| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.5 | Very low | 35.6 | Very low | 250 Ų | 250 | 140.8 Ų | 140.8 | 100% | 1.232 | 83% | 0.829 | S | S | * | * | 0 | 92.4 | 0 | -74.3 | 162.9 | 166.7 | 0 | 0 | 105.7 | |||||
| 2 | G | 34.9 | Very low | 35.4 | Very low | 73 Ų | 73 | 144.4 Ų | 144.4 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | 76.3 | 88.8 | 86.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 3 | N | 32.1 | Very low | 35.2 | Very low | 156 Ų | 156 | 146.2 Ų | 146.2 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | 51.2 | 125.6 | 86.5 | -130.1 | 26.9 | 0 | 0 | 0 | 111.1 | |||||
| 4 | T | 40.2 | Very low | 34.7 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | 176.6 | 162.7 | 56.9 | 30.2 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 5 | G | 36.2 | Very low | 34.5 | Very low | 69 Ų | 69 | 137.5 Ų | 137.5 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | 143.3 | 74.4 | 149.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 6 | D | 35.5 | Very low | 34.3 | Very low | 130 Ų | 130 | 141.6 Ų | 141.6 | 70% | 0.695 | 81% | 0.81 | S | S | * | * | 57.6 | 107.1 | 97.1 | -81.5 | -32 | 0 | 0 | 0 | 114.9 | |||||
| 7 | R | 38.1 | Very low | 34.1 | Very low | 219 Ų | 219 | 138 Ų | 138 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | 80.3 | 114.7 | 80.7 | -83.9 | -172.7 | 176.9 | 151.6 | -3.6 | 114.8 | |||||
| 8 | M | 36.1 | Very low | 34 | Very low | 197 Ų | 197 | 139.1 Ų | 139.1 | 97% | 0.97 | 80% | 0.797 | S | S | * | * | trans | -151.1 | 119.6 | 134.9 | -107.3 | 129.3 | 176.7 | 0 | 0 | 110.4 | ||||
| 9 | S | 34.9 | Very low | 33.8 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | trans | -101.8 | 161 | 165.6 | -60.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 10 | G | 31.4 | Very low | 33.8 | Very low | 73 Ų | 73 | 141.8 Ų | 141.8 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | 139.4 | 71.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 11 | D | 30.6 | Very low | 33.6 | Very low | 133 Ų | 133 | 142.5 Ų | 142.5 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | 71.8 | 124.4 | 87.4 | -124.3 | 7.4 | 0 | 0 | 0 | 115.6 | |||||
| 12 | R | 33.9 | Very low | 33.3 | Very low | 184 Ų | 184 | 136.7 Ų | 136.7 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | trans | 99.2 | 129.3 | 130.4 | -85.3 | 167.6 | -167.1 | -141.8 | 6.9 | 124.3 | ||||
| 13 | H | 32.8 | Very low | 33.1 | Very low | 167 Ų | 167 | 145.4 Ų | 145.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 76.7 | 136.3 | 142.6 | -58.8 | -39.7 | 0 | 0 | 0 | 117.3 | ||||
| 14 | G | 27.4 | Very low | 33 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | cis | 154.7 | 161 | 5.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 15 | A | 31.5 | Very low | 32.6 | Very low | 92 Ų | 92 | 141.1 Ų | 141.1 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | trans | 75.9 | 116.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 16 | K | 31.4 | Very low | 32.4 | Very low | 204 Ų | 204 | 144.1 Ų | 144.1 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | 70.7 | 144 | 93.1 | -72.5 | -175 | 178.1 | -178.8 | 0 | 112.3 | |||||
| 17 | A | 31.5 | Very low | 32.3 | Very low | 80 Ų | 80 | 146.5 Ų | 146.5 | 66% | 0.661 | 80% | 0.795 | S | S | * | * | cis | 180 | -174.5 | -4.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 18 | H | 31.5 | Very low | 32 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 87.3 | 113.5 | 168.1 | -79.6 | -99.6 | 0 | 0 | 0 | 117.3 | ||||
| 19 | R | 30.7 | Very low | 31.8 | Very low | 224 Ų | 224 | 143 Ų | 143 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | 86.6 | 120.4 | 54.4 | -85 | -168.1 | 174.3 | 177.6 | -0.3 | 113.1 | |||||
| 20 | S | 33.3 | Very low | 31.8 | Very low | 108 Ų | 108 | 145.3 Ų | 145.3 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | 175.2 | 109.4 | 129.9 | 53.2 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 21 | D | 30.6 | Very low | 32.4 | Very low | 157 Ų | 157 | 146.3 Ų | 146.3 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | 77 | 119.6 | 89.2 | -89.4 | -22.7 | 0 | 0 | 0 | 114.5 | |||||
| 22 | S | 34.2 | Very low | 32.5 | Very low | 128 Ų | 128 | 146.2 Ų | 146.2 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -170.6 | 107.5 | 132.2 | -79.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 23 | R | 31.8 | Very low | 32.4 | Very low | 256 Ų | 256 | 146.3 Ų | 146.3 | 97% | 0.966 | 80% | 0.795 | S | S | * | * | trans | -13.1 | 149.1 | 154 | -71.4 | 167.1 | 166.8 | 177 | -5.2 | 122.4 | ||||
| 24 | G | 28.6 | Very low | 32.3 | Very low | 64 Ų | 64 | 146.5 Ų | 146.5 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | trans | 156.1 | 92 | 143.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 25 | S | 32.9 | Very low | 32.8 | Very low | 123 Ų | 123 | 150 Ų | 150 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | 53.8 | 129.7 | 94.5 | 69.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 26 | D | 31.4 | Very low | 32.8 | Very low | 133 Ų | 133 | 152.2 Ų | 152.2 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | cis | -176 | 163.7 | 12.7 | -176.2 | 20.7 | 0 | 0 | 0 | 108.1 | ||||
| 27 | K | 33 | Very low | 32.9 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | trans | 105.3 | 107.6 | 154.5 | -56.4 | -163.2 | 176.5 | 178.7 | 0 | 121.7 | ||||
| 28 | D | 33.1 | Very low | 33.1 | Very low | 148 Ų | 148 | 149 Ų | 149 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | trans | -55.5 | 147 | 158.8 | -56.2 | -60.1 | 0 | 0 | 0 | 115.1 | ||||
| 29 | H | 31.3 | Very low | 33.5 | Very low | 194 Ų | 194 | 148.6 Ų | 148.6 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | -159.5 | 122.8 | 126.5 | -108.9 | 49.2 | 0 | 0 | 0 | 110.7 | |||||
| 30 | E | 35.6 | Very low | 34.2 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -92.3 | 177.4 | 175.4 | -117.7 | -109.1 | 144.4 | 0 | 0 | 109.7 | ||||
| 31 | P | 44.2 | Very low | 34.8 | Very low | 94 Ų | 94 | 144.8 Ų | 144.8 | 61% | 0.61 | 79% | 0.794 | S | S | * | * | -114.4 | 179.4 | -114.7 | 33.3 | -13 | 0 | 0 | 0 | 113.1 | |||||
| 32 | S | 31.8 | Very low | 35.3 | Very low | 130 Ų | 130 | 144.7 Ų | 144.7 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -136 | 130 | 167.8 | -71.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 33 | K | 32.2 | Very low | 35.3 | Very low | 187 Ų | 187 | 147 Ų | 147 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -97.2 | 161.7 | -175.1 | -95.6 | 175.3 | 170.1 | 172.7 | 0 | 111.4 | ||||
| 34 | M | 31 | Very low | 35.3 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | trans | 81.2 | 136.1 | 163.7 | -43.7 | -166 | 176.8 | 0 | 0 | 113.9 | ||||
| 35 | V | 36.9 | Very low | 35.6 | Very low | 144 Ų | 144 | 146.7 Ų | 146.7 | 87% | 0.873 | 79% | 0.789 | S | S | * | * | cis | -156.7 | 149.5 | 45.5 | -155.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 36 | D | 31 | Very low | 35.6 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | -70.1 | 143.7 | 166.6 | 173.5 | 27.9 | 0 | 0 | 0 | 112.5 | ||||
| 37 | S | 34.3 | Very low | 35.8 | Very low | 102 Ų | 102 | 151.2 Ų | 151.2 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -180 | 112.5 | 144.9 | -80.3 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 38 | T | 36.7 | Very low | 35.6 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | 65.7 | 116.7 | 128.9 | 65 | 0 | 0 | 0 | 0 | 124 | |||||
| 39 | D | 38.3 | Very low | 35.5 | Very low | 149 Ų | 149 | 147.7 Ų | 147.7 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | 48.3 | 109.6 | 125.5 | -62.7 | -21.8 | 0 | 0 | 0 | 123 | |||||
| 40 | D | 45.4 | Very low | 35.4 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | 62 | 169.8 | 122.5 | -106.1 | 4.1 | 0 | 0 | 0 | 121.4 | |||||
| 41 | P | 47.3 | Very low | 35.2 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | -127 | 168.4 | -66.8 | 29.7 | -8.7 | 0 | 0 | 0 | 113.4 | |||||
| 42 | N | 40.9 | Very low | 34.6 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | 32.2 | 123.7 | 159.7 | -81 | -18.5 | 0 | 0 | 0 | 121.4 | ||||
| 43 | I | 33.7 | Very low | 34.7 | Very low | 176 Ų | 176 | 144 Ų | 144 | 90% | 0.903 | 81% | 0.81 | S | S | * | * | trans | -156.8 | 134.5 | 139 | -107 | 153.7 | 0 | 0 | 0 | 112.2 | ||||
| 44 | F | 32.9 | Very low | 34.8 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -70 | 152.7 | -179.5 | -98.8 | -105.3 | 0 | 0 | 0 | 114.5 | ||||
| 45 | N | 32.8 | Very low | 34.8 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | 59.5 | 123.1 | 150.1 | -77.8 | 7.8 | 0 | 0 | 0 | 120.8 | ||||
| 46 | T | 34 | Very low | 34.9 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | -176.8 | 146.6 | 108.9 | 27 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 47 | H | 36 | Very low | 35.2 | Very low | 205 Ų | 205 | 139.5 Ų | 139.5 | 95% | 0.949 | 81% | 0.806 | S | S | * | * | trans | -55.7 | 152 | 179.6 | -86.1 | -106.8 | 0 | 0 | 0 | 115.6 | ||||
| 48 | G | 28.5 | Very low | 35.7 | Very low | 66 Ų | 66 | 143.3 Ų | 143.3 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | 142.1 | 97.3 | 139.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 49 | L | 31.2 | Very low | 36.1 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 98% | 0.984 | 81% | 0.814 | S | S | * | * | trans | 49.4 | 125.1 | 148.4 | -77.3 | 92.4 | 0 | 0 | 0 | 121.6 | ||||
| 50 | G | 29 | Very low | 36.3 | Very low | 77 Ų | 77 | 143.2 Ų | 143.2 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 166.1 | 60 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 51 | S | 30.8 | Very low | 36.2 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 16.9 | 115 | 153.2 | -173.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 52 | S | 32.8 | Very low | 36.4 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | -154.6 | 123.8 | 125.4 | 45.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 53 | K | 32 | Very low | 36.9 | Very low | 206 Ų | 206 | 145.1 Ų | 145.1 | 90% | 0.896 | 81% | 0.813 | S | S | * | * | trans | -77.4 | 126.7 | -177.9 | -67.8 | 174.1 | 172.7 | 179.3 | 0 | 109.9 | ||||
| 54 | A | 34.7 | Very low | 37.7 | Very low | 98 Ų | 98 | 144.1 Ų | 144.1 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -126.7 | 112.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | D56 | A54-D56 PolarHBondContact O-N 3.02Š| ||
| 55 | S | 32.4 | Very low | 38.6 | Very low | 103 Ų | 103 | 143 Ų | 143 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -86.3 | 99.6 | -174.1 | 44.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 56 | D | 39 | Very low | 39.5 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -87.1 | 108 | 154.1 | -77.8 | -32.9 | 0 | 0 | 0 | 107 | A54 E58 | A54-D56 PolarHBondContact O-N 3.02Å; D56-E58 PolarHBondContact O-N 2.9Å | ||
| 57 | K | 37.6 | Very low | 40.1 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -77.3 | 96.9 | 168.5 | -70.3 | -176.8 | 176.9 | -175.7 | 0 | 106.7 | E59 | K57-E59 PolarHBondContact O-N 3.19Š| ||
| 58 | E | 44.1 | Very low | 40.5 | Very low | 183 Ų | 183 | 140.9 Ų | 140.9 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -65.8 | 111.3 | 151.8 | -71.9 | -179.7 | 163.9 | 0 | 0 | 105.9 | D56 P60 | D56-E58 PolarHBondContact O-N 2.9Å; E58-P60 WeakPolarHBondContact O-CD 3.39Å | ||
| 59 | E | 45.1 | Very low | 41.8 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 120.2 | 169 | -71.7 | -101.6 | 137.9 | 0 | 0 | 106.7 | K57 D61 | K57-E59 PolarHBondContact O-N 3.19Å; E59-D61 PolarHBondContact O-N 3.37Å |
| 60 | P | 43 | Very low | 43.1 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 131.4 | 171.4 | 26.6 | -30.5 | 0 | 0 | 0 | 107.9 | E58 L62 | E58-P60 WeakPolarHBondContact O-CD 3.39Å; P60-L62 PolarHBondContact O-N 2.83Å; P60-L62 VanDerWaalsContact O-N 3.12Å |
| 61 | D | 42.8 | Very low | 45.5 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 72% | 0.717 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 122.8 | 173 | -86.1 | -38.3 | 0 | 0 | 0 | 108.9 | E59 D63 D64 | E59-D61 PolarHBondContact O-N 3.37Å; D61-D63 PolarHBondContact O-N 2.94Å; D61-D64 PolarHBondContact O-N 3.13Å; D61-D64 VanDerWaalsContact O-N 3.16Å |
| 62 | L | 50.4 | Low | 48.2 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 0.8 | -174.6 | -81.3 | 158.3 | 0 | 0 | 0 | 113.8 | P60 | P60-L62 PolarHBondContact O-N 2.83Å; P60-L62 VanDerWaalsContact O-N 3.12Å |
| 63 | D | 52.5 | Low | 50.9 | Low | 155 Ų | 155 | 130 Ų | 130 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -16.2 | 178 | -69.2 | -30.9 | 0 | 0 | 0 | 113.4 | D61 L65 | D61-D63 PolarHBondContact O-N 2.94Å; D63-L65 VanDerWaalsContact C-N 3.34Å; D63-L65 PolarHBondContact O-N 3.01Å |
| 64 | D | 49.7 | Very low | 53.9 | Low | 155 Ų | 155 | 123.8 Ų | 123.8 | 83% | 0.829 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -88.1 | -0.5 | -176.1 | -109.4 | -14.1 | 0 | 0 | 0 | 114.3 | D61 | D61-D64 PolarHBondContact O-N 3.13Å; D61-D64 VanDerWaalsContact O-N 3.16Å |
| 65 | L | 51.7 | Low | 56.8 | Low | 159 Ų | 159 | 119.8 Ų | 119.8 | 83% | 0.832 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -112.7 | 58.8 | 179.7 | -152.8 | 80.4 | 0 | 0 | 0 | 111.3 | D63 | D63-L65 VanDerWaalsContact C-N 3.34Å; D63-L65 PolarHBondContact O-N 3.01Å |
| 66 | V | 51.6 | Low | 59.8 | Low | 122 Ų | 122 | 119.4 Ų | 119.4 | 74% | 0.739 | 65% | 0.65 | S | S | * | * | trans | -176.5 | 106.8 | 151.1 | 152.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 67 | K | 47.8 | Very low | 62.6 | Low | 151 Ų | 151 | 112 Ų | 112 | 66% | 0.657 | 61% | 0.61 | S | S | * | * | trans | 171.2 | 79.3 | 132 | -93.5 | 167.9 | -173.3 | 179.6 | 0 | 110.6 | G69 | K67-G69 PolarHBondContact O-N 3.2Å; K67-G69 VanDerWaalsContact O-N 3.12Å | ||
| 68 | T | 44.8 | Very low | 65.4 | Low | 165 Ų | 165 | 110 Ų | 110 | 100% | 1.012 | 60% | 0.597 | S | S | * | * | trans | -81.7 | 46.8 | 158.6 | 48.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 69 | G | 54.3 | Low | 67.9 | Low | 39 Ų | 39 | 102.6 Ų | 102.6 | 40% | 0.402 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -125.4 | 159.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | K67 Q71 | K67-G69 PolarHBondContact O-N 3.2Å; K67-G69 VanDerWaalsContact O-N 3.12Å; G69-Q71 PolarHBondContact O-N 2.87Å |
| 70 | P | 59.9 | Low | 70.3 | Confident | 117 Ų | 117 | 98.3 Ų | 98.3 | 76% | 0.76 | 55% | 0.552 | S | S | * | * | trans | -54.5 | 107.7 | 172.9 | 22.1 | -30.4 | 0 | 0 | 0 | 108.1 | S72 P115 | P70-S72 PolarHBondContact O-N 2.85Å; P70-S72 VanDerWaalsContact O-N 3.07Å; P70-P115 HydrophobicContact CB-CB 4.41Å | ||
