| 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 | 36.5 | Very low | 37.2 | Very low | 240 Ų | 240 | 158.1 Ų | 158.1 | 100% | 1.182 | 84% | 0.837 | S | S | * | * | 0 | 121.8 | 0 | -79.6 | 158.3 | 128.1 | 0 | 0 | 108.2 | |||||
| 2 | C | 38.2 | Very low | 37.1 | Very low | 119 Ų | 119 | 154.7 Ų | 154.7 | 80% | 0.804 | 83% | 0.833 | S | S | * | * | trans | 46.4 | 107.7 | 163 | -50.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3 | R | 39.4 | Very low | 37.7 | Very low | 228 Ų | 228 | 152.5 Ų | 152.5 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | 49.8 | 130.6 | 86.5 | -83.9 | -174.1 | 177.6 | -160.1 | -0.4 | 112.3 | |||||
| 4 | W | 32.9 | Very low | 37.4 | Very low | 242 Ų | 242 | 155.7 Ų | 155.7 | 92% | 0.917 | 83% | 0.834 | S | S | * | * | -155.9 | 145.4 | 79.8 | -95.6 | 53.7 | 0 | 0 | 0 | 113.8 | |||||
| 5 | M | 37.1 | Very low | 37.2 | Very low | 155 Ų | 155 | 156.2 Ų | 156.2 | 76% | 0.764 | 84% | 0.835 | S | S | * | * | trans | -76.6 | 161.3 | 159.9 | -64.2 | 160.3 | 85.8 | 0 | 0 | 108.8 | ||||
| 6 | T | 41.3 | Very low | 37 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | -179.2 | 138.3 | 74.1 | 29.4 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 7 | S | 36.2 | Very low | 36.7 | Very low | 116 Ų | 116 | 154.1 Ų | 154.1 | 81% | 0.811 | 83% | 0.829 | S | S | * | * | 65.3 | 113.6 | 77.8 | -160.7 | 0 | 0 | 0 | 0 | 117 | |||||
| 8 | A | 41.8 | Very low | 36.4 | Very low | 95 Ų | 95 | 159.3 Ų | 159.3 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | trans | 174.1 | 117.8 | 140 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 9 | A | 37.5 | Very low | 36.2 | Very low | 77 Ų | 77 | 157.2 Ų | 157.2 | 64% | 0.636 | 83% | 0.829 | S | S | * | * | cis | 97.3 | 129.4 | 47.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 10 | H | 33.2 | Very low | 36.1 | Very low | 175 Ų | 175 | 153.8 Ų | 153.8 | 81% | 0.81 | 82% | 0.824 | S | S | * | * | trans | 74.4 | 116.7 | 158.4 | -55.7 | -66.1 | 0 | 0 | 0 | 120.6 | ||||
| 11 | L | 35.2 | Very low | 36 | Very low | 170 Ų | 170 | 152.4 Ų | 152.4 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | 179.3 | 118.6 | 100.1 | -101 | 135.2 | 0 | 0 | 0 | 111.9 | |||||
| 12 | C | 35.8 | Very low | 36 | Very low | 117 Ų | 117 | 147.2 Ų | 147.2 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -78.6 | 160.2 | 159 | -75.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 13 | P | 45 | Very low | 36.1 | Very low | 126 Ų | 126 | 146.6 Ų | 146.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | -131.2 | 145.4 | 119.4 | 14.9 | 4.7 | 0 | 0 | 0 | 114.4 | |||||
| 14 | K | 33.5 | Very low | 36 | Very low | 198 Ų | 198 | 141.2 Ų | 141.2 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -70.7 | 144 | 163.7 | -83.5 | 170.5 | 167.2 | 169.2 | 0 | 110.7 | ||||
| 15 | L | 33.8 | Very low | 36.3 | Very low | 163 Ų | 163 | 134.8 Ų | 134.8 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | -144.4 | 97 | 143.6 | -97.4 | 116.5 | 0 | 0 | 0 | 107.4 | ||||
| 16 | T | 34.2 | Very low | 36.4 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | 68.2 | 103.9 | 99.9 | 43.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 17 | L | 33 | Very low | 36 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -61.9 | 136.1 | 162.2 | -176.4 | 76.2 | 0 | 0 | 0 | 111 | ||||
| 18 | R | 30.6 | Very low | 36 | Very low | 248 Ų | 248 | 132.5 Ų | 132.5 | 94% | 0.936 | 80% | 0.8 | S | S | * | * | trans | -135 | 132.8 | 150.7 | -89.3 | -169.2 | 168.5 | -169.2 | -3.1 | 110.4 | ||||
| 19 | T | 32.9 | Very low | 35.6 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 73% | 0.73 | 81% | 0.806 | S | S | * | * | trans | -104.4 | 166.1 | -176.7 | -21.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 20 | A | 33.9 | Very low | 36.1 | Very low | 88 Ų | 88 | 141.8 Ų | 141.8 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 81.5 | 143.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 21 | T | 33.8 | Very low | 36.8 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | cis | -159.3 | 160.2 | 25.7 | -45.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 22 | T | 36.3 | Very low | 37.2 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -44.5 | 148.5 | 171.9 | 45.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 23 | A | 40.4 | Very low | 38 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -154.9 | 126.9 | 140.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 24 | S | 36.7 | Very low | 37.9 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -75.2 | 149.3 | 173.2 | 48.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 25 | S | 39.8 | Very low | 38.5 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -170.4 | 125.1 | 139.3 | 40.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 26 | T | 40.1 | Very low | 39 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | 38.6 | 112.1 | 137.8 | 61.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 27 | G | 32.7 | Very low | 39.3 | Very low | 69 Ų | 69 | 129.4 Ų | 129.4 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | 91.6 | 94.9 | 47.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 28 | T | 35.4 | Very low | 39.6 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -159.3 | 103.9 | 145.4 | 22.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 29 | F | 34.4 | Very low | 40.1 | Very low | 209 Ų | 209 | 124.4 Ų | 124.4 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -68.5 | 132.6 | 162.9 | -88.5 | -104.7 | 0 | 0 | 0 | 108.9 | ||||
| 30 | I | 46.5 | Very low | 40.7 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -107.1 | 122.9 | 165.2 | -60.7 | 176.3 | 0 | 0 | 0 | 107 | ||||
| 31 | P | 48.4 | Very low | 41 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 149.8 | -173.7 | 32.5 | -32.5 | 0 | 0 | 0 | 112.6 | ||
| 32 | L | 44.7 | Very low | 41.3 | Very low | 165 Ų | 165 | 125.7 Ų | 125.7 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -64 | 139 | 160.9 | -130.2 | 80.7 | 0 | 0 | 0 | 109.7 | ||
| 33 | P | 51.7 | Low | 41.7 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -87 | 134.1 | 154.6 | 29.6 | -27.3 | 0 | 0 | 0 | 110.8 | ||
| 34 | S | 44 | Very low | 42 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 161.3 | 179.4 | 48.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 35 | A | 45 | Very low | 42.5 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61 | 146 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 36 | S | 43.9 | Very low | 42.7 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 179.7 | 150.9 | 131.7 | 43.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 37 | S | 41.1 | Very low | 43.1 | Very low | 93 Ų | 93 | 133 Ų | 133 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | trans | 64.9 | 108.7 | 158.9 | -71 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 38 | F | 39 | Very low | 43.6 | Very low | 214 Ų | 214 | 135.1 Ų | 135.1 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | -159.6 | 90.7 | 102.8 | -79.4 | -65.9 | 0 | 0 | 0 | 107.7 | |||||
| 39 | A | 42 | Very low | 44.1 | Very low | 84 Ų | 84 | 135.4 Ų | 135.4 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | trans | -74.6 | 156.7 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 40 | L | 44.1 | Very low | 44.5 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 73.9 | 91.6 | 173.9 | -66.4 | 104.4 | 0 | 0 | 0 | 117.2 | ||||
| 41 | A | 40.1 | Very low | 44.1 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -111.7 | 79.3 | 137 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 42 | C | 40.9 | Very low | 43.9 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 68% | 0.682 | 80% | 0.8 | S | S | * | * | trans | -65.5 | 126.4 | 166.2 | -92.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 43 | L | 45.1 | Very low | 43.5 | Very low | 152 Ų | 152 | 125.1 Ų | 125.1 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | 26.4 | 113.1 | 123.7 | -146.3 | 87.3 | 0 | 0 | 0 | 116 | |||||
| 44 | T | 46.6 | Very low | 42.8 | Very low | 122 Ų | 122 | 124 Ų | 124 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | 167.1 | 114.1 | 124 | 36.4 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 45 | L | 46 | Very low | 42.7 | Very low | 164 Ų | 164 | 124.5 Ų | 124.5 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | -154.5 | 111.1 | 125.3 | -151 | 68.2 | 0 | 0 | 0 | 109.6 | |||||
| 46 | L | 45.2 | Very low | 43.1 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -68.6 | 144 | 166.3 | -78.5 | 140 | 0 | 0 | 0 | 109.5 | ||||
| 47 | L | 47.7 | Very low | 43.6 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -147 | 124.6 | 143.6 | -107 | 138.5 | 0 | 0 | 0 | 111 | ||||
| 48 | V | 42.9 | Very low | 43.4 | Very low | 112 Ų | 112 | 134.2 Ų | 134.2 | 68% | 0.679 | 82% | 0.819 | S | S | * | * | trans | -79.1 | 139.9 | -176.8 | 168.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 49 | T | 47.3 | Very low | 43.2 | Very low | 146 Ų | 146 | 128.6 Ų | 128.6 | 90% | 0.896 | 81% | 0.812 | S | S | * | * | trans | -139.2 | 127.2 | 140.1 | 48.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 50 | A | 42.6 | Very low | 43 | Very low | 98 Ų | 98 | 128 Ų | 128 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -80.3 | 154.1 | 178 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 51 | G | 38.5 | Very low | 42.5 | Very low | 77 Ų | 77 | 130.3 Ų | 130.3 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -167.4 | 103.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 52 | N | 44.4 | Very low | 42.2 | Very low | 174 Ų | 174 | 132.7 Ų | 132.7 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | trans | -60 | 149.3 | -178.3 | -66 | -33.2 | 0 | 0 | 0 | 113.5 | ||||
| 53 | G | 36.2 | Very low | 42.6 | Very low | 80 Ų | 80 | 132.4 Ų | 132.4 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -170.3 | 96.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 54 | A | 35.4 | Very low | 42 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -70.9 | 153.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 55 | C | 41.8 | Very low | 41.6 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 85% | 0.851 | 82% | 0.821 | S | S | * | * | trans | -71.9 | 155 | 162.9 | -72.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 56 | P | 54.9 | Low | 41.1 | Very low | 121 Ų | 121 | 132.3 Ų | 132.3 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | trans | -131.2 | 156.1 | 130.5 | 36.1 | -25.4 | 0 | 0 | 0 | 112.7 | ||||
| 57 | P | 54.7 | Low | 40.6 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -93.2 | 153.2 | 176 | 36.5 | -30.5 | 0 | 0 | 0 | 111.3 | ||||
| 58 | R | 35.5 | Very low | 40.5 | Very low | 252 Ų | 252 | 129.8 Ų | 129.8 | 95% | 0.951 | 82% | 0.823 | S | S | * | * | trans | -147.8 | 132.1 | 157.4 | -158.1 | 167.9 | -178.4 | 164.3 | -0.3 | 112.5 | ||||
| 59 | A | 36.4 | Very low | 40.4 | Very low | 95 Ų | 95 | 129.4 Ų | 129.4 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | -79.2 | 150.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 60 | G | 36 | Very low | 40.3 | Very low | 73 Ų | 73 | 126.1 Ų | 126.1 | 75% | 0.753 | 82% | 0.821 | S | S | * | * | trans | 39.5 | 126.5 | 141.8 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 61 | H | 34.5 | Very low | 40.5 | Very low | 197 Ų | 197 | 127.3 Ų | 127.3 | 91% | 0.912 | 82% | 0.818 | S | S | * | * | 171.6 | 129.2 | 93.4 | -133.6 | -101.7 | 0 | 0 | 0 | 110.5 | |||||
| 62 | E | 34.7 | Very low | 40.9 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 74% | 0.743 | 82% | 0.819 | S | S | * | * | trans | -73.4 | 178.1 | 168.3 | -95.1 | -81.3 | 106.1 | 0 | 0 | 111.8 | ||||
| 63 | P | 48.6 | Very low | 40.9 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 62% | 0.617 | 81% | 0.807 | S | S | * | * | cis | -136.2 | 165.1 | -5.1 | 32.7 | -12.7 | 0 | 0 | 0 | 115.4 | ||||
| 64 | L | 32.3 | Very low | 41.4 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | trans | -149.1 | 127.1 | 139.9 | -148.7 | 93.5 | 0 | 0 | 0 | 112.1 | ||||
| 65 | Q | 38.8 | Very low | 41.8 | Very low | 191 Ų | 191 | 133.2 Ų | 133.2 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | -65 | 143.6 | -175.2 | -62.1 | 165.5 | -20.5 | 0 | 0 | 112.7 | ||||
| 66 | G | 34.6 | Very low | 42.2 | Very low | 74 Ų | 74 | 132.7 Ų | 132.7 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | -170.5 | 78.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 67 | L | 35.5 | Very low | 42.1 | Very low | 177 Ų | 177 | 133.6 Ų | 133.6 | 93% | 0.927 | 79% | 0.786 | S | S | * | * | trans | 58.8 | 109.7 | 152.4 | -140.4 | 70.6 | 0 | 0 | 0 | 118.8 | ||||
| 68 | G | 44.5 | Very low | 41.6 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -61.7 | 135.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 69 | S | 42.2 | Very low | 42.2 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -135.8 | 93.2 | 152.8 | -168.9 | 0 | 0 | 0 | 0 | 106.6 | T71 | S69-T71 VanDerWaalsContact C-N 3.26Å; S69-T71 PolarHBondContact O-N 2.94Å | ||
