | 135.1 Ų | 135.1 | 86% | 0.861 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 132.5 | 172.3 | -71.7 | -174.2 | 179.2 | -179.7 | 0 | 109.5 | K144 | K142-K144 PolarHBondContact O-N 3.23Š|
| 143 | R | 89.9 | Confident | 88.6 | Confident | 203 Ų | 203 | 132.8 Ų | 132.8 | 77% | 0.766 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 120.4 | 173.8 | -70.9 | -175.6 | 176 | 149.9 | 1.2 | 109 | M141 Y145 | M141-R143 PolarHBondContact O-N 3.31Å; R143-Y145 HydrophobicContact CB-CE1 4.38Å; R143-Y145 HydrophobicContact CB-CE2 4.12Å; R143-Y145 PolarHBondContact O-N 3.04Å |
| 144 | K | 89.8 | Confident | 88.7 | Confident | 162 Ų | 162 | 130.4 Ų | 130.4 | 70% | 0.704 | 66% | 0.662 | S | S | * | * | | | trans | -87.9 | 104.9 | 171.7 | -63.5 | -175.2 | 179.7 | -179.2 | 0 | 108.4 | K142 F161 | K142-K144 PolarHBondContact O-N 3.23Å; K144-F161 HydrophobicContact CB-CD1 3.67Å; K144-F161 HydrophobicContact CB-CE1 3.8Å; K144-F161 HydrophobicContact CD-CD1 4.28Å; K144-F161 HydrophobicContact CD-CE1 4.06Å; K144-F161 HydrophobicContact CD-CZ 4.49Å |
| 145 | Y | 89.9 | Confident | 88.5 | Confident | 142 Ų | 142 | 135.8 Ų | 135.8 | 56% | 0.557 | 67% | 0.671 | S | S | * | * | | | trans | -78.7 | 156.6 | 177.1 | -63.2 | -73.8 | 0 | 0 | 0 | 110.8 | R143 F161 I162 | R143-Y145 HydrophobicContact CB-CE1 4.38Å; R143-Y145 HydrophobicContact CB-CE2 4.12Å; R143-Y145 PolarHBondContact O-N 3.04Å; Y145-F161 VanDerWaalsContact O-CA 3.31Å; Y145-F161 WeakPolarHBondContact O-CA 3.48Å; Y145-I162 PolarHBondContact O-N 2.79Å |
| 146 | R | 89.7 | Confident | 88.3 | Confident | 109 Ų | 109 | 133.5 Ų | 133.5 | 41% | 0.411 | 67% | 0.672 | S | S | . | * | B | Isolated β-bridge | trans | -120.6 | 135.3 | -177.2 | -64.7 | 177.3 | 85.7 | -145.6 | -0.1 | 109.4 | Y148 L159 D160 F161 I162 | R146-Y148 HydrophobicContact CB-CE2 4.13Å; R146-Y148 VanDerWaalsContact O-CD2 3.27Å; R146-Y148 WeakPolarHBondContact O-CD2 2.9Å; R146-L159 HydrophobicContact CB-CB 3.67Å; R146-L159 HydrophobicContact CB-CD1 3.49Å; R146-L159 VanDerWaalsContact CB-CD1 3.49Å; R146-L159 HydrophobicContact CB-CG 4.21Å; R146-L159 HydrophobicContact CG-CB 4.19Å; R146-L159 HydrophobicContact CG-CD1 4.21Å; R146-L159 VanDerWaalsContact CZ-CG 3.4Å; R146-L159 VanDerWaalsContact NH2-N 3.15Å; R146-D160 CarbonylContact C-O 3.58Å; R146-D160 VanDerWaalsContact CA-O 3.31Å; R146-D160 WeakPolarHBondContact CA-O 3.47Å; R146-F161 HydrophobicContact CG-CD1 4.5Å; R146-I162 WeakPolarHBondContact O-CD1 3.29Å |
