| 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 | C | 38.4 | Very low | 38.1 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 100% | 1.203 | 84% | 0.844 | S | S | * | * | 0 | 128.5 | 0 | -51.8 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 2 | L | 38.6 | Very low | 37.7 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 86% | 0.859 | 84% | 0.835 | S | S | * | * | cis | -170.3 | 129.6 | -10.2 | -116.7 | 156.1 | 0 | 0 | 0 | 102 | ||||
| 3 | L | 41.1 | Very low | 37.8 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | trans | -67.5 | 165.5 | 155.7 | -72.1 | 165.3 | 0 | 0 | 0 | 108.5 | ||||
| 4 | P | 54.8 | Low | 37.5 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | -140.3 | 165.2 | 92.4 | 27.1 | -7.1 | 0 | 0 | 0 | 111.4 | |||||
| 5 | G | 35.1 | Very low | 37.5 | Very low | 79 Ų | 79 | 142.4 Ų | 142.4 | 81% | 0.814 | 84% | 0.839 | S | S | * | * | cis | 123.5 | 124.7 | 16.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 6 | G | 31.7 | Very low | 37.4 | Very low | 69 Ų | 69 | 139.6 Ų | 139.6 | 71% | 0.711 | 83% | 0.829 | S | S | * | * | trans | 123.6 | 105.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 7 | S | 34.9 | Very low | 37.5 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | cis | 72.9 | 133 | 45 | 89.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 8 | V | 37.7 | Very low | 38 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 67% | 0.673 | 82% | 0.824 | S | S | * | * | cis | -169.4 | 151.4 | 24.5 | 169.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 9 | T | 36.9 | Very low | 38.7 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | -177 | 125.8 | 121.4 | 32.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 10 | E | 32.9 | Very low | 38.3 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -75.7 | 160 | 169.2 | -69 | 162.7 | 126.5 | 0 | 0 | 112.7 | ||||
| 11 | M | 36.4 | Very low | 38.1 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | -170.1 | 142.4 | 117.8 | -104.2 | -178.1 | -164.8 | 0 | 0 | 113.1 | |||||
| 12 | D | 34.2 | Very low | 37.7 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -63.2 | 162.3 | -174.1 | -65.1 | -72.3 | 0 | 0 | 0 | 118.1 | ||||
| 13 | Q | 38.1 | Very low | 37.4 | Very low | 187 Ų | 187 | 135.9 Ų | 135.9 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | 176.5 | 123.2 | 105.9 | -93.1 | 176.4 | 22.2 | 0 | 0 | 115 | |||||
| 14 | N | 34.4 | Very low | 37 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | 10.2 | 137.7 | 140.5 | -89.8 | -20.1 | 0 | 0 | 0 | 120.7 | ||||
| 15 | N | 36.6 | Very low | 36.1 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 89% | 0.893 | 78% | 0.782 | S | S | * | * | -158.6 | 145.4 | 112.3 | -141.3 | -1.6 | 0 | 0 | 0 | 114.5 | |||||
| 16 | S | 36.7 | Very low | 36.7 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | -102.7 | 157.9 | -171.7 | -58 | 0 | 0 | 0 | 0 | 113 | ||||
| 17 | I | 39.2 | Very low | 36.7 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -69.5 | 164.6 | 170 | -28.6 | 177.7 | 0 | 0 | 0 | 110.7 | ||||
| 18 | P | 45.6 | Very low | 36.5 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | -154.9 | -152.3 | 81.1 | 41.9 | -16.7 | 0 | 0 | 0 | 114.2 | |||||
| 19 | P | 52 | Low | 36.2 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | -130.3 | -177 | -102.4 | 39.8 | -19 | 0 | 0 | 0 | 115.8 | |||||
| 20 | F | 31.7 | Very low | 36.1 | Very low | 178 Ų | 178 | 139.3 Ų | 139.3 | 78% | 0.781 | 80% | 0.797 | S | S | * | * | trans | 148.6 | 156.9 | 151.6 | -103.4 | -124.5 | 0 | 0 | 0 | 110.9 | ||||
| 21 | Q | 32.2 | Very low | 36.3 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | cis | -178.6 | 134.7 | -24.6 | -171.9 | -180 | 38.4 | 0 | 0 | 107.1 | ||||
| 22 | G | 30 | Very low | 36.8 | Very low | 63 Ų | 63 | 134.6 Ų | 134.6 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | trans | 68.9 | 133.8 | 136.2 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 23 | L | 33.4 | Very low | 36.7 | Very low | 180 Ų | 180 | 131.8 Ų | 131.8 | 94% | 0.942 | 80% | 0.796 | S | S | * | * | trans | 78.4 | 148.3 | 142 | -61.3 | 157.5 | 0 | 0 | 0 | 117.9 | ||||
| 24 | A | 33.2 | Very low | 36.7 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | cis | -170.6 | 158 | -12.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 25 | S | 35.9 | Very low | 37.4 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -63.3 | 166.8 | 167.9 | -43 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 26 | P | 46.1 | Very low | 37.4 | Very low | 127 Ų | 127 | 130.3 Ų | 130.3 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | -143.4 | 162 | 115.5 | 32.6 | -15.5 | 0 | 0 | 0 | 115.9 | |||||