| 70 | G | 43.5 | Very low | 42.7 | Very low | 77 Ų | 77 | 136.4 Ų | 136.4 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -65.5 | 93.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | N72 | G70-N72 PolarHBondContact O-N 2.79Š| ||
| 71 | T | 48 | Very low | 43.8 | Very low | 122 Ų | 122 | 139 Ų | 139 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -70.5 | 83.2 | 167.1 | -19.7 | 0 | 0 | 0 | 0 | 106.8 | S69 C73 | S69-T71 VanDerWaalsContact C-N 3.26Å; S69-T71 PolarHBondContact O-N 2.94Å; T71-C73 PolarHBondContact O-N 2.85Å | ||
| 72 | N | 47.4 | Very low | 45.5 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | trans | -59.4 | 93.2 | 165.8 | -141.9 | -3.9 | 0 | 0 | 0 | 105.4 | G70 S74 | G70-N72 PolarHBondContact O-N 2.79Å; N72-S74 PolarHBondContact O-N 2.91Å | ||
| 73 | C | 44.3 | Very low | 47.2 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 68% | 0.676 | 76% | 0.756 | S | S | * | * | trans | -73.2 | 61.9 | 168.2 | 47.1 | 0 | 0 | 0 | 0 | 108.2 | T71 W75 | T71-C73 PolarHBondContact O-N 2.85Å; C73-W75 PolarHBondContact O-N 2.78Å | ||
| 74 | S | 46.8 | Very low | 48.1 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 55% | 0.552 | 74% | 0.74 | S | S | * | * | trans | -67.9 | 90.8 | 163.7 | -172.4 | 0 | 0 | 0 | 0 | 105.8 | N72 T76 | N72-S74 PolarHBondContact O-N 2.91Å; S74-T76 PolarHBondContact O-N 2.9Å | ||
| 75 | W | 43.2 | Very low | 49.9 | Very low | 223 Ų | 223 | 130.8 Ų | 130.8 | 85% | 0.845 | 73% | 0.725 | S | S | * | * | trans | -65.9 | 67.9 | 162.8 | -66.9 | 95.9 | 0 | 0 | 0 | 108.5 | C73 L77 | C73-W75 PolarHBondContact O-N 2.78Å; W75-L77 PolarHBondContact O-N 2.77Å | ||
| 76 | T | 50.9 | Low | 51.2 | Low | 115 Ų | 115 | 125.1 Ų | 125.1 | 71% | 0.706 | 70% | 0.699 | S | S | * | * | trans | -71.4 | 74.2 | 149.4 | 52.4 | 0 | 0 | 0 | 0 | 105.6 | S74 E78 | S74-T76 PolarHBondContact O-N 2.9Å; T76-E78 PolarHBondContact O-N 2.8Å | ||
| 77 | L | 51.9 | Low | 53 | Low | 141 Ų | 141 | 124.6 Ų | 124.6 | 74% | 0.738 | 68% | 0.678 | S | S | * | * | trans | -57.8 | 95.6 | 152.1 | -172.7 | 77 | 0 | 0 | 0 | 103.4 | W75 R79 | W75-L77 PolarHBondContact O-N 2.77Å; L77-R79 VanDerWaalsContact C-N 3.28Å; L77-R79 PolarHBondContact O-N 2.79Å | ||
| 78 | E | 43.2 | Very low | 54.4 | Low | 149 Ų | 149 | 121.7 Ų | 121.7 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | trans | -39.9 | 107.3 | 160 | -110.5 | -179.8 | 131.9 | 0 | 0 | 104.6 | T76 H80 | T76-E78 PolarHBondContact O-N 2.8Å; E78-H80 PolarHBondContact O-N 2.74Å | ||
| 79 | R | 48.3 | Very low | 55.5 | Low | 232 Ų | 232 | 120.5 Ų | 120.5 | 88% | 0.875 | 65% | 0.648 | S | S | * | * | trans | -67 | 82.1 | 168.8 | -77.9 | -173.7 | -102 | 147.8 | -7.4 | 103.4 | L77 T81 | L77-R79 VanDerWaalsContact C-N 3.28Å; L77-R79 PolarHBondContact O-N 2.79Å; R79-T81 PolarHBondContact O-N 2.93Å | ||
| 80 | H | 48.6 | Very low | 57.3 | Low | 151 Ų | 151 | 120.7 Ų | 120.7 | 70% | 0.699 | 64% | 0.64 | S | S | * | * | trans | -55.4 | 97.8 | 167.7 | -98.2 | -88.7 | 0 | 0 | 0 | 104.7 | E78 R82 | E78-H80 PolarHBondContact O-N 2.74Å; H80-R82 PolarHBondContact O-N 2.89Å | ||
| 81 | T | 58.2 | Low | 59.6 | Low | 129 Ų | 129 | 119.9 Ų | 119.9 | 79% | 0.791 | 62% | 0.62 | S | S | * | * | trans | -60.6 | 98.6 | 167.8 | -64.8 | 0 | 0 | 0 | 0 | 104.2 | R79 S83 | R79-T81 PolarHBondContact O-N 2.93Å; T81-S83 VanDerWaalsContact C-N 3.33Å; T81-S83 PolarHBondContact O-N 2.68Å | ||
| 82 | R | 69.9 | Low | 61.9 | Low | 184 Ų | 184 | 114.6 Ų | 114.6 | 69% | 0.694 | 59% | 0.586 | S | S | * | * | trans | -60.4 | 103.2 | 173.4 | -69.6 | -173.6 | 176.5 | -171 | -4.7 | 105.8 | H80 Y84 | H80-R82 PolarHBondContact O-N 2.89Å; R82-Y84 HydrophobicContact CB-CD2 4.11Å; R82-Y84 HydrophobicContact CB-CE2 3.48Å; R82-Y84 VanDerWaalsContact CB-CE2 3.48Å; R82-Y84 WeakPolarHBondContact CD-OH 3.27Å; R82-Y84 WeakPolarHBondContact O-CD2 3.34Å; R82-Y84 PolarHBondContact O-N 2.88Å | ||
| 83 | S | 69.9 | Low | 64.2 | Low | 85 Ų | 85 | 111 Ų | 111 | 59% | 0.594 | 57% | 0.566 | S | S | * | * | trans | -68.8 | 117.5 | 175.7 | -167.9 | 0 | 0 | 0 | 0 | 107.8 | T81 N85 | T81-S83 VanDerWaalsContact C-N 3.33Å; T81-S83 PolarHBondContact O-N 2.68Å; S83-N85 PolarHBondContact OG-OD1 2.67Å | ||
| 84 | Y | 67.4 | Low | 66.7 | Low | 71 Ų | 71 | 108 Ų | 108 | 28% | 0.278 | 54% | 0.541 | S | S | . | . | trans | -114.1 | 90.9 | 177 | -67.9 | -70.3 | 0 | 0 | 0 | 108.2 | R82 H86 L87 I170 | R82-Y84 HydrophobicContact CB-CD2 4.11Å; R82-Y84 HydrophobicContact CB-CE2 3.48Å; R82-Y84 VanDerWaalsContact CB-CE2 3.48Å; R82-Y84 WeakPolarHBondContact CD-OH 3.27Å; R82-Y84 WeakPolarHBondContact O-CD2 3.34Å; R82-Y84 PolarHBondContact O-N 2.88Å; Y84-H86 AromaticContact CD1-CE1 3.54Å; Y84-H86 AromaticContact CG-CE1 3.96Å; Y84-H86 PolarHBondContact O-N 3.22Å; Y84-L87 HydrophobicContact CD2-CD1 3.9Å; Y84-L87 HydrophobicContact CG-CD1 4.05Å; Y84-L87 HydrophobicContact CG-CG 4.44Å; Y84-L87 WeakPolarHBondContact O-CA 3.17Å; Y84-L87 WeakPolarHBondContact O-CB 3.49Å; Y84-L87 PolarHBondContact O-N 2.82Å; Y84-I170 HydrophobicContact CD1-CD1 3.99Å; Y84-I170 HydrophobicContact CD2-CD1 3.75Å; Y84-I170 HydrophobicContact CE1-CD1 3.82Å; Y84-I170 HydrophobicContact CE2-CD1 3.58Å; Y84-I170 HydrophobicContact CG-CD1 3.95Å | ||
| 85 | N | 70.9 | Confident | 69.1 | Low | 109 Ų | 109 | 105.3 Ų | 105.3 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -56.2 | -27.9 | -177.2 | -55.5 | 9.2 | 0 | 0 | 0 | 112.5 | S83 L87 E88 | S83-N85 PolarHBondContact OG-OD1 2.67Å; N85-L87 PolarHBondContact O-N 2.87Å; N85-E88 WeakPolarHBondContact O-CB 3.42Å; N85-E88 PolarHBondContact O-N 3.04Å; N85-E88 VanDerWaalsContact O-N 3.16Å |
| 86 | H | 65.9 | Low | 71.7 | Confident | 72 Ų | 72 | 94.7 Ų | 94.7 | 33% | 0.333 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -73.6 | -9.9 | 177 | 69.7 | -91.5 | 0 | 0 | 0 | 114.5 | Y84 R92 | Y84-H86 AromaticContact CD1-CE1 3.54Å; Y84-H86 AromaticContact CG-CE1 3.96Å; Y84-H86 PolarHBondContact O-N 3.22Å; H86-R92 VanDerWaalsContact O-CD 3.24Å; H86-R92 WeakPolarHBondContact O-CD 3.27Å |
| 87 | L | 71.6 | Confident | 73.9 | Confident | 63 Ų | 63 | 91.7 Ų | 91.7 | 33% | 0.33 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -95.5 | -8.5 | 171 | -56.2 | -176.3 | 0 | 0 | 0 | 112.4 | Y84 N85 I170 | Y84-L87 HydrophobicContact CD2-CD1 3.9Å; Y84-L87 HydrophobicContact CG-CD1 4.05Å; Y84-L87 HydrophobicContact CG-CG 4.44Å; Y84-L87 WeakPolarHBondContact O-CA 3.17Å; Y84-L87 WeakPolarHBondContact O-CB 3.49Å; Y84-L87 PolarHBondContact O-N 2.82Å; N85-L87 PolarHBondContact O-N 2.87Å; L87-I170 HydrophobicContact CD1-CD1 4.04Å |
| 88 | E | 65.8 | Low | 76.1 | Confident | 116 Ų | 116 | 85 Ų | 85 | 54% | 0.542 | 42% | 0.419 | S | S | . | . | trans | -68.7 | 144.4 | 179.3 | -66.4 | 171.4 | -177.1 | 0 | 0 | 111.2 | N85 | N85-E88 WeakPolarHBondContact O-CB 3.42Å; N85-E88 PolarHBondContact O-N 3.04Å; N85-E88 VanDerWaalsContact O-N 3.16Å | ||
| 89 | G | 67.1 | Low | 78.7 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 58% | 0.577 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 90.1 | 142.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V91 | G89-V91 PolarHBondContact O-N 3.29Š|
| 90 | D | 80.1 | Confident | 81.1 | Confident | 108 Ų | 108 | 69.7 Ų | 69.7 | 58% | 0.578 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -65.3 | -29.8 | 178.2 | -172 | 35.1 | 0 | 0 | 0 | 112.2 | R128 S129 | D90-R128 WeakPolarHBondContact O-CA 3.31Å; D90-S129 PolarHBondContact O-N 2.9Å |
| 91 | V | 92.6 | Very high | 83.4 | Confident | 60 Ų | 60 | 67.6 Ų | 67.6 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.3 | -177.2 | -174 | 0 | 0 | 0 | 0 | 110.5 | G89 E126 R128 | G89-V91 PolarHBondContact O-N 3.29Å; V91-E126 HydrophobicContact CG1-CG 3.38Å; V91-R128 HydrophobicContact CG1-CG 4.2Å; V91-R128 HydrophobicContact CG2-CG 3.99Å |
| 92 | R | 95.3 | Very high | 85.4 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 5% | 0.045 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 116.1 | -177.2 | -60.3 | 171.3 | -72.4 | 160.5 | -6.6 | 110.9 | H86 R94 I127 E168 | H86-R92 VanDerWaalsContact O-CD 3.24Å; H86-R92 WeakPolarHBondContact O-CD 3.27Å; R92-R94 HydrophobicContact CB-CG 4.25Å; R92-I127 HydrophobicContact CB-CB 4.38Å; R92-I127 PolarHBondContact N-O 3.01Å; R92-I127 VanDerWaalsContact NH2-CG2 3.33Å; R92-I127 PolarHBondContact O-N 2.96Å; R92-E168 IonicContact CZ-OE2 3.52Å; R92-E168 IonicContact NH1-OE1 3.77Å; R92-E168 IonicContact NH1-OE2 3.29Å; R92-E168 PolarHBondContact NH1-OE2 2.7Å; R92-E168 IonicContact NH2-OE1 3.97Å; R92-E168 IonicContact NH2-OE2 2.78Å; R92-E168 PolarHBondContact NH2-OE2 2.76Å |
| 93 | L | 95.8 | Very high | 86.7 | Confident | 75 Ų | 75 | 54.1 Ų | 54.1 | 39% | 0.393 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 113.8 | 172.5 | -62.8 | -177.9 | 0 | 0 | 0 | 110.2 | M125 E126 V140 P220 | L93-M125 CarbonylContact C-O 3.57Å; L93-M125 WeakPolarHBondContact CA-O 3.24Å; L93-E126 HydrophobicContact CD2-CB 3.95Å; L93-E126 HydrophobicContact CD2-CG 4.07Å; L93-V140 HydrophobicContact CD2-CG2 3.87Å; L93-P220 WeakPolarHBondContact O-CD 3.35Å |
| 94 | R | 96.5 | Very high | 88.1 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 158.6 | -174.3 | -58.5 | -66.3 | 179.3 | -94.8 | 0.1 | 111.6 | R92 M125 I127 P217 M218 | R92-R94 HydrophobicContact CB-CG 4.25Å; R94-M125 PolarHBondContact N-O 3.23Å; R94-M125 WeakPolarHBondContact O-CA 3.26Å; R94-M125 WeakPolarHBondContact O-CB 3.29Å; R94-M125 PolarHBondContact O-N 2.95Å; R94-M125 VanDerWaalsContact O-O 3.1Å; R94-I127 HydrophobicContact CB-CD1 4.11Å; R94-I127 HydrophobicContact CG-CD1 4.3Å; R94-P217 HydrophobicContact CB-CB 4.18Å; R94-P217 HydrophobicContact CG-CB 4.1Å; R94-M218 CarbonylContact C-O 3.59Å; R94-M218 WeakPolarHBondContact CA-O 3.26Å; R94-M218 WeakPolarHBondContact CB-O 3.14Å; R94-M218 WeakPolarHBondContact CD-O 3.43Å |
| 95 | R | 97.4 | Very high | 89.5 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 9% | 0.087 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 127.3 | 163.4 | -64.2 | -176.3 | 172.6 | 110.3 | 3.1 | 108.4 | Y97 F103 K118 L124 M218 P220 S221 | R95-Y97 PolarHBondContact O-N 3.26Å; R95-F103 HydrophobicContact CB-CD1 3.76Å; R95-F103 HydrophobicContact CB-CE1 4.05Å; R95-K118 VanDerWaalsContact CD-O 3.28Å; R95-K118 WeakPolarHBondContact CD-O 3.47Å; R95-K118 PolarHBondContact NE-O 2.86Å; R95-K118 VanDerWaalsContact NE-O 3.09Å; R95-L124 HydrophobicContact CG-CD1 4.39Å; R95-M218 PolarHBondContact N-O 3.07Å; R95-M218 PolarHBondContact O-N 3.44Å; R95-P220 VanDerWaalsContact NH1-CA 3.27Å; R95-S221 PolarHBondContact NH1-O 3.36Å |
| 96 | L | 98.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 98 | -179.9 | -68.2 | 176.3 | 0 | 0 | 0 | 110.2 | F103 L104 M125 I127 I137 Y178 F215 P217 | L96-F103 WeakPolarHBondContact O-CA 3.26Å; L96-L104 HydrophobicContact CB-CB 4.1Å; L96-L104 HydrophobicContact CD1-CD2 3.98Å; L96-L104 PolarHBondContact O-N 3.21Å; L96-M125 HydrophobicContact CD1-CG 4.43Å; L96-I127 HydrophobicContact CD2-CD1 3.89Å; L96-I137 HydrophobicContact CD1-CD1 4.05Å; L96-I137 HydrophobicContact CD1-CG2 4.09Å; L96-Y178 HydrophobicContact CD1-CE2 4.38Å; L96-Y178 HydrophobicContact CD2-CE2 3.96Å; L96-F215 HydrophobicContact CB-CB 4.49Å; L96-F215 HydrophobicContact CB-CD1 4.13Å; L96-P217 HydrophobicContact CD2-CB 4.28Å; L96-P217 HydrophobicContact CD2-CG 4.22Å |
| 97 | Y | 98.1 | Very high | 92.3 | Very high | 51 Ų | 51 | 40.8 Ų | 40.8 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 109.7 | -178.6 | -173.8 | -115.6 | 0 | 0 | 0 | 111.4 | R95 K101 F103 F215 L216 M218 | R95-Y97 PolarHBondContact O-N 3.26Å; Y97-K101 HydrophobicContact CE1-CD 4.05Å; Y97-K101 WeakPolarHBondContact OH-CA 3.31Å; Y97-K101 WeakPolarHBondContact OH-CB 3.44Å; Y97-K101 WeakPolarHBondContact OH-CD 3.39Å; Y97-F103 AromaticContact CD2-CD1 3.77Å; Y97-F103 HydrophobicContact CD2-CD1 3.77Å; Y97-F103 HydrophobicContact CD2-CD2 4.24Å; Y97-F103 AromaticContact CD2-CE1 3.52Å; Y97-F103 HydrophobicContact CD2-CE1 3.52Å; Y97-F103 AromaticContact CD2-CE2 3.99Å; Y97-F103 HydrophobicContact CD2-CE2 3.99Å; Y97-F103 HydrophobicContact CD2-CG 4.14Å; Y97-F103 AromaticContact CD2-CZ 3.63Å; Y97-F103 HydrophobicContact CD2-CZ 3.63Å; Y97-F103 HydrophobicContact CE2-CE1 4.4Å; Y97-F103 HydrophobicContact CE2-CE2 4.17Å; Y97-F103 HydrophobicContact CE2-CZ 4.07Å; Y97-F103 HydrophobicContact CG-CD1 4.36Å; Y97-F103 HydrophobicContact CG-CE1 4.01Å; Y97-F103 HydrophobicContact CG-CZ 4.42Å; Y97-F215 CarbonylContact O-C 3.52Å; Y97-F215 WeakPolarHBondContact O-CA 3.13Å; Y97-L216 PolarHBondContact N-O 3.43Å; Y97-L216 PolarHBondContact O-N 3.15Å; Y97-M218 VanDerWaalsContact CB-SD 3.53Å; Y97-M218 HydrophobicContact CD1-SD 4.08Å; Y97-M218 HydrophobicContact CG-SD 3.82Å |
