| 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 | 43.7 | Very low | 48.1 | Very low | 235 Ų | 235 | 142 Ų | 142 | 100% | 1.158 | 88% | 0.88 | S | S | * | * | 0 | 95.2 | 0 | -170 | -179.1 | -154.8 | 0 | 0 | 108.8 | |||||
| 2 | R | 51.4 | Low | 48 | Very low | 237 Ų | 237 | 138.7 Ų | 138.7 | 89% | 0.894 | 88% | 0.877 | S | S | * | * | trans | 152.3 | 108 | 132.5 | -112.1 | 170 | 167.8 | 142 | -5.8 | 110.1 | ||||
| 3 | E | 50.4 | Low | 48 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 89% | 0.893 | 88% | 0.876 | S | S | * | * | trans | -76.3 | 159.1 | 168.2 | -56.1 | 171.8 | 130.2 | 0 | 0 | 109.9 | ||||
| 4 | A | 58.6 | Low | 47.9 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 85% | 0.851 | 86% | 0.86 | S | S | * | * | trans | -164 | 103.7 | 144.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 5 | E | 54.4 | Low | 47.9 | Very low | 200 Ų | 200 | 131.4 Ų | 131.4 | 94% | 0.935 | 86% | 0.859 | S | S | * | * | trans | -71.2 | 152.5 | 155.5 | -64.2 | -171.3 | 106 | 0 | 0 | 109.8 | ||||
| 6 | A | 55.4 | Low | 47.9 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 88% | 0.884 | 86% | 0.857 | S | S | * | * | trans | -149.3 | 113.5 | 155.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 7 | D | 46.1 | Very low | 47.9 | Very low | 162 Ų | 162 | 129.9 Ų | 129.9 | 87% | 0.866 | 86% | 0.857 | S | S | * | * | trans | -81.1 | 167.8 | 172.5 | 174.3 | 61.5 | 0 | 0 | 0 | 112.2 | ||||
| 8 | A | 50.6 | Low | 48.3 | Very low | 84 Ų | 84 | 133.2 Ų | 133.2 | 69% | 0.694 | 86% | 0.858 | S | S | * | * | trans | 115.1 | 125.8 | 143 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 9 | G | 39.8 | Very low | 48 | Very low | 80 Ų | 80 | 130 Ų | 130 | 83% | 0.825 | 85% | 0.852 | S | S | * | * | trans | 99.1 | 117.3 | 142 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 10 | G | 37.8 | Very low | 47.8 | Very low | 89 Ų | 89 | 127 Ų | 127 | 92% | 0.918 | 85% | 0.846 | S | S | * | * | 88.5 | 132.7 | 56 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 11 | G | 40.5 | Very low | 48 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 85% | 0.846 | S | S | * | * | cis | 170.5 | 162.1 | 3.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 12 | A | 47.6 | Very low | 48.2 | Very low | 102 Ų | 102 | 124.1 Ų | 124.1 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | trans | 73.2 | 146 | 150 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 13 | D | 47.7 | Very low | 48.4 | Very low | 162 Ų | 162 | 119 Ų | 119 | 87% | 0.866 | 83% | 0.828 | S | S | * | * | trans | 86 | 126.8 | 146 | -135.7 | 60.5 | 0 | 0 | 0 | 117.9 | ||||
| 14 | G | 46.5 | Very low | 48.8 | Very low | 63 Ų | 63 | 116.1 Ų | 116.1 | 65% | 0.649 | 83% | 0.826 | S | S | * | * | cis | 114.5 | 120.6 | 31.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 15 | G | 47.6 | Very low | 47.8 | Very low | 82 Ų | 82 | 114.9 Ų | 114.9 | 85% | 0.845 | 82% | 0.824 | S | S | * | * | trans | -173.8 | 69 | -173 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 16 | D | 48.1 | Very low | 47.1 | Very low | 156 Ų | 156 | 109.2 Ų | 109.2 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | -69.6 | 138.8 | 161 | -91.4 | -79 | 0 | 0 | 0 | 111 | ||||
| 17 | G | 48.3 | Very low | 46.7 | Very low | 82 Ų | 82 | 108.3 Ų | 108.3 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -136.1 | 74.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 18 | Q | 55.4 | Low | 46.5 | Very low | 189 Ų | 189 | 107 Ų | 107 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -88.8 | 131.4 | 168.7 | -121.8 | 160.8 | 87 | 0 | 0 | 109.3 | ||||
| 19 | G | 41.1 | Very low | 46 | Very low | 72 Ų | 72 | 109.5 Ų | 109.5 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -157.5 | 82.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 20 | G | 45.3 | Very low | 46.4 | Very low | 70 Ų | 70 | 110.8 Ų | 110.8 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | -81.8 | 164.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 21 | H | 52.5 | Low | 46.3 | Very low | 186 Ų | 186 | 111.4 Ų | 111.4 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | -165 | 111.8 | 146.8 | 30.1 | -81.5 | 0 | 0 | 0 | 110 | ||||
| 22 | S | 46.3 | Very low | 46.4 | Very low | 115 Ų | 115 | 112.3 Ų | 112.3 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -67.3 | 163.4 | 168.2 | -42.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 23 | C | 56.8 | Low | 46.7 | Very low | 129 Ų | 129 | 113.3 Ų | 113.3 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | trans | -171.4 | 159.7 | 131.2 | -95.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 24 | P | 57.9 | Low | 46.3 | Very low | 131 Ų | 131 | 110.1 Ų | 110.1 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -119.4 | -178.7 | -140.5 | 37.3 | -21.4 | 0 | 0 | 0 | 113.9 | ||||
| 25 | G | 38.5 | Very low | 46.2 | Very low | 77 Ų | 77 | 113.5 Ų | 113.5 | 79% | 0.794 | 82% | 0.819 | S | S | * | * | trans | 160 | 101.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 26 | G | 39.4 | Very low | 45.8 | Very low | 82 Ų | 82 | 113.4 Ų | 113.4 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -88.9 | 163.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 27 | A | 46.9 | Very low | 45.8 | Very low | 88 Ų | 88 | 110.5 Ų | 110.5 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | 176 | 125.7 | 124.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 28 | D | 42.4 | Very low | 46.1 | Very low | 133 Ų | 133 | 112.3 Ų | 112.3 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -19.1 | 140.8 | 152.3 | 47.2 | -72 | 0 | 0 | 0 | 117.9 | ||||
| 29 | T | 40.5 | Very low | 46.2 | Very low | 138 Ų | 138 | 109.2 Ų | 109.2 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | 176.3 | 123.4 | 115.1 | 29.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 30 | A | 47.5 | Very low | 46.7 | Very low | 107 Ų | 107 | 110.3 Ų | 110.3 | 88% | 0.884 | 80% | 0.803 | S | S | * | * | trans | -90.2 | 124.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 31 | A | 36 | Very low | 46.9 | Very low | 101 Ų | 101 | 115.6 Ų | 115.6 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | -168.6 | 119.2 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 32 | A | 41.2 | Very low | 46.5 | Very low | 93 Ų | 93 | 111.5 Ų | 111.5 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -86.4 | -176.4 | 154.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 33 | P | 54 | Low | 46.8 | Very low | 123 Ų | 123 | 112.1 Ų | 112.1 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | cis | -134.7 | 174 | -6.8 | 39.2 | -21.6 | 0 | 0 | 0 | 113.8 | ||||
| 34 | A | 40 | Very low | 46.2 | Very low | 96 Ų | 96 | 109 Ų | 109 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | 171.9 | 123.5 | 135.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 35 | S | 43.8 | Very low | 46.3 | Very low | 133 Ų | 133 | 109 Ų | 109 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | trans | 48.5 | 119.4 | 136.3 | -127.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 36 | G | 40.8 | Very low | 46.7 | Very low | 80 Ų | 80 | 108.9 Ų | 108.9 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 177.9 | 110.8 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 37 | A | 46.8 | Very low | 47.4 | Very low | 95 Ų | 95 | 115.7 Ų | 115.7 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 157.9 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 38 | P | 54.4 | Low | 47.7 | Very low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 137.7 | 172.2 | 34.4 | -29.3 | 0 | 0 | 0 | 112.1 | ||
| 39 | P | 58.1 | Low | 47.9 | Very low | 123 Ų | 123 | 117.3 Ų | 117.3 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 146.6 | 160.6 | 31.4 | -28.7 | 0 | 0 | 0 | 111.5 | ||
| 40 | P | 50.8 | Low | 48.3 | Very low | 96 Ų | 96 | 114.8 Ų | 114.8 | 62% | 0.623 | 80% | 0.803 | S | S | * | * | trans | -109.5 | 161.3 | -169.6 | 44.6 | -37.1 | 0 | 0 | 0 | 113.8 | ||||
| 41 | H | 49.7 | Very low | 48.6 | Very low | 181 Ų | 181 | 115.8 Ų | 115.8 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | 61.3 | 118.3 | 159.7 | -37.6 | -64.3 | 0 | 0 | 0 | 119.5 | ||||