| 71 | Q | 78.7 | Confident | 72.6 | Confident | 103 Ų | 103 | 94.4 Ų | 94.4 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | trans | -75.1 | 103.4 | -175.8 | -174.5 | 177.7 | 3.9 | 0 | 0 | 106.6 | G69 R73 | G69-Q71 PolarHBondContact O-N 2.87Å; Q71-R73 WeakPolarHBondContact O-CG 3.24Å | ||
| 72 | S | 88.3 | Confident | 74.9 | Confident | 59 Ų | 59 | 91 Ų | 91 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | trans | -65.9 | 143.3 | 168 | -60.7 | 0 | 0 | 0 | 0 | 109.9 | P70 L114 | P70-S72 PolarHBondContact O-N 2.85Å; P70-S72 VanDerWaalsContact O-N 3.07Å; S72-L114 CarbonylContact C-O 3.53Å; S72-L114 WeakPolarHBondContact CA-O 3.36Å | ||
| 73 | R | 88.5 | Confident | 76.8 | Confident | 19 Ų | 19 | 84.2 Ų | 84.2 | 7% | 0.072 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 145 | -171.4 | -56 | 179.6 | 168.2 | -153.2 | -23.5 | 111.8 | Q71 T75 D113 L114 Q153 F156 | Q71-R73 WeakPolarHBondContact O-CG 3.24Å; R73-T75 PolarHBondContact O-N 2.8Å; R73-T75 VanDerWaalsContact O-N 3.11Å; R73-T75 PolarHBondContact O-OG1 2.92Å; R73-D113 WeakPolarHBondContact O-CA 3.49Å; R73-L114 PolarHBondContact N-O 3.15Å; R73-L114 PolarHBondContact O-N 3.35Å; R73-Q153 VanDerWaalsContact NH1-CA 3.33Å; R73-Q153 PolarHBondContact NH1-O 2.93Å; R73-F156 HydrophobicContact CB-CD1 3.91Å; R73-F156 HydrophobicContact CB-CD2 4.39Å; R73-F156 HydrophobicContact CB-CE1 3.28Å; R73-F156 HydrophobicContact CB-CE2 3.78Å; R73-F156 HydrophobicContact CB-CG 4.42Å; R73-F156 HydrophobicContact CB-CZ 3.18Å; R73-F156 HydrophobicContact CG-CD1 4.42Å; R73-F156 HydrophobicContact CG-CD2 4.45Å; R73-F156 HydrophobicContact CG-CE1 4.21Å; R73-F156 HydrophobicContact CG-CE2 4.16Å; R73-F156 HydrophobicContact CG-CZ 4.04Å |
| 74 | P | 94.9 | Very high | 78.7 | Confident | 77 Ų | 77 | 85.3 Ų | 85.3 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 113.7 | -173.5 | 26.7 | -34.8 | 0 | 0 | 0 | 110.5 | I111 D113 F156 | P74-I111 HydrophobicContact CB-CG2 3.88Å; P74-D113 WeakPolarHBondContact CA-OD1 3.28Å; P74-F156 HydrophobicContact CG-CE1 4.39Å; P74-F156 WeakPolarHBondContact O-CE1 3.19Å |
| 75 | T | 95.9 | Very high | 80.9 | Confident | 14 Ų | 14 | 83.6 Ų | 83.6 | 9% | 0.086 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.5 | -179.4 | -53.5 | 0 | 0 | 0 | 0 | 109.1 | R73 I111 L112 L114 I149 V151 | R73-T75 PolarHBondContact O-N 2.8Å; R73-T75 VanDerWaalsContact O-N 3.11Å; R73-T75 PolarHBondContact O-OG1 2.92Å; T75-I111 WeakPolarHBondContact O-CA 3.43Å; T75-L112 PolarHBondContact N-O 2.74Å; T75-L112 PolarHBondContact O-N 3.02Å; T75-L114 HydrophobicContact CG2-CD1 4.07Å; T75-I149 HydrophobicContact CG2-CD1 3.44Å; T75-I149 VanDerWaalsContact CG2-CD1 3.44Å; T75-I149 HydrophobicContact CG2-CG1 4.46Å; T75-V151 HydrophobicContact CG2-CG2 4.18Å |
| 76 | V | 96.2 | Very high | 83.1 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 58% | 0.576 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 124.1 | 179.3 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | V109 I111 | V76-V109 HydrophobicContact CG1-CG1 3.83Å; V76-I111 HydrophobicContact CG2-CG1 4.35Å |
| 77 | I | 96.6 | Very high | 85.3 | Confident | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.7 | 171.2 | -54.1 | 176.6 | 0 | 0 | 0 | 108.4 | I88 V109 A110 L112 Y121 F123 | I77-I88 HydrophobicContact CB-CD1 4.21Å; I77-I88 HydrophobicContact CD1-CD1 3.59Å; I77-I88 HydrophobicContact CG1-CD1 4.49Å; I77-I88 HydrophobicContact CG2-CD1 3.57Å; I77-V109 WeakPolarHBondContact O-CA 3.14Å; I77-A110 PolarHBondContact N-O 3.22Å; I77-A110 PolarHBondContact O-N 2.92Å; I77-L112 HydrophobicContact CD1-CD1 3.83Å; I77-Y121 HydrophobicContact CG2-CD2 4.37Å; I77-Y121 HydrophobicContact CG2-CE2 3.94Å; I77-F123 HydrophobicContact CG2-CE1 4.07Å; I77-F123 HydrophobicContact CG2-CZ 3.77Å |
| 78 | R | 96.6 | Very high | 87.7 | Confident | 141 Ų | 141 | 66.3 Ų | 66.3 | 53% | 0.532 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 142.4 | -175.8 | 179.6 | 173.8 | 62 | -178.4 | -3.3 | 110.5 | D107 F108 V109 | R78-D107 WeakPolarHBondContact CD-OD2 3.3Å; R78-D107 HydrophobicContact CG-CB 4.06Å; R78-D107 IonicContact NH1-OD2 3.78Å; R78-F108 CarbonylContact C-O 3.53Å; R78-F108 WeakPolarHBondContact CA-O 3.26Å; R78-V109 HydrophobicContact CB-CG2 4.38Å; R78-V109 HydrophobicContact CG-CG2 4.11Å |
| 79 | W | 97.1 | Very high | 90.2 | Very high | 28 Ų | 28 | 58.4 Ų | 58.4 | 11% | 0.106 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 110.6 | 167.2 | 171.8 | -100.2 | 0 | 0 | 0 | 108.3 | G81 G82 V86 L101 F108 F123 V125 V130 D132 | W79-G81 VanDerWaalsContact C-N 3.31Å; W79-G81 VanDerWaalsContact NE1-C 3.29Å; W79-G81 PolarHBondContact NE1-O 2.94Å; W79-G82 PolarHBondContact NE1-O 2.99Å; W79-G82 VanDerWaalsContact NE1-O 3.13Å; W79-V86 HydrophobicContact CB-CG1 4.36Å; W79-V86 HydrophobicContact CG-CG1 4.18Å; W79-L101 HydrophobicContact CB-CD2 4.14Å; W79-F108 HydrophobicContact CB-CB 4.15Å; W79-F108 AromaticContact CD1-CD2 3.9Å; W79-F108 PolarHBondContact N-O 2.86Å; W79-F108 PolarHBondContact O-N 3.09Å; W79-F123 HydrophobicContact CB-CD1 4.11Å; W79-F123 HydrophobicContact CB-CE1 3.79Å; W79-F123 HydrophobicContact CB-CZ 4.05Å; W79-F123 HydrophobicContact CD2-CD2 4.36Å; W79-F123 HydrophobicContact CD2-CG 4.31Å; W79-F123 HydrophobicContact CE3-CB 4.37Å; W79-F123 HydrophobicContact CE3-CD1 4.37Å; W79-F123 AromaticContact CE3-CD2 3.45Å; W79-F123 HydrophobicContact CE3-CD2 3.45Å; W79-F123 VanDerWaalsContact CE3-CD2 3.45Å; W79-F123 AromaticContact CE3-CE2 3.69Å; W79-F123 HydrophobicContact CE3-CE2 3.69Å; W79-F123 AromaticContact CE3-CG 3.81Å; W79-F123 HydrophobicContact CE3-CG 3.81Å; W79-F123 HydrophobicContact CE3-CZ 4.25Å; W79-F123 AromaticContact CZ3-CD2 3.83Å; W79-F123 HydrophobicContact CZ3-CD2 3.83Å; W79-F123 HydrophobicContact CZ3-CE2 4.32Å; W79-F123 HydrophobicContact CZ3-CG 4.35Å; W79-V125 HydrophobicContact CD2-CG2 4.43Å; W79-V125 HydrophobicContact CZ2-CG2 3.9Å; W79-V130 HydrophobicContact CH2-CB 4.37Å; W79-V130 HydrophobicContact CH2-CG2 3.61Å; W79-V130 HydrophobicContact CZ2-CG2 4Å; W79-V130 HydrophobicContact CZ3-CG2 4.17Å; W79-D132 HydrophobicContact CE3-CB 4.24Å; W79-D132 HydrophobicContact CZ3-CB 4.08Å |
| 80 | A | 94.8 | Very high | 92.2 | Very high | 63 Ų | 63 | 56.6 Ų | 56.6 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | trans | -87.2 | -2.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 81 | G | 91.3 | Very high | 93.9 | Very high | 25 Ų | 25 | 53 Ų | 53 | 26% | 0.258 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -74.1 | 167.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113 | W79 | W79-G81 VanDerWaalsContact C-N 3.31Å; W79-G81 VanDerWaalsContact NE1-C 3.29Å; W79-G81 PolarHBondContact NE1-O 2.94Å |
| 82 | G | 90.9 | Very high | 94.6 | Very high | 62 Ų | 62 | 50.6 Ų | 50.6 | 64% | 0.639 | 29% | 0.286 | S | S | * | . | trans | -68.5 | 169.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | W79 V125 | W79-G82 PolarHBondContact NE1-O 2.99Å; W79-G82 VanDerWaalsContact NE1-O 3.13Å; G82-V125 WeakPolarHBondContact O-CG1 3.42Å | ||
| 83 | G | 91.7 | Very high | 94.9 | Very high | 16 Ų | 16 | 49.4 Ų | 49.4 | 17% | 0.165 | 28% | 0.275 | C | S | . | . | trans | 158.2 | 159.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | K103 F108 D126 | G83-K103 PolarHBondContact O-NZ 2.79Å; G83-F108 VanDerWaalsContact O-CZ 3.32Å; G83-F108 WeakPolarHBondContact O-CZ 3.43Å; G83-D126 WeakPolarHBondContact CA-OD2 3.5Å | ||
| 84 | K | 92.6 | Very high | 95.1 | Very high | 178 Ų | 178 | 55.6 Ų | 55.6 | 77% | 0.774 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -95.5 | -49.9 | 166.3 | -64.3 | -179.5 | -178.1 | 176.3 | 0 | 110.4 | D126 | K84-D126 WeakPolarHBondContact CA-OD1 3.32Å; K84-D126 WeakPolarHBondContact CB-OD1 3.36Å; K84-D126 PolarHBondContact N-OD1 3.46Å; K84-D126 PolarHBondContact N-OD2 2.94Å |
| 85 | E | 94.9 | Very high | 95.1 | Very high | 119 Ų | 119 | 56.9 Ų | 56.9 | 56% | 0.556 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -124 | 118.5 | 179.4 | -61.5 | -175.6 | 130.6 | 0 | 0 | 109.3 | Y87 D126 | E85-Y87 HydrophobicContact CB-CE2 3.83Å; E85-D126 PolarHBondContact N-OD1 2.81Å; E85-D126 PolarHBondContact O-N 3.48Å |
| 86 | V | 97.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.4 | -178.2 | -177.7 | 0 | 0 | 0 | 0 | 108.7 | W79 L101 F108 F123 V125 | W79-V86 HydrophobicContact CB-CG1 4.36Å; W79-V86 HydrophobicContact CG-CG1 4.18Å; V86-L101 HydrophobicContact CB-CB 4.43Å; V86-L101 HydrophobicContact CG1-CB 4.37Å; V86-L101 HydrophobicContact CG1-CD1 4.35Å; V86-L101 HydrophobicContact CG1-CD2 3.94Å; V86-L101 HydrophobicContact CG1-CG 4.44Å; V86-L101 PolarHBondContact O-N 2.83Å; V86-F108 HydrophobicContact CB-CB 4.2Å; V86-F108 HydrophobicContact CB-CD1 3.63Å; V86-F108 HydrophobicContact CB-CD2 4.43Å; V86-F108 HydrophobicContact CB-CE1 3.99Å; V86-F108 HydrophobicContact CB-CG 3.85Å; V86-F108 HydrophobicContact CG1-CB 4.24Å; V86-F108 HydrophobicContact CG1-CG 4.37Å; V86-F108 HydrophobicContact CG2-CB 4.41Å; V86-F108 HydrophobicContact CG2-CD1 3.63Å; V86-F108 HydrophobicContact CG2-CD2 3.76Å; V86-F108 HydrophobicContact CG2-CE1 3.62Å; V86-F108 HydrophobicContact CG2-CE2 3.76Å; V86-F108 HydrophobicContact CG2-CG 3.68Å; V86-F108 HydrophobicContact CG2-CZ 3.67Å; V86-F123 HydrophobicContact CG1-CD1 4.24Å; V86-V125 HydrophobicContact CG1-CG2 4.01Å; V86-V125 HydrophobicContact CG2-CG1 4.22Å; V86-V125 HydrophobicContact CG2-CG2 4.17Å |
| 87 | Y | 98 | Very high | 94.8 | Very high | 64 Ų | 64 | 60.6 Ų | 60.6 | 25% | 0.251 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 163.7 | 175.1 | -50.9 | -101 | 0 | 0 | 0 | 110.9 | E85 K98 I99 P100 F123 F124 | E85-Y87 HydrophobicContact CB-CE2 3.83Å; Y87-K98 HydrophobicContact CD1-CB 3.91Å; Y87-K98 HydrophobicContact CG-CB 3.98Å; Y87-I99 CarbonylContact C-O 3.57Å; Y87-I99 WeakPolarHBondContact CA-O 3.35Å; Y87-I99 WeakPolarHBondContact CB-O 3.43Å; Y87-P100 HydrophobicContact CD1-CB 3.89Å; Y87-P100 HydrophobicContact CE1-CB 3.89Å; Y87-F123 CarbonylContact O-C 3.55Å; Y87-F123 VanDerWaalsContact O-CA 3.32Å; Y87-F123 WeakPolarHBondContact O-CA 3.38Å; Y87-F124 HydrophobicContact CD2-CD1 4Å; Y87-F124 PolarHBondContact N-O 2.87Å; Y87-F124 PolarHBondContact O-N 3.06Å |
| 88 | I | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 145.5 | 173.2 | -171.5 | 170.9 | 0 | 0 | 0 | 111 | I77 F92 I99 L101 Y121 F123 | I77-I88 HydrophobicContact CB-CD1 4.21Å; I77-I88 HydrophobicContact CD1-CD1 3.59Å; I77-I88 HydrophobicContact CG1-CD1 4.49Å; I77-I88 HydrophobicContact CG2-CD1 3.57Å; I88-F92 HydrophobicContact CD1-CZ 4.35Å; I88-F92 HydrophobicContact CG1-CZ 4.29Å; I88-I99 HydrophobicContact CG2-CB 3.9Å; I88-I99 HydrophobicContact CG2-CG2 4.49Å; I88-I99 PolarHBondContact N-O 2.85Å; I88-I99 PolarHBondContact O-N 2.82Å; I88-L101 HydrophobicContact CB-CD1 3.73Å; I88-L101 HydrophobicContact CG2-CD1 3.55Å; I88-Y121 HydrophobicContact CD1-CD2 3.57Å; I88-Y121 HydrophobicContact CD1-CE2 4.33Å; I88-Y121 HydrophobicContact CD1-CG 4.07Å; I88-Y121 HydrophobicContact CG1-CD2 4.17Å; I88-F123 HydrophobicContact CB-CD1 4.37Å; I88-F123 HydrophobicContact CD1-CE1 4.16Å |
| 89 | A | 97.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 155.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | W95 Y121 K122 W129 | A89-W95 HydrophobicContact CB-CE3 4.41Å; A89-Y121 CarbonylContact O-C 3.56Å; A89-Y121 WeakPolarHBondContact O-CA 3.32Å; A89-K122 PolarHBondContact N-O 3.05Å; A89-K122 VanDerWaalsContact N-O 3.13Å; A89-K122 PolarHBondContact O-N 2.97Å; A89-W129 HydrophobicContact CB-CH2 3.85Å; A89-W129 HydrophobicContact CB-CZ3 4.2Å |
| 90 | G | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | -172.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | F92 N93 N94 W95 Q120 | G90-F92 PolarHBondContact O-N 2.85Å; G90-N93 PolarHBondContact N-OD1 2.98Å; G90-N93 PolarHBondContact O-N 2.8Å; G90-N93 PolarHBondContact O-OD1 3.13Å; G90-N94 PolarHBondContact O-N 2.9Å; G90-W95 PolarHBondContact O-N 3.5Å; G90-Q120 CarbonylContact C-O 3.59Å; G90-Q120 WeakPolarHBondContact CA-O 3.34Å |
| 91 | S | 95.2 | Very high | 94.9 | Very high | 41 Ų | 41 | 60.4 Ų | 60.4 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -57.2 | -38.1 | 178 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | N93 N94 H119 Q120 | S91-N93 PolarHBondContact O-N 2.9Å; S91-N93 VanDerWaalsContact O-N 3.15Å; S91-N94 PolarHBondContact O-N 2.86Å; S91-H119 WeakPolarHBondContact OG-CA 3.37Å; S91-Q120 PolarHBondContact N-O 3.31Å; S91-Q120 PolarHBondContact OG-N 2.82Å; S91-Q120 VanDerWaalsContact OG-N 3.11Å; S91-Q120 PolarHBondContact OG-O 2.86Å |
| 92 | F | 94.1 | Very high | 95.2 | Very high | 54 Ų | 54 | 65.3 Ų | 65.3 | 24% | 0.237 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -62.6 | -20.1 | -178.8 | 54.5 | -101 | 0 | 0 | 0 | 114.6 | I88 G90 I99 L112 L114 H119 | I88-F92 HydrophobicContact CD1-CZ 4.35Å; I88-F92 HydrophobicContact CG1-CZ 4.29Å; G90-F92 PolarHBondContact O-N 2.85Å; F92-I99 HydrophobicContact CE2-CD1 3.83Å; F92-L112 HydrophobicContact CD2-CD1 4.22Å; F92-L112 HydrophobicContact CE1-CD1 4.14Å; F92-L112 HydrophobicContact CE2-CD1 3.54Å; F92-L112 HydrophobicContact CZ-CD1 3.49Å; F92-L112 VanDerWaalsContact CZ-CD1 3.49Å; F92-L114 HydrophobicContact CB-CD2 3.52Å; F92-L114 HydrophobicContact CD1-CD1 4.5Å; F92-L114 HydrophobicContact CD1-CD2 3.73Å; F92-L114 HydrophobicContact CD2-CD2 4.27Å; F92-L114 HydrophobicContact CG-CD2 3.57Å; F92-H119 HydrophobicContact CD1-CB 4.45Å |
| 93 | N | 93.6 | Very high | 95.4 | Very high | 34 Ų | 34 | 68.7 Ų | 68.7 | 18% | 0.182 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -121.9 | 24 | 174.1 | 73.9 | -4.3 | 0 | 0 | 0 | 112.7 | G90 S91 W95 G96 N97 | G90-N93 PolarHBondContact N-OD1 2.98Å; G90-N93 PolarHBondContact O-N 2.8Å; G90-N93 PolarHBondContact O-OD1 3.13Å; S91-N93 PolarHBondContact O-N 2.9Å; S91-N93 VanDerWaalsContact O-N 3.15Å; N93-W95 PolarHBondContact O-N 2.86Å; N93-W95 VanDerWaalsContact O-N 3.15Å; N93-W95 PolarHBondContact OD1-N 2.75Å; N93-G96 PolarHBondContact O-N 3.47Å; N93-N97 PolarHBondContact ND2-O 3.48Å |
| 94 | N | 94.3 | Very high | 95.3 | Very high | 149 Ų | 149 | 71.1 Ų | 71.1 | 80% | 0.797 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 32.6 | -178.8 | -61.9 | -42.5 | 0 | 0 | 0 | 113.6 | G90 S91 G96 | G90-N94 PolarHBondContact O-N 2.9Å; S91-N94 PolarHBondContact O-N 2.86Å; N94-G96 PolarHBondContact O-N 2.86Å |