| 98 | S | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 146.6 | 177.8 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | N100 K101 F102 H214 | S98-N100 PolarHBondContact O-N 3.43Å; S98-N100 VanDerWaalsContact O-N 3.07Å; S98-N100 PolarHBondContact OG-N 2.81Å; S98-K101 WeakPolarHBondContact O-CA 3.43Å; S98-K101 PolarHBondContact O-N 3.09Å; S98-F102 WeakPolarHBondContact CB-O 3.45Å; S98-F102 PolarHBondContact N-O 2.9Å; S98-H214 CarbonylContact C-O 3.51Å; S98-H214 VanDerWaalsContact CA-O 3.3Å; S98-H214 WeakPolarHBondContact CA-O 3.29Å |
| 99 | A | 97.9 | Very high | 95.1 | Very high | 22 Ų | 22 | 46.4 Ų | 46.4 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -26.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K101 Y175 P211 H214 | A99-K101 PolarHBondContact O-N 3.45Å; A99-K101 VanDerWaalsContact O-N 3.16Å; A99-Y175 HydrophobicContact CB-CD1 4.39Å; A99-Y175 HydrophobicContact CB-CE1 3.96Å; A99-P211 HydrophobicContact CB-CB 4.22Å; A99-H214 HydrophobicContact CB-CB 3.86Å; A99-H214 PolarHBondContact N-O 3.09Å |
| 100 | N | 97.8 | Very high | 96.5 | Very high | 39 Ų | 39 | 44.2 Ų | 44.2 | 21% | 0.209 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 10.3 | 172.9 | -71 | -22.2 | 0 | 0 | 0 | 114.3 | S98 F102 L194 N195 | S98-N100 PolarHBondContact O-N 3.43Å; S98-N100 VanDerWaalsContact O-N 3.07Å; S98-N100 PolarHBondContact OG-N 2.81Å; N100-F102 HydrophobicContact CB-CD2 4.17Å; N100-F102 WeakPolarHBondContact O-CD2 3.37Å; N100-F102 WeakPolarHBondContact O-CE2 3.47Å; N100-L194 PolarHBondContact ND2-O 3.09Å; N100-N195 VanDerWaalsContact ND2-C 3.29Å; N100-N195 PolarHBondContact ND2-O 3.15Å |
| 101 | K | 97.8 | Very high | 97.4 | Very high | 107 Ų | 107 | 44.5 Ų | 44.5 | 47% | 0.465 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 69.2 | 40 | 174.2 | -44.7 | -65.2 | 177.3 | 174.7 | 0 | 114.4 | Y97 S98 A99 R116 | Y97-K101 HydrophobicContact CE1-CD 4.05Å; Y97-K101 WeakPolarHBondContact OH-CA 3.31Å; Y97-K101 WeakPolarHBondContact OH-CB 3.44Å; Y97-K101 WeakPolarHBondContact OH-CD 3.39Å; S98-K101 WeakPolarHBondContact O-CA 3.43Å; S98-K101 PolarHBondContact O-N 3.09Å; A99-K101 PolarHBondContact O-N 3.45Å; A99-K101 VanDerWaalsContact O-N 3.16Å; K101-R116 PolarHBondContact O-NH1 3.24Å |
| 102 | F | 98.4 | Very high | 97.7 | Very high | 15 Ų | 15 | 41.7 Ų | 41.7 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | trans | -132.2 | 141 | 174.9 | -63.8 | -88.7 | 0 | 0 | 0 | 110.9 | S98 N100 T115 R116 L194 G196 G198 | S98-F102 WeakPolarHBondContact CB-O 3.45Å; S98-F102 PolarHBondContact N-O 2.9Å; N100-F102 HydrophobicContact CB-CD2 4.17Å; N100-F102 WeakPolarHBondContact O-CD2 3.37Å; N100-F102 WeakPolarHBondContact O-CE2 3.47Å; F102-T115 CarbonylContact C-O 3.49Å; F102-T115 WeakPolarHBondContact CA-O 3.19Å; F102-R116 HydrophobicContact CD1-CG 3.74Å; F102-R116 HydrophobicContact CE1-CG 3.67Å; F102-R116 VanDerWaalsContact CZ-NH2 3.31Å; F102-L194 HydrophobicContact CB-CD1 4.06Å; F102-G196 WeakPolarHBondContact CE2-O 3.46Å; F102-G198 VanDerWaalsContact CE2-N 3.27Å | ||
| 103 | F | 98.4 | Very high | 97.8 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 7% | 0.066 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 131.1 | 164.9 | -60.7 | -77.4 | 0 | 0 | 0 | 109.8 | R95 L96 Y97 C105 G114 T115 K118 M218 | R95-F103 HydrophobicContact CB-CD1 3.76Å; R95-F103 HydrophobicContact CB-CE1 4.05Å; L96-F103 WeakPolarHBondContact O-CA 3.26Å; Y97-F103 AromaticContact CD2-CD1 3.77Å; Y97-F103 HydrophobicContact CD2-CD1 3.77Å; Y97-F103 HydrophobicContact CD2-CD2 4.24Å; Y97-F103 AromaticContact CD2-CE1 3.52Å; Y97-F103 HydrophobicContact CD2-CE1 3.52Å; Y97-F103 AromaticContact CD2-CE2 3.99Å; Y97-F103 HydrophobicContact CD2-CE2 3.99Å; Y97-F103 HydrophobicContact CD2-CG 4.14Å; Y97-F103 AromaticContact CD2-CZ 3.63Å; Y97-F103 HydrophobicContact CD2-CZ 3.63Å; Y97-F103 HydrophobicContact CE2-CE1 4.4Å; Y97-F103 HydrophobicContact CE2-CE2 4.17Å; Y97-F103 HydrophobicContact CE2-CZ 4.07Å; Y97-F103 HydrophobicContact CG-CD1 4.36Å; Y97-F103 HydrophobicContact CG-CE1 4.01Å; Y97-F103 HydrophobicContact CG-CZ 4.42Å; F103-C105 PolarHBondContact O-N 2.95Å; F103-G114 CarbonylContact O-C 3.51Å; F103-G114 WeakPolarHBondContact O-CA 3.49Å; F103-T115 HydrophobicContact CB-CG2 4.04Å; F103-T115 PolarHBondContact N-O 2.96Å; F103-T115 PolarHBondContact O-N 3.39Å; F103-K118 HydrophobicContact CE2-CB 4.32Å; F103-K118 HydrophobicContact CE2-CG 4.42Å; F103-K118 HydrophobicContact CZ-CG 4.25Å; F103-M218 HydrophobicContact CE1-SD 3.94Å; F103-M218 HydrophobicContact CZ-SD 4.41Å |
| 104 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 132.9 | 170.3 | -172 | 72 | 0 | 0 | 0 | 109.5 | L96 V112 S123 M125 L146 L194 F215 | L96-L104 HydrophobicContact CB-CB 4.1Å; L96-L104 HydrophobicContact CD1-CD2 3.98Å; L96-L104 PolarHBondContact O-N 3.21Å; L104-V112 HydrophobicContact CD1-CG1 3.56Å; L104-V112 HydrophobicContact CG-CG1 4.4Å; L104-S123 WeakPolarHBondContact O-CA 3.27Å; L104-S123 WeakPolarHBondContact O-CB 3.46Å; L104-M125 HydrophobicContact CG-CE 4.46Å; L104-M125 WeakPolarHBondContact O-CE 3.31Å; L104-L146 HydrophobicContact CD2-CD1 4.46Å; L104-L146 HydrophobicContact CD2-CD2 3.89Å; L104-L194 HydrophobicContact CD1-CD1 4.15Å; L104-L194 HydrophobicContact CD1-CD2 3.91Å; L104-L194 HydrophobicContact CD1-CG 4.21Å; L104-F215 HydrophobicContact CB-CE1 4.41Å |
| 105 | C | 97.9 | Very high | 98 | Very high | 11 Ų | 11 | 38.6 Ų | 38.6 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 154.6 | 172.4 | 60.2 | 0 | 0 | 0 | 0 | 112.1 | F103 V112 D113 T115 Y120 D122 | F103-C105 PolarHBondContact O-N 2.95Å; C105-V112 WeakPolarHBondContact O-CA 3.42Å; C105-D113 PolarHBondContact N-O 3.16Å; C105-D113 PolarHBondContact O-N 3.46Å; C105-D113 PolarHBondContact SG-O 3.12Å; C105-T115 HydrophobicContact CB-CG2 4.33Å; C105-Y120 HydrophobicContact CB-CD1 4.18Å; C105-Y120 HydrophobicContact CB-CE1 4.37Å; C105-D122 WeakPolarHBondContact CA-O 3.36Å; C105-D122 HydrophobicContact CB-CB 4.22Å; C105-D122 VanDerWaalsContact CB-O 3.25Å; C105-D122 WeakPolarHBondContact CB-O 3.37Å |
| 106 | I | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 113 | 175.2 | -48.8 | 178.7 | 0 | 0 | 0 | 107.5 | K111 V112 D122 M125 T142 L144 L146 | I106-K111 WeakPolarHBondContact CA-O 3.27Å; I106-V112 HydrophobicContact CG1-CG2 4.28Å; I106-D122 PolarHBondContact N-O 3.15Å; I106-D122 VanDerWaalsContact N-O 3.15Å; I106-M125 HydrophobicContact CD1-CE 4.49Å; I106-M125 HydrophobicContact CD1-SD 4.4Å; I106-M125 HydrophobicContact CG1-CE 4.05Å; I106-T142 VanDerWaalsContact O-CG2 3.26Å; I106-T142 WeakPolarHBondContact O-CG2 3.07Å; I106-T142 PolarHBondContact O-OG1 2.99Å; I106-L144 HydrophobicContact CG2-CB 4.08Å; I106-L144 HydrophobicContact CG2-CD1 4.06Å; I106-L146 HydrophobicContact CD1-CB 3.97Å; I106-L146 HydrophobicContact CD1-CD1 4.2Å |
| 107 | D | 97.1 | Very high | 97.8 | Very high | 45 Ų | 45 | 53.4 Ų | 53.4 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | trans | -75 | 171.3 | 179.7 | 75.4 | 14.3 | 0 | 0 | 0 | 112.2 | T109 G110 K111 L144 | D107-T109 PolarHBondContact O-N 3.44Å; D107-T109 VanDerWaalsContact OD1-CA 3.29Å; D107-T109 WeakPolarHBondContact OD1-CA 3.34Å; D107-T109 WeakPolarHBondContact OD1-CB 3.45Å; D107-T109 PolarHBondContact OD1-N 3.47Å; D107-T109 PolarHBondContact OD1-OG1 2.88Å; D107-T109 PolarHBondContact OD2-OG1 3.41Å; D107-T109 VanDerWaalsContact OD2-OG1 3.11Å; D107-G110 PolarHBondContact O-N 3.15Å; D107-G110 PolarHBondContact OD1-N 3.37Å; D107-K111 PolarHBondContact N-O 3.38Å; D107-K111 WeakPolarHBondContact OD1-CB 3.5Å; D107-K111 PolarHBondContact OD1-N 2.83Å; D107-K111 VanDerWaalsContact OD2-CB 3.3Å; D107-K111 WeakPolarHBondContact OD2-CB 3.21Å; D107-L144 WeakPolarHBondContact O-CD1 3.38Å | ||
| 108 | K | 97.6 | Very high | 97.4 | Very high | 179 Ų | 179 | 56.5 Ų | 56.5 | 78% | 0.778 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -21 | 179.1 | -62.6 | -178.4 | -178 | -177.7 | 0 | 113.4 | G110 T142 | K108-G110 VanDerWaalsContact C-N 3.27Å; K108-T142 HydrophobicContact CG-CG2 3.92Å |
| 109 | T | 97.8 | Very high | 96.9 | Very high | 119 Ų | 119 | 61.7 Ų | 61.7 | 73% | 0.73 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.1 | 176.8 | 78.7 | 0 | 0 | 0 | 0 | 112.4 | D107 | D107-T109 PolarHBondContact O-N 3.44Å; D107-T109 VanDerWaalsContact OD1-CA 3.29Å; D107-T109 WeakPolarHBondContact OD1-CA 3.34Å; D107-T109 WeakPolarHBondContact OD1-CB 3.45Å; D107-T109 PolarHBondContact OD1-N 3.47Å; D107-T109 PolarHBondContact OD1-OG1 2.88Å; D107-T109 PolarHBondContact OD2-OG1 3.41Å; D107-T109 VanDerWaalsContact OD2-OG1 3.11Å |
| 110 | G | 97.8 | Very high | 96.7 | Very high | 10 Ų | 10 | 64.6 Ų | 64.6 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | S | Bend | trans | 84.3 | 13 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | D107 K108 F155 G156 | D107-G110 PolarHBondContact O-N 3.15Å; D107-G110 PolarHBondContact OD1-N 3.37Å; K108-G110 VanDerWaalsContact C-N 3.27Å; G110-F155 CarbonylContact O-C 3.59Å; G110-F155 WeakPolarHBondContact O-CA 3.26Å; G110-G156 PolarHBondContact O-N 3.29Å |
| 111 | K | 98.1 | Very high | 96.5 | Very high | 113 Ų | 113 | 65.7 Ų | 65.7 | 49% | 0.491 | 32% | 0.315 | S | S | . | . | trans | -78.6 | 133.3 | 170.5 | -175.6 | -172.1 | 173.5 | -173 | 0 | 109.3 | I106 D107 D113 | I106-K111 WeakPolarHBondContact CA-O 3.27Å; D107-K111 PolarHBondContact N-O 3.38Å; D107-K111 WeakPolarHBondContact OD1-CB 3.5Å; D107-K111 PolarHBondContact OD1-N 2.83Å; D107-K111 VanDerWaalsContact OD2-CB 3.3Å; D107-K111 WeakPolarHBondContact OD2-CB 3.21Å; K111-D113 IonicContact NZ-OD2 3.7Å | ||
| 112 | V | 98.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 131.6 | 174.8 | -179.8 | 0 | 0 | 0 | 0 | 108.7 | L104 C105 I106 L146 L154 P200 | L104-V112 HydrophobicContact CD1-CG1 3.56Å; L104-V112 HydrophobicContact CG-CG1 4.4Å; C105-V112 WeakPolarHBondContact O-CA 3.42Å; I106-V112 HydrophobicContact CG1-CG2 4.28Å; V112-L146 HydrophobicContact CG1-CD1 4.09Å; V112-L146 HydrophobicContact CG2-CD1 3.76Å; V112-L154 HydrophobicContact CB-CB 4.05Å; V112-L154 HydrophobicContact CG1-CB 4.17Å; V112-L154 HydrophobicContact CG1-CD1 4.3Å; V112-L154 HydrophobicContact CG2-CB 4.1Å; V112-P200 WeakPolarHBondContact O-CD 3.36Å; V112-P200 VanDerWaalsContact O-CG 3.28Å; V112-P200 WeakPolarHBondContact O-CG 3.4Å |
| 113 | D | 98.2 | Very high | 96.3 | Very high | 24 Ų | 24 | 61 Ų | 61 | 13% | 0.128 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | -179.5 | -179.8 | -142.8 | -35.2 | 0 | 0 | 0 | 111 | C105 K111 K199 | C105-D113 PolarHBondContact N-O 3.16Å; C105-D113 PolarHBondContact O-N 3.46Å; C105-D113 PolarHBondContact SG-O 3.12Å; K111-D113 IonicContact NZ-OD2 3.7Å; D113-K199 WeakPolarHBondContact OD1-CD 3.26Å; D113-K199 IonicContact OD1-NZ 2.92Å; D113-K199 PolarHBondContact OD1-NZ 2.83Å; D113-K199 IonicContact OD2-NZ 3.71Å; D113-K199 PolarHBondContact OD2-NZ 2.85Å |
| 114 | G | 98.2 | Very high | 96.3 | Very high | 14 Ų | 14 | 61.9 Ų | 61.9 | 14% | 0.144 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | F103 G198 | F103-G114 CarbonylContact O-C 3.51Å; F103-G114 WeakPolarHBondContact O-CA 3.49Å; G114-G198 VanDerWaalsContact CA-O 3.23Å; G114-G198 WeakPolarHBondContact CA-O 3.25Å; G114-G198 PolarHBondContact N-O 3.15Å |
| 115 | T | 97.6 | Very high | 96.3 | Very high | 21 Ų | 21 | 61.9 Ų | 61.9 | 13% | 0.129 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 148.9 | 176.3 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | F102 F103 C105 R117 Y120 | F102-T115 CarbonylContact C-O 3.49Å; F102-T115 WeakPolarHBondContact CA-O 3.19Å; F103-T115 HydrophobicContact CB-CG2 4.04Å; F103-T115 PolarHBondContact N-O 2.96Å; F103-T115 PolarHBondContact O-N 3.39Å; C105-T115 HydrophobicContact CB-CG2 4.33Å; T115-R117 PolarHBondContact OG1-N 2.87Å; T115-Y120 HydrophobicContact CG2-CD1 3.83Å; T115-Y120 HydrophobicContact CG2-CG 4.21Å |
| 116 | R | 96.9 | Very high | 96.3 | Very high | 159 Ų | 159 | 62.9 Ų | 62.9 | 60% | 0.6 | 31% | 0.305 | S | S | * | . | trans | -90.3 | -10.1 | 171.5 | -64.2 | -175.7 | -179.1 | -83.4 | 7.2 | 112.6 | K101 F102 K118 | K101-R116 PolarHBondContact O-NH1 3.24Å; F102-R116 HydrophobicContact CD1-CG 3.74Å; F102-R116 HydrophobicContact CE1-CG 3.67Å; F102-R116 VanDerWaalsContact CZ-NH2 3.31Å; R116-K118 PolarHBondContact O-N 3.37Å | ||
| 117 | R | 95.1 | Very high | 96.2 | Very high | 176 Ų | 176 | 62.9 Ų | 62.9 | 66% | 0.664 | 31% | 0.305 | S | S | * | . | trans | -72.7 | 118.9 | -178.3 | -64.9 | -178.8 | -178.2 | -172.8 | -1.1 | 109.8 | T115 N119 | T115-R117 PolarHBondContact OG1-N 2.87Å; R117-N119 PolarHBondContact O-N 2.96Å | ||