| 42 | A | 43.7 | Very low | 49.3 | Very low | 100 Ų | 100 | 115 Ų | 115 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | -160.2 | 111.6 | 126.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 43 | S | 53.5 | Low | 49.7 | Very low | 127 Ų | 127 | 115.4 Ų | 115.4 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -56.5 | 131.8 | 166.5 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 44 | G | 44.8 | Very low | 49.9 | Very low | 65 Ų | 65 | 121.4 Ų | 121.4 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | trans | -129.7 | 107.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | G46 | G44-G46 PolarHBondContact O-N 2.83Š| ||
| 45 | P | 60.3 | Low | 51.1 | Low | 129 Ų | 129 | 119 Ų | 119 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -73.8 | 85.9 | 168.9 | 30.8 | -28 | 0 | 0 | 0 | 106.2 | R47 | P45-R47 PolarHBondContact O-N 2.86Š| ||
| 46 | G | 46.5 | Very low | 51.9 | Low | 75 Ų | 75 | 119.1 Ų | 119.1 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -75 | 71.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | G44 | G44-G46 PolarHBondContact O-N 2.83Š| ||
| 47 | R | 52.8 | Low | 53 | Low | 226 Ų | 226 | 118.1 Ų | 118.1 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | 53.9 | 103.4 | 154.3 | -155.6 | 173.3 | -174 | -134.7 | 2.9 | 113.1 | P45 A49 | P45-R47 PolarHBondContact O-N 2.86Å; R47-A49 VanDerWaalsContact C-N 3.27Å; R47-A49 PolarHBondContact O-N 2.93Å | ||
| 48 | D | 54.5 | Low | 54 | Low | 158 Ų | 158 | 120.4 Ų | 120.4 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -39.2 | 100.1 | 153.9 | -61.1 | -65.6 | 0 | 0 | 0 | 108.2 | A50 | D48-A50 PolarHBondContact O-N 3.44Š| ||
| 49 | A | 47.1 | Very low | 55.3 | Low | 97 Ų | 97 | 125.6 Ų | 125.6 | 80% | 0.802 | 78% | 0.779 | S | S | * | * | trans | -69.8 | 88.5 | 167 | 0 | 0 | 0 | 0 | 0 | 103.2 | R47 S51 | R47-A49 VanDerWaalsContact C-N 3.27Å; R47-A49 PolarHBondContact O-N 2.93Å; A49-S51 PolarHBondContact O-N 2.86Å | ||
| 50 | A | 48.2 | Very low | 56.7 | Low | 84 Ų | 84 | 122 Ų | 122 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | trans | -41 | 104.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | D48 A52 | D48-A50 PolarHBondContact O-N 3.44Å; A50-A52 PolarHBondContact O-N 2.99Å | ||
| 51 | S | 53.6 | Low | 58.5 | Low | 129 Ų | 129 | 121.1 Ų | 121.1 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | trans | -58.2 | 82 | 157 | 178.3 | 0 | 0 | 0 | 0 | 107.2 | A49 | A49-S51 PolarHBondContact O-N 2.86Š| ||
| 52 | A | 51.1 | Low | 60.6 | Low | 83 Ų | 83 | 117.9 Ų | 117.9 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | trans | -166.2 | 57.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A50 | A50-A52 PolarHBondContact O-N 2.99Š| ||
| 53 | A | 50.1 | Low | 62.9 | Low | 102 Ų | 102 | 117.2 Ų | 117.2 | 84% | 0.843 | 71% | 0.71 | S | S | * | * | trans | -138.2 | 46.1 | 152.7 | 0 | 0 | 0 | 0 | 0 | 110 | G55 | A53-G55 PolarHBondContact O-N 3.05Š| ||
| 54 | R | 57.5 | Low | 64.9 | Low | 249 Ų | 249 | 115.6 Ų | 115.6 | 94% | 0.94 | 69% | 0.694 | S | S | * | * | trans | -67.8 | 88.5 | 150.1 | -119.4 | 178.4 | 179.7 | 173.9 | 0.6 | 104.9 | ||||
| 55 | G | 64.2 | Low | 67.3 | Low | 47 Ų | 47 | 114.4 Ų | 114.4 | 49% | 0.485 | 67% | 0.672 | S | S | . | * | trans | -48.1 | 154.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | A53 G57 | A53-G55 PolarHBondContact O-N 3.05Å; G55-G57 WeakPolarHBondContact O-CA 3.31Å; G55-G57 PolarHBondContact O-N 3.44Å | ||
| 56 | P | 60.4 | Low | 68.9 | Low | 134 Ų | 134 | 112.1 Ų | 112.1 | 87% | 0.87 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -46.7 | 105.6 | -173.2 | 18.6 | -31.2 | 0 | 0 | 0 | 109.2 | M58 | P56-M58 PolarHBondContact O-N 3.33Š|
| 57 | G | 64.1 | Low | 71.3 | Confident | 60 Ų | 60 | 109.9 Ų | 109.9 | 62% | 0.619 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 128.4 | -169.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | G55 R59 | G55-G57 WeakPolarHBondContact O-CA 3.31Å; G55-G57 PolarHBondContact O-N 3.44Å; G57-R59 PolarHBondContact O-N 3.47Å |
| 58 | M | 69.2 | Low | 73.3 | Confident | 142 Ų | 142 | 103.8 Ų | 103.8 | 70% | 0.7 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 119.2 | 174.9 | -77.3 | 166 | 54.8 | 0 | 0 | 108.1 | P56 P60 E111 | P56-M58 PolarHBondContact O-N 3.33Å; M58-P60 WeakPolarHBondContact O-CD 3.44Å; M58-E111 HydrophobicContact CE-CB 4.47Å |
| 59 | R | 81.3 | Confident | 75.2 | Confident | 230 Ų | 230 | 97 Ų | 97 | 87% | 0.868 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 121.9 | 177.6 | -70.2 | -174.8 | -178.9 | -171.7 | 0.9 | 107.3 | G57 | G57-R59 PolarHBondContact O-N 3.47Š|
| 60 | P | 86.6 | Confident | 77.4 | Confident | 48 Ų | 48 | 96.8 Ų | 96.8 | 31% | 0.312 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -68 | 143.3 | 179.6 | 27.5 | -32.6 | 0 | 0 | 0 | 110 | M58 K109 A110 | M58-P60 WeakPolarHBondContact O-CD 3.44Å; P60-K109 HydrophobicContact CB-CG 3.83Å; P60-K109 HydrophobicContact CG-CD 4.41Å; P60-K109 VanDerWaalsContact CG-CE 3.4Å; P60-K109 HydrophobicContact CG-CG 4.2Å; P60-A110 CarbonylContact C-O 3.59Å; P60-A110 WeakPolarHBondContact CA-O 3.44Å |
| 61 | H | 89.7 | Confident | 79.5 | Confident | 77 Ų | 77 | 95.4 Ų | 95.4 | 36% | 0.356 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.6 | 130 | 170 | -59.7 | -69.4 | 0 | 0 | 0 | 109.7 | K109 A110 C113 L116 | H61-K109 CarbonylContact O-C 3.55Å; H61-K109 WeakPolarHBondContact O-CA 3.24Å; H61-A110 PolarHBondContact N-O 2.98Å; H61-A110 PolarHBondContact O-N 2.82Å; H61-C113 PolarHBondContact CD2-SG 2.82Å; H61-C113 PolarHBondContact CE1-SG 3.23Å; H61-C113 VanDerWaalsContact CG-SG 3.52Å; H61-C113 PolarHBondContact ND1-SG 3.27Å; H61-C113 VanDerWaalsContact ND1-SG 3.4Å; H61-C113 PolarHBondContact NE2-SG 2.74Å; H61-L116 HydrophobicContact CB-CD2 3.73Å |
| 62 | I | 92.5 | Very high | 81.4 | Confident | 114 Ų | 114 | 92.3 Ų | 92.3 | 59% | 0.585 | 53% | 0.534 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 133.2 | -179.4 | -58.7 | 173.3 | 0 | 0 | 0 | 108.1 | R107 W108 | I62-R107 HydrophobicContact CG2-CG 4.39Å; I62-W108 WeakPolarHBondContact CA-O 3.41Å |
| 63 | F | 93.8 | Very high | 83.3 | Confident | 86 Ų | 86 | 92.2 Ų | 92.2 | 38% | 0.377 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 140.7 | 173.1 | -175.6 | -102.4 | 0 | 0 | 0 | 109.5 | L65 R107 W108 L116 V120 | F63-L65 HydrophobicContact CE1-CB 4.19Å; F63-R107 WeakPolarHBondContact O-CA 3.29Å; F63-W108 AromaticContact CD1-CE3 3.63Å; F63-W108 HydrophobicContact CD1-CE3 3.63Å; F63-W108 AromaticContact CD1-CZ3 3.75Å; F63-W108 HydrophobicContact CD1-CZ3 3.75Å; F63-W108 HydrophobicContact CE1-CE3 4.39Å; F63-W108 HydrophobicContact CE1-CZ3 4.06Å; F63-W108 PolarHBondContact N-O 3Å; F63-W108 VanDerWaalsContact N-O 3.09Å; F63-W108 PolarHBondContact O-N 2.85Å; F63-L116 HydrophobicContact CB-CD1 4.1Å; F63-L116 HydrophobicContact CB-CD2 4.14Å; F63-L116 HydrophobicContact CB-CG 4.48Å; F63-V120 HydrophobicContact CD1-CG1 4.37Å; F63-V120 HydrophobicContact CD1-CG2 3.68Å; F63-V120 HydrophobicContact CE1-CG1 3.92Å; F63-V120 HydrophobicContact CE1-CG2 4.09Å; F63-V120 HydrophobicContact CG-CG2 4.41Å |
| 64 | T | 94.6 | Very high | 85.3 | Confident | 92 Ų | 92 | 89.1 Ų | 89.1 | 56% | 0.564 | 49% | 0.489 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.6 | 179.3 | 48.7 | 0 | 0 | 0 | 0 | 109.9 | I106 R107 | T64-I106 CarbonylContact C-O 3.58Å; T64-I106 VanDerWaalsContact CA-O 3.25Å; T64-I106 WeakPolarHBondContact CA-O 3.43Å; T64-R107 HydrophobicContact CG2-CB 4.11Å; T64-R107 HydrophobicContact CG2-CG 3.79Å |
| 65 | L | 94.7 | Very high | 87.1 | Confident | 40 Ų | 40 | 77.2 Ų | 77.2 | 21% | 0.209 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 139.4 | 175 | -178.3 | 63.7 | 0 | 0 | 0 | 109.3 | F63 V67 A105 I106 W108 F123 L124 | F63-L65 HydrophobicContact CE1-CB 4.19Å; L65-V67 HydrophobicContact CD1-CG2 4.42Å; L65-V67 HydrophobicContact CD2-CG2 3.91Å; L65-V67 HydrophobicContact CG-CG2 3.85Å; L65-A105 WeakPolarHBondContact O-CA 3.36Å; L65-I106 HydrophobicContact CB-CD1 4.18Å; L65-I106 HydrophobicContact CD2-CD1 4.24Å; L65-I106 HydrophobicContact CG-CD1 4.27Å; L65-I106 PolarHBondContact N-O 2.88Å; L65-I106 PolarHBondContact O-N 3.39Å; L65-W108 HydrophobicContact CB-CH2 3.98Å; L65-W108 HydrophobicContact CB-CZ3 3.59Å; L65-W108 HydrophobicContact CD2-CH2 4.16Å; L65-F123 HydrophobicContact CD2-CD1 4.36Å; L65-F123 HydrophobicContact CD2-CE1 4.12Å; L65-L124 HydrophobicContact CD2-CD2 3.7Å |