| 95 | W | 93.8 | Very high | 94.9 | Very high | 104 Ų | 104 | 71.2 Ų | 71.2 | 39% | 0.394 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 23.2 | -175.5 | -58.4 | 89.9 | 0 | 0 | 0 | 113.9 | A89 G90 N93 Q120 K122 N146 | A89-W95 HydrophobicContact CB-CE3 4.41Å; G90-W95 PolarHBondContact O-N 3.5Å; N93-W95 PolarHBondContact O-N 2.86Å; N93-W95 VanDerWaalsContact O-N 3.15Å; N93-W95 PolarHBondContact OD1-N 2.75Å; W95-Q120 HydrophobicContact CZ2-CB 3.89Å; W95-K122 HydrophobicContact CH2-CB 4.19Å; W95-K122 HydrophobicContact CZ3-CB 3.79Å; W95-N146 HydrophobicContact CH2-CB 4.12Å; W95-N146 VanDerWaalsContact CH2-CG 3.45Å; W95-N146 WeakPolarHBondContact CH2-ND2 3.17Å; W95-N146 WeakPolarHBondContact CZ2-ND2 3.47Å |
| 96 | G | 92.1 | Very high | 94.6 | Very high | 49 Ų | 49 | 71.9 Ų | 71.9 | 51% | 0.505 | 38% | 0.378 | S | S | . | . | trans | -80.7 | -100.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N93 N94 | N93-G96 PolarHBondContact O-N 3.47Å; N94-G96 PolarHBondContact O-N 2.86Å | ||
| 97 | N | 93.3 | Very high | 94.4 | Very high | 138 Ų | 138 | 73.7 Ų | 73.7 | 74% | 0.738 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -73.5 | 144.5 | -176.1 | -65.7 | -25.9 | 0 | 0 | 0 | 111.6 | N93 I99 | N93-N97 PolarHBondContact ND2-O 3.48Å; N97-I99 PolarHBondContact O-N 3.41Å |
| 98 | K | 96.1 | Very high | 94.4 | Very high | 85 Ų | 85 | 71 Ų | 71 | 37% | 0.37 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 116.6 | 171.8 | -69.9 | -178.4 | -172.1 | 175.1 | 0 | 109.4 | Y87 F124 | Y87-K98 HydrophobicContact CD1-CB 3.91Å; Y87-K98 HydrophobicContact CG-CB 3.98Å; K98-F124 HydrophobicContact CD-CB 4.2Å; K98-F124 HydrophobicContact CD-CD1 3.83Å; K98-F124 HydrophobicContact CD-CE1 4.36Å; K98-F124 HydrophobicContact CD-CG 3.97Å; K98-F124 VanDerWaalsContact NZ-CD1 3.25Å |
| 99 | I | 97.4 | Very high | 94.3 | Very high | 49 Ų | 49 | 73 Ų | 73 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 121.6 | 177.5 | -55.1 | 177.9 | 0 | 0 | 0 | 107.9 | Y87 I88 F92 N97 L112 | Y87-I99 CarbonylContact C-O 3.57Å; Y87-I99 WeakPolarHBondContact CA-O 3.35Å; Y87-I99 WeakPolarHBondContact CB-O 3.43Å; I88-I99 HydrophobicContact CG2-CB 3.9Å; I88-I99 HydrophobicContact CG2-CG2 4.49Å; I88-I99 PolarHBondContact N-O 2.85Å; I88-I99 PolarHBondContact O-N 2.82Å; F92-I99 HydrophobicContact CE2-CD1 3.83Å; N97-I99 PolarHBondContact O-N 3.41Å; I99-L112 HydrophobicContact CD1-CD1 4.3Å; I99-L112 HydrophobicContact CD1-CD2 4Å; I99-L112 HydrophobicContact CG2-CD2 4.36Å |
| 100 | P | 97.1 | Very high | 94.3 | Very high | 83 Ų | 83 | 73.5 Ų | 73.5 | 54% | 0.539 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 139 | 178.9 | 28.6 | -33.6 | 0 | 0 | 0 | 111.1 | Y87 | Y87-P100 HydrophobicContact CD1-CB 3.89Å; Y87-P100 HydrophobicContact CE1-CB 3.89Å |
| 101 | L | 97.7 | Very high | 94.3 | Very high | 14 Ų | 14 | 79 Ų | 79 | 7% | 0.073 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -89.7 | 144 | 172.3 | -81.4 | 68.8 | 0 | 0 | 0 | 110.5 | W79 V86 I88 F108 A110 F123 | W79-L101 HydrophobicContact CB-CD2 4.14Å; V86-L101 HydrophobicContact CB-CB 4.43Å; V86-L101 HydrophobicContact CG1-CB 4.37Å; V86-L101 HydrophobicContact CG1-CD1 4.35Å; V86-L101 HydrophobicContact CG1-CD2 3.94Å; V86-L101 HydrophobicContact CG1-CG 4.44Å; V86-L101 PolarHBondContact O-N 2.83Å; I88-L101 HydrophobicContact CB-CD1 3.73Å; I88-L101 HydrophobicContact CG2-CD1 3.55Å; L101-F108 HydrophobicContact CB-CB 3.8Å; L101-F108 HydrophobicContact CB-CD1 4.33Å; L101-F108 HydrophobicContact CD2-CB 3.8Å; L101-F108 HydrophobicContact CG-CB 4.45Å; L101-A110 HydrophobicContact CG-CB 4.1Å; L101-F123 HydrophobicContact CD2-CD1 4.22Å; L101-F123 HydrophobicContact CD2-CE1 3.81Å |
| 102 | N | 96.3 | Very high | 94.3 | Very high | 128 Ų | 128 | 78.1 Ų | 78.1 | 68% | 0.684 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 124.3 | 174.5 | -68.5 | -50.7 | 0 | 0 | 0 | 109.9 | F108 V109 | N102-F108 CarbonylContact O-C 3.55Å; N102-F108 WeakPolarHBondContact O-CA 3.3Å; N102-V109 PolarHBondContact N-O 2.87Å; N102-V109 PolarHBondContact O-N 3Å |
| 103 | K | 95.1 | Very high | 94.3 | Very high | 134 Ų | 134 | 80.9 Ų | 80.9 | 58% | 0.583 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 122.9 | 178.1 | -172.9 | 170.5 | -173.7 | 166.1 | 0 | 110.9 | G83 F108 | G83-K103 PolarHBondContact O-NZ 2.79Å; K103-F108 HydrophobicContact CB-CD1 3.83Å; K103-F108 HydrophobicContact CB-CE1 3.57Å; K103-F108 HydrophobicContact CB-CZ 4.19Å; K103-F108 HydrophobicContact CD-CE1 3.72Å; K103-F108 HydrophobicContact CD-CE2 4.34Å; K103-F108 HydrophobicContact CD-CZ 3.52Å; K103-F108 HydrophobicContact CG-CD1 4.17Å; K103-F108 HydrophobicContact CG-CE1 3.67Å; K103-F108 HydrophobicContact CG-CE2 4.29Å; K103-F108 HydrophobicContact CG-CZ 3.74Å |
| 104 | S | 89.8 | Confident | 94.4 | Very high | 67 Ų | 67 | 79.3 Ų | 79.3 | 47% | 0.469 | 42% | 0.422 | S | S | . | . | trans | -95.8 | -165.5 | 164.2 | -171.2 | 0 | 0 | 0 | 0 | 110 | D107 | S104-D107 WeakPolarHBondContact CA-O 3.43Å; S104-D107 WeakPolarHBondContact CB-O 3.47Å; S104-D107 PolarHBondContact N-O 2.85Å | ||
| 105 | H | 85.8 | Confident | 94.4 | Very high | 180 Ų | 180 | 74.2 Ų | 74.2 | 83% | 0.833 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -64.5 | -48.2 | 179.9 | -66.6 | 83.1 | 0 | 0 | 0 | 112 | ||
| 106 | N | 88.1 | Confident | 94.4 | Very high | 133 Ų | 133 | 74.7 Ų | 74.7 | 71% | 0.711 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -116.3 | -19.6 | -178.8 | -72 | -3.4 | 0 | 0 | 0 | 113.8 | ||
| 107 | D | 93.8 | Very high | 94.5 | Very high | 42 Ų | 42 | 73.8 Ų | 73.8 | 23% | 0.225 | 39% | 0.393 | C | S | . | . | trans | -122.1 | 154.9 | -168.9 | -58.4 | -21.2 | 0 | 0 | 0 | 111.4 | R78 S104 V109 | R78-D107 WeakPolarHBondContact CD-OD2 3.3Å; R78-D107 HydrophobicContact CG-CB 4.06Å; R78-D107 IonicContact NH1-OD2 3.78Å; S104-D107 WeakPolarHBondContact CA-O 3.43Å; S104-D107 WeakPolarHBondContact CB-O 3.47Å; S104-D107 PolarHBondContact N-O 2.85Å; D107-V109 HydrophobicContact CB-CG2 4.21Å | ||
| 108 | F | 97.3 | Very high | 94.6 | Very high | 8 Ų | 8 | 73.4 Ų | 73.4 | 4% | 0.035 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132.2 | 164.6 | -70.9 | -98.7 | 0 | 0 | 0 | 108.5 | R78 W79 G83 V86 L101 N102 K103 | R78-F108 CarbonylContact C-O 3.53Å; R78-F108 WeakPolarHBondContact CA-O 3.26Å; W79-F108 HydrophobicContact CB-CB 4.15Å; W79-F108 AromaticContact CD1-CD2 3.9Å; W79-F108 PolarHBondContact N-O 2.86Å; W79-F108 PolarHBondContact O-N 3.09Å; G83-F108 VanDerWaalsContact O-CZ 3.32Å; G83-F108 WeakPolarHBondContact O-CZ 3.43Å; V86-F108 HydrophobicContact CB-CB 4.2Å; V86-F108 HydrophobicContact CB-CD1 3.63Å; V86-F108 HydrophobicContact CB-CD2 4.43Å; V86-F108 HydrophobicContact CB-CE1 3.99Å; V86-F108 HydrophobicContact CB-CG 3.85Å; V86-F108 HydrophobicContact CG1-CB 4.24Å; V86-F108 HydrophobicContact CG1-CG 4.37Å; V86-F108 HydrophobicContact CG2-CB 4.41Å; V86-F108 HydrophobicContact CG2-CD1 3.63Å; V86-F108 HydrophobicContact CG2-CD2 3.76Å; V86-F108 HydrophobicContact CG2-CE1 3.62Å; V86-F108 HydrophobicContact CG2-CE2 3.76Å; V86-F108 HydrophobicContact CG2-CG 3.68Å; V86-F108 HydrophobicContact CG2-CZ 3.67Å; L101-F108 HydrophobicContact CB-CB 3.8Å; L101-F108 HydrophobicContact CB-CD1 4.33Å; L101-F108 HydrophobicContact CD2-CB 3.8Å; L101-F108 HydrophobicContact CG-CB 4.45Å; N102-F108 CarbonylContact O-C 3.55Å; N102-F108 WeakPolarHBondContact O-CA 3.3Å; K103-F108 HydrophobicContact CB-CD1 3.83Å; K103-F108 HydrophobicContact CB-CE1 3.57Å; K103-F108 HydrophobicContact CB-CZ 4.19Å; K103-F108 HydrophobicContact CD-CE1 3.72Å; K103-F108 HydrophobicContact CD-CE2 4.34Å; K103-F108 HydrophobicContact CD-CZ 3.52Å; K103-F108 HydrophobicContact CG-CD1 4.17Å; K103-F108 HydrophobicContact CG-CE1 3.67Å; K103-F108 HydrophobicContact CG-CE2 4.29Å; K103-F108 HydrophobicContact CG-CZ 3.74Å |
| 109 | V | 96.9 | Very high | 94.7 | Very high | 42 Ų | 42 | 70.1 Ų | 70.1 | 26% | 0.255 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 141.9 | -173.1 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | V76 I77 R78 N102 D107 | V76-V109 HydrophobicContact CG1-CG1 3.83Å; I77-V109 WeakPolarHBondContact O-CA 3.14Å; R78-V109 HydrophobicContact CB-CG2 4.38Å; R78-V109 HydrophobicContact CG-CG2 4.11Å; N102-V109 PolarHBondContact N-O 2.87Å; N102-V109 PolarHBondContact O-N 3Å; D107-V109 HydrophobicContact CB-CG2 4.21Å |
| 110 | A | 96.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 70.4 Ų | 70.4 | 7% | 0.074 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 144.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | I77 L101 L112 | I77-A110 PolarHBondContact N-O 3.22Å; I77-A110 PolarHBondContact O-N 2.92Å; L101-A110 HydrophobicContact CG-CB 4.1Å; A110-L112 HydrophobicContact CB-CD2 4.43Å; A110-L112 HydrophobicContact CB-CG 4.44Å |
| 111 | I | 96.2 | Very high | 94.7 | Very high | 116 Ų | 116 | 66.7 Ų | 66.7 | 60% | 0.595 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 117.9 | 170.2 | -56.8 | 177.5 | 0 | 0 | 0 | 106.1 | P74 T75 V76 | P74-I111 HydrophobicContact CB-CG2 3.88Å; T75-I111 WeakPolarHBondContact O-CA 3.43Å; V76-I111 HydrophobicContact CG2-CG1 4.35Å |
| 112 | L | 95.4 | Very high | 94.6 | Very high | 22 Ų | 22 | 67.4 Ų | 67.4 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 134.3 | -176.9 | -58.5 | -177.7 | 0 | 0 | 0 | 109.9 | T75 I77 F92 I99 A110 L114 | T75-L112 PolarHBondContact N-O 2.74Å; T75-L112 PolarHBondContact O-N 3.02Å; I77-L112 HydrophobicContact CD1-CD1 3.83Å; F92-L112 HydrophobicContact CD2-CD1 4.22Å; F92-L112 HydrophobicContact CE1-CD1 4.14Å; F92-L112 HydrophobicContact CE2-CD1 3.54Å; F92-L112 HydrophobicContact CZ-CD1 3.49Å; F92-L112 VanDerWaalsContact CZ-CD1 3.49Å; I99-L112 HydrophobicContact CD1-CD1 4.3Å; I99-L112 HydrophobicContact CD1-CD2 4Å; I99-L112 HydrophobicContact CG2-CD2 4.36Å; A110-L112 HydrophobicContact CB-CD2 4.43Å; A110-L112 HydrophobicContact CB-CG 4.44Å; L112-L114 HydrophobicContact CB-CD2 4.04Å; L112-L114 HydrophobicContact CB-CG 4.23Å; L112-L114 PolarHBondContact O-N 2.88Å |
| 113 | D | 94.9 | Very high | 94.7 | Very high | 112 Ų | 112 | 61.3 Ų | 61.3 | 60% | 0.599 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 104.3 | 173 | -67.9 | -35.8 | 0 | 0 | 0 | 109.7 | R73 P74 | R73-D113 WeakPolarHBondContact O-CA 3.49Å; P74-D113 WeakPolarHBondContact CA-OD1 3.28Å |
| 114 | L | 94.9 | Very high | 94.8 | Very high | 2 Ų | 2 | 56.7 Ų | 56.7 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.7 | -178.3 | -57.8 | -174 | 0 | 0 | 0 | 110.4 | S72 R73 T75 F92 L112 H119 I149 V151 | S72-L114 CarbonylContact C-O 3.53Å; S72-L114 WeakPolarHBondContact CA-O 3.36Å; R73-L114 PolarHBondContact N-O 3.15Å; R73-L114 PolarHBondContact O-N 3.35Å; T75-L114 HydrophobicContact CG2-CD1 4.07Å; F92-L114 HydrophobicContact CB-CD2 3.52Å; F92-L114 HydrophobicContact CD1-CD1 4.5Å; F92-L114 HydrophobicContact CD1-CD2 3.73Å; F92-L114 HydrophobicContact CD2-CD2 4.27Å; F92-L114 HydrophobicContact CG-CD2 3.57Å; L112-L114 HydrophobicContact CB-CD2 4.04Å; L112-L114 HydrophobicContact CB-CG 4.23Å; L112-L114 PolarHBondContact O-N 2.88Å; L114-H119 HydrophobicContact CD1-CB 4.43Å; L114-I149 HydrophobicContact CD1-CG2 4.38Å; L114-V151 HydrophobicContact CB-CG2 4.13Å; L114-V151 HydrophobicContact CD1-CG2 4.26Å |
| 115 | P | 93.9 | Very high | 95.2 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | trans | -67.6 | 159.3 | 170.9 | 30.7 | -34.1 | 0 | 0 | 0 | 110.6 | P70 H119 | P70-P115 HydrophobicContact CB-CB 4.41Å; P115-H119 PolarHBondContact O-NE2 3.32Å | ||
| 116 | E | 93.9 | Very high | 95.7 | Very high | 115 Ų | 115 | 49.9 Ų | 49.9 | 54% | 0.537 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -55.2 | 140.9 | 174.2 | -165 | -178.8 | -177.3 | 0 | 0 | 111.4 | V151 Q153 | E116-V151 WeakPolarHBondContact CA-O 3.42Å; E116-V151 WeakPolarHBondContact CG-O 3.45Å; E116-Q153 PolarHBondContact OE1-N 3.08Å; E116-Q153 VanDerWaalsContact OE1-N 3.14Å |
| 117 | G | 94.6 | Very high | 96.1 | Very high | 29 Ų | 29 | 45.9 Ų | 45.9 | 30% | 0.299 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 122.4 | -169.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | H119 V151 | G117-H119 PolarHBondContact O-CD2 3.24Å; G117-V151 PolarHBondContact N-O 3.01Å; G117-V151 PolarHBondContact O-N 3.34Å |
| 118 | E | 96.2 | Very high | 96.2 | Very high | 131 Ų | 131 | 50.5 Ų | 50.5 | 61% | 0.612 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 130.2 | -177.1 | -73.3 | -175.8 | -175.8 | 0 | 0 | 112.3 | L148 E150 | E118-L148 HydrophobicContact CB-CD1 3.97Å; E118-L148 HydrophobicContact CG-CD1 4.28Å; E118-E150 HydrophobicContact CG-CG 4.45Å |
| 119 | H | 96.4 | Very high | 96.2 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 7% | 0.069 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 128.4 | 175.4 | -60.4 | -80.3 | 0 | 0 | 0 | 111.2 | S91 F92 L114 P115 G117 I149 | S91-H119 WeakPolarHBondContact OG-CA 3.37Å; F92-H119 HydrophobicContact CD1-CB 4.45Å; L114-H119 HydrophobicContact CD1-CB 4.43Å; P115-H119 PolarHBondContact O-NE2 3.32Å; G117-H119 PolarHBondContact O-CD2 3.24Å; H119-I149 HydrophobicContact CB-CG2 3.83Å; H119-I149 PolarHBondContact N-O 2.98Å; H119-I149 PolarHBondContact O-N 2.92Å |
| 120 | Q | 97.1 | Very high | 96.2 | Very high | 56 Ų | 56 | 55.6 Ų | 55.6 | 26% | 0.262 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 137.4 | 173.1 | -64.8 | -175.4 | 24.7 | 0 | 0 | 109.8 | G90 S91 W95 V138 N146 N147 L148 | G90-Q120 CarbonylContact C-O 3.59Å; G90-Q120 WeakPolarHBondContact CA-O 3.34Å; S91-Q120 PolarHBondContact N-O 3.31Å; S91-Q120 PolarHBondContact OG-N 2.82Å; S91-Q120 VanDerWaalsContact OG-N 3.11Å; S91-Q120 PolarHBondContact OG-O 2.86Å; W95-Q120 HydrophobicContact CZ2-CB 3.89Å; Q120-V138 VanDerWaalsContact CD-CG1 3.48Å; Q120-V138 HydrophobicContact CG-CG1 3.69Å; Q120-N146 HydrophobicContact CB-CB 4.32Å; Q120-N146 PolarHBondContact OE1-ND2 2.92Å; Q120-N147 CarbonylContact C-O 3.6Å; Q120-N147 VanDerWaalsContact CA-O 3.29Å; Q120-N147 WeakPolarHBondContact CA-O 3.38Å; Q120-L148 HydrophobicContact CG-CD1 4.15Å |