| 118 | K | 88.1 | Confident | 96.2 | Very high | 115 Ų | 115 | 66 Ų | 66 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -42.7 | -176.3 | -166.3 | -176.2 | -177.1 | -163 | 0 | 112.8 | R95 F103 R116 S221 | R95-K118 VanDerWaalsContact CD-O 3.28Å; R95-K118 WeakPolarHBondContact CD-O 3.47Å; R95-K118 PolarHBondContact NE-O 2.86Å; R95-K118 VanDerWaalsContact NE-O 3.09Å; F103-K118 HydrophobicContact CE2-CB 4.32Å; F103-K118 HydrophobicContact CE2-CG 4.42Å; F103-K118 HydrophobicContact CZ-CG 4.25Å; R116-K118 PolarHBondContact O-N 3.37Å; K118-S221 WeakPolarHBondContact CE-OG 3.48Å; K118-S221 PolarHBondContact NZ-OG 3.23Å |
| 119 | N | 88.7 | Confident | 96.1 | Very high | 109 Ų | 109 | 60 Ų | 60 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 33.9 | -174.5 | -62.3 | -9.8 | 0 | 0 | 0 | 112.2 | R117 A121 | R117-N119 PolarHBondContact O-N 2.96Å; N119-A121 PolarHBondContact O-N 3.38Å |
| 120 | Y | 93.8 | Very high | 95.9 | Very high | 84 Ų | 84 | 57 Ų | 57 | 33% | 0.329 | 28% | 0.275 | S | S | . | . | trans | -72.9 | 125.2 | 175.4 | -161.2 | -127.8 | 0 | 0 | 0 | 109.9 | C105 T115 D122 S123 | C105-Y120 HydrophobicContact CB-CD1 4.18Å; C105-Y120 HydrophobicContact CB-CE1 4.37Å; T115-Y120 HydrophobicContact CG2-CD1 3.83Å; T115-Y120 HydrophobicContact CG2-CG 4.21Å; Y120-D122 HydrophobicContact CD1-CB 3.94Å; Y120-D122 HydrophobicContact CE1-CB 3.75Å; Y120-D122 PolarHBondContact O-N 3.08Å; Y120-S123 PolarHBondContact O-N 3.08Å; Y120-S123 PolarHBondContact O-OG 3.37Å | ||
| 121 | A | 93.4 | Very high | 95.7 | Very high | 62 Ų | 62 | 59.6 Ų | 59.6 | 51% | 0.512 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -56 | -41.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N119 S123 L124 S141 | N119-A121 PolarHBondContact O-N 3.38Å; A121-S123 PolarHBondContact O-N 2.81Å; A121-S123 VanDerWaalsContact O-N 3.15Å; A121-L124 PolarHBondContact O-N 3.45Å; A121-S141 PolarHBondContact O-OG 2.94Å |
| 122 | D | 95.8 | Very high | 95.4 | Very high | 22 Ų | 22 | 61.4 Ų | 61.4 | 12% | 0.118 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -74.5 | -0.6 | -177.6 | -59 | -14.2 | 0 | 0 | 0 | 114.6 | C105 I106 Y120 M125 S141 | C105-D122 WeakPolarHBondContact CA-O 3.36Å; C105-D122 HydrophobicContact CB-CB 4.22Å; C105-D122 VanDerWaalsContact CB-O 3.25Å; C105-D122 WeakPolarHBondContact CB-O 3.37Å; I106-D122 PolarHBondContact N-O 3.15Å; I106-D122 VanDerWaalsContact N-O 3.15Å; Y120-D122 HydrophobicContact CD1-CB 3.94Å; Y120-D122 HydrophobicContact CE1-CB 3.75Å; Y120-D122 PolarHBondContact O-N 3.08Å; D122-M125 WeakPolarHBondContact O-CE 3.41Å; D122-S141 VanDerWaalsContact CA-OG 3.26Å; D122-S141 WeakPolarHBondContact CA-OG 3.24Å; D122-S141 WeakPolarHBondContact OD1-CB 3.34Å; D122-S141 PolarHBondContact OD1-OG 2.93Å |
| 123 | S | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -99.8 | -4.9 | 174.9 | 76.4 | 0 | 0 | 0 | 0 | 114.3 | L104 Y120 A121 M125 | L104-S123 WeakPolarHBondContact O-CA 3.27Å; L104-S123 WeakPolarHBondContact O-CB 3.46Å; Y120-S123 PolarHBondContact O-N 3.08Å; Y120-S123 PolarHBondContact O-OG 3.37Å; A121-S123 PolarHBondContact O-N 2.81Å; A121-S123 VanDerWaalsContact O-N 3.15Å; S123-M125 PolarHBondContact O-N 2.8Å |
| 124 | L | 97.6 | Very high | 95.1 | Very high | 34 Ų | 34 | 62.7 Ų | 62.7 | 18% | 0.178 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 118.5 | 174.6 | -174.8 | 62.3 | 0 | 0 | 0 | 110.2 | R95 A121 V140 P220 | R95-L124 HydrophobicContact CG-CD1 4.39Å; A121-L124 PolarHBondContact O-N 3.45Å; L124-V140 HydrophobicContact CB-CB 4.45Å; L124-V140 HydrophobicContact CD2-CB 4.16Å; L124-V140 HydrophobicContact CD2-CG1 4.29Å; L124-V140 HydrophobicContact CD2-CG2 4.18Å; L124-V140 HydrophobicContact CG-CB 4.17Å; L124-V140 HydrophobicContact CG-CG2 3.92Å; L124-V140 PolarHBondContact O-N 2.78Å; L124-P220 HydrophobicContact CD1-CB 3.87Å; L124-P220 HydrophobicContact CD1-CG 4.22Å |
| 125 | M | 98 | Very high | 95.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.8 | -176.4 | -56.2 | -64 | 163.4 | 0 | 0 | 110.8 | L93 R94 L96 L104 I106 D122 S123 I137 K138 | L93-M125 CarbonylContact C-O 3.57Å; L93-M125 WeakPolarHBondContact CA-O 3.24Å; R94-M125 PolarHBondContact N-O 3.23Å; R94-M125 WeakPolarHBondContact O-CA 3.26Å; R94-M125 WeakPolarHBondContact O-CB 3.29Å; R94-M125 PolarHBondContact O-N 2.95Å; R94-M125 VanDerWaalsContact O-O 3.1Å; L96-M125 HydrophobicContact CD1-CG 4.43Å; L104-M125 HydrophobicContact CG-CE 4.46Å; L104-M125 WeakPolarHBondContact O-CE 3.31Å; I106-M125 HydrophobicContact CD1-CE 4.49Å; I106-M125 HydrophobicContact CD1-SD 4.4Å; I106-M125 HydrophobicContact CG1-CE 4.05Å; D122-M125 WeakPolarHBondContact O-CE 3.41Å; S123-M125 PolarHBondContact O-N 2.8Å; M125-I137 HydrophobicContact CB-CG2 3.92Å; M125-I137 HydrophobicContact CG-CG2 4.15Å; M125-I137 HydrophobicContact SD-CG2 4.26Å; M125-K138 CarbonylContact C-O 3.52Å; M125-K138 WeakPolarHBondContact CA-O 3.4Å |
| 126 | E | 97.7 | Very high | 95.2 | Very high | 33 Ų | 33 | 61.4 Ų | 61.4 | 15% | 0.154 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115 | 163 | -172.1 | -168.5 | 76.4 | 0 | 0 | 108.3 | V91 L93 R128 I137 K138 V140 | V91-E126 HydrophobicContact CG1-CG 3.38Å; L93-E126 HydrophobicContact CD2-CB 3.95Å; L93-E126 HydrophobicContact CD2-CG 4.07Å; E126-R128 VanDerWaalsContact CD-NE 3.26Å; E126-R128 HydrophobicContact CG-CG 4.19Å; E126-R128 IonicContact OE1-CZ 2.63Å; E126-R128 IonicContact OE1-NE 2.7Å; E126-R128 PolarHBondContact OE1-NE 2.87Å; E126-R128 IonicContact OE1-NH2 2.82Å; E126-R128 PolarHBondContact OE1-NH2 2.91Å; E126-R128 IonicContact OE2-CZ 3.36Å; E126-R128 IonicContact OE2-NE 3.59Å; E126-R128 IonicContact OE2-NH2 3.23Å; E126-R128 PolarHBondContact OE2-NH2 2.99Å; E126-I137 WeakPolarHBondContact O-CA 3.48Å; E126-K138 HydrophobicContact CB-CB 4.44Å; E126-K138 PolarHBondContact N-O 2.83Å; E126-K138 PolarHBondContact O-N 2.81Å; E126-V140 HydrophobicContact CB-CG2 4.01Å |
| 127 | I | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 114.2 | 176.1 | -52.5 | 174.5 | 0 | 0 | 0 | 107.4 | R92 R94 L96 V135 A136 I137 | R92-I127 HydrophobicContact CB-CB 4.38Å; R92-I127 PolarHBondContact N-O 3.01Å; R92-I127 VanDerWaalsContact NH2-CG2 3.33Å; R92-I127 PolarHBondContact O-N 2.96Å; R94-I127 HydrophobicContact CB-CD1 4.11Å; R94-I127 HydrophobicContact CG-CD1 4.3Å; L96-I127 HydrophobicContact CD2-CD1 3.89Å; I127-V135 HydrophobicContact CG2-CB 3.84Å; I127-V135 HydrophobicContact CG2-CG1 3.89Å; I127-V135 HydrophobicContact CG2-CG2 4.24Å; I127-A136 WeakPolarHBondContact CA-O 3.07Å; I127-I137 HydrophobicContact CG1-CG2 4.4Å; I127-I137 HydrophobicContact CG2-CG1 4.44Å |
| 128 | R | 96.6 | Very high | 95.4 | Very high | 109 Ų | 109 | 48.2 Ų | 48.2 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 137.4 | 176.4 | -62.1 | -159.8 | -177.5 | -155.2 | -7.2 | 111.4 | D90 V91 E126 V135 A136 | D90-R128 WeakPolarHBondContact O-CA 3.31Å; V91-R128 HydrophobicContact CG1-CG 4.2Å; V91-R128 HydrophobicContact CG2-CG 3.99Å; E126-R128 VanDerWaalsContact CD-NE 3.26Å; E126-R128 HydrophobicContact CG-CG 4.19Å; E126-R128 IonicContact OE1-CZ 2.63Å; E126-R128 IonicContact OE1-NE 2.7Å; E126-R128 PolarHBondContact OE1-NE 2.87Å; E126-R128 IonicContact OE1-NH2 2.82Å; E126-R128 PolarHBondContact OE1-NH2 2.91Å; E126-R128 IonicContact OE2-CZ 3.36Å; E126-R128 IonicContact OE2-NE 3.59Å; E126-R128 IonicContact OE2-NH2 3.23Å; E126-R128 PolarHBondContact OE2-NH2 2.99Å; R128-V135 CarbonylContact O-C 3.48Å; R128-V135 WeakPolarHBondContact O-CA 3.44Å; R128-V135 WeakPolarHBondContact O-CB 3.44Å; R128-A136 PolarHBondContact N-O 3.47Å; R128-A136 PolarHBondContact O-N 3.38Å |
| 129 | S | 94.9 | Very high | 95.9 | Very high | 55 Ų | 55 | 42.8 Ų | 42.8 | 39% | 0.385 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 135 | 168.2 | -164.7 | 0 | 0 | 0 | 0 | 109.6 | D90 | D90-S129 PolarHBondContact O-N 2.9Å |
| 130 | V | 94.7 | Very high | 96.3 | Very high | 56 Ų | 56 | 40.9 Ų | 40.9 | 34% | 0.339 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -39.3 | 175.2 | 177.2 | 0 | 0 | 0 | 0 | 110 | V134 A136 Y160 K165 | V130-V134 HydrophobicContact CB-CG1 4.27Å; V130-V134 PolarHBondContact N-O 3.04Å; V130-A136 HydrophobicContact CG2-CB 3.76Å; V130-Y160 WeakPolarHBondContact CG1-OH 3.32Å; V130-Y160 WeakPolarHBondContact CG2-OH 3.3Å; V130-K165 HydrophobicContact CG1-CD 4.31Å |
| 131 | S | 93.4 | Very high | 96.5 | Very high | 64 Ų | 64 | 39.5 Ų | 39.5 | 45% | 0.448 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 174.5 | 172.6 | 67.2 | 0 | 0 | 0 | 0 | 107.8 | G133 V134 | S131-G133 PolarHBondContact O-N 3.5Å; S131-V134 PolarHBondContact N-O 3.01Å; S131-V134 PolarHBondContact O-N 3.32Å; S131-V134 VanDerWaalsContact O-O 3.06Å; S131-V134 WeakPolarHBondContact OG-CB 3.11Å; S131-V134 WeakPolarHBondContact OG-CG2 3.37Å |
| 132 | V | 91.5 | Very high | 96.7 | Very high | 150 Ų | 150 | 38 Ų | 38 | 91% | 0.909 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 117.9 | 179.9 | -177 | 0 | 0 | 0 | 0 | 111.3 | V134 | V132-V134 PolarHBondContact O-N 3.03Š|
| 133 | G | 93.3 | Very high | 96.8 | Very high | 43 Ų | 43 | 38.2 Ų | 38.2 | 44% | 0.443 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 11.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | S131 K167 E168 | S131-G133 PolarHBondContact O-N 3.5Å; G133-K167 CarbonylContact O-C 3.55Å; G133-K167 VanDerWaalsContact O-CA 3.31Å; G133-K167 WeakPolarHBondContact O-CA 3.39Å; G133-E168 PolarHBondContact O-N 3.35Å |
| 134 | V | 97.3 | Very high | 96.8 | Very high | 10 Ų | 10 | 39 Ų | 39 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.1 | 177.5 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | V130 S131 V132 K165 F166 K167 L181 | V130-V134 HydrophobicContact CB-CG1 4.27Å; V130-V134 PolarHBondContact N-O 3.04Å; S131-V134 PolarHBondContact N-O 3.01Å; S131-V134 PolarHBondContact O-N 3.32Å; S131-V134 VanDerWaalsContact O-O 3.06Å; S131-V134 WeakPolarHBondContact OG-CB 3.11Å; S131-V134 WeakPolarHBondContact OG-CG2 3.37Å; V132-V134 PolarHBondContact O-N 3.03Å; V134-K165 HydrophobicContact CG1-CB 3.99Å; V134-F166 CarbonylContact C-O 3.47Å; V134-F166 VanDerWaalsContact CA-O 3.27Å; V134-F166 WeakPolarHBondContact CA-O 3.47Å; V134-K167 HydrophobicContact CG2-CG 4.41Å; V134-L181 HydrophobicContact CG1-CD2 3.94Å; V134-L181 HydrophobicContact CG2-CD1 4.32Å; V134-L181 HydrophobicContact CG2-CD2 4.32Å |
| 135 | V | 98.1 | Very high | 96.9 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 154.9 | -177.9 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | I127 R128 I137 F166 E168 Y178 | I127-V135 HydrophobicContact CG2-CB 3.84Å; I127-V135 HydrophobicContact CG2-CG1 3.89Å; I127-V135 HydrophobicContact CG2-CG2 4.24Å; R128-V135 CarbonylContact O-C 3.48Å; R128-V135 WeakPolarHBondContact O-CA 3.44Å; R128-V135 WeakPolarHBondContact O-CB 3.44Å; V135-I137 HydrophobicContact CG2-CD1 4.21Å; V135-I137 HydrophobicContact CG2-CG1 4.01Å; V135-F166 HydrophobicContact CG2-CB 4.29Å; V135-F166 PolarHBondContact N-O 2.82Å; V135-F166 PolarHBondContact O-N 3.07Å; V135-E168 HydrophobicContact CG1-CB 4.04Å; V135-E168 WeakPolarHBondContact CG1-OE2 3.48Å; V135-E168 HydrophobicContact CG2-CB 4.13Å; V135-Y178 HydrophobicContact CG2-CD1 3.96Å; V135-Y178 HydrophobicContact CG2-CE1 3.95Å |
| 136 | A | 98.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 5% | 0.05 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 138.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | I127 R128 V130 Y160 | I127-A136 WeakPolarHBondContact CA-O 3.07Å; R128-A136 PolarHBondContact N-O 3.47Å; R128-A136 PolarHBondContact O-N 3.38Å; V130-A136 HydrophobicContact CG2-CB 3.76Å; A136-Y160 HydrophobicContact CB-CD2 4.44Å; A136-Y160 HydrophobicContact CB-CE2 3.7Å |
| 137 | I | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 124.9 | -178.2 | -52.3 | 176 | 0 | 0 | 0 | 107.1 | L96 M125 E126 I127 V135 Y145 L146 F166 Y178 | L96-I137 HydrophobicContact CD1-CD1 4.05Å; L96-I137 HydrophobicContact CD1-CG2 4.09Å; M125-I137 HydrophobicContact CB-CG2 3.92Å; M125-I137 HydrophobicContact CG-CG2 4.15Å; M125-I137 HydrophobicContact SD-CG2 4.26Å; E126-I137 WeakPolarHBondContact O-CA 3.48Å; I127-I137 HydrophobicContact CG1-CG2 4.4Å; I127-I137 HydrophobicContact CG2-CG1 4.44Å; V135-I137 HydrophobicContact CG2-CD1 4.21Å; V135-I137 HydrophobicContact CG2-CG1 4.01Å; I137-Y145 CarbonylContact O-C 3.57Å; I137-Y145 WeakPolarHBondContact O-CA 3.49Å; I137-L146 HydrophobicContact CB-CB 4.12Å; I137-L146 HydrophobicContact CB-CD2 4.43Å; I137-L146 HydrophobicContact CD1-CD2 4.19Å; I137-L146 PolarHBondContact O-N 3.45Å; I137-F166 HydrophobicContact CD1-CD2 4.44Å; I137-Y178 HydrophobicContact CD1-CD1 3.86Å; I137-Y178 HydrophobicContact CD1-CE1 3.98Å; I137-Y178 HydrophobicContact CD1-CG 4.21Å |