| 66 | S | 95.4 | Very high | 88.4 | Confident | 81 Ų | 81 | 80.3 Ų | 80.3 | 57% | 0.566 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 123.6 | 172.4 | -59.4 | 0 | 0 | 0 | 0 | 108.8 | L104 | S66-L104 WeakPolarHBondContact CA-O 3.17Å |
| 67 | V | 95.7 | Very high | 90 | Very high | 28 Ų | 28 | 77 Ų | 77 | 17% | 0.17 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 113.6 | -176.8 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | L65 F69 L104 I106 L127 | L65-V67 HydrophobicContact CD1-CG2 4.42Å; L65-V67 HydrophobicContact CD2-CG2 3.91Å; L65-V67 HydrophobicContact CG-CG2 3.85Å; V67-F69 HydrophobicContact CB-CE2 4.18Å; V67-F69 HydrophobicContact CG1-CD2 4.38Å; V67-F69 HydrophobicContact CG1-CE2 3.81Å; V67-F69 HydrophobicContact CG1-CZ 4.23Å; V67-L104 HydrophobicContact CB-CB 4.41Å; V67-L104 PolarHBondContact N-O 2.85Å; V67-L104 PolarHBondContact O-N 2.86Å; V67-I106 HydrophobicContact CG2-CD1 4.4Å; V67-L127 HydrophobicContact CG1-CD2 4.23Å; V67-L127 HydrophobicContact CG2-CD2 3.85Å |
| 68 | P | 96 | Very high | 91.3 | Very high | 99 Ų | 99 | 74.1 Ų | 74.1 | 64% | 0.643 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 134.8 | 174 | 30.7 | -32.2 | 0 | 0 | 0 | 111 | I103 | P68-I103 HydrophobicContact CB-CD1 3.78Å |
| 69 | F | 94.5 | Very high | 92.5 | Very high | 15 Ų | 15 | 69.8 Ų | 69.8 | 7% | 0.066 | 37% | 0.369 | C | S | . | . | trans | -106.8 | 155.2 | 171.5 | -74.8 | -94.3 | 0 | 0 | 0 | 111.4 | V67 T71 E74 A75 A78 R102 L104 L127 V131 M134 | V67-F69 HydrophobicContact CB-CE2 4.18Å; V67-F69 HydrophobicContact CG1-CD2 4.38Å; V67-F69 HydrophobicContact CG1-CE2 3.81Å; V67-F69 HydrophobicContact CG1-CZ 4.23Å; F69-T71 VanDerWaalsContact C-N 3.34Å; F69-T71 PolarHBondContact O-N 2.88Å; F69-E74 HydrophobicContact CB-CB 4.37Å; F69-E74 HydrophobicContact CD1-CB 4.14Å; F69-A75 HydrophobicContact CB-CB 3.96Å; F69-A75 HydrophobicContact CD2-CB 3.86Å; F69-A75 HydrophobicContact CG-CB 4.02Å; F69-A78 HydrophobicContact CE1-CB 3.71Å; F69-A78 HydrophobicContact CE2-CB 4.13Å; F69-A78 HydrophobicContact CZ-CB 3.43Å; F69-A78 VanDerWaalsContact CZ-CB 3.43Å; F69-R102 PolarHBondContact N-O 2.8Å; F69-L104 HydrophobicContact CD2-CB 4.12Å; F69-L104 HydrophobicContact CE2-CB 3.6Å; F69-L104 HydrophobicContact CE2-CD2 3.93Å; F69-L104 HydrophobicContact CE2-CG 4.41Å; F69-L104 HydrophobicContact CZ-CD2 4.29Å; F69-L127 HydrophobicContact CZ-CD1 3.88Å; F69-V131 HydrophobicContact CE1-CG2 4.13Å; F69-M134 HydrophobicContact CD1-CE 4.23Å; F69-M134 HydrophobicContact CE1-CE 3.65Å | ||
| 70 | P | 92.1 | Very high | 92.9 | Very high | 92 Ų | 92 | 61 Ų | 61 | 60% | 0.597 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -59.7 | -42.8 | 178.3 | -19.8 | 29.5 | 0 | 0 | 0 | 112.6 | E74 R102 | P70-E74 VanDerWaalsContact CB-OE2 3.29Å; P70-E74 WeakPolarHBondContact CB-OE2 3.44Å; P70-E74 VanDerWaalsContact CD-OE2 3.24Å; P70-E74 WeakPolarHBondContact CD-OE2 3.35Å; P70-E74 WeakPolarHBondContact CG-OE2 3.41Å; P70-R102 VanDerWaalsContact O-CD 3.31Å; P70-R102 WeakPolarHBondContact O-CD 3.36Å |
| 71 | T | 92.1 | Very high | 93.1 | Very high | 56 Ų | 56 | 61.9 Ų | 61.9 | 34% | 0.344 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -124.9 | 155.9 | 179.5 | 66.7 | 0 | 0 | 0 | 0 | 112.8 | F69 L73 E74 A75 | F69-T71 VanDerWaalsContact C-N 3.34Å; F69-T71 PolarHBondContact O-N 2.88Å; T71-L73 VanDerWaalsContact C-N 3.29Å; T71-L73 PolarHBondContact O-N 3.47Å; T71-E74 PolarHBondContact N-OE2 3.48Å; T71-E74 PolarHBondContact O-N 3.11Å; T71-E74 WeakPolarHBondContact OG1-CB 3.25Å; T71-E74 WeakPolarHBondContact OG1-CG 3.48Å; T71-E74 PolarHBondContact OG1-N 3.4Å; T71-E74 PolarHBondContact OG1-OE2 2.89Å; T71-A75 PolarHBondContact O-N 2.86Å |
| 72 | P | 93.3 | Very high | 93 | Very high | 63 Ų | 63 | 58.3 Ų | 58.3 | 41% | 0.409 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 175.7 | -20.8 | 31.8 | 0 | 0 | 0 | 112.1 | E74 A75 E76 G101 R102 | P72-E74 PolarHBondContact O-N 3.39Å; P72-A75 WeakPolarHBondContact O-CB 3.18Å; P72-A75 PolarHBondContact O-N 3.28Å; P72-A75 VanDerWaalsContact O-N 3.11Å; P72-E76 PolarHBondContact O-N 3.43Å; P72-G101 WeakPolarHBondContact CA-O 3.3Å; P72-R102 HydrophobicContact CB-CG 4.36Å; P72-R102 HydrophobicContact CG-CG 3.73Å |
| 73 | L | 92.1 | Very high | 92.3 | Very high | 81 Ų | 81 | 55.3 Ų | 55.3 | 42% | 0.424 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 179.4 | -179.9 | 59.3 | 0 | 0 | 0 | 112.1 | T71 A75 E76 I77 P140 | T71-L73 VanDerWaalsContact C-N 3.29Å; T71-L73 PolarHBondContact O-N 3.47Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.26Å; L73-E76 PolarHBondContact O-N 3.37Å; L73-I77 HydrophobicContact CD1-CD1 4.28Å; L73-I77 HydrophobicContact CD1-CG1 4.44Å; L73-I77 HydrophobicContact CG-CD1 3.99Å; L73-I77 VanDerWaalsContact O-CG1 3.26Å; L73-I77 WeakPolarHBondContact O-CG1 3.36Å; L73-I77 PolarHBondContact O-N 3.45Å; L73-P140 HydrophobicContact CD2-CB 3.63Å; L73-P140 HydrophobicContact CD2-CG 4.15Å; L73-P140 HydrophobicContact CG-CB 4.28Å; L73-P140 HydrophobicContact CG-CG 4.46Å |
| 74 | E | 92.4 | Very high | 90.9 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 17% | 0.173 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 174.6 | -73 | 162.9 | 151 | 0 | 0 | 112.3 | F69 P70 T71 P72 E76 I77 A78 M134 P140 | F69-E74 HydrophobicContact CB-CB 4.37Å; F69-E74 HydrophobicContact CD1-CB 4.14Å; P70-E74 VanDerWaalsContact CB-OE2 3.29Å; P70-E74 WeakPolarHBondContact CB-OE2 3.44Å; P70-E74 VanDerWaalsContact CD-OE2 3.24Å; P70-E74 WeakPolarHBondContact CD-OE2 3.35Å; P70-E74 WeakPolarHBondContact CG-OE2 3.41Å; T71-E74 PolarHBondContact N-OE2 3.48Å; T71-E74 PolarHBondContact O-N 3.11Å; T71-E74 WeakPolarHBondContact OG1-CB 3.25Å; T71-E74 WeakPolarHBondContact OG1-CG 3.48Å; T71-E74 PolarHBondContact OG1-N 3.4Å; T71-E74 PolarHBondContact OG1-OE2 2.89Å; P72-E74 PolarHBondContact O-N 3.39Å; E74-E76 VanDerWaalsContact C-N 3.33Å; E74-I77 PolarHBondContact O-N 2.59Å; E74-A78 VanDerWaalsContact O-CB 3.31Å; E74-A78 WeakPolarHBondContact O-CB 3.31Å; E74-A78 PolarHBondContact O-N 2.75Å; E74-M134 HydrophobicContact CB-SD 4.21Å; E74-M134 HydrophobicContact CG-SD 4.38Å; E74-P140 HydrophobicContact CG-CG 4.21Å |
| 75 | A | 94.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F69 T71 P72 L73 A78 H79 V99 | F69-A75 HydrophobicContact CB-CB 3.96Å; F69-A75 HydrophobicContact CD2-CB 3.86Å; F69-A75 HydrophobicContact CG-CB 4.02Å; T71-A75 PolarHBondContact O-N 2.86Å; P72-A75 WeakPolarHBondContact O-CB 3.18Å; P72-A75 PolarHBondContact O-N 3.28Å; P72-A75 VanDerWaalsContact O-N 3.11Å; L73-A75 VanDerWaalsContact C-N 3.32Å; L73-A75 PolarHBondContact O-N 3.26Å; A75-A78 PolarHBondContact O-N 3.27Å; A75-H79 WeakPolarHBondContact O-CB 3.3Å; A75-H79 PolarHBondContact O-N 2.88Å; A75-V99 HydrophobicContact CB-CG2 3.58Å |
| 76 | E | 92.9 | Very high | 87.2 | Confident | 111 Ų | 111 | 55.4 Ų | 55.4 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 174.7 | -70.9 | 176.2 | -163 | 0 | 0 | 112.2 | P72 L73 E74 A78 H79 G80 V99 | P72-E76 PolarHBondContact O-N 3.43Å; L73-E76 PolarHBondContact O-N 3.37Å; E74-E76 VanDerWaalsContact C-N 3.33Å; E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.37Å; E76-H79 WeakPolarHBondContact O-CB 3.26Å; E76-H79 PolarHBondContact O-N 3.42Å; E76-G80 PolarHBondContact O-N 3.41Å; E76-V99 HydrophobicContact CG-CG1 4.35Å |
| 77 | I | 92.3 | Very high | 85.3 | Confident | 65 Ų | 65 | 53 Ų | 53 | 33% | 0.333 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 174.9 | -68.4 | 164.2 | 0 | 0 | 0 | 110.2 | L73 E74 G80 S81 M134 P140 | L73-I77 HydrophobicContact CD1-CD1 4.28Å; L73-I77 HydrophobicContact CD1-CG1 4.44Å; L73-I77 HydrophobicContact CG-CD1 3.99Å; L73-I77 VanDerWaalsContact O-CG1 3.26Å; L73-I77 WeakPolarHBondContact O-CG1 3.36Å; L73-I77 PolarHBondContact O-N 3.45Å; E74-I77 PolarHBondContact O-N 2.59Å; I77-G80 PolarHBondContact O-N 3.46Å; I77-S81 WeakPolarHBondContact O-CB 3.34Å; I77-S81 PolarHBondContact O-N 2.96Å; I77-S81 PolarHBondContact O-OG 2.94Å; I77-M134 HydrophobicContact CB-SD 4.36Å; I77-M134 HydrophobicContact CG2-CG 4.5Å; I77-M134 HydrophobicContact CG2-SD 4.03Å; I77-P140 HydrophobicContact CD1-CB 4.04Å; I77-P140 HydrophobicContact CD1-CG 3.98Å |