| 147 | Q | 87.9 | Confident | 88.1 | Confident | 80 Ų | 80 | 135.8 Ų | 135.8 | 37% | 0.374 | 66% | 0.659 | S | S | . | * | | | trans | -81 | 123.6 | 178.2 | -171.5 | 172.6 | -11.4 | 0 | 0 | 109.6 | M149 R151 L159 D160 I162 | Q147-M149 WeakPolarHBondContact CG-O 3.28Å; Q147-M149 PolarHBondContact NE2-O 3.16Å; Q147-R151 HydrophobicContact CG-CG 4.36Å; Q147-R151 WeakPolarHBondContact O-CD 3.44Å; Q147-R151 WeakPolarHBondContact O-CG 3.34Å; Q147-R151 PolarHBondContact O-NE 2.99Å; Q147-L159 VanDerWaalsContact O-CD2 3.28Å; Q147-L159 WeakPolarHBondContact O-CD2 3.27Å; Q147-D160 PolarHBondContact N-O 3.05Å; Q147-I162 HydrophobicContact CB-CD1 4.26Å; Q147-I162 HydrophobicContact CB-CG1 3.78Å |
| 148 | Y | 86.8 | Confident | 87.8 | Confident | 160 Ų | 160 | 135.2 Ų | 135.2 | 63% | 0.627 | 66% | 0.658 | S | S | * | * | | | trans | -102.8 | -35 | 178.2 | -74.2 | -91.5 | 0 | 0 | 0 | 112.9 | R146 R151 L159 | R146-Y148 HydrophobicContact CB-CE2 4.13Å; R146-Y148 VanDerWaalsContact O-CD2 3.27Å; R146-Y148 WeakPolarHBondContact O-CD2 2.9Å; Y148-R151 VanDerWaalsContact O-CD 3.27Å; Y148-R151 WeakPolarHBondContact O-CD 3.31Å; Y148-R151 WeakPolarHBondContact O-CG 3.48Å; Y148-L159 HydrophobicContact CD1-CD1 3.72Å; Y148-L159 HydrophobicContact CD1-CD2 3.81Å; Y148-L159 HydrophobicContact CD2-CD1 4.1Å; Y148-L159 HydrophobicContact CE1-CD1 3.17Å; Y148-L159 HydrophobicContact CE1-CD2 4.02Å; Y148-L159 HydrophobicContact CE1-CG 4.27Å; Y148-L159 HydrophobicContact CE2-CD1 3.6Å; Y148-L159 HydrophobicContact CG-CD1 4.15Å; Y148-L159 HydrophobicContact CG-CD2 4.27Å; Y148-L159 WeakPolarHBondContact OH-CD1 3.08Å |
| 149 | M | 88.6 | Confident | 87.5 | Confident | 150 Ų | 150 | 129.2 Ų | 129.2 | 74% | 0.739 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -95.6 | 146.2 | -173.9 | -62.1 | -58.5 | -175.4 | 0 | 0 | 111.8 | Q147 R151 | Q147-M149 WeakPolarHBondContact CG-O 3.28Å; Q147-M149 PolarHBondContact NE2-O 3.16Å; M149-R151 PolarHBondContact O-N 3.01Å |
| 150 | N | 86.1 | Confident | 87 | Confident | 159 Ų | 159 | 128.4 Ų | 128.4 | 85% | 0.85 | 62% | 0.617 | S | S | * | * | S | Bend | trans | 51 | 42.7 | 176 | -57.9 | -19.7 | 0 | 0 | 0 | 113.2 | | |
| 151 | R | 89.4 | Confident | 86.4 | Confident | 40 Ų | 40 | 129 Ų | 129 | 15% | 0.151 | 61% | 0.61 | C | S | . | * | | | trans | -81.2 | 135.3 | -179.9 | -59.4 | 169.3 | 63.6 | -151.1 | -5.7 | 110.6 | Q147 Y148 M149 G153 R157 P158 L159 | Q147-R151 HydrophobicContact CG-CG 4.36Å; Q147-R151 WeakPolarHBondContact O-CD 3.44Å; Q147-R151 WeakPolarHBondContact O-CG 3.34Å; Q147-R151 PolarHBondContact O-NE 2.99Å; Y148-R151 VanDerWaalsContact O-CD 3.27Å; Y148-R151 WeakPolarHBondContact O-CD 3.31Å; Y148-R151 WeakPolarHBondContact O-CG 3.48Å; M149-R151 PolarHBondContact O-N 3.01Å; R151-G153 PolarHBondContact O-N 3.48Å; R151-R157 PolarHBondContact NH1-O 2.97Å; R151-R157 VanDerWaalsContact NH2-C 3.31Å; R151-R157 PolarHBondContact NH2-O 2.95Å; R151-P158 PolarHBondContact NH2-O 3.06Å; R151-L159 VanDerWaalsContact NH2-CA 3.34Å |