| 138 | K | 98.5 | Very high | 97 | Very high | 58 Ų | 58 | 38 Ų | 38 | 25% | 0.252 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 133.3 | -176.5 | -171.9 | -173.4 | -179.5 | -173.1 | 0 | 109.7 | M125 E126 V140 G143 L144 Y145 | M125-K138 CarbonylContact C-O 3.52Å; M125-K138 WeakPolarHBondContact CA-O 3.4Å; E126-K138 HydrophobicContact CB-CB 4.44Å; E126-K138 PolarHBondContact N-O 2.83Å; E126-K138 PolarHBondContact O-N 2.81Å; K138-V140 PolarHBondContact O-N 2.87Å; K138-G143 WeakPolarHBondContact CE-O 3.48Å; K138-L144 CarbonylContact C-O 3.54Å; K138-L144 WeakPolarHBondContact CA-O 3.33Å; K138-Y145 HydrophobicContact CB-CD1 3.87Å; K138-Y145 HydrophobicContact CB-CE1 3.97Å; K138-Y145 HydrophobicContact CD-CD1 4.41Å; K138-Y145 HydrophobicContact CD-CE1 3.87Å; K138-Y145 HydrophobicContact CD-CE2 4.37Å; K138-Y145 HydrophobicContact CG-CD1 4.09Å; K138-Y145 HydrophobicContact CG-CE1 4.06Å; K138-Y145 HydrophobicContact CG-CG 4.41Å |
| 139 | S | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 128.5 | 169.5 | 176.3 | 0 | 0 | 0 | 0 | 109.2 | S141 T142 G143 L144 | S139-S141 PolarHBondContact OG-OG 2.98Å; S139-T142 VanDerWaalsContact CB-OG1 3.26Å; S139-T142 WeakPolarHBondContact CB-OG1 3.36Å; S139-T142 PolarHBondContact OG-OG1 2.83Å; S139-G143 VanDerWaalsContact O-CA 3.25Å; S139-G143 WeakPolarHBondContact O-CA 3.48Å; S139-G143 PolarHBondContact O-N 3.16Å; S139-L144 PolarHBondContact N-O 3.49Å |
| 140 | V | 97.6 | Very high | 97.3 | Very high | 70 Ų | 70 | 39.3 Ų | 39.3 | 42% | 0.424 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -43.7 | -179.1 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | L93 L124 E126 K138 | L93-V140 HydrophobicContact CD2-CG2 3.87Å; L124-V140 HydrophobicContact CB-CB 4.45Å; L124-V140 HydrophobicContact CD2-CB 4.16Å; L124-V140 HydrophobicContact CD2-CG1 4.29Å; L124-V140 HydrophobicContact CD2-CG2 4.18Å; L124-V140 HydrophobicContact CG-CB 4.17Å; L124-V140 HydrophobicContact CG-CG2 3.92Å; L124-V140 PolarHBondContact O-N 2.78Å; E126-V140 HydrophobicContact CB-CG2 4.01Å; K138-V140 PolarHBondContact O-N 2.87Å |
| 141 | S | 96.8 | Very high | 97.4 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 39% | 0.385 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -38.7 | -175.2 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | A121 D122 S139 | A121-S141 PolarHBondContact O-OG 2.94Å; D122-S141 VanDerWaalsContact CA-OG 3.26Å; D122-S141 WeakPolarHBondContact CA-OG 3.24Å; D122-S141 WeakPolarHBondContact OD1-CB 3.34Å; D122-S141 PolarHBondContact OD1-OG 2.93Å; S139-S141 PolarHBondContact OG-OG 2.98Å |
| 142 | T | 97.6 | Very high | 97.6 | Very high | 30 Ų | 30 | 41.5 Ų | 41.5 | 18% | 0.184 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -14.7 | -175.3 | 64.8 | 0 | 0 | 0 | 0 | 113.2 | I106 K108 S139 L144 | I106-T142 VanDerWaalsContact O-CG2 3.26Å; I106-T142 WeakPolarHBondContact O-CG2 3.07Å; I106-T142 PolarHBondContact O-OG1 2.99Å; K108-T142 HydrophobicContact CG-CG2 3.92Å; S139-T142 VanDerWaalsContact CB-OG1 3.26Å; S139-T142 WeakPolarHBondContact CB-OG1 3.36Å; S139-T142 PolarHBondContact OG-OG1 2.83Å; T142-L144 PolarHBondContact O-N 3.04Å |
| 143 | G | 98.1 | Very high | 98 | Very high | 27 Ų | 27 | 37.5 Ų | 37.5 | 28% | 0.278 | 21% | 0.21 | S | C | . | . | trans | 70.2 | 5.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K138 S139 | K138-G143 WeakPolarHBondContact CE-O 3.48Å; S139-G143 VanDerWaalsContact O-CA 3.25Å; S139-G143 WeakPolarHBondContact O-CA 3.48Å; S139-G143 PolarHBondContact O-N 3.16Å | ||
| 144 | L | 98.7 | Very high | 98.2 | Very high | 15 Ų | 15 | 36 Ų | 36 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -85.3 | 136.3 | -176.7 | -59.9 | -179.3 | 0 | 0 | 0 | 111.5 | I106 D107 K138 S139 T142 V158 | I106-L144 HydrophobicContact CG2-CB 4.08Å; I106-L144 HydrophobicContact CG2-CD1 4.06Å; D107-L144 WeakPolarHBondContact O-CD1 3.38Å; K138-L144 CarbonylContact C-O 3.54Å; K138-L144 WeakPolarHBondContact CA-O 3.33Å; S139-L144 PolarHBondContact N-O 3.49Å; T142-L144 PolarHBondContact O-N 3.04Å; L144-V158 HydrophobicContact CD2-CB 4.27Å; L144-V158 HydrophobicContact CD2-CG2 3.57Å |
| 145 | Y | 98.8 | Very high | 98.3 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 18% | 0.184 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 133.1 | 171 | -66.4 | -83.5 | 0 | 0 | 0 | 110.5 | I137 K138 A147 G156 S157 Y160 | I137-Y145 CarbonylContact O-C 3.57Å; I137-Y145 WeakPolarHBondContact O-CA 3.49Å; K138-Y145 HydrophobicContact CB-CD1 3.87Å; K138-Y145 HydrophobicContact CB-CE1 3.97Å; K138-Y145 HydrophobicContact CD-CD1 4.41Å; K138-Y145 HydrophobicContact CD-CE1 3.87Å; K138-Y145 HydrophobicContact CD-CE2 4.37Å; K138-Y145 HydrophobicContact CG-CD1 4.09Å; K138-Y145 HydrophobicContact CG-CE1 4.06Å; K138-Y145 HydrophobicContact CG-CG 4.41Å; Y145-A147 PolarHBondContact O-N 3.35Å; Y145-G156 CarbonylContact O-C 3.51Å; Y145-G156 WeakPolarHBondContact O-CA 3.21Å; Y145-S157 PolarHBondContact N-O 2.78Å; Y145-S157 PolarHBondContact O-N 2.77Å; Y145-Y160 HydrophobicContact CD1-CD2 4.04Å; Y145-Y160 HydrophobicContact CE1-CD2 4.04Å; Y145-Y160 HydrophobicContact CG-CD2 4.4Å |
| 146 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 129.3 | 164.5 | -175.7 | 64.4 | 0 | 0 | 0 | 108.6 | L104 I106 V112 I137 L154 C164 F166 V192 | L104-L146 HydrophobicContact CD2-CD1 4.46Å; L104-L146 HydrophobicContact CD2-CD2 3.89Å; I106-L146 HydrophobicContact CD1-CB 3.97Å; I106-L146 HydrophobicContact CD1-CD1 4.2Å; V112-L146 HydrophobicContact CG1-CD1 4.09Å; V112-L146 HydrophobicContact CG2-CD1 3.76Å; I137-L146 HydrophobicContact CB-CB 4.12Å; I137-L146 HydrophobicContact CB-CD2 4.43Å; I137-L146 HydrophobicContact CD1-CD2 4.19Å; I137-L146 PolarHBondContact O-N 3.45Å; L146-L154 HydrophobicContact CD1-CD2 4.49Å; L146-C164 WeakPolarHBondContact O-CA 3.04Å; L146-F166 HydrophobicContact CB-CE2 4.15Å; L146-F166 HydrophobicContact CD2-CE2 4.06Å; L146-F166 HydrophobicContact CD2-CZ 4.15Å; L146-F166 HydrophobicContact CG-CE2 3.96Å; L146-F166 HydrophobicContact CG-CZ 3.92Å; L146-F166 VanDerWaalsContact O-CE2 3.26Å; L146-F166 WeakPolarHBondContact O-CE2 3.46Å; L146-V192 HydrophobicContact CD2-CG1 4.19Å; L146-V192 HydrophobicContact CD2-CG2 4.05Å |
| 147 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 155.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y145 L154 F155 S163 | Y145-A147 PolarHBondContact O-N 3.35Å; A147-L154 WeakPolarHBondContact O-CA 3.47Å; A147-F155 HydrophobicContact CB-CD1 4.31Å; A147-F155 HydrophobicContact CB-CD2 4.22Å; A147-F155 HydrophobicContact CB-CE1 3.88Å; A147-F155 HydrophobicContact CB-CE2 3.79Å; A147-F155 HydrophobicContact CB-CG 4.47Å; A147-F155 HydrophobicContact CB-CZ 3.6Å; A147-F155 PolarHBondContact N-O 2.89Å; A147-F155 PolarHBondContact O-N 3.12Å; A147-S163 WeakPolarHBondContact CA-O 3.32Å |
| 148 | M | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 132.7 | 173 | -171.3 | 180 | -69 | 0 | 0 | 110.6 | T153 L154 S163 F166 W183 M190 F191 V192 | M148-T153 WeakPolarHBondContact CA-O 3.22Å; M148-L154 HydrophobicContact CB-CD2 4.11Å; M148-L154 HydrophobicContact CE-CD2 3.54Å; M148-L154 HydrophobicContact CG-CD2 4.25Å; M148-S163 PolarHBondContact N-O 2.76Å; M148-S163 WeakPolarHBondContact O-CB 3.39Å; M148-S163 PolarHBondContact O-OG 3.47Å; M148-F166 HydrophobicContact CB-CE1 4.1Å; M148-F166 HydrophobicContact CB-CZ 4.45Å; M148-F166 HydrophobicContact CE-CE1 4.48Å; M148-W183 PolarHBondContact O-NE1 2.78Å; M148-M190 HydrophobicContact SD-CB 3.63Å; M148-M190 HydrophobicContact SD-CE 4.15Å; M148-F191 VanDerWaalsContact CE-C 3.45Å; M148-F191 WeakPolarHBondContact CE-O 3.48Å; M148-V192 HydrophobicContact CE-CG2 4.37Å |
| 149 | S | 98.5 | Very high | 98.3 | Very high | 32 Ų | 32 | 51.1 Ų | 51.1 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | trans | -80 | 165.7 | 176.7 | 76 | 0 | 0 | 0 | 0 | 111.6 | K151 G152 T153 | S149-K151 PolarHBondContact O-N 3.44Å; S149-K151 VanDerWaalsContact O-N 3.15Å; S149-K151 PolarHBondContact OG-N 3.01Å; S149-G152 WeakPolarHBondContact O-CA 3.35Å; S149-G152 PolarHBondContact O-N 2.82Å; S149-T153 PolarHBondContact N-O 3.36Å; S149-T153 WeakPolarHBondContact OG-CB 3.48Å; S149-T153 PolarHBondContact OG-N 3.16Å; S149-T153 VanDerWaalsContact OG-N 3.12Å | ||
| 150 | K | 98.1 | Very high | 98.3 | Very high | 160 Ų | 160 | 55.9 Ų | 55.9 | 70% | 0.696 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -31.1 | 173.5 | -174.2 | 177.6 | 179.8 | -177.9 | 0 | 112.9 | G152 W183 | K150-G152 PolarHBondContact O-N 2.83Å; K150-W183 HydrophobicContact CB-CD2 4.07Å; K150-W183 HydrophobicContact CB-CE3 3.88Å; K150-W183 HydrophobicContact CB-CH2 4.05Å; K150-W183 HydrophobicContact CB-CZ2 4.24Å; K150-W183 HydrophobicContact CB-CZ3 3.88Å; K150-W183 HydrophobicContact CD-CE3 4.46Å; K150-W183 HydrophobicContact CD-CH2 4.46Å; K150-W183 HydrophobicContact CD-CZ3 3.96Å; K150-W183 HydrophobicContact CG-CD2 4.46Å; K150-W183 HydrophobicContact CG-CE3 3.81Å; K150-W183 HydrophobicContact CG-CH2 4.4Å; K150-W183 HydrophobicContact CG-CZ3 3.79Å |
| 151 | K | 97.9 | Very high | 98.3 | Very high | 165 Ų | 165 | 54 Ų | 54 | 72% | 0.717 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -7.7 | 176.4 | -63.6 | -175.1 | 179 | 179.2 | 0 | 113 | S149 H204 | S149-K151 PolarHBondContact O-N 3.44Å; S149-K151 VanDerWaalsContact O-N 3.15Å; S149-K151 PolarHBondContact OG-N 3.01Å; K151-H204 PolarHBondContact O-ND1 2.93Å; K151-H204 VanDerWaalsContact O-ND1 3.12Å |
| 152 | G | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | 84.4 | 17.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S149 K150 R202 G203 | S149-G152 WeakPolarHBondContact O-CA 3.35Å; S149-G152 PolarHBondContact O-N 2.82Å; K150-G152 PolarHBondContact O-N 2.83Å; G152-R202 CarbonylContact O-C 3.52Å; G152-R202 WeakPolarHBondContact O-CA 3.44Å; G152-G203 PolarHBondContact O-N 3.49Å | ||
| 153 | T | 98.5 | Very high | 98.4 | Very high | 67 Ų | 67 | 53.9 Ų | 53.9 | 41% | 0.411 | 28% | 0.279 | S | S | . | . | trans | -81.8 | 132.6 | 175.5 | -53.1 | 0 | 0 | 0 | 0 | 109.4 | M148 S149 | M148-T153 WeakPolarHBondContact CA-O 3.22Å; S149-T153 PolarHBondContact N-O 3.36Å; S149-T153 WeakPolarHBondContact OG-CB 3.48Å; S149-T153 PolarHBondContact OG-N 3.16Å; S149-T153 VanDerWaalsContact OG-N 3.12Å | ||
| 154 | L | 98.8 | Very high | 98.4 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.058 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 137.6 | 172.9 | -64 | 177.4 | 0 | 0 | 0 | 110.3 | V112 L146 A147 M148 V192 P200 | V112-L154 HydrophobicContact CB-CB 4.05Å; V112-L154 HydrophobicContact CG1-CB 4.17Å; V112-L154 HydrophobicContact CG1-CD1 4.3Å; V112-L154 HydrophobicContact CG2-CB 4.1Å; L146-L154 HydrophobicContact CD1-CD2 4.49Å; A147-L154 WeakPolarHBondContact O-CA 3.47Å; M148-L154 HydrophobicContact CB-CD2 4.11Å; M148-L154 HydrophobicContact CE-CD2 3.54Å; M148-L154 HydrophobicContact CG-CD2 4.25Å; L154-V192 HydrophobicContact CD1-CG1 3.88Å; L154-V192 HydrophobicContact CD2-CG2 4.11Å; L154-P200 HydrophobicContact CB-CB 4.37Å; L154-P200 HydrophobicContact CD1-CB 4.04Å |
| 155 | F | 98.8 | Very high | 98.4 | Very high | 71 Ų | 71 | 55 Ų | 55 | 31% | 0.311 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 160.1 | 176.7 | 66.1 | -81 | 0 | 0 | 0 | 110.1 | G110 A147 | G110-F155 CarbonylContact O-C 3.59Å; G110-F155 WeakPolarHBondContact O-CA 3.26Å; A147-F155 HydrophobicContact CB-CD1 4.31Å; A147-F155 HydrophobicContact CB-CD2 4.22Å; A147-F155 HydrophobicContact CB-CE1 3.88Å; A147-F155 HydrophobicContact CB-CE2 3.79Å; A147-F155 HydrophobicContact CB-CG 4.47Å; A147-F155 HydrophobicContact CB-CZ 3.6Å; A147-F155 PolarHBondContact N-O 2.89Å; A147-F155 PolarHBondContact O-N 3.12Å |
| 156 | G | 98.7 | Very high | 98.4 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 13% | 0.134 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 128.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | G110 Y145 | G110-G156 PolarHBondContact O-N 3.29Å; Y145-G156 CarbonylContact O-C 3.51Å; Y145-G156 WeakPolarHBondContact O-CA 3.21Å |
| 157 | S | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 56 Ų | 56 | 17% | 0.168 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 132.1 | 178.4 | -164 | 0 | 0 | 0 | 0 | 110.8 | Y145 K159 | Y145-S157 PolarHBondContact N-O 2.78Å; Y145-S157 PolarHBondContact O-N 2.77Å; S157-K159 PolarHBondContact OG-O 3.05Å |
| 158 | V | 98 | Very high | 98.4 | Very high | 115 Ų | 115 | 57.1 Ų | 57.1 | 70% | 0.697 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -67.3 | -41.7 | 175.7 | -179.3 | 0 | 0 | 0 | 0 | 110.8 | L144 | L144-V158 HydrophobicContact CD2-CB 4.27Å; L144-V158 HydrophobicContact CD2-CG2 3.57Å |
| 159 | K | 97.8 | Very high | 98.3 | Very high | 172 Ų | 172 | 63.1 Ų | 63.1 | 75% | 0.748 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -97.3 | 133 | -177.4 | -65.7 | -174.9 | 179.4 | -178.7 | 0 | 110.5 | S157 S161 | S157-K159 PolarHBondContact OG-O 3.05Å; K159-S161 PolarHBondContact O-N 2.88Å |