| 78 | A | 92.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F69 E74 A75 E76 S81 L82 L104 V130 M134 | F69-A78 HydrophobicContact CE1-CB 3.71Å; F69-A78 HydrophobicContact CE2-CB 4.13Å; F69-A78 HydrophobicContact CZ-CB 3.43Å; F69-A78 VanDerWaalsContact CZ-CB 3.43Å; E74-A78 VanDerWaalsContact O-CB 3.31Å; E74-A78 WeakPolarHBondContact O-CB 3.31Å; E74-A78 PolarHBondContact O-N 2.75Å; A75-A78 PolarHBondContact O-N 3.27Å; E76-A78 VanDerWaalsContact C-N 3.33Å; E76-A78 PolarHBondContact O-N 3.37Å; A78-S81 PolarHBondContact O-N 3.44Å; A78-L82 WeakPolarHBondContact O-CB 3.33Å; A78-L82 WeakPolarHBondContact O-CD1 3.32Å; A78-L82 WeakPolarHBondContact O-CG 3.48Å; A78-L82 PolarHBondContact O-N 3.46Å; A78-L104 HydrophobicContact CB-CD2 4.45Å; A78-V130 HydrophobicContact CB-CG1 4.03Å; A78-M134 HydrophobicContact CB-CE 4.24Å |
| 79 | H | 92.8 | Very high | 81.4 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 24% | 0.236 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -55.9 | -53.1 | 173.7 | 178 | -85.2 | 0 | 0 | 0 | 111.4 | A75 E76 S81 L82 A83 L97 V99 L104 | A75-H79 WeakPolarHBondContact O-CB 3.3Å; A75-H79 PolarHBondContact O-N 2.88Å; E76-H79 WeakPolarHBondContact O-CB 3.26Å; E76-H79 PolarHBondContact O-N 3.42Å; H79-S81 PolarHBondContact O-N 2.96Å; H79-L82 PolarHBondContact O-N 3.19Å; H79-L82 VanDerWaalsContact O-N 3.09Å; H79-A83 VanDerWaalsContact O-CB 3.23Å; H79-A83 WeakPolarHBondContact O-CB 3.49Å; H79-A83 PolarHBondContact O-N 3.31Å; H79-L97 PolarHBondContact NE2-O 2.94Å; H79-V99 HydrophobicContact CB-CB 4.27Å; H79-V99 HydrophobicContact CB-CG1 4.41Å; H79-L104 HydrophobicContact CB-CD1 3.74Å |
| 80 | G | 90.7 | Very high | 79.6 | Confident | 44 Ų | 44 | 63.6 Ų | 63.6 | 45% | 0.454 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.9 | -30.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | E76 I77 P84 | E76-G80 PolarHBondContact O-N 3.41Å; I77-G80 PolarHBondContact O-N 3.46Å; G80-P84 WeakPolarHBondContact O-CD 3.26Å |
| 81 | S | 90.3 | Very high | 77.9 | Confident | 67 Ų | 67 | 71 Ų | 71 | 47% | 0.469 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -76.2 | -28.5 | 176.4 | -54.2 | 0 | 0 | 0 | 0 | 113 | I77 A78 H79 | I77-S81 WeakPolarHBondContact O-CB 3.34Å; I77-S81 PolarHBondContact O-N 2.96Å; I77-S81 PolarHBondContact O-OG 2.94Å; A78-S81 PolarHBondContact O-N 3.44Å; H79-S81 PolarHBondContact O-N 2.96Å |
| 82 | L | 87.9 | Confident | 76.6 | Confident | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.016 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -102.2 | -15.3 | -173.9 | -64.7 | 167.9 | 0 | 0 | 0 | 113.3 | A78 H79 L97 L104 F123 Q126 L127 V130 | A78-L82 WeakPolarHBondContact O-CB 3.33Å; A78-L82 WeakPolarHBondContact O-CD1 3.32Å; A78-L82 WeakPolarHBondContact O-CG 3.48Å; A78-L82 PolarHBondContact O-N 3.46Å; H79-L82 PolarHBondContact O-N 3.19Å; H79-L82 VanDerWaalsContact O-N 3.09Å; L82-L97 HydrophobicContact CB-CD2 3.76Å; L82-L104 HydrophobicContact CD1-CD2 3.9Å; L82-F123 HydrophobicContact CB-CE2 4.24Å; L82-F123 HydrophobicContact CD1-CE2 4.03Å; L82-F123 HydrophobicContact CD1-CZ 3.98Å; L82-F123 HydrophobicContact CD2-CE2 4.45Å; L82-F123 HydrophobicContact CG-CE2 4.48Å; L82-Q126 HydrophobicContact CD2-CB 3.75Å; L82-L127 HydrophobicContact CD1-CB 4.4Å; L82-L127 HydrophobicContact CD1-CD1 3.84Å; L82-V130 HydrophobicContact CD2-CG2 3.97Å; L82-V130 HydrophobicContact CG-CG2 4.23Å |
| 83 | A | 77.2 | Confident | 75.8 | Confident | 51 Ų | 51 | 68.3 Ų | 68.3 | 42% | 0.421 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -35 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | H79 D85 L97 | H79-A83 VanDerWaalsContact O-CB 3.23Å; H79-A83 WeakPolarHBondContact O-CB 3.49Å; H79-A83 PolarHBondContact O-N 3.31Å; A83-D85 PolarHBondContact O-N 2.89Å; A83-D85 VanDerWaalsContact O-N 3.17Å; A83-L97 HydrophobicContact CB-CD2 4.29Å |
| 84 | P | 64.4 | Low | 75.3 | Confident | 103 Ų | 103 | 65.9 Ų | 65.9 | 67% | 0.669 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -7.8 | -176.7 | -20.6 | 33 | 0 | 0 | 0 | 115.4 | G80 A86 | G80-P84 WeakPolarHBondContact O-CD 3.26Å; P84-A86 PolarHBondContact O-N 2.71Å |
| 85 | D | 57.8 | Low | 75.1 | Confident | 53 Ų | 53 | 66.5 Ų | 66.5 | 28% | 0.283 | 37% | 0.373 | S | S | . | . | trans | -84 | 67.6 | -179.6 | -161.3 | 31.8 | 0 | 0 | 0 | 110.8 | A83 E87 K95 Q126 | A83-D85 PolarHBondContact O-N 2.89Å; A83-D85 VanDerWaalsContact O-N 3.17Å; D85-E87 PolarHBondContact O-N 2.81Å; D85-K95 PolarHBondContact O-NZ 3Å; D85-K95 VanDerWaalsContact O-NZ 3.07Å; D85-K95 IonicContact OD2-NZ 4Å; D85-Q126 PolarHBondContact OD2-NE2 2.98Å; D85-Q126 PolarHBondContact OD2-OE1 2.86Å | ||
| 86 | A | 54.9 | Low | 74.9 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 52% | 0.521 | 40% | 0.395 | S | S | . | . | trans | -65.9 | 86.9 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | P84 | P84-A86 PolarHBondContact O-N 2.71Š| ||
| 87 | E | 54.6 | Low | 74.8 | Confident | 32 Ų | 32 | 67.2 Ų | 67.2 | 15% | 0.15 | 38% | 0.377 | C | S | . | . | trans | -49.7 | 126.8 | -179.6 | -147.4 | 173.1 | 168.3 | 0 | 0 | 108.8 | D85 H89 Q90 S119 | D85-E87 PolarHBondContact O-N 2.81Å; E87-H89 PolarHBondContact O-N 3.09Å; E87-Q90 WeakPolarHBondContact O-CG 3.44Å; E87-Q90 PolarHBondContact O-N 3.2Å; E87-S119 PolarHBondContact OE2-OG 3.03Å | ||
| 88 | P | 56.2 | Low | 74.8 | Confident | 121 Ų | 121 | 67.7 Ų | 67.7 | 79% | 0.786 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -11.2 | -178.6 | 17.9 | -29.1 | 0 | 0 | 0 | 113.3 | ||
| 89 | H | 53 | Low | 74.9 | Confident | 117 Ų | 117 | 70.1 Ų | 70.1 | 54% | 0.542 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 21.8 | 175.3 | -52.7 | 98.9 | 0 | 0 | 0 | 114.2 | E87 R91 V92 V93 | E87-H89 PolarHBondContact O-N 3.09Å; H89-R91 PolarHBondContact O-N 2.9Å; H89-V92 PolarHBondContact O-N 2.84Å; H89-V93 PolarHBondContact O-N 3.18Å |
| 90 | Q | 56.8 | Low | 74.9 | Confident | 126 Ų | 126 | 72 Ų | 72 | 59% | 0.589 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.9 | -22.7 | 175.2 | -90.8 | 175.4 | 8.3 | 0 | 0 | 114.6 | E87 V92 | E87-Q90 WeakPolarHBondContact O-CG 3.44Å; E87-Q90 PolarHBondContact O-N 3.2Å; Q90-V92 VanDerWaalsContact C-N 3.28Å; Q90-V92 PolarHBondContact O-N 2.93Å |
| 91 | R | 57.7 | Low | 75 | Confident | 247 Ų | 247 | 72.2 Ų | 72.2 | 93% | 0.932 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -21.3 | 173.3 | -99.7 | -164 | -83.4 | -164 | -4.8 | 114.7 | H89 | H89-R91 PolarHBondContact O-N 2.9Š|
| 92 | V | 64.4 | Low | 75.3 | Confident | 57 Ų | 57 | 75.9 Ų | 75.9 | 35% | 0.345 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | -30.5 | -172.7 | -165.4 | 0 | 0 | 0 | 0 | 112.5 | H89 Q90 A110 L115 | H89-V92 PolarHBondContact O-N 2.84Å; Q90-V92 VanDerWaalsContact C-N 3.28Å; Q90-V92 PolarHBondContact O-N 2.93Å; V92-A110 WeakPolarHBondContact O-CA 3.34Å; V92-L115 HydrophobicContact CB-CD1 4.17Å; V92-L115 HydrophobicContact CG1-CD1 3.31Å |
| 93 | V | 76.4 | Confident | 75.7 | Confident | 5 Ų | 5 | 78.9 Ų | 78.9 | 3% | 0.03 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 112.7 | 173.5 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | H89 K109 A110 L115 | H89-V93 PolarHBondContact O-N 3.18Å; V93-K109 CarbonylContact C-O 3.46Å; V93-K109 WeakPolarHBondContact CA-O 3.45Å; V93-A110 HydrophobicContact CB-CB 4.33Å; V93-A110 HydrophobicContact CG1-CB 4.13Å; V93-A110 HydrophobicContact CG2-CB 3.77Å; V93-L115 HydrophobicContact CG2-CB 3.76Å |
| 94 | G | 82.8 | Confident | 76.5 | Confident | 31 Ų | 31 | 76.5 Ų | 76.5 | 32% | 0.32 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 132.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | W108 K109 | G94-W108 CarbonylContact O-C 3.54Å; G94-W108 VanDerWaalsContact O-CA 3.26Å; G94-W108 WeakPolarHBondContact O-CA 3.49Å; G94-K109 PolarHBondContact N-O 3.39Å; G94-K109 PolarHBondContact O-N 2.95Å |
| 95 | K | 87.1 | Confident | 77.9 | Confident | 50 Ų | 50 | 72.9 Ų | 72.9 | 22% | 0.217 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123 | 175.7 | -177.5 | -177.1 | 71.2 | -173.4 | 0 | 109 | D85 I106 R107 F123 | D85-K95 PolarHBondContact O-NZ 3Å; D85-K95 VanDerWaalsContact O-NZ 3.07Å; D85-K95 IonicContact OD2-NZ 4Å; K95-I106 HydrophobicContact CD-CG2 4.49Å; K95-I106 HydrophobicContact CG-CG2 3.99Å; K95-R107 CarbonylContact C-O 3.55Å; K95-R107 WeakPolarHBondContact CA-O 3.29Å; K95-F123 HydrophobicContact CD-CD2 4.39Å |