| 152 | K | 81.1 | Confident | 85.5 | Confident | 198 Ų | 198 | 125.3 Ų | 125.3 | 86% | 0.861 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | 120.7 | 172.4 | -69.5 | -171.1 | 176.1 | -177.3 | 0 | 109.4 | | |
| 153 | G | 85.1 | Confident | 84.5 | Confident | 53 Ų | 53 | 123.8 Ų | 123.8 | 55% | 0.546 | 62% | 0.617 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 112.6 | 13.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 117 | R151 R157 | R151-G153 PolarHBondContact O-N 3.48Å; G153-R157 VanDerWaalsContact C-CD 3.45Å; G153-R157 VanDerWaalsContact CA-CD 3.48Å; G153-R157 WeakPolarHBondContact O-CD 3.27Å; G153-R157 VanDerWaalsContact O-CG 3.29Å; G153-R157 WeakPolarHBondContact O-CG 3.31Å |
| 154 | G | 82.7 | Confident | 84.2 | Confident | 47 Ų | 47 | 119.9 Ų | 119.9 | 49% | 0.485 | 61% | 0.61 | S | S | . | * | | | trans | 81.8 | 177.2 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N156 | G154-N156 PolarHBondContact O-N 3.12Š|
| 155 | F | 81.1 | Confident | 83.9 | Confident | 192 Ų | 192 | 117.6 Ų | 117.6 | 84% | 0.842 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -33.9 | -165.4 | -170.3 | -107.3 | 0 | 0 | 0 | 113.9 | R157 | F155-R157 VanDerWaalsContact C-N 3.34Å; F155-R157 PolarHBondContact O-N 3.01Å |
| 156 | N | 83.6 | Confident | 83.6 | Confident | 158 Ų | 158 | 116.3 Ų | 116.3 | 85% | 0.845 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 14.2 | -173.5 | -69.9 | 4.9 | 0 | 0 | 0 | 115 | G154 | G154-N156 PolarHBondContact O-N 3.12Š|
| 157 | R | 87.2 | Confident | 83.2 | Confident | 153 Ų | 153 | 116.7 Ų | 116.7 | 58% | 0.577 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -92.3 | 155.5 | 174.2 | -75 | -177.8 | 80.6 | 90.8 | -4.5 | 112.1 | R151 G153 F155 | R151-R157 PolarHBondContact NH1-O 2.97Å; R151-R157 VanDerWaalsContact NH2-C 3.31Å; R151-R157 PolarHBondContact NH2-O 2.95Å; G153-R157 VanDerWaalsContact C-CD 3.45Å; G153-R157 VanDerWaalsContact CA-CD 3.48Å; G153-R157 WeakPolarHBondContact O-CD 3.27Å; G153-R157 VanDerWaalsContact O-CG 3.29Å; G153-R157 WeakPolarHBondContact O-CG 3.31Å; F155-R157 VanDerWaalsContact C-N 3.34Å; F155-R157 PolarHBondContact O-N 3.01Å |
| 158 | P | 86.9 | Confident | 82.9 | Confident | 101 Ų | 101 | 119 Ų | 119 | 66% | 0.656 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 135.4 | 171.4 | 25.8 | -33.8 | 0 | 0 | 0 | 111.3 | R151 | R151-P158 PolarHBondContact NH2-O 3.06Š|