| 160 | Y | 98.3 | Very high | 98.2 | Very high | 99 Ų | 99 | 64.2 Ų | 64.2 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | trans | -61.7 | 133.6 | 170.9 | -178 | -109.8 | 0 | 0 | 0 | 110.4 | V130 A136 Y145 C164 K165 | V130-Y160 WeakPolarHBondContact CG1-OH 3.32Å; V130-Y160 WeakPolarHBondContact CG2-OH 3.3Å; A136-Y160 HydrophobicContact CB-CD2 4.44Å; A136-Y160 HydrophobicContact CB-CE2 3.7Å; Y145-Y160 HydrophobicContact CD1-CD2 4.04Å; Y145-Y160 HydrophobicContact CE1-CD2 4.04Å; Y145-Y160 HydrophobicContact CG-CD2 4.4Å; Y160-C164 HydrophobicContact CD2-CB 3.9Å; Y160-C164 HydrophobicContact CE2-CB 3.91Å; Y160-K165 WeakPolarHBondContact OH-CE 3.33Å; Y160-K165 WeakPolarHBondContact OH-CG 3.46Å | ||
| 161 | S | 98.1 | Very high | 98.1 | Very high | 32 Ų | 32 | 57.7 Ų | 57.7 | 22% | 0.224 | 28% | 0.283 | C | S | . | . | trans | -150.7 | 167 | -176.4 | 67.9 | 0 | 0 | 0 | 0 | 111.2 | K159 S163 C164 | K159-S161 PolarHBondContact O-N 2.88Å; S161-S163 PolarHBondContact O-N 2.91Å; S161-C164 PolarHBondContact N-SG 2.92Å; S161-C164 VanDerWaalsContact O-CB 3.27Å; S161-C164 WeakPolarHBondContact O-CB 3.3Å; S161-C164 PolarHBondContact O-N 3.41Å; S161-C164 PolarHBondContact O-SG 2.87Å; S161-C164 PolarHBondContact OG-SG 2.67Å; S161-C164 VanDerWaalsContact OG-SG 3.35Å | ||
| 162 | P | 98.2 | Very high | 97.9 | Very high | 67 Ų | 67 | 59 Ų | 59 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -56.6 | -21.9 | 175.1 | -29.5 | 37.9 | 0 | 0 | 0 | 114.8 | C164 K165 | P162-C164 PolarHBondContact O-N 3.16Å; P162-K165 PolarHBondContact O-N 2.99Å |
| 163 | S | 98.4 | Very high | 97.7 | Very high | 14 Ų | 14 | 63 Ų | 63 | 10% | 0.098 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -71.2 | -13.4 | 174.4 | -63.9 | 0 | 0 | 0 | 0 | 113.5 | A147 M148 S161 W183 | A147-S163 WeakPolarHBondContact CA-O 3.32Å; M148-S163 PolarHBondContact N-O 2.76Å; M148-S163 WeakPolarHBondContact O-CB 3.39Å; M148-S163 PolarHBondContact O-OG 3.47Å; S161-S163 PolarHBondContact O-N 2.91Å; S163-W183 PolarHBondContact OG-NE1 2.85Å; S163-W183 VanDerWaalsContact OG-NE1 3.15Å |
| 164 | C | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -94.3 | -1.6 | -179.8 | -47.9 | 0 | 0 | 0 | 0 | 113.1 | L146 Y160 S161 P162 F166 | L146-C164 WeakPolarHBondContact O-CA 3.04Å; Y160-C164 HydrophobicContact CD2-CB 3.9Å; Y160-C164 HydrophobicContact CE2-CB 3.91Å; S161-C164 PolarHBondContact N-SG 2.92Å; S161-C164 VanDerWaalsContact O-CB 3.27Å; S161-C164 WeakPolarHBondContact O-CB 3.3Å; S161-C164 PolarHBondContact O-N 3.41Å; S161-C164 PolarHBondContact O-SG 2.87Å; S161-C164 PolarHBondContact OG-SG 2.67Å; S161-C164 VanDerWaalsContact OG-SG 3.35Å; P162-C164 PolarHBondContact O-N 3.16Å; C164-F166 WeakPolarHBondContact O-CD2 3.47Å; C164-F166 WeakPolarHBondContact O-CE2 3.32Å |
| 165 | K | 98.6 | Very high | 97.5 | Very high | 65 Ų | 65 | 63.5 Ų | 63.5 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 122.5 | -179.9 | -65.4 | -174.2 | -179.9 | -170.3 | 0 | 110.1 | V130 V134 Y160 P162 L181 | V130-K165 HydrophobicContact CG1-CD 4.31Å; V134-K165 HydrophobicContact CG1-CB 3.99Å; Y160-K165 WeakPolarHBondContact OH-CE 3.33Å; Y160-K165 WeakPolarHBondContact OH-CG 3.46Å; P162-K165 PolarHBondContact O-N 2.99Å; K165-L181 HydrophobicContact CB-CB 3.85Å; K165-L181 HydrophobicContact CB-CD2 3.75Å; K165-L181 HydrophobicContact CB-CG 4.43Å; K165-L181 HydrophobicContact CD-CD2 3.81Å; K165-L181 HydrophobicContact CG-CD2 4.4Å; K165-L181 VanDerWaalsContact O-CB 3.29Å; K165-L181 WeakPolarHBondContact O-CB 3.4Å; K165-L181 PolarHBondContact O-N 2.93Å |
| 166 | F | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 136 | 177.5 | -57.7 | -83 | 0 | 0 | 0 | 111.4 | V134 V135 I137 L146 M148 C164 E168 Y178 A179 V192 | V134-F166 CarbonylContact C-O 3.47Å; V134-F166 VanDerWaalsContact CA-O 3.27Å; V134-F166 WeakPolarHBondContact CA-O 3.47Å; V135-F166 HydrophobicContact CG2-CB 4.29Å; V135-F166 PolarHBondContact N-O 2.82Å; V135-F166 PolarHBondContact O-N 3.07Å; I137-F166 HydrophobicContact CD1-CD2 4.44Å; L146-F166 HydrophobicContact CB-CE2 4.15Å; L146-F166 HydrophobicContact CD2-CE2 4.06Å; L146-F166 HydrophobicContact CD2-CZ 4.15Å; L146-F166 HydrophobicContact CG-CE2 3.96Å; L146-F166 HydrophobicContact CG-CZ 3.92Å; L146-F166 VanDerWaalsContact O-CE2 3.26Å; L146-F166 WeakPolarHBondContact O-CE2 3.46Å; M148-F166 HydrophobicContact CB-CE1 4.1Å; M148-F166 HydrophobicContact CB-CZ 4.45Å; M148-F166 HydrophobicContact CE-CE1 4.48Å; C164-F166 WeakPolarHBondContact O-CD2 3.47Å; C164-F166 WeakPolarHBondContact O-CE2 3.32Å; F166-E168 PolarHBondContact O-N 3.42Å; F166-Y178 HydrophobicContact CB-CD1 4.44Å; F166-A179 CarbonylContact C-O 3.4Å; F166-A179 WeakPolarHBondContact CA-O 3.41Å; F166-V192 HydrophobicContact CD1-CG2 3.74Å; F166-V192 HydrophobicContact CE1-CG2 3.57Å; F166-V192 HydrophobicContact CG-CG2 4.48Å; F166-V192 HydrophobicContact CZ-CG2 4.19Å |
| 167 | K | 98.4 | Very high | 97.5 | Very high | 69 Ų | 69 | 59.7 Ų | 59.7 | 30% | 0.3 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 115.3 | 167 | -61.3 | -172.6 | -179 | -166.9 | 0 | 108.4 | G133 V134 Y178 A179 L181 | G133-K167 CarbonylContact O-C 3.55Å; G133-K167 VanDerWaalsContact O-CA 3.31Å; G133-K167 WeakPolarHBondContact O-CA 3.39Å; V134-K167 HydrophobicContact CG2-CG 4.41Å; K167-Y178 WeakPolarHBondContact O-CA 3.28Å; K167-A179 HydrophobicContact CB-CB 4.39Å; K167-A179 PolarHBondContact N-O 3.47Å; K167-A179 PolarHBondContact O-N 2.75Å; K167-L181 HydrophobicContact CD-CD1 4.17Å; K167-L181 HydrophobicContact CG-CD1 3.87Å |
| 168 | E | 97.8 | Very high | 97.5 | Very high | 24 Ų | 24 | 58.6 Ų | 58.6 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.3 | 173 | 179.5 | 169.4 | -126.1 | 0 | 0 | 109 | R92 G133 V135 F166 N176 T177 Y178 | R92-E168 IonicContact CZ-OE2 3.52Å; R92-E168 IonicContact NH1-OE1 3.77Å; R92-E168 IonicContact NH1-OE2 3.29Å; R92-E168 PolarHBondContact NH1-OE2 2.7Å; R92-E168 IonicContact NH2-OE1 3.97Å; R92-E168 IonicContact NH2-OE2 2.78Å; R92-E168 PolarHBondContact NH2-OE2 2.76Å; G133-E168 PolarHBondContact O-N 3.35Å; V135-E168 HydrophobicContact CG1-CB 4.04Å; V135-E168 WeakPolarHBondContact CG1-OE2 3.48Å; V135-E168 HydrophobicContact CG2-CB 4.13Å; F166-E168 PolarHBondContact O-N 3.42Å; E168-N176 PolarHBondContact OE1-ND2 2.92Å; E168-T177 WeakPolarHBondContact CA-O 3.42Å; E168-Y178 HydrophobicContact CB-CD1 4.07Å; E168-Y178 HydrophobicContact CB-CE1 3.83Å; E168-Y178 HydrophobicContact CG-CD1 4.28Å; E168-Y178 HydrophobicContact CG-CE1 3.62Å; E168-Y178 VanDerWaalsContact OE1-CE1 3.22Å; E168-Y178 WeakPolarHBondContact OE1-CE1 3.35Å; E168-Y178 VanDerWaalsContact OE1-CZ 3.32Å; E168-Y178 PolarHBondContact OE1-OH 2.85Å |
| 169 | R | 96.8 | Very high | 97.5 | Very high | 126 Ų | 126 | 53.1 Ų | 53.1 | 48% | 0.475 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 138.1 | 173.1 | -71.4 | -171.4 | 171.9 | -174 | -6.1 | 110.3 | N176 T177 | R169-N176 CarbonylContact O-C 3.55Å; R169-N176 WeakPolarHBondContact O-CA 3.23Å; R169-T177 PolarHBondContact N-O 2.78Å; R169-T177 VanDerWaalsContact N-O 3.08Å; R169-T177 PolarHBondContact O-N 3.2Å |
| 170 | I | 96.5 | Very high | 97.6 | Very high | 54 Ų | 54 | 45 Ų | 45 | 28% | 0.277 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 123.8 | 169 | -59.1 | 171.2 | 0 | 0 | 0 | 107.2 | Y84 L87 N176 | Y84-I170 HydrophobicContact CD1-CD1 3.99Å; Y84-I170 HydrophobicContact CD2-CD1 3.75Å; Y84-I170 HydrophobicContact CE1-CD1 3.82Å; Y84-I170 HydrophobicContact CE2-CD1 3.58Å; Y84-I170 HydrophobicContact CG-CD1 3.95Å; L87-I170 HydrophobicContact CD1-CD1 4.04Å; I170-N176 WeakPolarHBondContact CG1-OD1 3.33Å |
| 171 | E | 96.1 | Very high | 97.6 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 11% | 0.107 | 22% | 0.221 | C | C | . | . | trans | -86.2 | 166.3 | 173.4 | -56.1 | -66.2 | 147.9 | 0 | 0 | 110.4 | N173 G174 Y175 T177 R208 | E171-N173 PolarHBondContact O-N 3.28Å; E171-N173 VanDerWaalsContact O-N 3.08Å; E171-G174 PolarHBondContact O-N 3.02Å; E171-Y175 PolarHBondContact N-O 2.84Å; E171-T177 HydrophobicContact CG-CG2 3.54Å; E171-T177 VanDerWaalsContact OE1-CG2 3.27Å; E171-T177 WeakPolarHBondContact OE1-CG2 3.43Å; E171-T177 PolarHBondContact OE1-OG1 3.03Å; E171-R208 WeakPolarHBondContact OE1-CD 3.42Å; E171-R208 VanDerWaalsContact OE1-CG 3.24Å; E171-R208 WeakPolarHBondContact OE1-CG 3.14Å; E171-R208 IonicContact OE1-NE 3.59Å; E171-R208 IonicContact OE2-CZ 3.8Å; E171-R208 IonicContact OE2-NE 2.96Å; E171-R208 PolarHBondContact OE2-NE 3.02Å; E171-R208 IonicContact OE2-NH2 3.85Å | ||
| 172 | E | 94 | Very high | 97.5 | Very high | 192 Ų | 192 | 48 Ų | 48 | 90% | 0.897 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -26 | -176.1 | -67.9 | 160.5 | -161 | 0 | 0 | 113.6 | G174 | E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 3.33Å |
| 173 | N | 94.1 | Very high | 97.5 | Very high | 84 Ų | 84 | 47 Ų | 47 | 45% | 0.449 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | 7.5 | 177.8 | 67.7 | -4.5 | 0 | 0 | 0 | 114.1 | E171 Y175 H214 | E171-N173 PolarHBondContact O-N 3.28Å; E171-N173 VanDerWaalsContact O-N 3.08Å; N173-Y175 VanDerWaalsContact C-N 3.28Å; N173-Y175 HydrophobicContact CB-CD2 4.48Å; N173-Y175 PolarHBondContact O-N 3.3Å; N173-Y175 WeakPolarHBondContact OD1-CB 3.01Å; N173-Y175 PolarHBondContact OD1-N 2.86Å; N173-Y175 VanDerWaalsContact OD1-N 3.15Å; N173-H214 PolarHBondContact ND2-CE1 3.5Å; N173-H214 VanDerWaalsContact ND2-CE1 3.32Å; N173-H214 PolarHBondContact ND2-ND1 2.84Å |
| 174 | G | 95.1 | Very high | 97.5 | Very high | 41 Ų | 41 | 52.2 Ų | 52.2 | 42% | 0.423 | 24% | 0.242 | S | C | . | . | S | Bend | trans | 80.2 | -0.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | E171 E172 | E171-G174 PolarHBondContact O-N 3.02Å; E172-G174 VanDerWaalsContact C-N 3.28Å; E172-G174 PolarHBondContact O-N 3.33Å |
| 175 | Y | 97.9 | Very high | 97.5 | Very high | 49 Ų | 49 | 57 Ų | 57 | 19% | 0.192 | 27% | 0.265 | C | S | . | . | trans | -86.3 | 154.9 | 172.1 | -75 | -100.5 | 0 | 0 | 0 | 111.5 | A99 E171 N173 H214 L216 | A99-Y175 HydrophobicContact CB-CD1 4.39Å; A99-Y175 HydrophobicContact CB-CE1 3.96Å; E171-Y175 PolarHBondContact N-O 2.84Å; N173-Y175 VanDerWaalsContact C-N 3.28Å; N173-Y175 HydrophobicContact CB-CD2 4.48Å; N173-Y175 PolarHBondContact O-N 3.3Å; N173-Y175 WeakPolarHBondContact OD1-CB 3.01Å; N173-Y175 PolarHBondContact OD1-N 2.86Å; N173-Y175 VanDerWaalsContact OD1-N 3.15Å; Y175-H214 HydrophobicContact CD1-CB 3.85Å; Y175-H214 HydrophobicContact CG-CB 3.84Å; Y175-L216 HydrophobicContact CD1-CB 3.95Å; Y175-L216 HydrophobicContact CE1-CB 3.8Å | ||
| 176 | N | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 146 | 173.1 | -64.6 | 11.1 | 0 | 0 | 0 | 110.9 | E168 R169 I170 Y178 F215 | E168-N176 PolarHBondContact OE1-ND2 2.92Å; R169-N176 CarbonylContact O-C 3.55Å; R169-N176 WeakPolarHBondContact O-CA 3.23Å; I170-N176 WeakPolarHBondContact CG1-OD1 3.33Å; N176-Y178 HydrophobicContact CB-CE2 4.03Å; N176-F215 WeakPolarHBondContact CA-O 3.39Å; N176-F215 PolarHBondContact N-O 2.7Å; N176-F215 PolarHBondContact O-N 3.23Å |
| 177 | T | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 147.5 | 163.7 | 61.7 | 0 | 0 | 0 | 0 | 110.7 | E168 R169 E171 R208 | E168-T177 WeakPolarHBondContact CA-O 3.42Å; R169-T177 PolarHBondContact N-O 2.78Å; R169-T177 VanDerWaalsContact N-O 3.08Å; R169-T177 PolarHBondContact O-N 3.2Å; E171-T177 HydrophobicContact CG-CG2 3.54Å; E171-T177 VanDerWaalsContact OE1-CG2 3.27Å; E171-T177 WeakPolarHBondContact OE1-CG2 3.43Å; E171-T177 PolarHBondContact OE1-OG1 3.03Å; T177-R208 HydrophobicContact CG2-CG 4.22Å |
| 178 | Y | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 0% | 0.004 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 102.8 | 178.4 | -60.7 | -78.1 | 0 | 0 | 0 | 109.6 | L96 V135 I137 F166 K167 E168 N176 F191 V192 F215 | L96-Y178 HydrophobicContact CD1-CE2 4.38Å; L96-Y178 HydrophobicContact CD2-CE2 3.96Å; V135-Y178 HydrophobicContact CG2-CD1 3.96Å; V135-Y178 HydrophobicContact CG2-CE1 3.95Å; I137-Y178 HydrophobicContact CD1-CD1 3.86Å; I137-Y178 HydrophobicContact CD1-CE1 3.98Å; I137-Y178 HydrophobicContact CD1-CG 4.21Å; F166-Y178 HydrophobicContact CB-CD1 4.44Å; K167-Y178 WeakPolarHBondContact O-CA 3.28Å; E168-Y178 HydrophobicContact CB-CD1 4.07Å; E168-Y178 HydrophobicContact CB-CE1 3.83Å; E168-Y178 HydrophobicContact CG-CD1 4.28Å; E168-Y178 HydrophobicContact CG-CE1 3.62Å; E168-Y178 VanDerWaalsContact OE1-CE1 3.22Å; E168-Y178 WeakPolarHBondContact OE1-CE1 3.35Å; E168-Y178 VanDerWaalsContact OE1-CZ 3.32Å; E168-Y178 PolarHBondContact OE1-OH 2.85Å; N176-Y178 HydrophobicContact CB-CE2 4.03Å; Y178-F191 WeakPolarHBondContact O-CA 3.42Å; Y178-V192 PolarHBondContact O-N 3.16Å; Y178-F215 HydrophobicContact CD2-CB 4.46Å; Y178-F215 HydrophobicContact CD2-CD2 4.12Å; Y178-F215 HydrophobicContact CE2-CB 4Å; Y178-F215 HydrophobicContact CE2-CD2 4.48Å; Y178-F215 HydrophobicContact CE2-CG 4.48Å |