| 96 | E | 89.2 | Confident | 79.6 | Confident | 99 Ų | 99 | 70.5 Ų | 70.5 | 46% | 0.463 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.1 | 173.7 | -67.1 | 180 | -133.5 | 0 | 0 | 109.4 | I106 R107 | E96-I106 CarbonylContact O-C 3.49Å; E96-I106 VanDerWaalsContact O-CA 3.3Å; E96-I106 WeakPolarHBondContact O-CA 3.48Å; E96-R107 HydrophobicContact CB-CB 4.4Å; E96-R107 PolarHBondContact N-O 3.28Å; E96-R107 PolarHBondContact O-N 3.02Å; E96-R107 IonicContact OE1-CZ 3.5Å; E96-R107 IonicContact OE1-NE 3.77Å; E96-R107 IonicContact OE1-NH2 2.75Å; E96-R107 PolarHBondContact OE1-NH2 2.76Å; E96-R107 IonicContact OE2-CZ 3.2Å; E96-R107 IonicContact OE2-NH1 3.5Å; E96-R107 IonicContact OE2-NH2 2.59Å; E96-R107 PolarHBondContact OE2-NH2 3.49Å |
| 97 | L | 90.6 | Very high | 81.4 | Confident | 26 Ų | 26 | 72.9 Ų | 72.9 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.1 | -177.5 | -178.6 | 64.8 | 0 | 0 | 0 | 109.4 | H79 L82 A83 L104 I106 F123 | H79-L97 PolarHBondContact NE2-O 2.94Å; L82-L97 HydrophobicContact CB-CD2 3.76Å; A83-L97 HydrophobicContact CB-CD2 4.29Å; L97-L104 HydrophobicContact CD1-CD1 3.63Å; L97-L104 HydrophobicContact CD1-CD2 4.19Å; L97-L104 HydrophobicContact CD1-CG 3.85Å; L97-L104 HydrophobicContact CG-CD1 4.24Å; L97-I106 HydrophobicContact CD1-CB 4.35Å; L97-I106 HydrophobicContact CD1-CD1 4.26Å; L97-I106 HydrophobicContact CD1-CG1 3.31Å; L97-I106 HydrophobicContact CD1-CG2 4.43Å; L97-F123 HydrophobicContact CD1-CE2 4.31Å; L97-F123 HydrophobicContact CD1-CZ 4.29Å |
| 98 | T | 93.1 | Very high | 83.2 | Confident | 76 Ų | 76 | 71.3 Ų | 71.3 | 47% | 0.466 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 155.5 | 179.7 | 60.8 | 0 | 0 | 0 | 0 | 111 | A105 | T98-A105 PolarHBondContact N-O 3.32Å; T98-A105 PolarHBondContact O-N 2.85Å; T98-A105 VanDerWaalsContact O-O 3.07Å |
| 99 | V | 94.7 | Very high | 84.8 | Confident | 51 Ų | 51 | 71.4 Ų | 71.4 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.1 | 174.2 | 65.8 | 0 | 0 | 0 | 0 | 109.3 | A75 E76 H79 I103 L104 | A75-V99 HydrophobicContact CB-CG2 3.58Å; E76-V99 HydrophobicContact CG-CG1 4.35Å; H79-V99 HydrophobicContact CB-CB 4.27Å; H79-V99 HydrophobicContact CB-CG1 4.41Å; V99-I103 WeakPolarHBondContact CA-O 3.36Å; V99-L104 HydrophobicContact CB-CD1 4.43Å |
| 100 | S | 93.2 | Very high | 86.5 | Confident | 91 Ų | 91 | 66 Ų | 66 | 64% | 0.636 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 99 | 175.9 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | R102 I103 | S100-R102 PolarHBondContact O-N 2.92Å; S100-I103 PolarHBondContact N-O 2.81Å; S100-I103 PolarHBondContact O-N 2.81Å |
| 101 | G | 93.8 | Very high | 88 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 50% | 0.495 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | -110.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P72 | P72-G101 WeakPolarHBondContact CA-O 3.3Š|
| 102 | R | 95 | Very high | 89.4 | Confident | 143 Ų | 143 | 57 Ų | 57 | 54% | 0.54 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -3.1 | 179.5 | -64.7 | -168.7 | -69.2 | 174.6 | -0.4 | 114.5 | F69 P70 P72 S100 | F69-R102 PolarHBondContact N-O 2.8Å; P70-R102 VanDerWaalsContact O-CD 3.31Å; P70-R102 WeakPolarHBondContact O-CD 3.36Å; P72-R102 HydrophobicContact CB-CG 4.36Å; P72-R102 HydrophobicContact CG-CG 3.73Å; S100-R102 PolarHBondContact O-N 2.92Å |
| 103 | I | 96.2 | Very high | 90.6 | Very high | 67 Ų | 67 | 57.5 Ų | 57.5 | 34% | 0.344 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 119.7 | -171.9 | -51.7 | -56.1 | 0 | 0 | 0 | 109.2 | P68 V99 S100 | P68-I103 HydrophobicContact CB-CD1 3.78Å; V99-I103 WeakPolarHBondContact CA-O 3.36Å; S100-I103 PolarHBondContact N-O 2.81Å; S100-I103 PolarHBondContact O-N 2.81Å |
| 104 | L | 95.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 115.8 | 165.7 | -172.7 | 69.8 | 0 | 0 | 0 | 108.3 | S66 V67 F69 A78 H79 L82 L97 V99 I106 F123 L127 | S66-L104 WeakPolarHBondContact CA-O 3.17Å; V67-L104 HydrophobicContact CB-CB 4.41Å; V67-L104 PolarHBondContact N-O 2.85Å; V67-L104 PolarHBondContact O-N 2.86Å; F69-L104 HydrophobicContact CD2-CB 4.12Å; F69-L104 HydrophobicContact CE2-CB 3.6Å; F69-L104 HydrophobicContact CE2-CD2 3.93Å; F69-L104 HydrophobicContact CE2-CG 4.41Å; F69-L104 HydrophobicContact CZ-CD2 4.29Å; A78-L104 HydrophobicContact CB-CD2 4.45Å; H79-L104 HydrophobicContact CB-CD1 3.74Å; L82-L104 HydrophobicContact CD1-CD2 3.9Å; L97-L104 HydrophobicContact CD1-CD1 3.63Å; L97-L104 HydrophobicContact CD1-CD2 4.19Å; L97-L104 HydrophobicContact CD1-CG 3.85Å; L97-L104 HydrophobicContact CG-CD1 4.24Å; V99-L104 HydrophobicContact CB-CD1 4.43Å; L104-I106 HydrophobicContact CD2-CD1 4.32Å; L104-I106 HydrophobicContact CG-CD1 4.11Å; L104-F123 HydrophobicContact CD2-CZ 4.39Å; L104-L127 HydrophobicContact CD2-CD1 4.36Å |
| 105 | A | 94.4 | Very high | 91.4 | Very high | 28 Ų | 28 | 67 Ų | 67 | 23% | 0.231 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 132.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L65 T98 | L65-A105 WeakPolarHBondContact O-CA 3.36Å; T98-A105 PolarHBondContact N-O 3.32Å; T98-A105 PolarHBondContact O-N 2.85Å; T98-A105 VanDerWaalsContact O-O 3.07Å |
| 106 | I | 93.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.015 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 134 | -179.1 | -45.5 | 93.6 | 0 | 0 | 0 | 109.1 | T64 L65 V67 K95 E96 L97 L104 W108 F123 | T64-I106 CarbonylContact C-O 3.58Å; T64-I106 VanDerWaalsContact CA-O 3.25Å; T64-I106 WeakPolarHBondContact CA-O 3.43Å; L65-I106 HydrophobicContact CB-CD1 4.18Å; L65-I106 HydrophobicContact CD2-CD1 4.24Å; L65-I106 HydrophobicContact CG-CD1 4.27Å; L65-I106 PolarHBondContact N-O 2.88Å; L65-I106 PolarHBondContact O-N 3.39Å; V67-I106 HydrophobicContact CG2-CD1 4.4Å; K95-I106 HydrophobicContact CD-CG2 4.49Å; K95-I106 HydrophobicContact CG-CG2 3.99Å; E96-I106 CarbonylContact O-C 3.49Å; E96-I106 VanDerWaalsContact O-CA 3.3Å; E96-I106 WeakPolarHBondContact O-CA 3.48Å; L97-I106 HydrophobicContact CD1-CB 4.35Å; L97-I106 HydrophobicContact CD1-CD1 4.26Å; L97-I106 HydrophobicContact CD1-CG1 3.31Å; L97-I106 HydrophobicContact CD1-CG2 4.43Å; L104-I106 HydrophobicContact CD2-CD1 4.32Å; L104-I106 HydrophobicContact CG-CD1 4.11Å; I106-W108 HydrophobicContact CB-CE3 4.2Å; I106-W108 HydrophobicContact CB-CH2 3.51Å; I106-W108 HydrophobicContact CB-CZ2 4.19Å; I106-W108 HydrophobicContact CB-CZ3 3.52Å; I106-W108 HydrophobicContact CG1-CH2 4.23Å; I106-W108 HydrophobicContact CG2-CD2 3.96Å; I106-W108 HydrophobicContact CG2-CE3 3.79Å; I106-W108 HydrophobicContact CG2-CH2 3.28Å; I106-W108 HydrophobicContact CG2-CZ2 3.43Å; I106-W108 VanDerWaalsContact CG2-CZ2 3.43Å; I106-W108 HydrophobicContact CG2-CZ3 3.47Å; I106-W108 VanDerWaalsContact CG2-CZ3 3.47Å; I106-F123 HydrophobicContact CD1-CE1 3.63Å; I106-F123 HydrophobicContact CD1-CZ 3.62Å; I106-F123 HydrophobicContact CG1-CE1 3.85Å; I106-F123 HydrophobicContact CG1-CE2 4.19Å; I106-F123 HydrophobicContact CG1-CZ 3.5Å |
| 107 | R | 92.6 | Very high | 91.6 | Very high | 112 Ų | 112 | 69.3 Ų | 69.3 | 42% | 0.423 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 122.2 | 175.8 | -173.7 | 167.5 | 75.9 | -113.7 | 8.3 | 109.9 | I62 F63 T64 K95 E96 | I62-R107 HydrophobicContact CG2-CG 4.39Å; F63-R107 WeakPolarHBondContact O-CA 3.29Å; T64-R107 HydrophobicContact CG2-CB 4.11Å; T64-R107 HydrophobicContact CG2-CG 3.79Å; K95-R107 CarbonylContact C-O 3.55Å; K95-R107 WeakPolarHBondContact CA-O 3.29Å; E96-R107 HydrophobicContact CB-CB 4.4Å; E96-R107 PolarHBondContact N-O 3.28Å; E96-R107 PolarHBondContact O-N 3.02Å; E96-R107 IonicContact OE1-CZ 3.5Å; E96-R107 IonicContact OE1-NE 3.77Å; E96-R107 IonicContact OE1-NH2 2.75Å; E96-R107 PolarHBondContact OE1-NH2 2.76Å; E96-R107 IonicContact OE2-CZ 3.2Å; E96-R107 IonicContact OE2-NH1 3.5Å; E96-R107 IonicContact OE2-NH2 2.59Å; E96-R107 PolarHBondContact OE2-NH2 3.49Å |