| 121 | Y | 97.4 | Very high | 96.2 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 2% | 0.02 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 164.6 | 179.1 | 69.4 | -84.3 | 0 | 0 | 0 | 112.4 | I77 I88 A89 F123 N147 I149 | I77-Y121 HydrophobicContact CG2-CD2 4.37Å; I77-Y121 HydrophobicContact CG2-CE2 3.94Å; I88-Y121 HydrophobicContact CD1-CD2 3.57Å; I88-Y121 HydrophobicContact CD1-CE2 4.33Å; I88-Y121 HydrophobicContact CD1-CG 4.07Å; I88-Y121 HydrophobicContact CG1-CD2 4.17Å; A89-Y121 CarbonylContact O-C 3.56Å; A89-Y121 WeakPolarHBondContact O-CA 3.32Å; Y121-F123 HydrophobicContact CD2-CE2 4.16Å; Y121-F123 HydrophobicContact CD2-CZ 4.24Å; Y121-F123 HydrophobicContact CE2-CD2 4.43Å; Y121-F123 AromaticContact CE2-CE2 3.56Å; Y121-F123 HydrophobicContact CE2-CE2 3.56Å; Y121-F123 AromaticContact CE2-CZ 3.69Å; Y121-F123 HydrophobicContact CE2-CZ 3.69Å; Y121-N147 HydrophobicContact CD1-CB 3.87Å; Y121-N147 HydrophobicContact CD2-CB 3.98Å; Y121-N147 HydrophobicContact CE1-CB 3.4Å; Y121-N147 HydrophobicContact CE2-CB 3.53Å; Y121-N147 HydrophobicContact CG-CB 4.14Å; Y121-N147 PolarHBondContact N-O 2.94Å; Y121-N147 PolarHBondContact O-N 2.53Å; Y121-I149 HydrophobicContact CD1-CB 4.46Å; Y121-I149 HydrophobicContact CD1-CG2 3.99Å; Y121-I149 HydrophobicContact CE1-CB 3.93Å; Y121-I149 HydrophobicContact CE1-CG2 3.95Å |
| 122 | K | 97.3 | Very high | 96.2 | Very high | 29 Ų | 29 | 53.4 Ų | 53.4 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 147.1 | 176.8 | -158.3 | 168.5 | -170.5 | 159.7 | 0 | 111.4 | A89 W95 W129 V130 I145 | A89-K122 PolarHBondContact N-O 3.05Å; A89-K122 VanDerWaalsContact N-O 3.13Å; A89-K122 PolarHBondContact O-N 2.97Å; W95-K122 HydrophobicContact CH2-CB 4.19Å; W95-K122 HydrophobicContact CZ3-CB 3.79Å; K122-W129 HydrophobicContact CB-CE3 3.97Å; K122-W129 HydrophobicContact CB-CZ3 4.1Å; K122-W129 HydrophobicContact CD-CB 4.22Å; K122-W129 HydrophobicContact CD-CE3 4.04Å; K122-W129 HydrophobicContact CG-CE3 3.9Å; K122-V130 WeakPolarHBondContact CG-O 3.44Å; K122-I145 VanDerWaalsContact CE-O 3.26Å; K122-I145 WeakPolarHBondContact CE-O 3.38Å; K122-I145 PolarHBondContact NZ-O 2.77Å |
| 123 | F | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 144.1 | 177.1 | -62.2 | -78.8 | 0 | 0 | 0 | 111.4 | I77 W79 V86 Y87 I88 L101 Y121 V125 W129 V130 D132 | I77-F123 HydrophobicContact CG2-CE1 4.07Å; I77-F123 HydrophobicContact CG2-CZ 3.77Å; W79-F123 HydrophobicContact CB-CD1 4.11Å; W79-F123 HydrophobicContact CB-CE1 3.79Å; W79-F123 HydrophobicContact CB-CZ 4.05Å; W79-F123 HydrophobicContact CD2-CD2 4.36Å; W79-F123 HydrophobicContact CD2-CG 4.31Å; W79-F123 HydrophobicContact CE3-CB 4.37Å; W79-F123 HydrophobicContact CE3-CD1 4.37Å; W79-F123 AromaticContact CE3-CD2 3.45Å; W79-F123 HydrophobicContact CE3-CD2 3.45Å; W79-F123 VanDerWaalsContact CE3-CD2 3.45Å; W79-F123 AromaticContact CE3-CE2 3.69Å; W79-F123 HydrophobicContact CE3-CE2 3.69Å; W79-F123 AromaticContact CE3-CG 3.81Å; W79-F123 HydrophobicContact CE3-CG 3.81Å; W79-F123 HydrophobicContact CE3-CZ 4.25Å; W79-F123 AromaticContact CZ3-CD2 3.83Å; W79-F123 HydrophobicContact CZ3-CD2 3.83Å; W79-F123 HydrophobicContact CZ3-CE2 4.32Å; W79-F123 HydrophobicContact CZ3-CG 4.35Å; V86-F123 HydrophobicContact CG1-CD1 4.24Å; Y87-F123 CarbonylContact O-C 3.55Å; Y87-F123 VanDerWaalsContact O-CA 3.32Å; Y87-F123 WeakPolarHBondContact O-CA 3.38Å; I88-F123 HydrophobicContact CB-CD1 4.37Å; I88-F123 HydrophobicContact CD1-CE1 4.16Å; L101-F123 HydrophobicContact CD2-CD1 4.22Å; L101-F123 HydrophobicContact CD2-CE1 3.81Å; Y121-F123 HydrophobicContact CD2-CE2 4.16Å; Y121-F123 HydrophobicContact CD2-CZ 4.24Å; Y121-F123 HydrophobicContact CE2-CD2 4.43Å; Y121-F123 AromaticContact CE2-CE2 3.56Å; Y121-F123 HydrophobicContact CE2-CE2 3.56Å; Y121-F123 AromaticContact CE2-CZ 3.69Å; Y121-F123 HydrophobicContact CE2-CZ 3.69Å; F123-V125 HydrophobicContact CB-CG2 4.06Å; F123-W129 CarbonylContact O-C 3.38Å; F123-W129 WeakPolarHBondContact O-CA 3.33Å; F123-V130 HydrophobicContact CB-CG2 4.01Å; F123-V130 PolarHBondContact N-O 3.23Å; F123-V130 PolarHBondContact O-N 2.79Å; F123-V130 VanDerWaalsContact O-O 3.09Å; F123-D132 HydrophobicContact CE2-CB 4.03Å |
| 124 | F | 97.8 | Very high | 96.2 | Very high | 36 Ų | 36 | 56.6 Ų | 56.6 | 16% | 0.158 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 101.6 | 168.9 | -171.9 | -97.9 | 0 | 0 | 0 | 108.1 | Y87 K98 G127 Q128 W129 | Y87-F124 HydrophobicContact CD2-CD1 4Å; Y87-F124 PolarHBondContact N-O 2.87Å; Y87-F124 PolarHBondContact O-N 3.06Å; K98-F124 HydrophobicContact CD-CB 4.2Å; K98-F124 HydrophobicContact CD-CD1 3.83Å; K98-F124 HydrophobicContact CD-CE1 4.36Å; K98-F124 HydrophobicContact CD-CG 3.97Å; K98-F124 VanDerWaalsContact NZ-CD1 3.25Å; F124-G127 VanDerWaalsContact CE2-C 3.42Å; F124-G127 VanDerWaalsContact CE2-O 3.24Å; F124-G127 WeakPolarHBondContact CE2-O 3.48Å; F124-G127 VanDerWaalsContact CZ-O 3.28Å; F124-G127 WeakPolarHBondContact CZ-O 3.45Å; F124-Q128 CarbonylContact C-O 3.58Å; F124-Q128 WeakPolarHBondContact CA-O 3.24Å; F124-W129 HydrophobicContact CB-CD2 4.37Å; F124-W129 HydrophobicContact CB-CE3 4.06Å; F124-W129 HydrophobicContact CB-CH2 4.33Å; F124-W129 HydrophobicContact CB-CZ3 4.04Å; F124-W129 AromaticContact CD2-CD1 3.94Å; F124-W129 AromaticContact CD2-CD2 3.72Å; F124-W129 HydrophobicContact CD2-CD2 3.72Å; F124-W129 AromaticContact CD2-CE2 3.63Å; F124-W129 HydrophobicContact CD2-CE3 4.27Å; F124-W129 AromaticContact CD2-CG 3.94Å; F124-W129 HydrophobicContact CD2-CG 3.94Å; F124-W129 HydrophobicContact CD2-CZ2 4.14Å; F124-W129 AromaticContact CD2-NE1 3.76Å; F124-W129 AromaticContact CE2-NE1 3.96Å |
| 125 | V | 97.6 | Very high | 96.3 | Very high | 17 Ų | 17 | 60.4 Ų | 60.4 | 10% | 0.103 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 120.7 | -173.2 | 179.7 | 0 | 0 | 0 | 0 | 108.5 | W79 G82 V86 F123 G127 Q128 V130 | W79-V125 HydrophobicContact CD2-CG2 4.43Å; W79-V125 HydrophobicContact CZ2-CG2 3.9Å; G82-V125 WeakPolarHBondContact O-CG1 3.42Å; V86-V125 HydrophobicContact CG1-CG2 4.01Å; V86-V125 HydrophobicContact CG2-CG1 4.22Å; V86-V125 HydrophobicContact CG2-CG2 4.17Å; F123-V125 HydrophobicContact CB-CG2 4.06Å; V125-G127 PolarHBondContact O-N 2.94Å; V125-Q128 PolarHBondContact N-O 3.11Å; V125-Q128 PolarHBondContact O-N 3.11Å; V125-V130 HydrophobicContact CB-CG2 3.94Å; V125-V130 HydrophobicContact CG2-CG2 3.48Å; V125-V130 VanDerWaalsContact CG2-CG2 3.48Å |
| 126 | D | 96.2 | Very high | 96.4 | Very high | 87 Ų | 87 | 62.3 Ų | 62.3 | 47% | 0.465 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 37.8 | 174.9 | -64.4 | -19.1 | 0 | 0 | 0 | 114.2 | G83 K84 E85 | G83-D126 WeakPolarHBondContact CA-OD2 3.5Å; K84-D126 WeakPolarHBondContact CA-OD1 3.32Å; K84-D126 WeakPolarHBondContact CB-OD1 3.36Å; K84-D126 PolarHBondContact N-OD1 3.46Å; K84-D126 PolarHBondContact N-OD2 2.94Å; E85-D126 PolarHBondContact N-OD1 2.81Å; E85-D126 PolarHBondContact O-N 3.48Å |
| 127 | G | 95.5 | Very high | 96.6 | Very high | 49 Ų | 49 | 60.4 Ų | 60.4 | 51% | 0.505 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96 | -4.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | F124 V125 | F124-G127 VanDerWaalsContact CE2-C 3.42Å; F124-G127 VanDerWaalsContact CE2-O 3.24Å; F124-G127 WeakPolarHBondContact CE2-O 3.48Å; F124-G127 VanDerWaalsContact CZ-O 3.28Å; F124-G127 WeakPolarHBondContact CZ-O 3.45Å; V125-G127 PolarHBondContact O-N 2.94Å |
| 128 | Q | 96.3 | Very high | 96.7 | Very high | 139 Ų | 139 | 61.1 Ų | 61.1 | 65% | 0.65 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 140.7 | -174.5 | -62.3 | -168 | -15.5 | 0 | 0 | 112.9 | F124 V125 V130 | F124-Q128 CarbonylContact C-O 3.58Å; F124-Q128 WeakPolarHBondContact CA-O 3.24Å; V125-Q128 PolarHBondContact N-O 3.11Å; V125-Q128 PolarHBondContact O-N 3.11Å; Q128-V130 HydrophobicContact CB-CG1 4.49Å |
| 129 | W | 96.5 | Very high | 96.7 | Very high | 117 Ų | 117 | 59.4 Ų | 59.4 | 44% | 0.443 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 116.8 | 173.5 | -73.7 | 107 | 0 | 0 | 0 | 110.6 | A89 K122 F123 F124 | A89-W129 HydrophobicContact CB-CH2 3.85Å; A89-W129 HydrophobicContact CB-CZ3 4.2Å; K122-W129 HydrophobicContact CB-CE3 3.97Å; K122-W129 HydrophobicContact CB-CZ3 4.1Å; K122-W129 HydrophobicContact CD-CB 4.22Å; K122-W129 HydrophobicContact CD-CE3 4.04Å; K122-W129 HydrophobicContact CG-CE3 3.9Å; F123-W129 CarbonylContact O-C 3.38Å; F123-W129 WeakPolarHBondContact O-CA 3.33Å; F124-W129 HydrophobicContact CB-CD2 4.37Å; F124-W129 HydrophobicContact CB-CE3 4.06Å; F124-W129 HydrophobicContact CB-CH2 4.33Å; F124-W129 HydrophobicContact CB-CZ3 4.04Å; F124-W129 AromaticContact CD2-CD1 3.94Å; F124-W129 AromaticContact CD2-CD2 3.72Å; F124-W129 HydrophobicContact CD2-CD2 3.72Å; F124-W129 AromaticContact CD2-CE2 3.63Å; F124-W129 HydrophobicContact CD2-CE3 4.27Å; F124-W129 AromaticContact CD2-CG 3.94Å; F124-W129 HydrophobicContact CD2-CG 3.94Å; F124-W129 HydrophobicContact CD2-CZ2 4.14Å; F124-W129 AromaticContact CD2-NE1 3.76Å; F124-W129 AromaticContact CE2-NE1 3.96Å |
| 130 | V | 96.8 | Very high | 96.4 | Very high | 40 Ų | 40 | 60.4 Ų | 60.4 | 24% | 0.242 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 159.5 | -178.9 | -60.4 | 0 | 0 | 0 | 0 | 110.2 | W79 K122 F123 V125 Q128 | W79-V130 HydrophobicContact CH2-CB 4.37Å; W79-V130 HydrophobicContact CH2-CG2 3.61Å; W79-V130 HydrophobicContact CZ2-CG2 4Å; W79-V130 HydrophobicContact CZ3-CG2 4.17Å; K122-V130 WeakPolarHBondContact CG-O 3.44Å; F123-V130 HydrophobicContact CB-CG2 4.01Å; F123-V130 PolarHBondContact N-O 3.23Å; F123-V130 PolarHBondContact O-N 2.79Å; F123-V130 VanDerWaalsContact O-O 3.09Å; V125-V130 HydrophobicContact CB-CG2 3.94Å; V125-V130 HydrophobicContact CG2-CG2 3.48Å; V125-V130 VanDerWaalsContact CG2-CG2 3.48Å; Q128-V130 HydrophobicContact CB-CG1 4.49Å |
| 131 | H | 96.9 | Very high | 95.8 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | trans | -118.8 | 157.3 | 173.5 | 68.6 | -84 | 0 | 0 | 0 | 108.5 | P133 N147 | H131-P133 WeakPolarHBondContact O-CD 3.33Å; H131-N147 VanDerWaalsContact CA-OD1 3.3Å; H131-N147 WeakPolarHBondContact CA-OD1 3.36Å; H131-N147 VanDerWaalsContact CB-OD1 3.3Å; H131-N147 WeakPolarHBondContact CB-OD1 3.41Å | ||
| 132 | D | 96.8 | Very high | 95.3 | Very high | 14 Ų | 14 | 74.8 Ų | 74.8 | 8% | 0.075 | 41% | 0.413 | C | S | . | . | trans | -80.3 | 120 | 173.1 | -165.6 | -25.7 | 0 | 0 | 0 | 109.8 | W79 F123 S134 E135 N147 | W79-D132 HydrophobicContact CE3-CB 4.24Å; W79-D132 HydrophobicContact CZ3-CB 4.08Å; F123-D132 HydrophobicContact CE2-CB 4.03Å; D132-S134 VanDerWaalsContact C-N 3.3Å; D132-S134 PolarHBondContact O-N 3.38Å; D132-S134 PolarHBondContact OD1-N 3.34Å; D132-S134 PolarHBondContact OD1-OG 3.23Å; D132-E135 HydrophobicContact CB-CB 4.29Å; D132-E135 HydrophobicContact CB-CG 4.11Å; D132-N147 PolarHBondContact N-OD1 3.15Å; D132-N147 PolarHBondContact O-ND2 2.89Å | ||
| 133 | P | 95.3 | Very high | 94.9 | Very high | 110 Ų | 110 | 76 Ų | 76 | 71% | 0.714 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -13.9 | 178.6 | 31.3 | -36.9 | 0 | 0 | 0 | 114.3 | H131 | H131-P133 WeakPolarHBondContact O-CD 3.33Š|
| 134 | S | 95.1 | Very high | 94.7 | Very high | 91 Ų | 91 | 78.9 Ų | 78.9 | 64% | 0.636 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16.4 | 176 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | D132 | D132-S134 VanDerWaalsContact C-N 3.3Å; D132-S134 PolarHBondContact O-N 3.38Å; D132-S134 PolarHBondContact OD1-N 3.34Å; D132-S134 PolarHBondContact OD1-OG 3.23Å |
| 135 | E | 96.5 | Very high | 94.6 | Very high | 83 Ų | 83 | 80.3 Ų | 80.3 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -100.9 | 154 | -176.9 | -63.3 | -59.1 | 139.3 | 0 | 0 | 111.5 | D132 | D132-E135 HydrophobicContact CB-CB 4.29Å; D132-E135 HydrophobicContact CB-CG 4.11Å |
| 136 | P | 96.9 | Very high | 94.6 | Very high | 81 Ų | 81 | 79.8 Ų | 79.8 | 53% | 0.526 | 46% | 0.456 | S | S | . | . | trans | -54.4 | 144.8 | 175 | -25.4 | 34.9 | 0 | 0 | 0 | 112.7 | N147 L148 | P136-N147 CarbonylContact O-C 3.48Å; P136-N147 VanDerWaalsContact O-CA 3.28Å; P136-N147 WeakPolarHBondContact O-CA 3Å; P136-N147 PolarHBondContact O-ND2 3.31Å; P136-L148 PolarHBondContact O-N 2.99Å | ||
| 137 | V | 97.4 | Very high | 94.7 | Very high | 74 Ų | 74 | 75.7 Ų | 75.7 | 45% | 0.448 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 150.7 | 180 | -65.4 | 0 | 0 | 0 | 0 | 112.2 | I145 N146 N147 | V137-I145 HydrophobicContact CB-CG2 3.89Å; V137-I145 HydrophobicContact CG1-CG2 4.09Å; V137-I145 HydrophobicContact CG2-CG2 4.3Å; V137-N146 CarbonylContact C-O 3.54Å; V137-N146 VanDerWaalsContact CA-O 3.24Å; V137-N146 WeakPolarHBondContact CA-O 3.39Å; V137-N146 WeakPolarHBondContact CB-O 3.28Å; V137-N147 WeakPolarHBondContact CG1-ND2 3.38Å |
| 138 | V | 97 | Very high | 94.8 | Very high | 44 Ų | 44 | 75 Ų | 75 | 27% | 0.267 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 142.4 | 172.3 | 65.1 | 0 | 0 | 0 | 0 | 110 | Q120 N146 L148 | Q120-V138 VanDerWaalsContact CD-CG1 3.48Å; Q120-V138 HydrophobicContact CG-CG1 3.69Å; V138-N146 PolarHBondContact N-O 2.81Å; V138-N146 PolarHBondContact O-N 3.18Å; V138-L148 HydrophobicContact CG1-CB 4.26Å |
| 139 | T | 96 | Very high | 94.8 | Very high | 96 Ų | 96 | 70.2 Ų | 70.2 | 59% | 0.589 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 118.3 | 174.4 | -57.2 | 0 | 0 | 0 | 0 | 109.1 | ||
| 140 | S | 89.1 | Confident | 94.7 | Very high | 35 Ų | 35 | 69.5 Ų | 69.5 | 25% | 0.245 | 40% | 0.399 | C | S | . | . | trans | -68.5 | 161.8 | 176 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | L142 G143 T144 | S140-L142 PolarHBondContact O-N 3.1Å; S140-L142 VanDerWaalsContact O-N 3.09Å; S140-G143 WeakPolarHBondContact O-CA 3.29Å; S140-G143 PolarHBondContact O-N 2.83Å; S140-T144 WeakPolarHBondContact CB-O 3.38Å; S140-T144 WeakPolarHBondContact CB-OG1 3.45Å; S140-T144 PolarHBondContact N-O 3.36Å | ||
| 141 | Q | 85.4 | Confident | 94.6 | Very high | 206 Ų | 206 | 67.8 Ų | 67.8 | 96% | 0.963 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.2 | 177.2 | -60.6 | 177.2 | 18.7 | 0 | 0 | 113 | G143 | Q141-G143 VanDerWaalsContact C-N 3.26Å; Q141-G143 PolarHBondContact O-N 2.94Å |
| 142 | L | 86.9 | Confident | 94.4 | Very high | 157 Ų | 157 | 68 Ų | 68 | 82% | 0.822 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 5.7 | 176.7 | -59.2 | 176.5 | 0 | 0 | 0 | 113.3 | S140 T144 | S140-L142 PolarHBondContact O-N 3.1Å; S140-L142 VanDerWaalsContact O-N 3.09Å; L142-T144 VanDerWaalsContact C-N 3.3Å; L142-T144 PolarHBondContact O-N 3.46Å |