| 179 | A | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | F166 K167 L181 Q189 M190 F191 | F166-A179 CarbonylContact C-O 3.4Å; F166-A179 WeakPolarHBondContact CA-O 3.41Å; K167-A179 HydrophobicContact CB-CB 4.39Å; K167-A179 PolarHBondContact N-O 3.47Å; K167-A179 PolarHBondContact O-N 2.75Å; A179-L181 PolarHBondContact O-N 2.86Å; A179-Q189 HydrophobicContact CB-CB 4.23Å; A179-Q189 VanDerWaalsContact CB-OE1 3.25Å; A179-M190 CarbonylContact C-O 3.57Å; A179-M190 VanDerWaalsContact CA-O 3.26Å; A179-M190 WeakPolarHBondContact CA-O 3.32Å; A179-F191 HydrophobicContact CB-CD1 3.85Å; A179-F191 HydrophobicContact CB-CE1 3.69Å; A179-F191 HydrophobicContact CB-CZ 4.23Å |
| 180 | S | 98.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.014 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 127.9 | 171.5 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | W183 M190 | S180-W183 PolarHBondContact OG-N 3.3Å; S180-W183 VanDerWaalsContact OG-N 3.09Å; S180-M190 PolarHBondContact N-O 2.75Å |
| 181 | L | 98.3 | Very high | 97.3 | Very high | 60 Ų | 60 | 54.7 Ų | 54.7 | 31% | 0.314 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | -44.7 | 175.8 | 179.7 | 62.6 | 0 | 0 | 0 | 110.8 | V134 K165 K167 A179 | V134-L181 HydrophobicContact CG1-CD2 3.94Å; V134-L181 HydrophobicContact CG2-CD1 4.32Å; V134-L181 HydrophobicContact CG2-CD2 4.32Å; K165-L181 HydrophobicContact CB-CB 3.85Å; K165-L181 HydrophobicContact CB-CD2 3.75Å; K165-L181 HydrophobicContact CB-CG 4.43Å; K165-L181 HydrophobicContact CD-CD2 3.81Å; K165-L181 HydrophobicContact CG-CD2 4.4Å; K165-L181 VanDerWaalsContact O-CB 3.29Å; K165-L181 WeakPolarHBondContact O-CB 3.4Å; K165-L181 PolarHBondContact O-N 2.93Å; K167-L181 HydrophobicContact CD-CD1 4.17Å; K167-L181 HydrophobicContact CG-CD1 3.87Å; A179-L181 PolarHBondContact O-N 2.86Å |
| 182 | R | 97.8 | Very high | 97.4 | Very high | 134 Ų | 134 | 53.7 Ų | 53.7 | 51% | 0.506 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -43.9 | -174.4 | -177 | 175 | -178.5 | -171.6 | 4.4 | 113 | ||
| 183 | W | 98.3 | Very high | 97.7 | Very high | 44 Ų | 44 | 44.5 Ų | 44.5 | 17% | 0.167 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 128.8 | -164.8 | -53.1 | 120 | 0 | 0 | 0 | 112.8 | M148 K150 S163 S180 M190 | M148-W183 PolarHBondContact O-NE1 2.78Å; K150-W183 HydrophobicContact CB-CD2 4.07Å; K150-W183 HydrophobicContact CB-CE3 3.88Å; K150-W183 HydrophobicContact CB-CH2 4.05Å; K150-W183 HydrophobicContact CB-CZ2 4.24Å; K150-W183 HydrophobicContact CB-CZ3 3.88Å; K150-W183 HydrophobicContact CD-CE3 4.46Å; K150-W183 HydrophobicContact CD-CH2 4.46Å; K150-W183 HydrophobicContact CD-CZ3 3.96Å; K150-W183 HydrophobicContact CG-CD2 4.46Å; K150-W183 HydrophobicContact CG-CE3 3.81Å; K150-W183 HydrophobicContact CG-CH2 4.4Å; K150-W183 HydrophobicContact CG-CZ3 3.79Å; S163-W183 PolarHBondContact OG-NE1 2.85Å; S163-W183 VanDerWaalsContact OG-NE1 3.15Å; S180-W183 PolarHBondContact OG-N 3.3Å; S180-W183 VanDerWaalsContact OG-N 3.09Å; W183-M190 HydrophobicContact CB-CE 3.18Å; W183-M190 HydrophobicContact CG-CE 4.29Å |
| 184 | K | 97.9 | Very high | 97.9 | Very high | 124 Ų | 124 | 40.5 Ų | 40.5 | 54% | 0.539 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 160.4 | 174.3 | -63.3 | -178.9 | -176.3 | 177.4 | 0 | 109.6 | R188 | K184-R188 CarbonylContact C-O 3.55Å; K184-R188 VanDerWaalsContact CA-O 3.27Å; K184-R188 WeakPolarHBondContact CA-O 3.33Å; K184-R188 WeakPolarHBondContact CB-O 3.42Å |
| 185 | H | 97.5 | Very high | 98 | Very high | 102 Ų | 102 | 40.1 Ų | 40.1 | 47% | 0.472 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 114 | 175.6 | -177.6 | -74.7 | 0 | 0 | 0 | 109.6 | R188 M190 H204 | H185-R188 PolarHBondContact N-O 3.32Å; H185-R188 PolarHBondContact O-N 2.78Å; H185-M190 HydrophobicContact CB-CG 4.29Å; H185-M190 HydrophobicContact CB-SD 4.18Å; H185-H204 HydrophobicContact CB-CB 3.69Å |
| 186 | G | 96 | Very high | 98 | Very high | 81 Ų | 81 | 40.4 Ų | 40.4 | 84% | 0.835 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 49.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | R188 | G186-R188 PolarHBondContact O-N 2.82Š|
| 187 | G | 95.6 | Very high | 97.9 | Very high | 68 Ų | 68 | 50 Ų | 50 | 70% | 0.701 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | -17.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 188 | R | 96.9 | Very high | 97.9 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 28% | 0.279 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 142.5 | -175.4 | -165.9 | 172.6 | 52.9 | 70 | 13.6 | 113 | K184 H185 G186 H204 A206 R207 | K184-R188 CarbonylContact C-O 3.55Å; K184-R188 VanDerWaalsContact CA-O 3.27Å; K184-R188 WeakPolarHBondContact CA-O 3.33Å; K184-R188 WeakPolarHBondContact CB-O 3.42Å; H185-R188 PolarHBondContact N-O 3.32Å; H185-R188 PolarHBondContact O-N 2.78Å; G186-R188 PolarHBondContact O-N 2.82Å; R188-H204 PolarHBondContact NH2-O 3.07Å; R188-A206 PolarHBondContact NH1-O 2.83Å; R188-R207 VanDerWaalsContact NH2-CZ 3.28Å |
| 189 | Q | 98 | Very high | 97.9 | Very high | 56 Ų | 56 | 54.2 Ų | 54.2 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 145.2 | 174.9 | -66.5 | 177.1 | 61.9 | 0 | 0 | 111.9 | A179 F191 | A179-Q189 HydrophobicContact CB-CB 4.23Å; A179-Q189 VanDerWaalsContact CB-OE1 3.25Å; Q189-F191 HydrophobicContact CB-CE2 3.79Å; Q189-F191 HydrophobicContact CB-CZ 3.88Å; Q189-F191 WeakPolarHBondContact O-CE2 3.44Å |
| 190 | M | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 139.9 | 171.9 | -67.7 | -162 | -67.9 | 0 | 0 | 110 | M148 A179 S180 W183 H185 G203 H204 | M148-M190 HydrophobicContact SD-CB 3.63Å; M148-M190 HydrophobicContact SD-CE 4.15Å; A179-M190 CarbonylContact C-O 3.57Å; A179-M190 VanDerWaalsContact CA-O 3.26Å; A179-M190 WeakPolarHBondContact CA-O 3.32Å; S180-M190 PolarHBondContact N-O 2.75Å; W183-M190 HydrophobicContact CB-CE 3.18Å; W183-M190 HydrophobicContact CG-CE 4.29Å; H185-M190 HydrophobicContact CB-CG 4.29Å; H185-M190 HydrophobicContact CB-SD 4.18Å; M190-G203 WeakPolarHBondContact CA-O 3.19Å; M190-H204 HydrophobicContact CG-CB 4.24Å; M190-H204 HydrophobicContact SD-CB 3.82Å; M190-H204 PolarHBondContact SD-N 3.39Å |
| 191 | F | 98.8 | Very high | 97.8 | Very high | 9 Ų | 9 | 59.6 Ų | 59.6 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 143.6 | -171.1 | -64.3 | -94.6 | 0 | 0 | 0 | 112 | M148 Y178 A179 Q189 S193 G203 A206 R208 T213 | M148-F191 VanDerWaalsContact CE-C 3.45Å; M148-F191 WeakPolarHBondContact CE-O 3.48Å; Y178-F191 WeakPolarHBondContact O-CA 3.42Å; A179-F191 HydrophobicContact CB-CD1 3.85Å; A179-F191 HydrophobicContact CB-CE1 3.69Å; A179-F191 HydrophobicContact CB-CZ 4.23Å; Q189-F191 HydrophobicContact CB-CE2 3.79Å; Q189-F191 HydrophobicContact CB-CZ 3.88Å; Q189-F191 WeakPolarHBondContact O-CE2 3.44Å; F191-S193 PolarHBondContact O-N 2.73Å; F191-G203 PolarHBondContact N-O 2.99Å; F191-G203 WeakPolarHBondContact O-CA 3.41Å; F191-A206 HydrophobicContact CB-CB 3.94Å; F191-R208 HydrophobicContact CE1-CB 3.93Å; F191-R208 HydrophobicContact CE1-CG 3.85Å; F191-R208 HydrophobicContact CE2-CB 4.14Å; F191-R208 HydrophobicContact CZ-CB 3.59Å; F191-R208 HydrophobicContact CZ-CG 3.93Å; F191-T213 HydrophobicContact CB-CG2 3.51Å; F191-T213 HydrophobicContact CG-CG2 4.07Å |
| 192 | V | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.012 | 32% | 0.324 | C | S | . | . | trans | -57.8 | 133 | 161.5 | -179.9 | 0 | 0 | 0 | 0 | 107.2 | L146 M148 L154 F166 Y178 F215 | L146-V192 HydrophobicContact CD2-CG1 4.19Å; L146-V192 HydrophobicContact CD2-CG2 4.05Å; M148-V192 HydrophobicContact CE-CG2 4.37Å; L154-V192 HydrophobicContact CD1-CG1 3.88Å; L154-V192 HydrophobicContact CD2-CG2 4.11Å; F166-V192 HydrophobicContact CD1-CG2 3.74Å; F166-V192 HydrophobicContact CE1-CG2 3.57Å; F166-V192 HydrophobicContact CG-CG2 4.48Å; F166-V192 HydrophobicContact CZ-CG2 4.19Å; Y178-V192 PolarHBondContact O-N 3.16Å; V192-F215 HydrophobicContact CB-CE2 4.37Å; V192-F215 HydrophobicContact CG1-CE2 3.96Å; V192-F215 HydrophobicContact CG1-CZ 3.95Å | ||
| 193 | S | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.3 | C | S | . | . | trans | -160.3 | 144.2 | -179.7 | 52.2 | 0 | 0 | 0 | 0 | 113.9 | F191 P200 R201 A206 S212 | F191-S193 PolarHBondContact O-N 2.73Å; S193-P200 WeakPolarHBondContact O-CA 3.1Å; S193-R201 PolarHBondContact O-N 2.87Å; S193-R201 WeakPolarHBondContact OG-CB 3.28Å; S193-A206 WeakPolarHBondContact OG-CB 3.16Å; S193-S212 CarbonylContact C-O 3.55Å; S193-S212 WeakPolarHBondContact CA-O 3.3Å; S193-S212 WeakPolarHBondContact CB-O 2.97Å | ||
| 194 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -113.9 | 135.8 | 170 | -60.6 | -177.8 | 0 | 0 | 0 | 109.1 | N100 F102 L104 K199 P200 S212 F215 | N100-L194 PolarHBondContact ND2-O 3.09Å; F102-L194 HydrophobicContact CB-CD1 4.06Å; L104-L194 HydrophobicContact CD1-CD1 4.15Å; L104-L194 HydrophobicContact CD1-CD2 3.91Å; L104-L194 HydrophobicContact CD1-CG 4.21Å; L194-K199 CarbonylContact C-O 3.55Å; L194-K199 WeakPolarHBondContact CA-O 3.45Å; L194-P200 HydrophobicContact CD2-CB 4.39Å; L194-S212 PolarHBondContact N-O 2.87Å; L194-S212 VanDerWaalsContact O-CA 3.32Å; L194-S212 WeakPolarHBondContact O-CA 3.37Å; L194-S212 WeakPolarHBondContact O-CB 3.44Å; L194-F215 HydrophobicContact CD1-CE1 4.07Å; L194-F215 HydrophobicContact CG-CE1 4.1Å; L194-F215 HydrophobicContact CG-CZ 4.1Å |
| 195 | N | 97.8 | Very high | 97.7 | Very high | 32 Ų | 32 | 56.6 Ų | 56.6 | 17% | 0.171 | 30% | 0.3 | C | S | . | . | trans | -76.3 | 179 | 174.1 | 67.8 | 17.9 | 0 | 0 | 0 | 111.7 | N100 R197 G198 K199 R201 | N100-N195 VanDerWaalsContact ND2-C 3.29Å; N100-N195 PolarHBondContact ND2-O 3.15Å; N195-R197 PolarHBondContact O-N 2.91Å; N195-R197 WeakPolarHBondContact OD1-CA 3.34Å; N195-R197 WeakPolarHBondContact OD1-CB 3.16Å; N195-R197 PolarHBondContact OD1-N 3.07Å; N195-G198 PolarHBondContact O-N 3.33Å; N195-G198 PolarHBondContact OD1-N 2.87Å; N195-G198 VanDerWaalsContact OD1-N 3.15Å; N195-K199 VanDerWaalsContact CG-O 3.29Å; N195-K199 PolarHBondContact N-O 3.46Å; N195-K199 PolarHBondContact OD1-N 2.97Å; N195-K199 PolarHBondContact OD1-O 2.84Å; N195-R201 HydrophobicContact CB-CG 3.73Å | ||
| 196 | G | 97.3 | Very high | 97.7 | Very high | 55 Ų | 55 | 51.8 Ų | 51.8 | 57% | 0.567 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -10.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F102 | F102-G196 WeakPolarHBondContact CE2-O 3.46Š|
| 197 | R | 97.6 | Very high | 97.7 | Very high | 202 Ų | 202 | 53.5 Ų | 53.5 | 76% | 0.762 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 7.4 | 174.7 | -60.8 | -176.7 | -72.1 | -174.3 | -3.5 | 112.7 | N195 K199 | N195-R197 PolarHBondContact O-N 2.91Å; N195-R197 WeakPolarHBondContact OD1-CA 3.34Å; N195-R197 WeakPolarHBondContact OD1-CB 3.16Å; N195-R197 PolarHBondContact OD1-N 3.07Å; R197-K199 PolarHBondContact O-N 3.14Å |
| 198 | G | 97.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 77.3 | 1.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F102 G114 N195 | F102-G198 VanDerWaalsContact CE2-N 3.27Å; G114-G198 VanDerWaalsContact CA-O 3.23Å; G114-G198 WeakPolarHBondContact CA-O 3.25Å; G114-G198 PolarHBondContact N-O 3.15Å; N195-G198 PolarHBondContact O-N 3.33Å; N195-G198 PolarHBondContact OD1-N 2.87Å; N195-G198 VanDerWaalsContact OD1-N 3.15Å |
| 199 | K | 98.3 | Very high | 97.7 | Very high | 93 Ų | 93 | 61.3 Ų | 61.3 | 40% | 0.404 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -85.5 | 143.5 | -179.3 | -60.7 | -67.8 | 167.9 | -140.5 | 0 | 111.9 | D113 L194 N195 R197 R201 | D113-K199 WeakPolarHBondContact OD1-CD 3.26Å; D113-K199 IonicContact OD1-NZ 2.92Å; D113-K199 PolarHBondContact OD1-NZ 2.83Å; D113-K199 IonicContact OD2-NZ 3.71Å; D113-K199 PolarHBondContact OD2-NZ 2.85Å; L194-K199 CarbonylContact C-O 3.55Å; L194-K199 WeakPolarHBondContact CA-O 3.45Å; N195-K199 VanDerWaalsContact CG-O 3.29Å; N195-K199 PolarHBondContact N-O 3.46Å; N195-K199 PolarHBondContact OD1-N 2.97Å; N195-K199 PolarHBondContact OD1-O 2.84Å; R197-K199 PolarHBondContact O-N 3.14Å; K199-R201 PolarHBondContact O-N 2.88Å |
| 200 | P | 98.2 | Very high | 97.7 | Very high | 46 Ų | 46 | 62.9 Ų | 62.9 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -63 | 138.6 | 176.9 | 29.6 | -38.2 | 0 | 0 | 0 | 111 | V112 L154 S193 L194 | V112-P200 WeakPolarHBondContact O-CD 3.36Å; V112-P200 VanDerWaalsContact O-CG 3.28Å; V112-P200 WeakPolarHBondContact O-CG 3.4Å; L154-P200 HydrophobicContact CB-CB 4.37Å; L154-P200 HydrophobicContact CD1-CB 4.04Å; S193-P200 WeakPolarHBondContact O-CA 3.1Å; L194-P200 HydrophobicContact CD2-CB 4.39Å |