| 108 | W | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 146.7 | 172.1 | -66.1 | -99.7 | 0 | 0 | 0 | 110.8 | I62 F63 L65 G94 I106 L116 S119 V120 F123 | I62-W108 WeakPolarHBondContact CA-O 3.41Å; F63-W108 AromaticContact CD1-CE3 3.63Å; F63-W108 HydrophobicContact CD1-CE3 3.63Å; F63-W108 AromaticContact CD1-CZ3 3.75Å; F63-W108 HydrophobicContact CD1-CZ3 3.75Å; F63-W108 HydrophobicContact CE1-CE3 4.39Å; F63-W108 HydrophobicContact CE1-CZ3 4.06Å; F63-W108 PolarHBondContact N-O 3Å; F63-W108 VanDerWaalsContact N-O 3.09Å; F63-W108 PolarHBondContact O-N 2.85Å; L65-W108 HydrophobicContact CB-CH2 3.98Å; L65-W108 HydrophobicContact CB-CZ3 3.59Å; L65-W108 HydrophobicContact CD2-CH2 4.16Å; G94-W108 CarbonylContact O-C 3.54Å; G94-W108 VanDerWaalsContact O-CA 3.26Å; G94-W108 WeakPolarHBondContact O-CA 3.49Å; I106-W108 HydrophobicContact CB-CE3 4.2Å; I106-W108 HydrophobicContact CB-CH2 3.51Å; I106-W108 HydrophobicContact CB-CZ2 4.19Å; I106-W108 HydrophobicContact CB-CZ3 3.52Å; I106-W108 HydrophobicContact CG1-CH2 4.23Å; I106-W108 HydrophobicContact CG2-CD2 3.96Å; I106-W108 HydrophobicContact CG2-CE3 3.79Å; I106-W108 HydrophobicContact CG2-CH2 3.28Å; I106-W108 HydrophobicContact CG2-CZ2 3.43Å; I106-W108 VanDerWaalsContact CG2-CZ2 3.43Å; I106-W108 HydrophobicContact CG2-CZ3 3.47Å; I106-W108 VanDerWaalsContact CG2-CZ3 3.47Å; W108-L116 HydrophobicContact CB-CD1 3.37Å; W108-L116 HydrophobicContact CG-CD1 4.02Å; W108-S119 PolarHBondContact NE1-OG 2.92Å; W108-V120 HydrophobicContact CD2-CG2 3.96Å; W108-V120 HydrophobicContact CE3-CG2 4.22Å; W108-V120 HydrophobicContact CG-CG2 4.31Å; W108-V120 HydrophobicContact CZ2-CG2 4.31Å; W108-V120 HydrophobicContact CZ3-CG2 4.49Å; W108-F123 AromaticContact CH2-CD1 3.7Å; W108-F123 HydrophobicContact CH2-CD1 3.7Å; W108-F123 HydrophobicContact CH2-CE1 4.11Å; W108-F123 HydrophobicContact CH2-CG 4.14Å; W108-F123 HydrophobicContact CZ2-CB 3.74Å; W108-F123 AromaticContact CZ2-CD1 3.64Å; W108-F123 HydrophobicContact CZ2-CD1 3.64Å; W108-F123 HydrophobicContact CZ2-CD2 4.22Å; W108-F123 HydrophobicContact CZ2-CE1 4.34Å; W108-F123 AromaticContact CZ2-CG 3.58Å; W108-F123 HydrophobicContact CZ2-CG 3.58Å |
| 109 | K | 89.9 | Confident | 91.5 | Very high | 123 Ų | 123 | 68.9 Ų | 68.9 | 54% | 0.535 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 117.2 | 173.2 | -175.9 | -179.3 | 177.4 | -176.3 | 0 | 108.6 | P60 H61 V93 G94 | P60-K109 HydrophobicContact CB-CG 3.83Å; P60-K109 HydrophobicContact CG-CD 4.41Å; P60-K109 VanDerWaalsContact CG-CE 3.4Å; P60-K109 HydrophobicContact CG-CG 4.2Å; H61-K109 CarbonylContact O-C 3.55Å; H61-K109 WeakPolarHBondContact O-CA 3.24Å; V93-K109 CarbonylContact C-O 3.46Å; V93-K109 WeakPolarHBondContact CA-O 3.45Å; G94-K109 PolarHBondContact N-O 3.39Å; G94-K109 PolarHBondContact O-N 2.95Å |
| 110 | A | 89.1 | Confident | 91.3 | Very high | 2 Ų | 2 | 67.4 Ų | 67.4 | 2% | 0.017 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 149.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P60 H61 V92 V93 L116 | P60-A110 CarbonylContact C-O 3.59Å; P60-A110 WeakPolarHBondContact CA-O 3.44Å; H61-A110 PolarHBondContact N-O 2.98Å; H61-A110 PolarHBondContact O-N 2.82Å; V92-A110 WeakPolarHBondContact O-CA 3.34Å; V93-A110 HydrophobicContact CB-CB 4.33Å; V93-A110 HydrophobicContact CG1-CB 4.13Å; V93-A110 HydrophobicContact CG2-CB 3.77Å; A110-L116 HydrophobicContact CB-CB 3.78Å; A110-L116 HydrophobicContact CB-CD1 4.25Å; A110-L116 HydrophobicContact CB-CG 4.47Å |
| 111 | E | 88.3 | Confident | 91.3 | Very high | 117 Ų | 117 | 66.7 Ų | 66.7 | 55% | 0.547 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -83.4 | -23.5 | 171.8 | -64.7 | -177.4 | -179 | 0 | 0 | 112.6 | M58 | M58-E111 HydrophobicContact CE-CB 4.47Š|
| 112 | D | 87.1 | Confident | 91.1 | Very high | 68 Ų | 68 | 67.5 Ų | 67.5 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | trans | -117.3 | 122.6 | -179.5 | -178.2 | -5.8 | 0 | 0 | 0 | 110.9 | R114 L115 L116 | D112-R114 PolarHBondContact O-N 3.29Å; D112-R114 VanDerWaalsContact OD1-CB 3.29Å; D112-R114 WeakPolarHBondContact OD1-CB 3.26Å; D112-R114 PolarHBondContact OD1-N 3.32Å; D112-L115 HydrophobicContact CB-CB 4.24Å; D112-L115 HydrophobicContact CB-CD1 4.11Å; D112-L115 HydrophobicContact CB-CG 4.14Å; D112-L115 PolarHBondContact O-N 3.48Å; D112-L116 PolarHBondContact O-N 3.01Å | ||
| 113 | C | 88.7 | Confident | 90.9 | Very high | 67 Ų | 67 | 60.8 Ų | 60.8 | 45% | 0.453 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55 | -35.2 | 172.8 | -79 | 0 | 0 | 0 | 0 | 113.5 | H61 R117 | H61-C113 PolarHBondContact CD2-SG 2.82Å; H61-C113 PolarHBondContact CE1-SG 3.23Å; H61-C113 VanDerWaalsContact CG-SG 3.52Å; H61-C113 PolarHBondContact ND1-SG 3.27Å; H61-C113 VanDerWaalsContact ND1-SG 3.4Å; H61-C113 PolarHBondContact NE2-SG 2.74Å; C113-R117 WeakPolarHBondContact O-CB 3.43Å; C113-R117 PolarHBondContact O-N 2.88Å |
| 114 | R | 90.1 | Very high | 90.8 | Very high | 178 Ų | 178 | 61.1 Ų | 61.1 | 67% | 0.672 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -67 | -45.9 | -179.1 | -166.4 | 177.5 | 87.9 | 154.7 | 6 | 110.7 | D112 R117 I118 | D112-R114 PolarHBondContact O-N 3.29Å; D112-R114 VanDerWaalsContact OD1-CB 3.29Å; D112-R114 WeakPolarHBondContact OD1-CB 3.26Å; D112-R114 PolarHBondContact OD1-N 3.32Å; R114-R117 PolarHBondContact O-N 3.45Å; R114-I118 HydrophobicContact CG-CD1 4.29Å; R114-I118 VanDerWaalsContact O-CG1 3.3Å; R114-I118 WeakPolarHBondContact O-CG1 3.18Å; R114-I118 PolarHBondContact O-N 3.34Å |
| 115 | L | 86.5 | Confident | 90.7 | Very high | 58 Ų | 58 | 66 Ų | 66 | 30% | 0.304 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.9 | -40.2 | 176.6 | -66.1 | 178.1 | 0 | 0 | 0 | 111.5 | V92 V93 D112 R117 I118 S119 | V92-L115 HydrophobicContact CB-CD1 4.17Å; V92-L115 HydrophobicContact CG1-CD1 3.31Å; V93-L115 HydrophobicContact CG2-CB 3.76Å; D112-L115 HydrophobicContact CB-CB 4.24Å; D112-L115 HydrophobicContact CB-CD1 4.11Å; D112-L115 HydrophobicContact CB-CG 4.14Å; D112-L115 PolarHBondContact O-N 3.48Å; L115-R117 VanDerWaalsContact C-N 3.32Å; L115-R117 PolarHBondContact O-N 3.06Å; L115-I118 PolarHBondContact O-N 3.42Å; L115-S119 WeakPolarHBondContact O-CB 3.33Å; L115-S119 PolarHBondContact O-N 3.03Å |
| 116 | L | 89.8 | Confident | 90.7 | Very high | 19 Ų | 19 | 66.9 Ų | 66.9 | 10% | 0.099 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.4 | -48.8 | 172.1 | -179.6 | 58.9 | 0 | 0 | 0 | 111.5 | H61 F63 W108 A110 D112 I118 S119 V120 | H61-L116 HydrophobicContact CB-CD2 3.73Å; F63-L116 HydrophobicContact CB-CD1 4.1Å; F63-L116 HydrophobicContact CB-CD2 4.14Å; F63-L116 HydrophobicContact CB-CG 4.48Å; W108-L116 HydrophobicContact CB-CD1 3.37Å; W108-L116 HydrophobicContact CG-CD1 4.02Å; A110-L116 HydrophobicContact CB-CB 3.78Å; A110-L116 HydrophobicContact CB-CD1 4.25Å; A110-L116 HydrophobicContact CB-CG 4.47Å; D112-L116 PolarHBondContact O-N 3.01Å; L116-I118 VanDerWaalsContact C-N 3.35Å; L116-I118 PolarHBondContact O-N 2.93Å; L116-S119 PolarHBondContact O-N 3.4Å; L116-V120 HydrophobicContact CD1-CG2 4.14Å; L116-V120 WeakPolarHBondContact O-CB 3.23Å; L116-V120 VanDerWaalsContact O-CG2 3.28Å; L116-V120 WeakPolarHBondContact O-CG2 3.47Å; L116-V120 PolarHBondContact O-N 2.93Å |
| 117 | R | 91.4 | Very high | 90.7 | Very high | 179 Ų | 179 | 67.4 Ų | 67.4 | 68% | 0.675 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.4 | -44.5 | 179.4 | -179.5 | -179.8 | 173.1 | -145.8 | -2.9 | 111.7 | C113 R114 L115 V120 I121 | C113-R117 WeakPolarHBondContact O-CB 3.43Å; C113-R117 PolarHBondContact O-N 2.88Å; R114-R117 PolarHBondContact O-N 3.45Å; L115-R117 VanDerWaalsContact C-N 3.32Å; L115-R117 PolarHBondContact O-N 3.06Å; R117-V120 PolarHBondContact O-N 3.27Å; R117-I121 HydrophobicContact CG-CD1 3.81Å; R117-I121 VanDerWaalsContact O-CG1 3.26Å; R117-I121 WeakPolarHBondContact O-CG1 3.47Å; R117-I121 PolarHBondContact O-N 3.49Å |
| 118 | I | 91 | Very high | 90.8 | Very high | 90 Ų | 90 | 64.2 Ų | 64.2 | 46% | 0.462 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63 | -47.8 | 178.7 | -66 | 162.6 | 0 | 0 | 0 | 110.4 | R114 L115 L116 V120 I121 N122 | R114-I118 HydrophobicContact CG-CD1 4.29Å; R114-I118 VanDerWaalsContact O-CG1 3.3Å; R114-I118 WeakPolarHBondContact O-CG1 3.18Å; R114-I118 PolarHBondContact O-N 3.34Å; L115-I118 PolarHBondContact O-N 3.42Å; L116-I118 VanDerWaalsContact C-N 3.35Å; L116-I118 PolarHBondContact O-N 2.93Å; I118-V120 VanDerWaalsContact C-N 3.35Å; I118-V120 PolarHBondContact O-N 3.35Å; I118-I121 PolarHBondContact O-N 3.26Å; I118-N122 WeakPolarHBondContact O-CB 3.39Å; I118-N122 PolarHBondContact O-N 3.27Å |