| 143 | G | 89.3 | Confident | 93.9 | Very high | 54 Ų | 54 | 71.6 Ų | 71.6 | 56% | 0.557 | 41% | 0.405 | S | S | * | . | S | Bend | trans | 79.7 | 5.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S140 Q141 | S140-G143 WeakPolarHBondContact O-CA 3.29Å; S140-G143 PolarHBondContact O-N 2.83Å; Q141-G143 VanDerWaalsContact C-N 3.26Å; Q141-G143 PolarHBondContact O-N 2.94Å |
| 144 | T | 93 | Very high | 93.5 | Very high | 61 Ų | 61 | 67.5 Ų | 67.5 | 37% | 0.374 | 38% | 0.379 | S | S | . | . | trans | -82.2 | 131.2 | 177.2 | 59.2 | 0 | 0 | 0 | 0 | 111.1 | S140 L142 | S140-T144 WeakPolarHBondContact CB-O 3.38Å; S140-T144 WeakPolarHBondContact CB-OG1 3.45Å; S140-T144 PolarHBondContact N-O 3.36Å; L142-T144 VanDerWaalsContact C-N 3.3Å; L142-T144 PolarHBondContact O-N 3.46Å | ||
| 145 | I | 96.5 | Very high | 93.1 | Very high | 67 Ų | 67 | 66.7 Ų | 66.7 | 34% | 0.344 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.9 | 172.4 | -55.9 | 172.9 | 0 | 0 | 0 | 109 | K122 V137 | K122-I145 VanDerWaalsContact CE-O 3.26Å; K122-I145 WeakPolarHBondContact CE-O 3.38Å; K122-I145 PolarHBondContact NZ-O 2.77Å; V137-I145 HydrophobicContact CB-CG2 3.89Å; V137-I145 HydrophobicContact CG1-CG2 4.09Å; V137-I145 HydrophobicContact CG2-CG2 4.3Å |
| 146 | N | 97.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 66 Ų | 66 | 3% | 0.032 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 151 | 177.1 | -61.5 | -26.4 | 0 | 0 | 0 | 109 | W95 Q120 V137 V138 | W95-N146 HydrophobicContact CH2-CB 4.12Å; W95-N146 VanDerWaalsContact CH2-CG 3.45Å; W95-N146 WeakPolarHBondContact CH2-ND2 3.17Å; W95-N146 WeakPolarHBondContact CZ2-ND2 3.47Å; Q120-N146 HydrophobicContact CB-CB 4.32Å; Q120-N146 PolarHBondContact OE1-ND2 2.92Å; V137-N146 CarbonylContact C-O 3.54Å; V137-N146 VanDerWaalsContact CA-O 3.24Å; V137-N146 WeakPolarHBondContact CA-O 3.39Å; V137-N146 WeakPolarHBondContact CB-O 3.28Å; V138-N146 PolarHBondContact N-O 2.81Å; V138-N146 PolarHBondContact O-N 3.18Å |
| 147 | N | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 152.2 | 167.3 | -68.6 | 108.4 | 0 | 0 | 0 | 110.3 | Q120 Y121 H131 D132 P136 V137 | Q120-N147 CarbonylContact C-O 3.6Å; Q120-N147 VanDerWaalsContact CA-O 3.29Å; Q120-N147 WeakPolarHBondContact CA-O 3.38Å; Y121-N147 HydrophobicContact CD1-CB 3.87Å; Y121-N147 HydrophobicContact CD2-CB 3.98Å; Y121-N147 HydrophobicContact CE1-CB 3.4Å; Y121-N147 HydrophobicContact CE2-CB 3.53Å; Y121-N147 HydrophobicContact CG-CB 4.14Å; Y121-N147 PolarHBondContact N-O 2.94Å; Y121-N147 PolarHBondContact O-N 2.53Å; H131-N147 VanDerWaalsContact CA-OD1 3.3Å; H131-N147 WeakPolarHBondContact CA-OD1 3.36Å; H131-N147 VanDerWaalsContact CB-OD1 3.3Å; H131-N147 WeakPolarHBondContact CB-OD1 3.41Å; D132-N147 PolarHBondContact N-OD1 3.15Å; D132-N147 PolarHBondContact O-ND2 2.89Å; P136-N147 CarbonylContact O-C 3.48Å; P136-N147 VanDerWaalsContact O-CA 3.28Å; P136-N147 WeakPolarHBondContact O-CA 3Å; P136-N147 PolarHBondContact O-ND2 3.31Å; V137-N147 WeakPolarHBondContact CG1-ND2 3.38Å |
| 148 | L | 97.3 | Very high | 91.8 | Very high | 36 Ų | 36 | 68.5 Ų | 68.5 | 19% | 0.188 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 129.3 | 177.8 | -178.7 | 66.8 | 0 | 0 | 0 | 108.6 | E118 Q120 P136 V138 | E118-L148 HydrophobicContact CB-CD1 3.97Å; E118-L148 HydrophobicContact CG-CD1 4.28Å; Q120-L148 HydrophobicContact CG-CD1 4.15Å; P136-L148 PolarHBondContact O-N 2.99Å; V138-L148 HydrophobicContact CG1-CB 4.26Å |
| 149 | I | 96.3 | Very high | 91.5 | Very high | 37 Ų | 37 | 74.6 Ų | 74.6 | 19% | 0.19 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132.3 | 169.4 | -173.4 | 162.7 | 0 | 0 | 0 | 108.8 | T75 L114 H119 Y121 | T75-I149 HydrophobicContact CG2-CD1 3.44Å; T75-I149 VanDerWaalsContact CG2-CD1 3.44Å; T75-I149 HydrophobicContact CG2-CG1 4.46Å; L114-I149 HydrophobicContact CD1-CG2 4.38Å; H119-I149 HydrophobicContact CB-CG2 3.83Å; H119-I149 PolarHBondContact N-O 2.98Å; H119-I149 PolarHBondContact O-N 2.92Å; Y121-I149 HydrophobicContact CD1-CB 4.46Å; Y121-I149 HydrophobicContact CD1-CG2 3.99Å; Y121-I149 HydrophobicContact CE1-CB 3.93Å; Y121-I149 HydrophobicContact CE1-CG2 3.95Å |
| 150 | E | 95.5 | Very high | 91.1 | Very high | 103 Ų | 103 | 73.5 Ų | 73.5 | 48% | 0.481 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 119.4 | 174.1 | -168.3 | -177 | -174.2 | 0 | 0 | 107.6 | E118 K152 | E118-E150 HydrophobicContact CG-CG 4.45Å; E150-K152 HydrophobicContact CG-CG 4.19Å; E150-K152 WeakPolarHBondContact OE1-CE 3.31Å; E150-K152 IonicContact OE1-NZ 2.96Å; E150-K152 WeakPolarHBondContact OE2-CE 2.91Å; E150-K152 IonicContact OE2-NZ 3.85Å; E150-K152 PolarHBondContact OE2-NZ 3.06Å |
| 151 | V | 94.7 | Very high | 91.2 | Very high | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.018 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 113.9 | 176.4 | 179.5 | 0 | 0 | 0 | 0 | 107 | T75 L114 E116 G117 F156 | T75-V151 HydrophobicContact CG2-CG2 4.18Å; L114-V151 HydrophobicContact CB-CG2 4.13Å; L114-V151 HydrophobicContact CD1-CG2 4.26Å; E116-V151 WeakPolarHBondContact CA-O 3.42Å; E116-V151 WeakPolarHBondContact CG-O 3.45Å; G117-V151 PolarHBondContact N-O 3.01Å; G117-V151 PolarHBondContact O-N 3.34Å; V151-F156 HydrophobicContact CG1-CE2 3.69Å; V151-F156 HydrophobicContact CG1-CZ 3.9Å |
| 152 | K | 91.4 | Very high | 91.4 | Very high | 71 Ų | 71 | 68 Ų | 68 | 31% | 0.309 | 36% | 0.361 | S | S | . | . | trans | -104.7 | 159.5 | -179.3 | -65 | 176.7 | -178.1 | 163.2 | 0 | 111.7 | E150 S154 D155 F156 | E150-K152 HydrophobicContact CG-CG 4.19Å; E150-K152 WeakPolarHBondContact OE1-CE 3.31Å; E150-K152 IonicContact OE1-NZ 2.96Å; E150-K152 WeakPolarHBondContact OE2-CE 2.91Å; E150-K152 IonicContact OE2-NZ 3.85Å; E150-K152 PolarHBondContact OE2-NZ 3.06Å; K152-S154 WeakPolarHBondContact CB-OG 3.48Å; K152-S154 PolarHBondContact O-N 3.26Å; K152-D155 WeakPolarHBondContact CB-OD2 3.05Å; K152-D155 PolarHBondContact N-OD2 3.23Å; K152-D155 PolarHBondContact O-N 3.08Å; K152-F156 VanDerWaalsContact O-CD2 3.32Å; K152-F156 WeakPolarHBondContact O-CD2 3.31Å; K152-F156 WeakPolarHBondContact O-CE2 3.35Å | ||
| 153 | Q | 87.8 | Confident | 91.4 | Very high | 89 Ų | 89 | 66.3 Ų | 66.3 | 42% | 0.416 | 35% | 0.348 | S | S | . | . | G | 310 helix | trans | -56.4 | -39.2 | 169.4 | -177.8 | 65.2 | 25.4 | 0 | 0 | 112.7 | R73 E116 D155 | R73-Q153 VanDerWaalsContact NH1-CA 3.33Å; R73-Q153 PolarHBondContact NH1-O 2.93Å; E116-Q153 PolarHBondContact OE1-N 3.08Å; E116-Q153 VanDerWaalsContact OE1-N 3.14Å; Q153-D155 VanDerWaalsContact C-N 3.28Å; Q153-D155 PolarHBondContact O-N 3.31Å |
| 154 | S | 86.5 | Confident | 91.2 | Very high | 23 Ų | 23 | 66.2 Ų | 66.2 | 16% | 0.161 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -64.8 | -25.4 | -176.8 | 50.4 | 0 | 0 | 0 | 0 | 114.3 | K152 F156 E157 A161 | K152-S154 WeakPolarHBondContact CB-OG 3.48Å; K152-S154 PolarHBondContact O-N 3.26Å; S154-F156 PolarHBondContact O-N 3.31Å; S154-E157 PolarHBondContact O-N 3.08Å; S154-A161 PolarHBondContact O-N 2.82Å |
| 155 | D | 86.7 | Confident | 90.9 | Very high | 75 Ų | 75 | 67.9 Ų | 67.9 | 40% | 0.401 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -71.3 | -6.8 | -170.7 | -54.8 | -21.8 | 0 | 0 | 0 | 113.3 | K152 Q153 | K152-D155 WeakPolarHBondContact CB-OD2 3.05Å; K152-D155 PolarHBondContact N-OD2 3.23Å; K152-D155 PolarHBondContact O-N 3.08Å; Q153-D155 VanDerWaalsContact C-N 3.28Å; Q153-D155 PolarHBondContact O-N 3.31Å |
| 156 | F | 84.7 | Confident | 90.4 | Very high | 69 Ų | 69 | 66.7 Ų | 66.7 | 30% | 0.303 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -115.3 | -18.8 | -173.4 | -60.9 | -89 | 0 | 0 | 0 | 113.1 | R73 P74 V151 K152 S154 | R73-F156 HydrophobicContact CB-CD1 3.91Å; R73-F156 HydrophobicContact CB-CD2 4.39Å; R73-F156 HydrophobicContact CB-CE1 3.28Å; R73-F156 HydrophobicContact CB-CE2 3.78Å; R73-F156 HydrophobicContact CB-CG 4.42Å; R73-F156 HydrophobicContact CB-CZ 3.18Å; R73-F156 HydrophobicContact CG-CD1 4.42Å; R73-F156 HydrophobicContact CG-CD2 4.45Å; R73-F156 HydrophobicContact CG-CE1 4.21Å; R73-F156 HydrophobicContact CG-CE2 4.16Å; R73-F156 HydrophobicContact CG-CZ 4.04Å; P74-F156 HydrophobicContact CG-CE1 4.39Å; P74-F156 WeakPolarHBondContact O-CE1 3.19Å; V151-F156 HydrophobicContact CG1-CE2 3.69Å; V151-F156 HydrophobicContact CG1-CZ 3.9Å; K152-F156 VanDerWaalsContact O-CD2 3.32Å; K152-F156 WeakPolarHBondContact O-CD2 3.31Å; K152-F156 WeakPolarHBondContact O-CE2 3.35Å; S154-F156 PolarHBondContact O-N 3.31Å |
| 157 | E | 89.4 | Confident | 89.6 | Confident | 106 Ų | 106 | 72.9 Ų | 72.9 | 50% | 0.495 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -92.1 | 112.1 | 168.7 | -71.6 | -61.8 | 162.9 | 0 | 0 | 107.9 | S154 F159 D160 A161 | S154-E157 PolarHBondContact O-N 3.08Å; E157-F159 PolarHBondContact O-N 3.37Å; E157-F159 VanDerWaalsContact O-N 3.12Å; E157-D160 HydrophobicContact CB-CB 3.94Å; E157-D160 PolarHBondContact O-N 3.09Å; E157-A161 PolarHBondContact O-N 3.3Å |
| 158 | V | 89.4 | Confident | 88.8 | Confident | 101 Ų | 101 | 80 Ų | 80 | 61% | 0.612 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -55.9 | -38.5 | -170.3 | 177 | 0 | 0 | 0 | 0 | 112 | L162 | V158-L162 HydrophobicContact CG1-CD1 3.98Å; V158-L162 HydrophobicContact CG1-CG 4.49Å; V158-L162 WeakPolarHBondContact O-CB 3.38Å; V158-L162 WeakPolarHBondContact O-CG 3.37Å; V158-L162 PolarHBondContact O-N 2.97Å; V158-L162 VanDerWaalsContact O-N 3.08Å |
| 159 | F | 89.7 | Confident | 87.7 | Confident | 172 Ų | 172 | 81 Ų | 81 | 75% | 0.754 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -70.1 | -38 | 178.6 | -64.7 | -66 | 0 | 0 | 0 | 112.7 | E157 Q163 | E157-F159 PolarHBondContact O-N 3.37Å; E157-F159 VanDerWaalsContact O-N 3.12Å; F159-Q163 WeakPolarHBondContact O-CB 3.32Å; F159-Q163 PolarHBondContact O-N 3.23Å |
| 160 | D | 89.1 | Confident | 86 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 39% | 0.39 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.2 | -43 | 179.7 | -65.7 | -12.1 | 0 | 0 | 0 | 110.5 | E157 Q163 V164 | E157-D160 HydrophobicContact CB-CB 3.94Å; E157-D160 PolarHBondContact O-N 3.09Å; D160-Q163 WeakPolarHBondContact O-CB 3.47Å; D160-Q163 PolarHBondContact O-N 3.32Å; D160-V164 WeakPolarHBondContact O-CG2 3.12Å; D160-V164 PolarHBondContact O-N 2.96Å |
| 161 | A | 90.2 | Very high | 84.2 | Confident | 22 Ų | 22 | 86.1 Ų | 86.1 | 18% | 0.182 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -57.8 | -50 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S154 E157 Q163 V164 D165 | S154-A161 PolarHBondContact O-N 2.82Å; E157-A161 PolarHBondContact O-N 3.3Å; A161-Q163 VanDerWaalsContact C-N 3.27Å; A161-Q163 PolarHBondContact O-N 2.97Å; A161-V164 PolarHBondContact O-N 3.32Å; A161-D165 PolarHBondContact O-N 3.42Å |
| 162 | L | 89.4 | Confident | 82.4 | Confident | 104 Ų | 104 | 89.4 Ų | 89.4 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -34.4 | 177.4 | -72.7 | 173 | 0 | 0 | 0 | 112.5 | V158 S166 | V158-L162 HydrophobicContact CG1-CD1 3.98Å; V158-L162 HydrophobicContact CG1-CG 4.49Å; V158-L162 WeakPolarHBondContact O-CB 3.38Å; V158-L162 WeakPolarHBondContact O-CG 3.37Å; V158-L162 PolarHBondContact O-N 2.97Å; V158-L162 VanDerWaalsContact O-N 3.08Å; L162-S166 VanDerWaalsContact O-CB 3.31Å; L162-S166 WeakPolarHBondContact O-CB 3.5Å; L162-S166 PolarHBondContact O-N 2.84Å; L162-S166 PolarHBondContact O-OG 3.49Å |
| 163 | Q | 87.1 | Confident | 80.7 | Confident | 120 Ų | 120 | 88.1 Ų | 88.1 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -67.2 | -45.3 | 176.5 | -177.5 | 173.7 | -1 | 0 | 0 | 111.4 | F159 D160 A161 S166 L167 | F159-Q163 WeakPolarHBondContact O-CB 3.32Å; F159-Q163 PolarHBondContact O-N 3.23Å; D160-Q163 WeakPolarHBondContact O-CB 3.47Å; D160-Q163 PolarHBondContact O-N 3.32Å; A161-Q163 VanDerWaalsContact C-N 3.27Å; A161-Q163 PolarHBondContact O-N 2.97Å; Q163-S166 PolarHBondContact O-N 3.39Å; Q163-S166 PolarHBondContact O-OG 3.34Å; Q163-L167 WeakPolarHBondContact O-CG 3.41Å; Q163-L167 PolarHBondContact O-N 3.14Å |
| 164 | V | 86.1 | Confident | 79 | Confident | 52 Ų | 52 | 90.1 Ų | 90.1 | 32% | 0.315 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.2 | -48.9 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 110.3 | D160 A161 S166 L167 E168 | D160-V164 WeakPolarHBondContact O-CG2 3.12Å; D160-V164 PolarHBondContact O-N 2.96Å; A161-V164 PolarHBondContact O-N 3.32Å; V164-S166 VanDerWaalsContact C-N 3.28Å; V164-S166 PolarHBondContact O-N 3.08Å; V164-L167 PolarHBondContact O-N 3.19Å; V164-L167 VanDerWaalsContact O-N 3.09Å; V164-E168 PolarHBondContact O-N 3.35Å |
| 165 | D | 86.3 | Confident | 77.6 | Confident | 96 Ų | 96 | 96.2 Ų | 96.2 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.8 | -38.7 | 178.6 | -71.1 | -10 | 0 | 0 | 0 | 112.2 | A161 L167 E168 S169 | A161-D165 PolarHBondContact O-N 3.42Å; D165-L167 VanDerWaalsContact C-N 3.28Å; D165-L167 PolarHBondContact O-N 3.04Å; D165-E168 PolarHBondContact O-N 2.88Å; D165-S169 PolarHBondContact O-N 2.86Å; D165-S169 VanDerWaalsContact O-N 3.08Å |
| 166 | S | 85.6 | Confident | 76.4 | Confident | 42 Ų | 42 | 95.8 Ų | 95.8 | 29% | 0.294 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -32.4 | 178.5 | 76.4 | 0 | 0 | 0 | 0 | 112.8 | L162 Q163 V164 S169 T172 | L162-S166 VanDerWaalsContact O-CB 3.31Å; L162-S166 WeakPolarHBondContact O-CB 3.5Å; L162-S166 PolarHBondContact O-N 2.84Å; L162-S166 PolarHBondContact O-OG 3.49Å; Q163-S166 PolarHBondContact O-N 3.39Å; Q163-S166 PolarHBondContact O-OG 3.34Å; V164-S166 VanDerWaalsContact C-N 3.28Å; V164-S166 PolarHBondContact O-N 3.08Å; S166-S169 PolarHBondContact O-OG 3.07Å; S166-T172 WeakPolarHBondContact O-CG2 3.4Å |
| 167 | L | 80.9 | Confident | 75.5 | Confident | 136 Ų | 136 | 98.8 Ų | 98.8 | 71% | 0.712 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -77.2 | -30.3 | 178.8 | -67.9 | 171.5 | 0 | 0 | 0 | 112.2 | Q163 V164 D165 | Q163-L167 WeakPolarHBondContact O-CG 3.41Å; Q163-L167 PolarHBondContact O-N 3.14Å; V164-L167 PolarHBondContact O-N 3.19Å; V164-L167 VanDerWaalsContact O-N 3.09Å; D165-L167 VanDerWaalsContact C-N 3.28Å; D165-L167 PolarHBondContact O-N 3.04Å |
| 168 | E | 80.3 | Confident | 74.5 | Confident | 151 Ų | 151 | 95.7 Ų | 95.7 | 71% | 0.706 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -74.3 | -29.7 | 174 | -66.6 | -165.7 | 166.7 | 0 | 0 | 112 | V164 D165 T170 | V164-E168 PolarHBondContact O-N 3.35Å; D165-E168 PolarHBondContact O-N 2.88Å; E168-T170 PolarHBondContact O-N 2.83Å |