| 201 | R | 97.7 | Very high | 97.6 | Very high | 69 Ų | 69 | 65.9 Ų | 65.9 | 26% | 0.26 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 154.8 | 171.8 | -56.5 | 174.8 | 69.2 | -150.5 | 0.3 | 109.9 | S193 N195 K199 G203 K205 S212 | S193-R201 PolarHBondContact O-N 2.87Å; S193-R201 WeakPolarHBondContact OG-CB 3.28Å; N195-R201 HydrophobicContact CB-CG 3.73Å; K199-R201 PolarHBondContact O-N 2.88Å; R201-G203 PolarHBondContact O-N 2.93Å; R201-K205 PolarHBondContact NH2-O 3.48Å; R201-S212 PolarHBondContact NH1-OG 2.63Å |
| 202 | R | 98.2 | Very high | 97.6 | Very high | 141 Ų | 141 | 65.4 Ų | 65.4 | 53% | 0.532 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 129.5 | 169.5 | -63.4 | -168.8 | -177 | 174.5 | -2 | 109.5 | G152 H204 K205 A206 | G152-R202 CarbonylContact O-C 3.52Å; G152-R202 WeakPolarHBondContact O-CA 3.44Å; R202-H204 VanDerWaalsContact C-N 3.25Å; R202-H204 VanDerWaalsContact CD-CE1 3.43Å; R202-H204 WeakPolarHBondContact CD-CE1 3.33Å; R202-H204 PolarHBondContact O-N 3.25Å; R202-H204 VanDerWaalsContact O-N 3.16Å; R202-K205 HydrophobicContact CB-CG 4.32Å; R202-K205 WeakPolarHBondContact O-CA 3.43Å; R202-K205 WeakPolarHBondContact O-CB 3.25Å; R202-K205 PolarHBondContact O-N 3.21Å; R202-A206 PolarHBondContact O-N 2.88Å |
| 203 | G | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -58.4 | -31.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G152 M190 F191 R201 K205 A206 | G152-G203 PolarHBondContact O-N 3.49Å; M190-G203 WeakPolarHBondContact CA-O 3.19Å; F191-G203 PolarHBondContact N-O 2.99Å; F191-G203 WeakPolarHBondContact O-CA 3.41Å; R201-G203 PolarHBondContact O-N 2.93Å; G203-K205 VanDerWaalsContact C-N 3.26Å; G203-K205 PolarHBondContact O-N 3.28Å; G203-A206 WeakPolarHBondContact O-CB 3.43Å; G203-A206 PolarHBondContact O-N 3.48Å |
| 204 | H | 97.4 | Very high | 97.6 | Very high | 39 Ų | 39 | 66 Ų | 66 | 18% | 0.181 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -69.7 | -21 | 173.8 | 67.1 | -95.5 | 0 | 0 | 0 | 113 | K151 H185 R188 M190 R202 R207 | K151-H204 PolarHBondContact O-ND1 2.93Å; K151-H204 VanDerWaalsContact O-ND1 3.12Å; H185-H204 HydrophobicContact CB-CB 3.69Å; R188-H204 PolarHBondContact NH2-O 3.07Å; M190-H204 HydrophobicContact CG-CB 4.24Å; M190-H204 HydrophobicContact SD-CB 3.82Å; M190-H204 PolarHBondContact SD-N 3.39Å; R202-H204 VanDerWaalsContact C-N 3.25Å; R202-H204 VanDerWaalsContact CD-CE1 3.43Å; R202-H204 WeakPolarHBondContact CD-CE1 3.33Å; R202-H204 PolarHBondContact O-N 3.25Å; R202-H204 VanDerWaalsContact O-N 3.16Å; H204-R207 PolarHBondContact O-NH1 2.76Å |
| 205 | K | 97.3 | Very high | 97.6 | Very high | 120 Ų | 120 | 66 Ų | 66 | 52% | 0.522 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -85.4 | -17.3 | 173.8 | -59.7 | -170 | 176.2 | -171.1 | 0 | 112.5 | R201 R202 G203 R207 | R201-K205 PolarHBondContact NH2-O 3.48Å; R202-K205 HydrophobicContact CB-CG 4.32Å; R202-K205 WeakPolarHBondContact O-CA 3.43Å; R202-K205 WeakPolarHBondContact O-CB 3.25Å; R202-K205 PolarHBondContact O-N 3.21Å; G203-K205 VanDerWaalsContact C-N 3.26Å; G203-K205 PolarHBondContact O-N 3.28Å; K205-R207 PolarHBondContact O-NH1 3.15Å |
| 206 | A | 96.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | trans | -77.5 | 152.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R188 F191 S193 R202 G203 T213 | R188-A206 PolarHBondContact NH1-O 2.83Å; F191-A206 HydrophobicContact CB-CB 3.94Å; S193-A206 WeakPolarHBondContact OG-CB 3.16Å; R202-A206 PolarHBondContact O-N 2.88Å; G203-A206 WeakPolarHBondContact O-CB 3.43Å; G203-A206 PolarHBondContact O-N 3.48Å; A206-T213 HydrophobicContact CB-CG2 3.69Å | ||
| 207 | R | 96.5 | Very high | 97.5 | Very high | 118 Ų | 118 | 65.7 Ų | 65.7 | 45% | 0.445 | 28% | 0.28 | S | S | . | . | trans | -137 | 140.1 | -179.7 | -65.1 | -66.1 | -178.2 | -79.7 | 3.7 | 108.8 | R188 H204 K205 R209 H210 T213 | R188-R207 VanDerWaalsContact NH2-CZ 3.28Å; H204-R207 PolarHBondContact O-NH1 2.76Å; K205-R207 PolarHBondContact O-NH1 3.15Å; R207-R209 VanDerWaalsContact C-N 3.32Å; R207-R209 PolarHBondContact O-N 3.19Å; R207-H210 HydrophobicContact CB-CB 4.08Å; R207-H210 VanDerWaalsContact O-CB 3.31Å; R207-H210 WeakPolarHBondContact O-CB 3.44Å; R207-H210 PolarHBondContact O-N 3.18Å; R207-T213 VanDerWaalsContact O-CG2 3.26Å; R207-T213 WeakPolarHBondContact O-CG2 3.26Å; R207-T213 PolarHBondContact O-OG1 3.24Å; R207-T213 VanDerWaalsContact O-OG1 3.07Å | ||
| 208 | R | 96.9 | Very high | 97.4 | Very high | 95 Ų | 95 | 59.3 Ų | 59.3 | 36% | 0.358 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -43.9 | -174.8 | -165.2 | -177.9 | 92.6 | -157 | 5.2 | 113.9 | E171 T177 F191 H210 T213 H214 | E171-R208 WeakPolarHBondContact OE1-CD 3.42Å; E171-R208 VanDerWaalsContact OE1-CG 3.24Å; E171-R208 WeakPolarHBondContact OE1-CG 3.14Å; E171-R208 IonicContact OE1-NE 3.59Å; E171-R208 IonicContact OE2-CZ 3.8Å; E171-R208 IonicContact OE2-NE 2.96Å; E171-R208 PolarHBondContact OE2-NE 3.02Å; E171-R208 IonicContact OE2-NH2 3.85Å; T177-R208 HydrophobicContact CG2-CG 4.22Å; F191-R208 HydrophobicContact CE1-CB 3.93Å; F191-R208 HydrophobicContact CE1-CG 3.85Å; F191-R208 HydrophobicContact CE2-CB 4.14Å; F191-R208 HydrophobicContact CZ-CB 3.59Å; F191-R208 HydrophobicContact CZ-CG 3.93Å; R208-H210 VanDerWaalsContact C-N 3.27Å; R208-H210 PolarHBondContact O-N 2.97Å; R208-T213 PolarHBondContact O-OG1 2.89Å; R208-T213 VanDerWaalsContact O-OG1 3.09Å; R208-H214 PolarHBondContact O-NE2 2.98Å |
| 209 | R | 96.1 | Very high | 97.2 | Very high | 210 Ų | 210 | 65.1 Ų | 65.1 | 79% | 0.792 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -9.8 | -179.1 | -64.8 | -175.9 | 177.8 | 172.3 | -1.9 | 113.4 | R207 | R207-R209 VanDerWaalsContact C-N 3.32Å; R207-R209 PolarHBondContact O-N 3.19Å |
| 210 | H | 97.3 | Very high | 96.7 | Very high | 89 Ų | 89 | 63.4 Ų | 63.4 | 41% | 0.412 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -83.3 | 133.5 | -175.4 | -171.3 | -84.4 | 0 | 0 | 0 | 110.5 | R207 R208 S212 T213 | R207-H210 HydrophobicContact CB-CB 4.08Å; R207-H210 VanDerWaalsContact O-CB 3.31Å; R207-H210 WeakPolarHBondContact O-CB 3.44Å; R207-H210 PolarHBondContact O-N 3.18Å; R208-H210 VanDerWaalsContact C-N 3.27Å; R208-H210 PolarHBondContact O-N 2.97Å; H210-S212 VanDerWaalsContact ND1-CB 3.3Å; H210-S212 WeakPolarHBondContact ND1-CB 3.48Å; H210-S212 PolarHBondContact ND1-N 2.63Å; H210-S212 VanDerWaalsContact ND1-N 3.16Å; H210-S212 PolarHBondContact ND1-OG 2.8Å; H210-S212 PolarHBondContact O-N 2.95Å; H210-T213 PolarHBondContact O-N 3.11Å; H210-T213 PolarHBondContact O-OG1 3.02Å |
| 211 | P | 96.9 | Very high | 95.6 | Very high | 63 Ų | 63 | 66.1 Ų | 66.1 | 41% | 0.409 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -54.3 | -29.3 | -176 | -28.9 | 34.7 | 0 | 0 | 0 | 114.5 | A99 T213 H214 | A99-P211 HydrophobicContact CB-CB 4.22Å; P211-T213 PolarHBondContact O-N 2.82Å; P211-H214 WeakPolarHBondContact O-CB 3.37Å; P211-H214 PolarHBondContact O-N 3.5Å |
| 212 | S | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -55.7 | -22.1 | 175.4 | 68.4 | 0 | 0 | 0 | 0 | 114.7 | S193 L194 R201 H210 | S193-S212 CarbonylContact C-O 3.55Å; S193-S212 WeakPolarHBondContact CA-O 3.3Å; S193-S212 WeakPolarHBondContact CB-O 2.97Å; L194-S212 PolarHBondContact N-O 2.87Å; L194-S212 VanDerWaalsContact O-CA 3.32Å; L194-S212 WeakPolarHBondContact O-CA 3.37Å; L194-S212 WeakPolarHBondContact O-CB 3.44Å; R201-S212 PolarHBondContact NH1-OG 2.63Å; H210-S212 VanDerWaalsContact ND1-CB 3.3Å; H210-S212 WeakPolarHBondContact ND1-CB 3.48Å; H210-S212 PolarHBondContact ND1-N 2.63Å; H210-S212 VanDerWaalsContact ND1-N 3.16Å; H210-S212 PolarHBondContact ND1-OG 2.8Å; H210-S212 PolarHBondContact O-N 2.95Å |
| 213 | T | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -96.6 | -4.7 | -179.4 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | F191 A206 R207 R208 H210 P211 F215 | F191-T213 HydrophobicContact CB-CG2 3.51Å; F191-T213 HydrophobicContact CG-CG2 4.07Å; A206-T213 HydrophobicContact CB-CG2 3.69Å; R207-T213 VanDerWaalsContact O-CG2 3.26Å; R207-T213 WeakPolarHBondContact O-CG2 3.26Å; R207-T213 PolarHBondContact O-OG1 3.24Å; R207-T213 VanDerWaalsContact O-OG1 3.07Å; R208-T213 PolarHBondContact O-OG1 2.89Å; R208-T213 VanDerWaalsContact O-OG1 3.09Å; H210-T213 PolarHBondContact O-N 3.11Å; H210-T213 PolarHBondContact O-OG1 3.02Å; P211-T213 PolarHBondContact O-N 2.82Å; T213-F215 VanDerWaalsContact O-CD2 3.31Å; T213-F215 WeakPolarHBondContact O-CD2 3.47Å |
| 214 | H | 98.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 65.5 Ų | 65.5 | 6% | 0.06 | 32% | 0.316 | C | S | . | . | trans | -92.7 | 127.3 | -173.4 | -66.6 | 179 | 0 | 0 | 0 | 109.8 | S98 A99 N173 Y175 R208 P211 | S98-H214 CarbonylContact C-O 3.51Å; S98-H214 VanDerWaalsContact CA-O 3.3Å; S98-H214 WeakPolarHBondContact CA-O 3.29Å; A99-H214 HydrophobicContact CB-CB 3.86Å; A99-H214 PolarHBondContact N-O 3.09Å; N173-H214 PolarHBondContact ND2-CE1 3.5Å; N173-H214 VanDerWaalsContact ND2-CE1 3.32Å; N173-H214 PolarHBondContact ND2-ND1 2.84Å; Y175-H214 HydrophobicContact CD1-CB 3.85Å; Y175-H214 HydrophobicContact CG-CB 3.84Å; R208-H214 PolarHBondContact O-NE2 2.98Å; P211-H214 WeakPolarHBondContact O-CB 3.37Å; P211-H214 PolarHBondContact O-N 3.5Å | ||
| 215 | F | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 135.1 | 178.6 | -64.5 | -92.9 | 0 | 0 | 0 | 110.3 | L96 Y97 L104 N176 Y178 V192 L194 T213 | L96-F215 HydrophobicContact CB-CB 4.49Å; L96-F215 HydrophobicContact CB-CD1 4.13Å; Y97-F215 CarbonylContact O-C 3.52Å; Y97-F215 WeakPolarHBondContact O-CA 3.13Å; L104-F215 HydrophobicContact CB-CE1 4.41Å; N176-F215 WeakPolarHBondContact CA-O 3.39Å; N176-F215 PolarHBondContact N-O 2.7Å; N176-F215 PolarHBondContact O-N 3.23Å; Y178-F215 HydrophobicContact CD2-CB 4.46Å; Y178-F215 HydrophobicContact CD2-CD2 4.12Å; Y178-F215 HydrophobicContact CE2-CB 4Å; Y178-F215 HydrophobicContact CE2-CD2 4.48Å; Y178-F215 HydrophobicContact CE2-CG 4.48Å; V192-F215 HydrophobicContact CB-CE2 4.37Å; V192-F215 HydrophobicContact CG1-CE2 3.96Å; V192-F215 HydrophobicContact CG1-CZ 3.95Å; L194-F215 HydrophobicContact CD1-CE1 4.07Å; L194-F215 HydrophobicContact CG-CE1 4.1Å; L194-F215 HydrophobicContact CG-CZ 4.1Å; T213-F215 VanDerWaalsContact O-CD2 3.31Å; T213-F215 WeakPolarHBondContact O-CD2 3.47Å |
| 216 | L | 97.5 | Very high | 95 | Very high | 64 Ų | 64 | 63.8 Ų | 63.8 | 34% | 0.335 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 115.4 | 174.6 | -176.8 | 65 | 0 | 0 | 0 | 108.3 | Y97 Y175 M218 | Y97-L216 PolarHBondContact N-O 3.43Å; Y97-L216 PolarHBondContact O-N 3.15Å; Y175-L216 HydrophobicContact CD1-CB 3.95Å; Y175-L216 HydrophobicContact CE1-CB 3.8Å; L216-M218 HydrophobicContact CD2-CG 4.33Å; L216-M218 HydrophobicContact CG-CG 4.27Å; L216-M218 PolarHBondContact O-N 3.24Å |
| 217 | P | 96.2 | Very high | 94.9 | Very high | 18 Ų | 18 | 68 Ų | 68 | 12% | 0.117 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 109.6 | 173 | -16.1 | 30.7 | 0 | 0 | 0 | 110.1 | R94 L96 | R94-P217 HydrophobicContact CB-CB 4.18Å; R94-P217 HydrophobicContact CG-CB 4.1Å; L96-P217 HydrophobicContact CD2-CB 4.28Å; L96-P217 HydrophobicContact CD2-CG 4.22Å |
| 218 | M | 95.3 | Very high | 94.7 | Very high | 67 Ų | 67 | 64.4 Ų | 64.4 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 145.8 | 179.5 | -62.9 | -176.9 | 72.1 | 0 | 0 | 111.1 | R94 R95 Y97 F103 L216 | R94-M218 CarbonylContact C-O 3.59Å; R94-M218 WeakPolarHBondContact CA-O 3.26Å; R94-M218 WeakPolarHBondContact CB-O 3.14Å; R94-M218 WeakPolarHBondContact CD-O 3.43Å; R95-M218 PolarHBondContact N-O 3.07Å; R95-M218 PolarHBondContact O-N 3.44Å; Y97-M218 VanDerWaalsContact CB-SD 3.53Å; Y97-M218 HydrophobicContact CD1-SD 4.08Å; Y97-M218 HydrophobicContact CG-SD 3.82Å; F103-M218 HydrophobicContact CE1-SD 3.94Å; F103-M218 HydrophobicContact CZ-SD 4.41Å; L216-M218 HydrophobicContact CD2-CG 4.33Å; L216-M218 HydrophobicContact CG-CG 4.27Å; L216-M218 PolarHBondContact O-N 3.24Å |
| 219 | L | 92.4 | Very high | 94.6 | Very high | 123 Ų | 123 | 62.1 Ų | 62.1 | 64% | 0.644 | 32% | 0.322 | S | S | * | . | trans | -63.4 | 144.6 | 170.2 | -69.5 | 173.1 | 0 | 0 | 0 | 110.5 | S221 | L219-S221 PolarHBondContact O-N 2.63Å; L219-S221 VanDerWaalsContact O-N 3.14Å | ||
| 220 | P | 87.8 | Confident | 94.4 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | trans | -65.2 | 114.1 | 167.6 | 26.4 | -30.1 | 0 | 0 | 0 | 108.9 | L93 R95 L124 | L93-P220 WeakPolarHBondContact O-CD 3.35Å; R95-P220 VanDerWaalsContact NH1-CA 3.27Å; L124-P220 HydrophobicContact CD1-CB 3.87Å; L124-P220 HydrophobicContact CD1-CG 4.22Å | ||
| 221 | S | 76.2 | Confident | 94.2 | Very high | 104 Ų | 104 | 46.2 Ų | 46.2 | 73% | 0.727 | 27% | 0.271 | S | S | * | . | trans | -79.9 | 0 | 160.6 | 65.1 | 0 | 0 | 0 | 0 | 111.1 | R95 K118 L219 | R95-S221 PolarHBondContact NH1-O 3.36Å; K118-S221 WeakPolarHBondContact CE-OG 3.48Å; K118-S221 PolarHBondContact NZ-OG 3.23Å; L219-S221 PolarHBondContact O-N 2.63Å; L219-S221 VanDerWaalsContact O-N 3.14Å |
Retrieved 221 of 221 residues in 213.8 ms
(Link to these results)