| 119 | S | 89.3 | Confident | 90.9 | Very high | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.7 | -41 | 179.7 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | E87 W108 L115 L116 F123 | E87-S119 PolarHBondContact OE2-OG 3.03Å; W108-S119 PolarHBondContact NE1-OG 2.92Å; L115-S119 WeakPolarHBondContact O-CB 3.33Å; L115-S119 PolarHBondContact O-N 3.03Å; L116-S119 PolarHBondContact O-N 3.4Å; S119-F123 WeakPolarHBondContact O-CB 3.42Å; S119-F123 PolarHBondContact O-N 3.38Å |
| 120 | V | 90.9 | Very high | 91 | Very high | 20 Ų | 20 | 64.7 Ų | 64.7 | 12% | 0.121 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.7 | -45.4 | 175.8 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | F63 W108 L116 R117 I118 F123 L124 | F63-V120 HydrophobicContact CD1-CG1 4.37Å; F63-V120 HydrophobicContact CD1-CG2 3.68Å; F63-V120 HydrophobicContact CE1-CG1 3.92Å; F63-V120 HydrophobicContact CE1-CG2 4.09Å; F63-V120 HydrophobicContact CG-CG2 4.41Å; W108-V120 HydrophobicContact CD2-CG2 3.96Å; W108-V120 HydrophobicContact CE3-CG2 4.22Å; W108-V120 HydrophobicContact CG-CG2 4.31Å; W108-V120 HydrophobicContact CZ2-CG2 4.31Å; W108-V120 HydrophobicContact CZ3-CG2 4.49Å; L116-V120 HydrophobicContact CD1-CG2 4.14Å; L116-V120 WeakPolarHBondContact O-CB 3.23Å; L116-V120 VanDerWaalsContact O-CG2 3.28Å; L116-V120 WeakPolarHBondContact O-CG2 3.47Å; L116-V120 PolarHBondContact O-N 2.93Å; R117-V120 PolarHBondContact O-N 3.27Å; I118-V120 VanDerWaalsContact C-N 3.35Å; I118-V120 PolarHBondContact O-N 3.35Å; V120-F123 PolarHBondContact O-N 3.43Å; V120-L124 HydrophobicContact CG1-CD1 4.17Å; V120-L124 WeakPolarHBondContact O-CG 3.28Å; V120-L124 PolarHBondContact O-N 2.93Å |
| 121 | I | 92.8 | Very high | 91.2 | Very high | 76 Ų | 76 | 66.7 Ų | 66.7 | 39% | 0.39 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63.3 | -48.3 | 179.3 | -68.3 | 167.1 | 0 | 0 | 0 | 110.5 | R117 I118 F123 L124 D125 | R117-I121 HydrophobicContact CG-CD1 3.81Å; R117-I121 VanDerWaalsContact O-CG1 3.26Å; R117-I121 WeakPolarHBondContact O-CG1 3.47Å; R117-I121 PolarHBondContact O-N 3.49Å; I118-I121 PolarHBondContact O-N 3.26Å; I121-F123 VanDerWaalsContact C-N 3.3Å; I121-F123 PolarHBondContact O-N 2.99Å; I121-L124 WeakPolarHBondContact O-CB 3.39Å; I121-L124 PolarHBondContact O-N 3.44Å; I121-D125 PolarHBondContact O-N 3.34Å |
| 122 | N | 90.3 | Very high | 91.4 | Very high | 64 Ų | 64 | 69 Ų | 69 | 34% | 0.342 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58 | -42.7 | 177.9 | -179.3 | 38.4 | 0 | 0 | 0 | 111.7 | I118 L124 D125 Q126 | I118-N122 WeakPolarHBondContact O-CB 3.39Å; I118-N122 PolarHBondContact O-N 3.27Å; N122-L124 VanDerWaalsContact C-N 3.34Å; N122-L124 PolarHBondContact O-N 3.06Å; N122-D125 PolarHBondContact O-N 3.36Å; N122-Q126 PolarHBondContact ND2-NE2 3.37Å; N122-Q126 WeakPolarHBondContact O-CG 3.26Å; N122-Q126 PolarHBondContact O-N 3.48Å |
| 123 | F | 91.4 | Very high | 91.7 | Very high | 3 Ų | 3 | 68.9 Ų | 68.9 | 1% | 0.013 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 175.3 | 176.6 | -94.2 | 0 | 0 | 0 | 112.5 | L65 L82 K95 L97 L104 I106 W108 S119 V120 I121 D125 Q126 L127 | L65-F123 HydrophobicContact CD2-CD1 4.36Å; L65-F123 HydrophobicContact CD2-CE1 4.12Å; L82-F123 HydrophobicContact CB-CE2 4.24Å; L82-F123 HydrophobicContact CD1-CE2 4.03Å; L82-F123 HydrophobicContact CD1-CZ 3.98Å; L82-F123 HydrophobicContact CD2-CE2 4.45Å; L82-F123 HydrophobicContact CG-CE2 4.48Å; K95-F123 HydrophobicContact CD-CD2 4.39Å; L97-F123 HydrophobicContact CD1-CE2 4.31Å; L97-F123 HydrophobicContact CD1-CZ 4.29Å; L104-F123 HydrophobicContact CD2-CZ 4.39Å; I106-F123 HydrophobicContact CD1-CE1 3.63Å; I106-F123 HydrophobicContact CD1-CZ 3.62Å; I106-F123 HydrophobicContact CG1-CE1 3.85Å; I106-F123 HydrophobicContact CG1-CE2 4.19Å; I106-F123 HydrophobicContact CG1-CZ 3.5Å; W108-F123 AromaticContact CH2-CD1 3.7Å; W108-F123 HydrophobicContact CH2-CD1 3.7Å; W108-F123 HydrophobicContact CH2-CE1 4.11Å; W108-F123 HydrophobicContact CH2-CG 4.14Å; W108-F123 HydrophobicContact CZ2-CB 3.74Å; W108-F123 AromaticContact CZ2-CD1 3.64Å; W108-F123 HydrophobicContact CZ2-CD1 3.64Å; W108-F123 HydrophobicContact CZ2-CD2 4.22Å; W108-F123 HydrophobicContact CZ2-CE1 4.34Å; W108-F123 AromaticContact CZ2-CG 3.58Å; W108-F123 HydrophobicContact CZ2-CG 3.58Å; S119-F123 WeakPolarHBondContact O-CB 3.42Å; S119-F123 PolarHBondContact O-N 3.38Å; V120-F123 PolarHBondContact O-N 3.43Å; I121-F123 VanDerWaalsContact C-N 3.3Å; I121-F123 PolarHBondContact O-N 2.99Å; F123-D125 VanDerWaalsContact C-N 3.31Å; F123-D125 PolarHBondContact O-N 3.06Å; F123-Q126 PolarHBondContact O-N 3.41Å; F123-L127 HydrophobicContact CE1-CB 4.35Å; F123-L127 HydrophobicContact CE1-CD2 4.17Å; F123-L127 VanDerWaalsContact O-CB 3.29Å; F123-L127 WeakPolarHBondContact O-CB 3.4Å; F123-L127 PolarHBondContact O-N 2.98Å |
| 124 | L | 93.3 | Very high | 91.9 | Very high | 73 Ų | 73 | 67.4 Ų | 67.4 | 38% | 0.382 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.6 | -35.6 | 177.7 | -70.5 | 173.2 | 0 | 0 | 0 | 112 | L65 V120 I121 N122 L127 S128 | L65-L124 HydrophobicContact CD2-CD2 3.7Å; V120-L124 HydrophobicContact CG1-CD1 4.17Å; V120-L124 WeakPolarHBondContact O-CG 3.28Å; V120-L124 PolarHBondContact O-N 2.93Å; I121-L124 WeakPolarHBondContact O-CB 3.39Å; I121-L124 PolarHBondContact O-N 3.44Å; N122-L124 VanDerWaalsContact C-N 3.34Å; N122-L124 PolarHBondContact O-N 3.06Å; L124-L127 HydrophobicContact CD2-CD2 4.32Å; L124-L127 PolarHBondContact O-N 3.04Å; L124-S128 WeakPolarHBondContact O-CB 3.41Å; L124-S128 PolarHBondContact O-N 2.76Å |
| 125 | D | 93.7 | Very high | 91.8 | Very high | 102 Ų | 102 | 66.1 Ų | 66.1 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 174.6 | -68.8 | -29.4 | 0 | 0 | 0 | 111.3 | I121 N122 F123 S128 L129 | I121-D125 PolarHBondContact O-N 3.34Å; N122-D125 PolarHBondContact O-N 3.36Å; F123-D125 VanDerWaalsContact C-N 3.31Å; F123-D125 PolarHBondContact O-N 3.06Å; D125-S128 PolarHBondContact O-N 3.21Å; D125-L129 PolarHBondContact O-N 3.19Å |
| 126 | Q | 92.6 | Very high | 92 | Very high | 47 Ų | 47 | 73.3 Ų | 73.3 | 22% | 0.22 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.9 | -45 | 174.7 | -66.7 | 175.4 | 15.9 | 0 | 0 | 111.8 | L82 D85 N122 F123 S128 L129 V130 | L82-Q126 HydrophobicContact CD2-CB 3.75Å; D85-Q126 PolarHBondContact OD2-NE2 2.98Å; D85-Q126 PolarHBondContact OD2-OE1 2.86Å; N122-Q126 PolarHBondContact ND2-NE2 3.37Å; N122-Q126 WeakPolarHBondContact O-CG 3.26Å; N122-Q126 PolarHBondContact O-N 3.48Å; F123-Q126 PolarHBondContact O-N 3.41Å; Q126-S128 VanDerWaalsContact C-N 3.34Å; Q126-S128 PolarHBondContact O-N 3.05Å; Q126-L129 WeakPolarHBondContact O-CB 3.49Å; Q126-L129 PolarHBondContact O-N 3.07Å; Q126-V130 WeakPolarHBondContact O-CG2 3.41Å; Q126-V130 PolarHBondContact O-N 3.3Å |
| 127 | L | 94 | Very high | 91.8 | Very high | 14 Ų | 14 | 80.3 Ų | 80.3 | 7% | 0.073 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 177.2 | 174 | 64.5 | 0 | 0 | 0 | 111.3 | V67 F69 L82 L104 F123 L124 L129 V130 V131 | V67-L127 HydrophobicContact CG1-CD2 4.23Å; V67-L127 HydrophobicContact CG2-CD2 3.85Å; F69-L127 HydrophobicContact CZ-CD1 3.88Å; L82-L127 HydrophobicContact CD1-CB 4.4Å; L82-L127 HydrophobicContact CD1-CD1 3.84Å; L104-L127 HydrophobicContact CD2-CD1 4.36Å; F123-L127 HydrophobicContact CE1-CB 4.35Å; F123-L127 HydrophobicContact CE1-CD2 4.17Å; F123-L127 VanDerWaalsContact O-CB 3.29Å; F123-L127 WeakPolarHBondContact O-CB 3.4Å; F123-L127 PolarHBondContact O-N 2.98Å; L124-L127 HydrophobicContact CD2-CD2 4.32Å; L124-L127 PolarHBondContact O-N 3.04Å; L127-L129 VanDerWaalsContact C-N 3.29Å; L127-L129 PolarHBondContact O-N 3.09Å; L127-V130 PolarHBondContact O-N 3.47Å; L127-V131 HydrophobicContact CD1-CG2 4.18Å; L127-V131 HydrophobicContact CG-CG2 4.49Å; L127-V131 WeakPolarHBondContact O-CG2 3.42Å; L127-V131 PolarHBondContact O-N 2.79Å |