| 169 | S | 74.6 | Confident | 73.7 | Confident | 56 Ų | 56 | 95.7 Ų | 95.7 | 39% | 0.392 | 54% | 0.542 | S | S | . | . | trans | -70.8 | 114.7 | 171.5 | 77 | 0 | 0 | 0 | 0 | 110.7 | D165 S166 D171 | D165-S169 PolarHBondContact O-N 2.86Å; D165-S169 VanDerWaalsContact O-N 3.08Å; S166-S169 PolarHBondContact O-OG 3.07Å; S169-D171 PolarHBondContact O-N 3.28Å | ||
| 170 | T | 60.8 | Low | 73 | Confident | 148 Ų | 148 | 92.2 Ų | 92.2 | 91% | 0.908 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -69.1 | 0.7 | 177.9 | -39.7 | 0 | 0 | 0 | 0 | 112.9 | E168 | E168-T170 PolarHBondContact O-N 2.83Š|
| 171 | D | 58.2 | Low | 72.5 | Confident | 99 Ų | 99 | 91.6 Ų | 91.6 | 53% | 0.529 | 55% | 0.547 | S | S | . | . | trans | -119.8 | 47.4 | -170.1 | -153.2 | 4.7 | 0 | 0 | 0 | 113.1 | S169 S173 | S169-D171 PolarHBondContact O-N 3.28Å; D171-S173 PolarHBondContact O-N 3.08Å; D171-S173 PolarHBondContact OD1-OG 3.29Å | ||
| 172 | T | 56.2 | Low | 72.3 | Confident | 73 Ų | 73 | 96.6 Ų | 96.6 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -76.6 | -0.5 | 168.9 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | S166 D174 L175 | S166-T172 WeakPolarHBondContact O-CG2 3.4Å; T172-D174 PolarHBondContact O-N 3.36Å; T172-L175 PolarHBondContact O-N 3.28Å |
| 173 | S | 55 | Low | 72.2 | Confident | 44 Ų | 44 | 101 Ų | 101 | 31% | 0.308 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -64.7 | -25.9 | -177.8 | 76.1 | 0 | 0 | 0 | 0 | 113.3 | D171 | D171-S173 PolarHBondContact O-N 3.08Å; D171-S173 PolarHBondContact OD1-OG 3.29Å |
| 174 | D | 53.6 | Low | 72.1 | Confident | 130 Ų | 130 | 98.4 Ų | 98.4 | 70% | 0.695 | 59% | 0.594 | S | S | * | * | G | 310 helix | trans | -79.8 | -14.4 | -179.6 | -77.1 | -14.6 | 0 | 0 | 0 | 114.5 | T172 | T172-D174 PolarHBondContact O-N 3.36Š|
| 175 | L | 57 | Low | 72.3 | Confident | 152 Ų | 152 | 105.7 Ų | 105.7 | 80% | 0.796 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -90.1 | -16.9 | 178.9 | -61.7 | -179.7 | 0 | 0 | 0 | 112.7 | T172 | T172-L175 PolarHBondContact O-N 3.28Š|
| 176 | S | 61.2 | Low | 72.4 | Confident | 66 Ų | 66 | 109.9 Ų | 109.9 | 46% | 0.462 | 64% | 0.641 | S | S | . | * | trans | -79.9 | 122.8 | 175.3 | 176.8 | 0 | 0 | 0 | 0 | 109.8 | S178 | S176-S178 VanDerWaalsContact CB-O 3.28Å; S176-S178 WeakPolarHBondContact CB-O 3.4Å; S176-S178 PolarHBondContact O-N 3.23Å; S176-S178 VanDerWaalsContact O-N 3.08Å; S176-S178 PolarHBondContact OG-N 3.21Å; S176-S178 PolarHBondContact OG-O 3.21Å | ||
| 177 | S | 65.4 | Low | 72.4 | Confident | 131 Ų | 131 | 116.4 Ų | 116.4 | 92% | 0.916 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -61.9 | -11.8 | 169.3 | 59.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 178 | S | 69.2 | Low | 72.5 | Confident | 41 Ų | 41 | 117 Ų | 117 | 29% | 0.287 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -108.7 | 140.7 | 173.2 | -61.6 | 0 | 0 | 0 | 0 | 110.1 | S176 Y183 | S176-S178 VanDerWaalsContact CB-O 3.28Å; S176-S178 WeakPolarHBondContact CB-O 3.4Å; S176-S178 PolarHBondContact O-N 3.23Å; S176-S178 VanDerWaalsContact O-N 3.08Å; S176-S178 PolarHBondContact OG-N 3.21Å; S176-S178 PolarHBondContact OG-O 3.21Å; S178-Y183 PolarHBondContact OG-OH 3.11Å; S178-Y183 VanDerWaalsContact OG-OH 3.12Å |
| 179 | P | 72.6 | Confident | 72.6 | Confident | 102 Ų | 102 | 117.9 Ų | 117.9 | 66% | 0.662 | 67% | 0.667 | S | S | * | * | trans | -49.9 | 145.9 | 172.7 | -25.3 | 33.5 | 0 | 0 | 0 | 111.7 | ||||
| 180 | P | 74.1 | Confident | 72.7 | Confident | 99 Ų | 99 | 121.1 Ų | 121.1 | 64% | 0.643 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -62.4 | 139.5 | 177.9 | 26.1 | -34.6 | 0 | 0 | 0 | 111.1 | ||
| 181 | G | 79.7 | Confident | 73.5 | Confident | 59 Ų | 59 | 121.7 Ų | 121.7 | 61% | 0.608 | 66% | 0.66 | S | S | * | * | S | Bend | trans | 103.6 | 170 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 182 | P | 85.3 | Confident | 74.3 | Confident | 128 Ų | 128 | 120.8 Ų | 120.8 | 83% | 0.831 | 66% | 0.659 | S | S | * | * | trans | -69.3 | 148.3 | 177.2 | 29.6 | -34.2 | 0 | 0 | 0 | 111.2 | G184 | P182-G184 PolarHBondContact O-N 3.2Š| ||
| 183 | Y | 86.3 | Confident | 75.2 | Confident | 195 Ų | 195 | 124.3 Ų | 124.3 | 77% | 0.765 | 67% | 0.671 | S | S | * | * | trans | -64.1 | 120.5 | 168.9 | -71.2 | -85.7 | 0 | 0 | 0 | 109.8 | S178 | S178-Y183 PolarHBondContact OG-OH 3.11Å; S178-Y183 VanDerWaalsContact OG-OH 3.12Å | ||
| 184 | G | 86.8 | Confident | 76 | Confident | 67 Ų | 67 | 124.7 Ų | 124.7 | 69% | 0.691 | 67% | 0.668 | S | S | * | * | trans | -118.1 | 161.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | P182 | P182-G184 PolarHBondContact O-N 3.2Š| ||
| 185 | Q | 90.1 | Very high | 76.5 | Confident | 205 Ų | 205 | 127.1 Ų | 127.1 | 96% | 0.958 | 67% | 0.667 | S | S | * | * | trans | -100.1 | 2.1 | 170 | -64.2 | -178 | 1 | 0 | 0 | 112.1 | Q187 | Q185-Q187 PolarHBondContact O-N 2.7Š| ||
| 186 | E | 88.2 | Confident | 76.8 | Confident | 183 Ų | 183 | 128.9 Ų | 128.9 | 86% | 0.855 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -65 | 133.4 | 179.9 | -63.1 | -171.1 | 174.4 | 0 | 0 | 110 | Y188 | E186-Y188 PolarHBondContact O-N 2.96Š|
| 187 | Q | 85.3 | Confident | 77.8 | Confident | 179 Ų | 179 | 134.3 Ų | 134.3 | 84% | 0.836 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 127.2 | 177.7 | -176.5 | 178.2 | -19.5 | 0 | 0 | 109.3 | Q185 M189 | Q185-Q187 PolarHBondContact O-N 2.7Å; Q187-M189 PolarHBondContact O-N 2.96Å; Q187-M189 VanDerWaalsContact O-N 3.15Å |
| 188 | Y | 83.3 | Confident | 78.8 | Confident | 150 Ų | 150 | 132.3 Ų | 132.3 | 59% | 0.588 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -58 | 119.3 | 175.4 | -173.1 | -102.1 | 0 | 0 | 0 | 110.9 | E186 E194 | E186-Y188 PolarHBondContact O-N 2.96Å; Y188-E194 WeakPolarHBondContact CE1-OE2 2.94Å; Y188-E194 PolarHBondContact OH-OE1 3.48Å; Y188-E194 PolarHBondContact OH-OE2 2.88Å |
| 189 | M | 81.2 | Confident | 79.8 | Confident | 169 Ų | 169 | 135.7 Ų | 135.7 | 83% | 0.833 | 70% | 0.696 | S | S | * | * | trans | -89.4 | 113.4 | 174 | -66 | -153.8 | -173.6 | 0 | 0 | 109.8 | Q187 R191 | Q187-M189 PolarHBondContact O-N 2.96Å; Q187-M189 VanDerWaalsContact O-N 3.15Å; M189-R191 PolarHBondContact O-N 3.2Å | ||
| 190 | F | 77.4 | Confident | 80.7 | Confident | 123 Ų | 123 | 136.8 Ų | 136.8 | 54% | 0.539 | 70% | 0.703 | S | S | . | * | trans | -62.8 | 122 | -177.7 | -161.5 | -75.9 | 0 | 0 | 0 | 111.5 | E194 R195 | F190-E194 HydrophobicContact CE1-CB 3.87Å; F190-E194 VanDerWaalsContact CZ-C 3.48Å; F190-E194 HydrophobicContact CZ-CB 3.9Å; F190-E194 WeakPolarHBondContact CZ-O 3.42Å; F190-R195 HydrophobicContact CD1-CG 3.81Å; F190-R195 HydrophobicContact CE1-CB 3.87Å; F190-R195 HydrophobicContact CE1-CG 3.25Å; F190-R195 VanDerWaalsContact CE1-N 3.29Å; F190-R195 HydrophobicContact CZ-CB 4.48Å; F190-R195 HydrophobicContact CZ-CG 4.18Å | ||
| 191 | R | 78 | Confident | 81.8 | Confident | 160 Ų | 160 | 139.8 Ų | 139.8 | 60% | 0.604 | 71% | 0.712 | S | S | * | * | trans | -82.5 | 138.4 | 177.6 | -67 | -175.5 | 163.5 | 149.5 | -4 | 111.3 | M189 E193 E194 | M189-R191 PolarHBondContact O-N 3.2Å; R191-E193 PolarHBondContact O-N 2.97Å; R191-E193 VanDerWaalsContact O-N 3.1Å; R191-E194 HydrophobicContact CB-CG 4.21Å; R191-E194 WeakPolarHBondContact O-CB 3.17Å; R191-E194 PolarHBondContact O-N 2.91Å | ||
| 192 | P | 74.6 | Confident | 82.6 | Confident | 80 Ų | 80 | 141.8 Ų | 141.8 | 52% | 0.519 | 71% | 0.709 | S | S | . | * | G | 310 helix | trans | -53.2 | -31.5 | 178.8 | -27.1 | 35.4 | 0 | 0 | 0 | 114.4 | E194 R195 | P192-E194 PolarHBondContact O-N 3.12Å; P192-R195 WeakPolarHBondContact O-CB 3.36Å; P192-R195 PolarHBondContact O-N 3.27Å |
| 193 | E | 75.2 | Confident | 83.1 | Confident | 147 Ų | 147 | 138.6 Ų | 138.6 | 69% | 0.687 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -70 | -20.7 | 180 | -61 | 69.5 | -146.9 | 0 | 0 | 112.8 | R191 | R191-E193 PolarHBondContact O-N 2.97Å; R191-E193 VanDerWaalsContact O-N 3.1Å |
| 194 | E | 71.9 | Confident | 83.7 | Confident | 53 Ų | 53 | 133.3 Ų | 133.3 | 25% | 0.248 | 68% | 0.677 | C | S | . | * | G | 310 helix | trans | -91.2 | -7.4 | -179.4 | -67.1 | 165.8 | -164.3 | 0 | 0 | 112.4 | Y188 F190 R191 P192 F196 K197 | Y188-E194 WeakPolarHBondContact CE1-OE2 2.94Å; Y188-E194 PolarHBondContact OH-OE1 3.48Å; Y188-E194 PolarHBondContact OH-OE2 2.88Å; F190-E194 HydrophobicContact CE1-CB 3.87Å; F190-E194 VanDerWaalsContact CZ-C 3.48Å; F190-E194 HydrophobicContact CZ-CB 3.9Å; F190-E194 WeakPolarHBondContact CZ-O 3.42Å; R191-E194 HydrophobicContact CB-CG 4.21Å; R191-E194 WeakPolarHBondContact O-CB 3.17Å; R191-E194 PolarHBondContact O-N 2.91Å; P192-E194 PolarHBondContact O-N 3.12Å; E194-F196 PolarHBondContact O-N 3.15Å; E194-K197 PolarHBondContact O-N 3.12Å |
| 195 | R | 63.2 | Low | 84.2 | Confident | 181 Ų | 181 | 134.1 Ų | 134.1 | 68% | 0.683 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.4 | -12.4 | -169.6 | -87.2 | -162.9 | 178.5 | 162.5 | 2 | 114.8 | F190 P192 | F190-R195 HydrophobicContact CD1-CG 3.81Å; F190-R195 HydrophobicContact CE1-CB 3.87Å; F190-R195 HydrophobicContact CE1-CG 3.25Å; F190-R195 VanDerWaalsContact CE1-N 3.29Å; F190-R195 HydrophobicContact CZ-CB 4.48Å; F190-R195 HydrophobicContact CZ-CG 4.18Å; P192-R195 WeakPolarHBondContact O-CB 3.36Å; P192-R195 PolarHBondContact O-N 3.27Å |
| 196 | F | 65.1 | Low | 84.5 | Confident | 189 Ų | 189 | 125.8 Ų | 125.8 | 83% | 0.829 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | 5 | -170.5 | -56.1 | -73.5 | 0 | 0 | 0 | 113.9 | E194 A198 | E194-F196 PolarHBondContact O-N 3.15Å; F196-A198 PolarHBondContact O-N 2.67Å |
| 197 | K | 80.6 | Confident | 84.9 | Confident | 180 Ų | 180 | 122.7 Ų | 122.7 | 78% | 0.783 | 61% | 0.614 | S | S | * | * | trans | -90 | 104.8 | 174.2 | -64 | -170.2 | -179.1 | -176.1 | 0 | 109.6 | E194 | E194-K197 PolarHBondContact O-N 3.12Š| ||
| 198 | A | 86.3 | Confident | 85.3 | Confident | 88 Ų | 88 | 118.9 Ų | 118.9 | 73% | 0.727 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 147.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110 | F196 | F196-A198 PolarHBondContact O-N 2.67Š|
| 199 | P | 90 | Very high | 85.8 | Confident | 112 Ų | 112 | 113.3 Ų | 113.3 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 151.3 | 173.8 | 27.1 | -34.5 | 0 | 0 | 0 | 110.4 | ||
| 200 | P | 92.8 | Very high | 86.5 | Confident | 126 Ų | 126 | 105.6 Ų | 105.6 | 82% | 0.818 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 145.9 | 178.6 | 26.5 | -34.3 | 0 | 0 | 0 | 110.9 | ||
| 201 | I | 96.5 | Very high | 87.4 | Confident | 161 Ų | 161 | 102.8 Ų | 102.8 | 83% | 0.826 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 136.8 | 176.2 | -59.3 | 170.4 | 0 | 0 | 0 | 108.9 | P203 | I201-P203 VanDerWaalsContact O-CD 3.31Å; I201-P203 WeakPolarHBondContact O-CD 3.5Å |
| 202 | L | 96.3 | Very high | 88.2 | Confident | 102 Ų | 102 | 100.9 Ų | 100.9 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 121.5 | 176.8 | 179 | 66.7 | 0 | 0 | 0 | 110.7 | L206 L207 | L202-L206 HydrophobicContact CD1-CB 4.35Å; L202-L206 HydrophobicContact CD1-CD1 3.94Å; L202-L207 HydrophobicContact CD2-CD2 3.73Å; L202-L207 HydrophobicContact CD2-CG 4.29Å |
| 203 | P | 97.1 | Very high | 89.1 | Confident | 61 Ų | 61 | 101.8 Ų | 101.8 | 40% | 0.396 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 127.8 | 175.5 | -24.4 | 35 | 0 | 0 | 0 | 110.9 | I201 H205 L206 | I201-P203 VanDerWaalsContact O-CD 3.31Å; I201-P203 WeakPolarHBondContact O-CD 3.5Å; P203-H205 PolarHBondContact O-N 3.31Å; P203-L206 PolarHBondContact O-N 3.08Å; P203-L206 VanDerWaalsContact O-N 3.08Å |
| 204 | P | 97.3 | Very high | 89.9 | Confident | 83 Ų | 83 | 102.7 Ų | 102.7 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -64.4 | -19.4 | -174.1 | 24.7 | -34.9 | 0 | 0 | 0 | 113.5 | L206 L207 | P204-L206 PolarHBondContact O-N 3.17Å; P204-L207 WeakPolarHBondContact O-CB 3.4Å; P204-L207 PolarHBondContact O-N 3.2Å; P204-L207 VanDerWaalsContact O-N 3.08Å |
| 205 | H | 97.1 | Very high | 90.8 | Very high | 84 Ų | 84 | 102.9 Ų | 102.9 | 39% | 0.389 | 54% | 0.542 | S | S | . | . | G | 310 helix | trans | -58.9 | -32.9 | 174.5 | -61.6 | 95.2 | 0 | 0 | 0 | 112.9 | P203 L207 Q208 | P203-H205 PolarHBondContact O-N 3.31Å; H205-L207 PolarHBondContact O-N 3.29Å; H205-Q208 PolarHBondContact O-N 3.17Å |
| 206 | L | 97.1 | Very high | 92.1 | Very high | 30 Ų | 30 | 99.7 Ų | 99.7 | 16% | 0.157 | 54% | 0.538 | C | S | . | . | G | 310 helix | trans | -73.1 | -11.3 | 178.7 | -60.1 | -176.3 | 0 | 0 | 0 | 112.9 | L202 P203 P204 Q208 M231 H234 Y236 | L202-L206 HydrophobicContact CD1-CB 4.35Å; L202-L206 HydrophobicContact CD1-CD1 3.94Å; P203-L206 PolarHBondContact O-N 3.08Å; P203-L206 VanDerWaalsContact O-N 3.08Å; P204-L206 PolarHBondContact O-N 3.17Å; L206-Q208 VanDerWaalsContact C-N 3.33Å; L206-M231 HydrophobicContact CD2-CB 4.41Å; L206-H234 HydrophobicContact CD2-CB 4.43Å; L206-Y236 WeakPolarHBondContact O-CE1 3.28Å; L206-Y236 PolarHBondContact O-OH 3.14Å |
| 207 | L | 96.5 | Very high | 93.4 | Very high | 119 Ų | 119 | 98.9 Ų | 98.9 | 62% | 0.623 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -83.4 | -12.3 | 174.4 | -58.1 | 175.1 | 0 | 0 | 0 | 112.3 | L202 P204 H205 V209 | L202-L207 HydrophobicContact CD2-CD2 3.73Å; L202-L207 HydrophobicContact CD2-CG 4.29Å; P204-L207 WeakPolarHBondContact O-CB 3.4Å; P204-L207 PolarHBondContact O-N 3.2Å; P204-L207 VanDerWaalsContact O-N 3.08Å; H205-L207 PolarHBondContact O-N 3.29Å; L207-V209 VanDerWaalsContact C-N 3.33Å; L207-V209 PolarHBondContact O-N 3.39Å; L207-V209 VanDerWaalsContact O-N 3.08Å |
| 208 | Q | 93.9 | Very high | 94 | Very high | 99 Ų | 99 | 95.1 Ų | 95.1 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | trans | -86.7 | 64.6 | -177 | -61.1 | -175.1 | 5.5 | 0 | 0 | 112.3 | H205 L206 I210 M231 | H205-Q208 PolarHBondContact O-N 3.17Å; L206-Q208 VanDerWaalsContact C-N 3.33Å; Q208-I210 PolarHBondContact O-N 3.37Å; Q208-M231 WeakPolarHBondContact O-CE 2.98Å | ||