| 159 | L | 84.7 | Confident | 82.7 | Confident | 18 Ų | 18 | 116.3 Ų | 116.3 | 9% | 0.094 | 64% | 0.635 | C | S | . | * | P | Polyproline II helix | trans | -67.3 | 135.4 | 179 | -49.8 | 170.2 | 0 | 0 | 0 | 110.8 | R146 Q147 Y148 R151 | R146-L159 HydrophobicContact CB-CB 3.67Å; R146-L159 HydrophobicContact CB-CD1 3.49Å; R146-L159 VanDerWaalsContact CB-CD1 3.49Å; R146-L159 HydrophobicContact CB-CG 4.21Å; R146-L159 HydrophobicContact CG-CB 4.19Å; R146-L159 HydrophobicContact CG-CD1 4.21Å; R146-L159 VanDerWaalsContact CZ-CG 3.4Å; R146-L159 VanDerWaalsContact NH2-N 3.15Å; Q147-L159 VanDerWaalsContact O-CD2 3.28Å; Q147-L159 WeakPolarHBondContact O-CD2 3.27Å; Y148-L159 HydrophobicContact CD1-CD1 3.72Å; Y148-L159 HydrophobicContact CD1-CD2 3.81Å; Y148-L159 HydrophobicContact CD2-CD1 4.1Å; Y148-L159 HydrophobicContact CE1-CD1 3.17Å; Y148-L159 HydrophobicContact CE1-CD2 4.02Å; Y148-L159 HydrophobicContact CE1-CG 4.27Å; Y148-L159 HydrophobicContact CE2-CD1 3.6Å; Y148-L159 HydrophobicContact CG-CD1 4.15Å; Y148-L159 HydrophobicContact CG-CD2 4.27Å; Y148-L159 WeakPolarHBondContact OH-CD1 3.08Å; R151-L159 VanDerWaalsContact NH2-CA 3.34Å |
| 160 | D | 82.9 | Confident | 82.3 | Confident | 83 Ų | 83 | 113.9 Ų | 113.9 | 44% | 0.444 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -70.4 | 143.2 | 175.8 | -56.3 | -38.8 | 0 | 0 | 0 | 110.1 | R146 Q147 I162 | R146-D160 CarbonylContact C-O 3.58Å; R146-D160 VanDerWaalsContact CA-O 3.31Å; R146-D160 WeakPolarHBondContact CA-O 3.47Å; Q147-D160 PolarHBondContact N-O 3.05Å; D160-I162 PolarHBondContact O-N 3.34Å |
| 161 | F | 78.1 | Confident | 82 | Confident | 136 Ų | 136 | 110.4 Ų | 110.4 | 60% | 0.596 | 61% | 0.61 | S | S | * | * | B | Isolated β-bridge | trans | -70.9 | 130.3 | 171.4 | -65.3 | -69.3 | 0 | 0 | 0 | 109.1 | K144 Y145 R146 A163 | K144-F161 HydrophobicContact CB-CD1 3.67Å; K144-F161 HydrophobicContact CB-CE1 3.8Å; K144-F161 HydrophobicContact CD-CD1 4.28Å; K144-F161 HydrophobicContact CD-CE1 4.06Å; K144-F161 HydrophobicContact CD-CZ 4.49Å; Y145-F161 VanDerWaalsContact O-CA 3.31Å; Y145-F161 WeakPolarHBondContact O-CA 3.48Å; R146-F161 HydrophobicContact CG-CD1 4.5Å; F161-A163 PolarHBondContact O-N 3.24Å |
| 162 | I | 74.6 | Confident | 81.3 | Confident | 89 Ų | 89 | 116.3 Ų | 116.3 | 46% | 0.456 | 65% | 0.649 | S | S | . | * | P | Polyproline II helix | trans | -73.7 | 118.9 | 172.9 | -60.4 | 168.7 | 0 | 0 | 0 | 106.5 | Y145 R146 Q147 D160 | Y145-I162 PolarHBondContact O-N 2.79Å; R146-I162 WeakPolarHBondContact O-CD1 3.29Å; Q147-I162 HydrophobicContact CB-CD1 4.26Å; Q147-I162 HydrophobicContact CB-CG1 3.78Å; D160-I162 PolarHBondContact O-N 3.34Å |
| 163 | A | 68.2 | Low | 81.4 | Confident | 167 Ų | 167 | 108.8 Ų | 108.8 | 100% | 1.38 | 63% | 0.629 | S | S | * | * | | | trans | -70.2 | 0 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F161 | F161-A163 PolarHBondContact O-N 3.24Š|