| 128 | S | 94.4 | Very high | 91.3 | Very high | 45 Ų | 45 | 73.8 Ų | 73.8 | 32% | 0.315 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.7 | -42.4 | 176.1 | 166.5 | 0 | 0 | 0 | 0 | 111.3 | L124 D125 Q126 V131 R132 | L124-S128 WeakPolarHBondContact O-CB 3.41Å; L124-S128 PolarHBondContact O-N 2.76Å; D125-S128 PolarHBondContact O-N 3.21Å; Q126-S128 VanDerWaalsContact C-N 3.34Å; Q126-S128 PolarHBondContact O-N 3.05Å; S128-V131 PolarHBondContact O-N 2.78Å; S128-R132 WeakPolarHBondContact O-CB 3.36Å; S128-R132 VanDerWaalsContact O-CG 3.26Å; S128-R132 WeakPolarHBondContact O-CG 3.41Å; S128-R132 PolarHBondContact O-N 3.44Å |
| 129 | L | 93.9 | Very high | 90.5 | Very high | 113 Ų | 113 | 75 Ų | 75 | 59% | 0.592 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -61.3 | -45.1 | 175.4 | 177.8 | 62.9 | 0 | 0 | 0 | 112.1 | D125 Q126 L127 R132 T133 | D125-L129 PolarHBondContact O-N 3.19Å; Q126-L129 WeakPolarHBondContact O-CB 3.49Å; Q126-L129 PolarHBondContact O-N 3.07Å; L127-L129 VanDerWaalsContact C-N 3.29Å; L127-L129 PolarHBondContact O-N 3.09Å; L129-R132 PolarHBondContact O-N 2.95Å; L129-T133 WeakPolarHBondContact O-CB 3.34Å; L129-T133 PolarHBondContact O-N 2.91Å; L129-T133 PolarHBondContact O-OG1 3.17Å |
| 130 | V | 93.2 | Very high | 89.9 | Confident | 20 Ų | 20 | 77.2 Ų | 77.2 | 12% | 0.121 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.3 | -47 | 178.6 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | A78 L82 Q126 L127 R132 T133 M134 | A78-V130 HydrophobicContact CB-CG1 4.03Å; L82-V130 HydrophobicContact CD2-CG2 3.97Å; L82-V130 HydrophobicContact CG-CG2 4.23Å; Q126-V130 WeakPolarHBondContact O-CG2 3.41Å; Q126-V130 PolarHBondContact O-N 3.3Å; L127-V130 PolarHBondContact O-N 3.47Å; V130-R132 PolarHBondContact O-N 2.86Å; V130-T133 WeakPolarHBondContact O-CB 3.37Å; V130-T133 PolarHBondContact O-N 3.37Å; V130-M134 HydrophobicContact CG1-CE 3.76Å; V130-M134 HydrophobicContact CG1-SD 4.43Å; V130-M134 WeakPolarHBondContact O-CG 3.47Å; V130-M134 PolarHBondContact O-N 2.86Å |
| 131 | V | 92.9 | Very high | 89.2 | Confident | 45 Ų | 45 | 82.2 Ų | 82.2 | 27% | 0.273 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 177 | 172 | 0 | 0 | 0 | 0 | 111.3 | F69 L127 S128 T133 M134 Q135 | F69-V131 HydrophobicContact CE1-CG2 4.13Å; L127-V131 HydrophobicContact CD1-CG2 4.18Å; L127-V131 HydrophobicContact CG-CG2 4.49Å; L127-V131 WeakPolarHBondContact O-CG2 3.42Å; L127-V131 PolarHBondContact O-N 2.79Å; S128-V131 PolarHBondContact O-N 2.78Å; V131-T133 VanDerWaalsContact C-N 3.3Å; V131-T133 PolarHBondContact O-N 2.91Å; V131-M134 HydrophobicContact CG2-CE 4.27Å; V131-M134 PolarHBondContact O-N 3.21Å; V131-Q135 WeakPolarHBondContact O-CG 3.37Å; V131-Q135 PolarHBondContact O-N 2.79Å |
| 132 | R | 93.2 | Very high | 88.2 | Confident | 165 Ų | 165 | 84.6 Ų | 84.6 | 62% | 0.623 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.3 | -38.4 | 176.8 | -73.3 | 174.3 | -176.6 | -179.6 | 2.6 | 112.2 | S128 L129 V130 Q135 R136 | S128-R132 WeakPolarHBondContact O-CB 3.36Å; S128-R132 VanDerWaalsContact O-CG 3.26Å; S128-R132 WeakPolarHBondContact O-CG 3.41Å; S128-R132 PolarHBondContact O-N 3.44Å; L129-R132 PolarHBondContact O-N 2.95Å; V130-R132 PolarHBondContact O-N 2.86Å; R132-Q135 PolarHBondContact O-N 2.84Å; R132-R136 VanDerWaalsContact O-CB 3.3Å; R132-R136 WeakPolarHBondContact O-CB 3.47Å; R132-R136 PolarHBondContact O-N 2.95Å |
| 133 | T | 93.2 | Very high | 87 | Confident | 66 Ų | 66 | 96.5 Ų | 96.5 | 41% | 0.405 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -47.6 | 176.8 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | L129 V130 V131 Q135 R136 F137 | L129-T133 WeakPolarHBondContact O-CB 3.34Å; L129-T133 PolarHBondContact O-N 2.91Å; L129-T133 PolarHBondContact O-OG1 3.17Å; V130-T133 WeakPolarHBondContact O-CB 3.37Å; V130-T133 PolarHBondContact O-N 3.37Å; V131-T133 VanDerWaalsContact C-N 3.3Å; V131-T133 PolarHBondContact O-N 2.91Å; T133-Q135 VanDerWaalsContact C-N 3.31Å; T133-Q135 PolarHBondContact O-N 2.77Å; T133-R136 PolarHBondContact O-N 2.72Å; T133-F137 HydrophobicContact CG2-CD2 3.84Å; T133-F137 HydrophobicContact CG2-CE2 4.36Å; T133-F137 WeakPolarHBondContact O-CD2 3.29Å; T133-F137 PolarHBondContact O-N 2.81Å |
| 134 | M | 91.5 | Very high | 86.8 | Confident | 35 Ų | 35 | 101.2 Ų | 101.2 | 17% | 0.172 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -62 | -38.3 | 176.4 | -70.4 | -175.4 | -64.9 | 0 | 0 | 112.5 | F69 E74 I77 A78 V130 V131 G138 | F69-M134 HydrophobicContact CD1-CE 4.23Å; F69-M134 HydrophobicContact CE1-CE 3.65Å; E74-M134 HydrophobicContact CB-SD 4.21Å; E74-M134 HydrophobicContact CG-SD 4.38Å; I77-M134 HydrophobicContact CB-SD 4.36Å; I77-M134 HydrophobicContact CG2-CG 4.5Å; I77-M134 HydrophobicContact CG2-SD 4.03Å; A78-M134 HydrophobicContact CB-CE 4.24Å; V130-M134 HydrophobicContact CG1-CE 3.76Å; V130-M134 HydrophobicContact CG1-SD 4.43Å; V130-M134 WeakPolarHBondContact O-CG 3.47Å; V130-M134 PolarHBondContact O-N 2.86Å; V131-M134 HydrophobicContact CG2-CE 4.27Å; V131-M134 PolarHBondContact O-N 3.21Å; M134-G138 WeakPolarHBondContact O-CA 3.3Å; M134-G138 PolarHBondContact O-N 2.83Å |
| 135 | Q | 88.9 | Confident | 86.4 | Confident | 151 Ų | 151 | 102.7 Ų | 102.7 | 71% | 0.706 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.4 | -36.9 | 175.7 | -73.7 | 175.5 | -7.8 | 0 | 0 | 112.7 | V131 R132 T133 | V131-Q135 WeakPolarHBondContact O-CG 3.37Å; V131-Q135 PolarHBondContact O-N 2.79Å; R132-Q135 PolarHBondContact O-N 2.84Å; T133-Q135 VanDerWaalsContact C-N 3.31Å; T133-Q135 PolarHBondContact O-N 2.77Å |
| 136 | R | 90.7 | Very high | 86 | Confident | 210 Ų | 210 | 102.7 Ų | 102.7 | 79% | 0.792 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -82.4 | -26.9 | -175.3 | -166.3 | 158.6 | -166.1 | 171.6 | 2.8 | 113.5 | R132 T133 | R132-R136 VanDerWaalsContact O-CB 3.3Å; R132-R136 WeakPolarHBondContact O-CB 3.47Å; R132-R136 PolarHBondContact O-N 2.95Å; T133-R136 PolarHBondContact O-N 2.72Å |
| 137 | F | 86.4 | Confident | 85.7 | Confident | 166 Ų | 166 | 106 Ų | 106 | 73% | 0.728 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -120.3 | 5.1 | -176.1 | -60 | -76.3 | 0 | 0 | 0 | 113.8 | T133 | T133-F137 HydrophobicContact CG2-CD2 3.84Å; T133-F137 HydrophobicContact CG2-CE2 4.36Å; T133-F137 WeakPolarHBondContact O-CD2 3.29Å; T133-F137 PolarHBondContact O-N 2.81Å |
| 138 | G | 79.1 | Confident | 85.1 | Confident | 41 Ų | 41 | 111.8 Ų | 111.8 | 42% | 0.423 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -90.1 | 167.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | M134 | M134-G138 WeakPolarHBondContact O-CA 3.3Å; M134-G138 PolarHBondContact O-N 2.83Å |
| 139 | P | 75.4 | Confident | 84.5 | Confident | 115 Ų | 115 | 116.2 Ų | 116.2 | 75% | 0.747 | 58% | 0.582 | S | S | * | * | S | Bend | cis | -83 | 159.6 | 15.5 | 30.8 | -34.5 | 0 | 0 | 0 | 114.9 | V141 | P139-V141 PolarHBondContact O-N 2.82Š|
| 140 | P | 75.9 | Confident | 83.8 | Confident | 50 Ų | 50 | 116.4 Ų | 116.4 | 33% | 0.325 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 132.5 | 176.9 | -20.5 | 31.2 | 0 | 0 | 0 | 111.5 | L73 E74 I77 | L73-P140 HydrophobicContact CD2-CB 3.63Å; L73-P140 HydrophobicContact CD2-CG 4.15Å; L73-P140 HydrophobicContact CG-CB 4.28Å; L73-P140 HydrophobicContact CG-CG 4.46Å; E74-P140 HydrophobicContact CG-CG 4.21Å; I77-P140 HydrophobicContact CD1-CB 4.04Å; I77-P140 HydrophobicContact CD1-CG 3.98Å |
| 141 | V | 75.9 | Confident | 83.1 | Confident | 126 Ų | 126 | 123.8 Ų | 123.8 | 76% | 0.764 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 138.9 | 173.3 | -63.4 | 0 | 0 | 0 | 0 | 110.2 | P139 R143 | P139-V141 PolarHBondContact O-N 2.82Å; V141-R143 PolarHBondContact O-N 2.88Å |
| 142 | S | 72.8 | Confident | 82.3 | Confident | 126 Ų | 126 | 130.4 Ų | 130.4 | 88% | 0.881 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 123 | 173.8 | -43.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 143 | R | 64.9 | Low | 81.3 | Confident | 314 Ų | 314 | 127.3 Ų | 127.3 | 100% | 1.185 | 65% | 0.648 | S | S | * | * | trans | -91 | 0 | 173.3 | -91.7 | -170.2 | 178 | -113.8 | 3.2 | 111.7 | V141 | V141-R143 PolarHBondContact O-N 2.88Š|
Retrieved 143 of 143 residues in 319.4 ms
(Link to these results)