| 209 | V | 94.9 | Very high | 94.3 | Very high | 33 Ų | 33 | 93.4 Ų | 93.4 | 20% | 0.2 | 52% | 0.519 | C | S | . | . | trans | -58 | 119.4 | -176.4 | -171.5 | 0 | 0 | 0 | 0 | 111.7 | L207 L211 N212 Y236 | L207-V209 VanDerWaalsContact C-N 3.33Å; L207-V209 PolarHBondContact O-N 3.39Å; L207-V209 VanDerWaalsContact O-N 3.08Å; V209-L211 VanDerWaalsContact C-N 3.32Å; V209-L211 HydrophobicContact CG1-CB 4.39Å; V209-L211 PolarHBondContact O-N 3.4Å; V209-N212 HydrophobicContact CB-CB 4.13Å; V209-N212 HydrophobicContact CG1-CB 4.44Å; V209-N212 PolarHBondContact O-N 3.44Å; V209-Y236 HydrophobicContact CB-CD1 4.42Å; V209-Y236 HydrophobicContact CB-CE1 4.42Å; V209-Y236 HydrophobicContact CG1-CD1 4.05Å; V209-Y236 HydrophobicContact CG1-CE1 4.44Å; V209-Y236 HydrophobicContact CG1-CG 4.43Å; V209-Y236 HydrophobicContact CG2-CD1 3.79Å; V209-Y236 HydrophobicContact CG2-CE1 3.76Å | ||
| 210 | I | 95.6 | Very high | 94.6 | Very high | 6 Ų | 6 | 92.6 Ų | 92.6 | 3% | 0.031 | 51% | 0.508 | C | S | . | . | G | 310 helix | trans | -64.5 | -34.4 | -176.5 | -171.9 | 166 | 0 | 0 | 0 | 113.1 | Q208 N212 K213 L224 P225 P227 M231 | Q208-I210 PolarHBondContact O-N 3.37Å; I210-N212 PolarHBondContact O-N 3.12Å; I210-K213 PolarHBondContact O-N 3.41Å; I210-L224 HydrophobicContact CD1-CB 4.05Å; I210-L224 HydrophobicContact CG1-CB 4.36Å; I210-P225 HydrophobicContact CD1-CG 4.29Å; I210-P225 VanDerWaalsContact CD1-O 3.23Å; I210-P225 WeakPolarHBondContact CD1-O 3.5Å; I210-P225 HydrophobicContact CG1-CG 4.04Å; I210-P227 HydrophobicContact CD1-CB 3.94Å; I210-M231 HydrophobicContact CB-CE 4.36Å; I210-M231 HydrophobicContact CB-SD 4.28Å; I210-M231 HydrophobicContact CG2-SD 4.44Å |
| 211 | L | 95.9 | Very high | 94.6 | Very high | 64 Ų | 64 | 92.4 Ų | 92.4 | 34% | 0.335 | 51% | 0.507 | S | S | . | . | G | 310 helix | trans | -73.9 | -14 | 179 | -65.1 | 176.1 | 0 | 0 | 0 | 113.4 | V209 L224 T259 L261 | V209-L211 VanDerWaalsContact C-N 3.32Å; V209-L211 HydrophobicContact CG1-CB 4.39Å; V209-L211 PolarHBondContact O-N 3.4Å; L211-L224 HydrophobicContact CD2-CD1 3.92Å; L211-L224 HydrophobicContact CD2-CD2 4.22Å; L211-T259 HydrophobicContact CD1-CG2 3.99Å; L211-T259 HydrophobicContact CD2-CG2 3.91Å; L211-T259 HydrophobicContact CG-CG2 4.06Å; L211-L261 HydrophobicContact CD1-CD1 4.02Å; L211-L261 HydrophobicContact CD1-CD2 4.38Å; L211-L261 HydrophobicContact CD1-CG 4.27Å; L211-L261 HydrophobicContact CD2-CD1 4.39Å |
| 212 | N | 95 | Very high | 94.6 | Very high | 121 Ų | 121 | 88.6 Ų | 88.6 | 65% | 0.647 | 50% | 0.5 | S | S | * | . | G | 310 helix | trans | -93 | 1.5 | 175.5 | -66 | -5.2 | 0 | 0 | 0 | 112.3 | V209 I210 | V209-N212 HydrophobicContact CB-CB 4.13Å; V209-N212 HydrophobicContact CG1-CB 4.44Å; V209-N212 PolarHBondContact O-N 3.44Å; I210-N212 PolarHBondContact O-N 3.12Å |
| 213 | K | 92.7 | Very high | 94.5 | Very high | 99 Ų | 99 | 88.5 Ų | 88.5 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -90.2 | 130.8 | 177.6 | -64.8 | -175.8 | 178.8 | -178 | 0 | 109.5 | I210 P225 | I210-K213 PolarHBondContact O-N 3.41Å; K213-P225 HydrophobicContact CD-CG 4.29Å |
| 214 | D | 91.9 | Very high | 94.5 | Very high | 165 Ų | 165 | 89 Ų | 89 | 88% | 0.882 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 135.5 | 172.2 | -62.5 | -47.8 | 0 | 0 | 0 | 110.6 | ||
| 215 | T | 91.8 | Very high | 94.4 | Very high | 58 Ų | 58 | 87.5 Ų | 87.5 | 36% | 0.356 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -99 | 156.9 | 170.5 | 55.5 | 0 | 0 | 0 | 0 | 110 | I217 L223 | T215-I217 PolarHBondContact O-N 3.1Å; T215-L223 WeakPolarHBondContact CG2-O 3.23Å |
| 216 | N | 89.9 | Confident | 94.4 | Very high | 113 Ų | 113 | 90.9 Ų | 90.9 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 132.4 | 178.8 | -171.7 | -20.3 | 0 | 0 | 0 | 109.7 | S218 C219 | N216-S218 VanDerWaalsContact CG-OG 3.3Å; N216-S218 PolarHBondContact ND2-OG 3.13Å; N216-S218 PolarHBondContact O-N 3.16Å; N216-S218 PolarHBondContact OD1-N 3.41Å; N216-S218 VanDerWaalsContact OD1-N 3.13Å; N216-S218 PolarHBondContact OD1-OG 3.38Å; N216-C219 PolarHBondContact O-N 3.12Å; N216-C219 PolarHBondContact O-SG 3.25Å |
| 217 | I | 91.3 | Very high | 94.4 | Very high | 173 Ų | 173 | 90.1 Ų | 90.1 | 89% | 0.887 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -21.8 | 179.9 | -58.5 | 155.2 | 0 | 0 | 0 | 112.1 | T215 | T215-I217 PolarHBondContact O-N 3.1Š|
| 218 | S | 94.1 | Very high | 94.4 | Very high | 101 Ų | 101 | 87.4 Ų | 87.4 | 71% | 0.706 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -13 | 178 | 70.2 | 0 | 0 | 0 | 0 | 115.3 | N216 | N216-S218 VanDerWaalsContact CG-OG 3.3Å; N216-S218 PolarHBondContact ND2-OG 3.13Å; N216-S218 PolarHBondContact O-N 3.16Å; N216-S218 PolarHBondContact OD1-N 3.41Å; N216-S218 VanDerWaalsContact OD1-N 3.13Å; N216-S218 PolarHBondContact OD1-OG 3.38Å |
| 219 | C | 92.7 | Very high | 94.6 | Very high | 51 Ų | 51 | 88.7 Ų | 88.7 | 35% | 0.345 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -97.7 | 164.8 | -178.7 | 68.2 | 0 | 0 | 0 | 0 | 112.7 | N216 | N216-C219 PolarHBondContact O-N 3.12Å; N216-C219 PolarHBondContact O-SG 3.25Å |
| 220 | D | 95.4 | Very high | 94.7 | Very high | 95 Ų | 95 | 89.8 Ų | 89.8 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | trans | -58.5 | 128.9 | 174 | 178.8 | -20.8 | 0 | 0 | 0 | 110.3 | A222 L223 | D220-A222 PolarHBondContact O-N 3.24Å; D220-A222 VanDerWaalsContact O-N 3.14Å; D220-A222 WeakPolarHBondContact OD1-CB 3.39Å; D220-A222 PolarHBondContact OD1-N 3.12Å; D220-L223 HydrophobicContact CB-CD1 3.83Å; D220-L223 HydrophobicContact CB-CG 3.91Å; D220-L223 WeakPolarHBondContact O-CB 3.43Å; D220-L223 PolarHBondContact O-N 3.45Å | ||
| 221 | P | 94.4 | Very high | 94.8 | Very high | 122 Ų | 122 | 89.8 Ų | 89.8 | 79% | 0.792 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22.1 | 179.6 | -25.5 | 34.6 | 0 | 0 | 0 | 115.5 | L223 | P221-L223 VanDerWaalsContact C-N 3.29Š|
| 222 | A | 95 | Very high | 94.8 | Very high | 82 Ų | 82 | 87.3 Ų | 87.3 | 68% | 0.678 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -10.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D220 | D220-A222 PolarHBondContact O-N 3.24Å; D220-A222 VanDerWaalsContact O-N 3.14Å; D220-A222 WeakPolarHBondContact OD1-CB 3.39Å; D220-A222 PolarHBondContact OD1-N 3.12Å |
| 223 | L | 95.8 | Very high | 94.9 | Very high | 99 Ų | 99 | 87.3 Ų | 87.3 | 52% | 0.518 | 49% | 0.487 | S | S | . | . | trans | -84.7 | 131.6 | 178.9 | -64.6 | 175.9 | 0 | 0 | 0 | 111.2 | T215 D220 P221 | T215-L223 WeakPolarHBondContact CG2-O 3.23Å; D220-L223 HydrophobicContact CB-CD1 3.83Å; D220-L223 HydrophobicContact CB-CG 3.91Å; D220-L223 WeakPolarHBondContact O-CB 3.43Å; D220-L223 PolarHBondContact O-N 3.45Å; P221-L223 VanDerWaalsContact C-N 3.29Å | ||
| 224 | L | 96.3 | Very high | 95.2 | Very high | 71 Ų | 71 | 86.3 Ų | 86.3 | 37% | 0.372 | 48% | 0.484 | S | S | . | . | trans | -112.9 | 154.3 | 173.9 | -65.4 | 175.2 | 0 | 0 | 0 | 109.7 | I210 L211 T259 | I210-L224 HydrophobicContact CD1-CB 4.05Å; I210-L224 HydrophobicContact CG1-CB 4.36Å; L211-L224 HydrophobicContact CD2-CD1 3.92Å; L211-L224 HydrophobicContact CD2-CD2 4.22Å; L224-T259 HydrophobicContact CD1-CG2 4.33Å; L224-T259 WeakPolarHBondContact CD1-OG1 3.44Å | ||
| 225 | P | 95.5 | Very high | 95.5 | Very high | 52 Ų | 52 | 84.1 Ų | 84.1 | 34% | 0.338 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 164.6 | 172.2 | 28 | -35.3 | 0 | 0 | 0 | 111.4 | I210 K213 P227 | I210-P225 HydrophobicContact CD1-CG 4.29Å; I210-P225 VanDerWaalsContact CD1-O 3.23Å; I210-P225 WeakPolarHBondContact CD1-O 3.5Å; I210-P225 HydrophobicContact CG1-CG 4.04Å; K213-P225 HydrophobicContact CD-CG 4.29Å; P225-P227 WeakPolarHBondContact O-CD 3.45Å |
| 226 | E | 96.4 | Very high | 95.8 | Very high | 156 Ų | 156 | 83 Ų | 83 | 73% | 0.729 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 124.8 | 176.5 | -172.1 | 172.5 | -175.4 | 0 | 0 | 111 | Y257 | E226-Y257 HydrophobicContact CG-CE2 3.98Š|
| 227 | P | 97.3 | Very high | 96.1 | Very high | 14 Ų | 14 | 80.8 Ų | 80.8 | 9% | 0.091 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 152.7 | 177.9 | 31 | -35 | 0 | 0 | 0 | 111.6 | I210 P225 M231 L232 T250 Y257 | I210-P227 HydrophobicContact CD1-CB 3.94Å; P225-P227 WeakPolarHBondContact O-CD 3.45Å; P227-M231 HydrophobicContact CB-CG 4.25Å; P227-M231 HydrophobicContact CB-SD 3.76Å; P227-L232 HydrophobicContact CB-CD2 4.14Å; P227-L232 HydrophobicContact CG-CD2 3.93Å; P227-T250 HydrophobicContact CB-CG2 4.35Å; P227-T250 HydrophobicContact CG-CG2 4.1Å; P227-Y257 HydrophobicContact CG-CD1 3.73Å; P227-Y257 HydrophobicContact CG-CD2 3.95Å; P227-Y257 HydrophobicContact CG-CE1 4.23Å; P227-Y257 HydrophobicContact CG-CE2 4.42Å; P227-Y257 HydrophobicContact CG-CG 3.56Å |
| 228 | N | 97 | Very high | 96.4 | Very high | 61 Ų | 61 | 77.8 Ų | 77.8 | 33% | 0.326 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 137.4 | 166.9 | -170.8 | -33.5 | 0 | 0 | 0 | 109.6 | V230 M231 | N228-V230 PolarHBondContact O-N 3.12Å; N228-V230 VanDerWaalsContact O-N 3.11Å; N228-V230 PolarHBondContact OD1-N 3.18Å; N228-M231 HydrophobicContact CB-CG 4.44Å; N228-M231 WeakPolarHBondContact O-CG 3.39Å; N228-M231 PolarHBondContact O-N 2.76Å; N228-M231 VanDerWaalsContact O-N 3.12Å |
| 229 | H | 97.3 | Very high | 96.5 | Very high | 127 Ų | 127 | 78 Ų | 78 | 59% | 0.588 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -56.9 | -29.8 | -178.7 | 69.4 | -86.8 | 0 | 0 | 0 | 113.6 | M231 L232 R252 | H229-M231 VanDerWaalsContact C-N 3.32Å; H229-M231 PolarHBondContact O-N 2.83Å; H229-L232 WeakPolarHBondContact O-CB 3.45Å; H229-L232 WeakPolarHBondContact O-CG 3.46Å; H229-L232 PolarHBondContact O-N 3.11Å; H229-R252 VanDerWaalsContact CB-NH2 3.33Å |
| 230 | V | 97.5 | Very high | 96.7 | Very high | 56 Ų | 56 | 80 Ų | 80 | 34% | 0.339 | 45% | 0.452 | S | S | . | . | G | 310 helix | trans | -69.2 | -26.1 | -178.9 | -178.8 | 0 | 0 | 0 | 0 | 112.9 | N228 H234 | N228-V230 PolarHBondContact O-N 3.12Å; N228-V230 VanDerWaalsContact O-N 3.11Å; N228-V230 PolarHBondContact OD1-N 3.18Å; V230-H234 PolarHBondContact O-CD2 2.99Å; V230-H234 PolarHBondContact O-NE2 2.9Å |
| 231 | M | 96.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 82.8 Ų | 82.8 | 3% | 0.025 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -86.8 | -6.5 | -179.8 | 62.3 | 144.6 | 42.2 | 0 | 0 | 114.1 | L206 Q208 I210 P227 N228 H229 H234 | L206-M231 HydrophobicContact CD2-CB 4.41Å; Q208-M231 WeakPolarHBondContact O-CE 2.98Å; I210-M231 HydrophobicContact CB-CE 4.36Å; I210-M231 HydrophobicContact CB-SD 4.28Å; I210-M231 HydrophobicContact CG2-SD 4.44Å; P227-M231 HydrophobicContact CB-CG 4.25Å; P227-M231 HydrophobicContact CB-SD 3.76Å; N228-M231 HydrophobicContact CB-CG 4.44Å; N228-M231 WeakPolarHBondContact O-CG 3.39Å; N228-M231 PolarHBondContact O-N 2.76Å; N228-M231 VanDerWaalsContact O-N 3.12Å; H229-M231 VanDerWaalsContact C-N 3.32Å; H229-M231 PolarHBondContact O-N 2.83Å; M231-H234 PolarHBondContact O-N 2.83Å |
| 232 | L | 97.3 | Very high | 96.7 | Very high | 13 Ų | 13 | 84.8 Ų | 84.8 | 7% | 0.068 | 46% | 0.463 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 149.1 | 179.5 | -57.4 | 177.5 | 0 | 0 | 0 | 110.1 | P227 H229 H234 T250 R252 Y257 | P227-L232 HydrophobicContact CB-CD2 4.14Å; P227-L232 HydrophobicContact CG-CD2 3.93Å; H229-L232 WeakPolarHBondContact O-CB 3.45Å; H229-L232 WeakPolarHBondContact O-CG 3.46Å; H229-L232 PolarHBondContact O-N 3.11Å; L232-H234 PolarHBondContact O-CD2 3.34Å; L232-H234 VanDerWaalsContact O-CD2 3.31Å; L232-H234 PolarHBondContact O-N 2.87Å; L232-H234 VanDerWaalsContact O-N 3.11Å; L232-T250 WeakPolarHBondContact CA-O 3.47Å; L232-T250 HydrophobicContact CD2-CG2 3.51Å; L232-R252 HydrophobicContact CD1-CB 4.18Å; L232-Y257 HydrophobicContact CD1-CD1 4.07Å; L232-Y257 HydrophobicContact CD1-CE1 3.81Å; L232-Y257 HydrophobicContact CD2-CD1 4.02Å; L232-Y257 HydrophobicContact CD2-CE1 4.48Å |
| 233 | N | 97.4 | Very high | 96.7 | Very high | 121 Ų | 121 | 83 Ų | 83 | 65% | 0.647 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 4.8 | -177.1 | -45.7 | -34.8 | 0 | 0 | 0 | 115 | T250 H251 | N233-T250 PolarHBondContact N-O 3.14Å; N233-H251 PolarHBondContact OD1-CD2 3.45Å |
| 234 | H | 98.1 | Very high | 96.8 | Very high | 77 Ų | 77 | 80.5 Ų | 80.5 | 36% | 0.356 | 44% | 0.441 | S | S | . | . | trans | -86.8 | 137.8 | 170 | -70.4 | -89.1 | 0 | 0 | 0 | 111.1 | L206 V230 M231 L232 Y236 | L206-H234 HydrophobicContact CD2-CB 4.43Å; V230-H234 PolarHBondContact O-CD2 2.99Å; V230-H234 PolarHBondContact O-NE2 2.9Å; M231-H234 PolarHBondContact O-N 2.83Å; L232-H234 PolarHBondContact O-CD2 3.34Å; L232-H234 VanDerWaalsContact O-CD2 3.31Å; L232-H234 PolarHBondContact O-N 2.87Å; L232-H234 VanDerWaalsContact O-N 3.11Å; H234-Y236 HydrophobicContact CB-CE2 4.21Å | ||
| 235 | L | 98.1 | Very high | 96.8 | Very high | 120 Ų | 120 | 80.2 Ų | 80.2 | 63% | 0.628 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 126.4 | 177.8 | -172.2 | 71.8 | 0 | 0 | 0 | 110.4 | L247 | L235-L247 HydrophobicContact CD1-CB 4.15Å; L235-L247 HydrophobicContact CD1-CD2 4.41Å; L235-L247 HydrophobicContact CD2-CD2 4.29Å |
| 236 | Y | 97.9 | Very high | 97 | Very high | 33 Ų | 33 | 78.6 Ų | 78.6 | 13% | 0.129 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 135.6 | 168.4 | -63.4 | -88.4 | 0 | 0 | 0 | 109.1 | L206 V209 H234 S248 | L206-Y236 WeakPolarHBondContact O-CE1 3.28Å; L206-Y236 PolarHBondContact O-OH 3.14Å; V209-Y236 HydrophobicContact CB-CD1 4.42Å; V209-Y236 HydrophobicContact CB-CE1 4.42Å; V209-Y236 HydrophobicContact CG1-CD1 4.05Å; V209-Y236 HydrophobicContact CG1-CE1 4.44Å; V209-Y236 HydrophobicContact CG1-CG 4.43Å; V209-Y236 HydrophobicContact CG2-CD1 3.79Å; V209-Y236 HydrophobicContact CG2-CE1 3.76Å; H234-Y236 HydrophobicContact CB-CE2 4.21Å; Y236-S248 WeakPolarHBondContact CB-OG 3.5Å; Y236-S248 PolarHBondContact N-O 3.06Å; Y236-S248 PolarHBondContact O-N 2.92Å; Y236-S248 PolarHBondContact O-OG 2.84Å |
| 237 | A | 97.5 | Very high | 97 | Very high | 68 Ų | 68 | 73.1 Ų | 73.1 | 56% | 0.562 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 143.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | V246 L247 | A237-V246 WeakPolarHBondContact CA-O 3.42Å; A237-L247 HydrophobicContact CB-CD2 3.66Å |
| 238 | L | 96.5 | Very high | 97.1 | Very high | 109 Ų | 109 | 73.1 Ų | 73.1 | 57% | 0.571 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -85.3 | 154.7 | 164.4 | -67.4 | 175.5 | 0 | 0 | 0 | 109.8 | I240 V246 | L238-I240 PolarHBondContact O-N 3Å; L238-V246 HydrophobicContact CB-CB 4.28Å; L238-V246 HydrophobicContact CD1-CB 4.31Å; L238-V246 HydrophobicContact CD1-CG1 4.28Å; L238-V246 PolarHBondContact N-O 3.1Å; L238-V246 VanDerWaalsContact N-O 3.12Å |
| 239 | S | 96.8 | Very high | 97.1 | Very high | 105 Ų | 105 | 70.9 Ų | 70.9 | 73% | 0.734 | 39% | 0.394 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 130.9 | 168 | -54 | 0 | 0 | 0 | 0 | 109.7 | K241 | S239-K241 PolarHBondContact O-N 2.97Š|
| 240 | I | 96.3 | Very high | 97.2 | Very high | 94 Ų | 94 | 64.9 Ų | 64.9 | 48% | 0.482 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 131.5 | 178.8 | -64.3 | 159.2 | 0 | 0 | 0 | 109.4 | L238 M245 I266 | L238-I240 PolarHBondContact O-N 3Å; I240-M245 HydrophobicContact CD1-CE 4.28Å; I240-M245 HydrophobicContact CG1-CB 4.39Å; I240-M245 HydrophobicContact CG1-CG 4.43Å; I240-I266 HydrophobicContact CB-CD1 4.25Å; I240-I266 HydrophobicContact CD1-CD1 3.49Å; I240-I266 VanDerWaalsContact CD1-CD1 3.49Å; I240-I266 HydrophobicContact CG1-CD1 3.79Å; I240-I266 HydrophobicContact CG2-CD1 3.44Å; I240-I266 VanDerWaalsContact CG2-CD1 3.44Å |
| 241 | K | 95 | Very high | 97.2 | Very high | 154 Ų | 154 | 66.4 Ų | 66.4 | 67% | 0.67 | 37% | 0.369 | S | S | * | . | B | Isolated β-bridge | trans | -139.1 | 144 | 175.6 | -69.8 | -177.2 | -179.4 | -179.8 | 0 | 109.1 | S239 G243 V244 | S239-K241 PolarHBondContact O-N 2.97Å; K241-G243 PolarHBondContact O-N 3.25Å; K241-G243 VanDerWaalsContact O-N 3.14Å; K241-V244 PolarHBondContact N-O 3Å; K241-V244 PolarHBondContact O-N 3.42Å |
| 242 | D | 95.1 | Very high | 97.3 | Very high | 164 Ų | 164 | 71.9 Ų | 71.9 | 88% | 0.877 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 35.9 | 175.9 | -52.5 | -41.9 | 0 | 0 | 0 | 114.5 | V244 | D242-V244 PolarHBondContact O-N 3.4Š|
| 243 | G | 95.3 | Very high | 97.3 | Very high | 43 Ų | 43 | 78.6 Ų | 78.6 | 44% | 0.443 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72 | 11.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | K241 P265 I266 | K241-G243 PolarHBondContact O-N 3.25Å; K241-G243 VanDerWaalsContact O-N 3.14Å; G243-P265 WeakPolarHBondContact O-CA 3.42Å; G243-I266 PolarHBondContact O-N 3.33Å |
| 244 | V | 97.3 | Very high | 97.3 | Very high | 47 Ų | 47 | 80.9 Ų | 80.9 | 29% | 0.285 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.8 | -179.7 | -177 | 0 | 0 | 0 | 0 | 110.8 | K241 D242 V246 Y263 | K241-V244 PolarHBondContact N-O 3Å; K241-V244 PolarHBondContact O-N 3.42Å; D242-V244 PolarHBondContact O-N 3.4Å; V244-V246 HydrophobicContact CG1-CG2 4.4Å; V244-Y263 HydrophobicContact CG1-CD1 4.08Å |
| 245 | M | 97.3 | Very high | 97.3 | Very high | 65 Ų | 65 | 86.6 Ų | 86.6 | 32% | 0.32 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 134.2 | 168.1 | -173.5 | -176 | -67 | 0 | 0 | 109.8 | I240 L247 Y263 K264 I266 | I240-M245 HydrophobicContact CD1-CE 4.28Å; I240-M245 HydrophobicContact CG1-CB 4.39Å; I240-M245 HydrophobicContact CG1-CG 4.43Å; M245-L247 HydrophobicContact CG-CD2 4.06Å; M245-L247 HydrophobicContact CG-CG 4.03Å; M245-L247 HydrophobicContact SD-CD1 3.89Å; M245-L247 HydrophobicContact SD-CD2 3.97Å; M245-L247 HydrophobicContact SD-CG 3.93Å; M245-Y263 WeakPolarHBondContact O-CA 3.4Å; M245-K264 PolarHBondContact N-O 2.95Å; M245-K264 PolarHBondContact O-N 3.47Å; M245-I266 HydrophobicContact CB-CD1 4.05Å; M245-I266 HydrophobicContact CB-CG1 4.04Å; M245-I266 HydrophobicContact CE-CD1 4.18Å; M245-I266 HydrophobicContact CE-CG1 4.49Å |
| 246 | V | 98 | Very high | 97.3 | Very high | 18 Ų | 18 | 88.6 Ų | 88.6 | 11% | 0.109 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 116.3 | 175.1 | -169.6 | 0 | 0 | 0 | 0 | 109.3 | A237 L238 V244 L262 Y263 | A237-V246 WeakPolarHBondContact CA-O 3.42Å; L238-V246 HydrophobicContact CB-CB 4.28Å; L238-V246 HydrophobicContact CD1-CB 4.31Å; L238-V246 HydrophobicContact CD1-CG1 4.28Å; L238-V246 PolarHBondContact N-O 3.1Å; L238-V246 VanDerWaalsContact N-O 3.12Å; V244-V246 HydrophobicContact CG1-CG2 4.4Å; V246-L262 WeakPolarHBondContact CA-O 3.47Å; V246-Y263 HydrophobicContact CB-CD1 4.41Å; V246-Y263 HydrophobicContact CB-CE1 4.25Å; V246-Y263 HydrophobicContact CG1-CD1 4.2Å; V246-Y263 HydrophobicContact CG1-CD2 4.38Å; V246-Y263 HydrophobicContact CG1-CE1 3.8Å; V246-Y263 HydrophobicContact CG1-CE2 4Å; V246-Y263 HydrophobicContact CG1-CG 4.46Å; V246-Y263 HydrophobicContact CG2-CD1 3.48Å; V246-Y263 VanDerWaalsContact CG2-CD1 3.48Å; V246-Y263 HydrophobicContact CG2-CE1 3.39Å; V246-Y263 HydrophobicContact CG2-CG 4.32Å |
| 247 | L | 98 | Very high | 97.3 | Very high | 42 Ų | 42 | 90.3 Ų | 90.3 | 22% | 0.22 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 148.3 | 178.9 | -61.7 | -179.1 | 0 | 0 | 0 | 110 | L235 A237 M245 L261 L262 | L235-L247 HydrophobicContact CD1-CB 4.15Å; L235-L247 HydrophobicContact CD1-CD2 4.41Å; L235-L247 HydrophobicContact CD2-CD2 4.29Å; A237-L247 HydrophobicContact CB-CD2 3.66Å; M245-L247 HydrophobicContact CG-CD2 4.06Å; M245-L247 HydrophobicContact CG-CG 4.03Å; M245-L247 HydrophobicContact SD-CD1 3.89Å; M245-L247 HydrophobicContact SD-CD2 3.97Å; M245-L247 HydrophobicContact SD-CG 3.93Å; L247-L261 CarbonylContact O-C 3.56Å; L247-L261 WeakPolarHBondContact O-CA 3.39Å; L247-L262 PolarHBondContact N-O 2.81Å; L247-L262 PolarHBondContact O-N 3.23Å |
| 248 | S | 98.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 90.7 Ų | 90.7 | 10% | 0.098 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 149.8 | 174.9 | 66.4 | 0 | 0 | 0 | 0 | 111.9 | Y236 S260 | Y236-S248 WeakPolarHBondContact CB-OG 3.5Å; Y236-S248 PolarHBondContact N-O 3.06Å; Y236-S248 PolarHBondContact O-N 2.92Å; Y236-S248 PolarHBondContact O-OG 2.84Å; S248-S260 WeakPolarHBondContact CA-O 3.4Å; S248-S260 WeakPolarHBondContact CB-O 3.41Å |
| 249 | A | 98.3 | Very high | 97.4 | Very high | 14 Ų | 14 | 86.9 Ų | 86.9 | 12% | 0.116 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 145.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S260 | A249-S260 PolarHBondContact N-O 2.87Å; A249-S260 PolarHBondContact O-N 2.91Å |
| 250 | T | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 85 Ų | 85 | 1% | 0.006 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 122.8 | 175.5 | -52.2 | 0 | 0 | 0 | 0 | 109.7 | P227 L232 N233 V258 T259 | P227-T250 HydrophobicContact CB-CG2 4.35Å; P227-T250 HydrophobicContact CG-CG2 4.1Å; L232-T250 WeakPolarHBondContact CA-O 3.47Å; L232-T250 HydrophobicContact CD2-CG2 3.51Å; N233-T250 PolarHBondContact N-O 3.14Å; T250-V258 WeakPolarHBondContact CA-O 3.37Å; T250-T259 WeakPolarHBondContact CG2-OG1 3.47Å; T250-T259 PolarHBondContact OG1-OG1 2.99Å |
| 251 | H | 98.4 | Very high | 97.6 | Very high | 88 Ų | 88 | 84.6 Ų | 84.6 | 41% | 0.407 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 149.9 | 179.3 | -63.1 | 94.3 | 0 | 0 | 0 | 110.8 | N233 Y257 V258 | N233-H251 PolarHBondContact OD1-CD2 3.45Å; H251-Y257 WeakPolarHBondContact O-CA 3.49Å; H251-V258 PolarHBondContact N-O 3.23Å; H251-V258 PolarHBondContact O-N 3.3Å |
| 252 | R | 98.3 | Very high | 97.7 | Very high | 120 Ų | 120 | 82 Ų | 82 | 45% | 0.453 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 128.3 | 174.1 | -169 | -174.5 | -55.2 | -119.9 | -0.8 | 109.7 | H229 L232 K254 K256 Y257 | H229-R252 VanDerWaalsContact CB-NH2 3.33Å; L232-R252 HydrophobicContact CD1-CB 4.18Å; R252-K254 WeakPolarHBondContact CG-O 3.45Å; R252-K256 CarbonylContact C-O 3.55Å; R252-K256 WeakPolarHBondContact CA-O 3.2Å; R252-Y257 HydrophobicContact CB-CD1 4.18Å; R252-Y257 HydrophobicContact CB-CE1 4.3Å; R252-Y257 HydrophobicContact CG-CD1 4.1Å; R252-Y257 HydrophobicContact CG-CE1 3.9Å; R252-Y257 PolarHBondContact NH1-OH 2.85Å; R252-Y257 VanDerWaalsContact NH1-OH 3.1Å |
| 253 | Y | 97.9 | Very high | 97.9 | Very high | 153 Ų | 153 | 81.2 Ų | 81.2 | 60% | 0.6 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 109.3 | 167.7 | -179.5 | -99.1 | 0 | 0 | 0 | 109.1 | K255 K256 | Y253-K255 PolarHBondContact O-N 3.14Å; Y253-K255 VanDerWaalsContact O-N 3.1Å; Y253-K256 PolarHBondContact N-O 2.97Å; Y253-K256 PolarHBondContact O-N 2.97Å |
| 254 | K | 96.9 | Very high | 98 | Very high | 169 Ų | 169 | 85.3 Ų | 85.3 | 74% | 0.735 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | -112.8 | -170.4 | -57.2 | 179.7 | 178.4 | -180 | 0 | 110.7 | R252 | R252-K254 WeakPolarHBondContact CG-O 3.45Š|
| 255 | K | 97.8 | Very high | 97.9 | Very high | 198 Ų | 198 | 87.9 Ų | 87.9 | 86% | 0.861 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.3 | 10.9 | 178.5 | -61.3 | -173 | 177.9 | -177.2 | 0 | 113.2 | Y253 | Y253-K255 PolarHBondContact O-N 3.14Å; Y253-K255 VanDerWaalsContact O-N 3.1Å |
| 256 | K | 97.9 | Very high | 97.6 | Very high | 161 Ų | 161 | 92.1 Ų | 92.1 | 70% | 0.7 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 158.8 | -180 | -60.8 | -168.8 | 178.9 | -169.9 | 0 | 110.8 | R252 Y253 | R252-K256 CarbonylContact C-O 3.55Å; R252-K256 WeakPolarHBondContact CA-O 3.2Å; Y253-K256 PolarHBondContact N-O 2.97Å; Y253-K256 PolarHBondContact O-N 2.97Å |
| 257 | Y | 98.5 | Very high | 97.6 | Very high | 69 Ų | 69 | 95.8 Ų | 95.8 | 27% | 0.271 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 139.1 | 178.7 | -52.2 | -78.4 | 0 | 0 | 0 | 109.8 | E226 P227 L232 H251 R252 | E226-Y257 HydrophobicContact CG-CE2 3.98Å; P227-Y257 HydrophobicContact CG-CD1 3.73Å; P227-Y257 HydrophobicContact CG-CD2 3.95Å; P227-Y257 HydrophobicContact CG-CE1 4.23Å; P227-Y257 HydrophobicContact CG-CE2 4.42Å; P227-Y257 HydrophobicContact CG-CG 3.56Å; L232-Y257 HydrophobicContact CD1-CD1 4.07Å; L232-Y257 HydrophobicContact CD1-CE1 3.81Å; L232-Y257 HydrophobicContact CD2-CD1 4.02Å; L232-Y257 HydrophobicContact CD2-CE1 4.48Å; H251-Y257 WeakPolarHBondContact O-CA 3.49Å; R252-Y257 HydrophobicContact CB-CD1 4.18Å; R252-Y257 HydrophobicContact CB-CE1 4.3Å; R252-Y257 HydrophobicContact CG-CD1 4.1Å; R252-Y257 HydrophobicContact CG-CE1 3.9Å; R252-Y257 PolarHBondContact NH1-OH 2.85Å; R252-Y257 VanDerWaalsContact NH1-OH 3.1Å |
| 258 | V | 98.3 | Very high | 97.5 | Very high | 77 Ų | 77 | 98.6 Ų | 98.6 | 47% | 0.467 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 123.6 | 178.2 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | T250 H251 | T250-V258 WeakPolarHBondContact CA-O 3.37Å; H251-V258 PolarHBondContact N-O 3.23Å; H251-V258 PolarHBondContact O-N 3.3Å |
| 259 | T | 98.4 | Very high | 97.5 | Very high | 28 Ų | 28 | 103.3 Ų | 103.3 | 17% | 0.172 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 108.5 | 171.2 | -56.9 | 0 | 0 | 0 | 0 | 108.4 | L211 L224 T250 L261 | L211-T259 HydrophobicContact CD1-CG2 3.99Å; L211-T259 HydrophobicContact CD2-CG2 3.91Å; L211-T259 HydrophobicContact CG-CG2 4.06Å; L224-T259 HydrophobicContact CD1-CG2 4.33Å; L224-T259 WeakPolarHBondContact CD1-OG1 3.44Å; T250-T259 WeakPolarHBondContact CG2-OG1 3.47Å; T250-T259 PolarHBondContact OG1-OG1 2.99Å; T259-L261 HydrophobicContact CG2-CD1 4.2Å |
| 260 | S | 98 | Very high | 97.5 | Very high | 67 Ų | 67 | 108.6 Ų | 108.6 | 47% | 0.469 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 137.4 | 179.3 | -59.5 | 0 | 0 | 0 | 0 | 109.9 | S248 A249 | S248-S260 WeakPolarHBondContact CA-O 3.4Å; S248-S260 WeakPolarHBondContact CB-O 3.41Å; A249-S260 PolarHBondContact N-O 2.87Å; A249-S260 PolarHBondContact O-N 2.91Å |
| 261 | L | 98.3 | Very high | 97.4 | Very high | 85 Ų | 85 | 115.3 Ų | 115.3 | 45% | 0.445 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 132.6 | 173 | -73.6 | 74 | 0 | 0 | 0 | 109 | L211 L247 T259 Y263 | L211-L261 HydrophobicContact CD1-CD1 4.02Å; L211-L261 HydrophobicContact CD1-CD2 4.38Å; L211-L261 HydrophobicContact CD1-CG 4.27Å; L211-L261 HydrophobicContact CD2-CD1 4.39Å; L247-L261 CarbonylContact O-C 3.56Å; L247-L261 WeakPolarHBondContact O-CA 3.39Å; T259-L261 HydrophobicContact CG2-CD1 4.2Å; L261-Y263 HydrophobicContact CB-CE2 4.16Å; L261-Y263 HydrophobicContact CD2-CE2 4.38Å |
| 262 | L | 97.9 | Very high | 97.3 | Very high | 99 Ų | 99 | 117.1 Ų | 117.1 | 52% | 0.518 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.8 | 122.2 | 175.6 | 176.1 | 65.4 | 0 | 0 | 0 | 109.4 | V246 L247 | V246-L262 WeakPolarHBondContact CA-O 3.47Å; L247-L262 PolarHBondContact N-O 2.81Å; L247-L262 PolarHBondContact O-N 3.23Å |
| 263 | Y | 97.9 | Very high | 97.3 | Very high | 147 Ų | 147 | 116.9 Ų | 116.9 | 58% | 0.576 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.8 | 170.3 | -69.7 | -103.6 | 0 | 0 | 0 | 108.2 | V244 M245 V246 L261 | V244-Y263 HydrophobicContact CG1-CD1 4.08Å; M245-Y263 WeakPolarHBondContact O-CA 3.4Å; V246-Y263 HydrophobicContact CB-CD1 4.41Å; V246-Y263 HydrophobicContact CB-CE1 4.25Å; V246-Y263 HydrophobicContact CG1-CD1 4.2Å; V246-Y263 HydrophobicContact CG1-CD2 4.38Å; V246-Y263 HydrophobicContact CG1-CE1 3.8Å; V246-Y263 HydrophobicContact CG1-CE2 4Å; V246-Y263 HydrophobicContact CG1-CG 4.46Å; V246-Y263 HydrophobicContact CG2-CD1 3.48Å; V246-Y263 VanDerWaalsContact CG2-CD1 3.48Å; V246-Y263 HydrophobicContact CG2-CE1 3.39Å; V246-Y263 HydrophobicContact CG2-CG 4.32Å; L261-Y263 HydrophobicContact CB-CE2 4.16Å; L261-Y263 HydrophobicContact CD2-CE2 4.38Å |
| 264 | K | 97.4 | Very high | 97.2 | Very high | 130 Ų | 130 | 114.2 Ų | 114.2 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -133.5 | 123.8 | -177.5 | -174.4 | 178.5 | 174.1 | 179 | 0 | 110.6 | M245 | M245-K264 PolarHBondContact N-O 2.95Å; M245-K264 PolarHBondContact O-N 3.47Å |
| 265 | P | 96.3 | Very high | 97.2 | Very high | 101 Ų | 101 | 109.6 Ų | 109.6 | 66% | 0.656 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 149.3 | 170.6 | -21.2 | 33.1 | 0 | 0 | 0 | 111.9 | G243 | G243-P265 WeakPolarHBondContact O-CA 3.42Å |
| 266 | I | 90.2 | Very high | 97.2 | Very high | 153 Ų | 153 | 101.5 Ų | 101.5 | 79% | 0.785 | 51% | 0.511 | S | S | * | . | trans | -102.7 | 0 | 177.7 | -50.2 | -179.5 | 0 | 0 | 0 | 110.3 | I240 G243 M245 | I240-I266 HydrophobicContact CB-CD1 4.25Å; I240-I266 HydrophobicContact CD1-CD1 3.49Å; I240-I266 VanDerWaalsContact CD1-CD1 3.49Å; I240-I266 HydrophobicContact CG1-CD1 3.79Å; I240-I266 HydrophobicContact CG2-CD1 3.44Å; I240-I266 VanDerWaalsContact CG2-CD1 3.44Å; G243-I266 PolarHBondContact O-N 3.33Å; M245-I266 HydrophobicContact CB-CD1 4.05Å; M245-I266 HydrophobicContact CB-CG1 4.04Å; M245-I266 HydrophobicContact CE-CD1 4.18Å; M245-I266 HydrophobicContact CE-CG1 4.49Å |
Retrieved 266 of 266 residues in 1205.7 ms
(Link to these results)