| 27 | Q | 32.5 | Very low | 37.2 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -85.2 | 158.9 | 170.4 | -67.1 | 168.4 | -29.7 | 0 | 0 | 111.5 | ||||
| 28 | G | 31.6 | Very low | 36.8 | Very low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | trans | 104.7 | 105.9 | 130.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 29 | A | 31.2 | Very low | 37.1 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | 66.7 | 145.1 | 127.5 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 30 | M | 34.2 | Very low | 36.3 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | 111 | 108.4 | 150.9 | -58.7 | -76.5 | 167.8 | 0 | 0 | 118.2 | ||||
| 31 | T | 36.6 | Very low | 36.6 | Very low | 130 Ų | 130 | 135.3 Ų | 135.3 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | trans | -69.9 | -175.6 | 154.2 | 41.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 32 | P | 46.9 | Very low | 37.4 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | cis | -135.3 | 177.6 | -6.9 | 25.2 | -0.7 | 0 | 0 | 0 | 114.9 | ||||
| 33 | G | 32.1 | Very low | 37.6 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -155.1 | 114.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 34 | M | 38.3 | Very low | 37.5 | Very low | 185 Ų | 185 | 136.2 Ų | 136.2 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -98.8 | 160.1 | 165.9 | -76 | -172.6 | 168.8 | 0 | 0 | 110.2 | ||||
| 35 | P | 50.3 | Low | 37.4 | Very low | 122 Ų | 122 | 138.2 Ų | 138.2 | 79% | 0.792 | 82% | 0.824 | S | S | * | * | -134.9 | 134.3 | 116.1 | 15.9 | 5.4 | 0 | 0 | 0 | 112 | |||||
| 36 | M | 34.9 | Very low | 37.1 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 81% | 0.808 | 82% | 0.82 | S | S | * | * | 62.5 | 108.9 | 86.9 | -85.5 | -75.5 | -84.4 | 0 | 0 | 114.7 | |||||
| 37 | F | 33.4 | Very low | 36.3 | Very low | 207 Ų | 207 | 138 Ų | 138 | 91% | 0.908 | 82% | 0.822 | S | S | * | * | -172.4 | 117.9 | 127.7 | -108.8 | -78 | 0 | 0 | 0 | 110.6 | |||||
| 38 | S | 31.8 | Very low | 36.6 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 72% | 0.72 | 81% | 0.814 | S | S | * | * | trans | -101.2 | 161.4 | 155.9 | -64.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 39 | P | 51.4 | Low | 36.7 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | -152.3 | 152.2 | 100.5 | 32.2 | -11.3 | 0 | 0 | 0 | 117.8 | |||||
| 40 | M | 34 | Very low | 36.6 | Very low | 183 Ų | 183 | 141 Ų | 141 | 90% | 0.901 | 82% | 0.821 | S | S | * | * | trans | 79.3 | 133.6 | 138.2 | -64.5 | -91.5 | 99.8 | 0 | 0 | 122.6 | ||||
| 41 | M | 38.9 | Very low | 36.4 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | trans | -94.6 | 178.4 | 175.4 | -57.1 | -135.3 | -72.8 | 0 | 0 | 112.2 | ||||
| 42 | P | 49.1 | Very low | 36 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | -150.2 | 150.8 | 83.3 | 35.3 | -14.1 | 0 | 0 | 0 | 118.6 | |||||
| 43 | Y | 33.7 | Very low | 35.2 | Very low | 221 Ų | 221 | 140.6 Ų | 140.6 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | 19.8 | 133.5 | 149.2 | -73.8 | -89.2 | 0 | 0 | 0 | 124.3 | ||||
| 44 | G | 30.5 | Very low | 34.9 | Very low | 79 Ų | 79 | 144.3 Ų | 144.3 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -176.5 | 117.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 45 | S | 32 | Very low | 34.7 | Very low | 128 Ų | 128 | 141 Ų | 141 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -71.8 | 148 | -168 | 45.3 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 46 | G | 29.3 | Very low | 33.9 | Very low | 70 Ų | 70 | 141 Ų | 141 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 150.4 | 125.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 47 | L | 30.5 | Very low | 33.6 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | trans | 88.9 | 106.2 | 155 | -50.9 | 174.7 | 0 | 0 | 0 | 119.2 | ||||
| 48 | T | 37.1 | Very low | 33.3 | Very low | 123 Ų | 123 | 134.9 Ų | 134.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 22.9 | 121.1 | 147.7 | 57.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 49 | P | 33.6 | Very low | 33.3 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 122 | 168.6 | 30.2 | -28.1 | 0 | 0 | 0 | 112.7 | ||
| 50 | Q | 29.2 | Very low | 32.3 | Very low | 168 Ų | 168 | 132.8 Ų | 132.8 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 145.4 | 162 | -76 | -84.6 | 2.5 | 0 | 0 | 110.6 | ||
| 51 | P | 31 | Very low | 32.2 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 129.6 | 177.9 | 27.9 | -30 | 0 | 0 | 0 | 111.9 | Q53 | P51-Q53 PolarHBondContact O-N 3.11Š|
| 52 | V | 28.3 | Very low | 31.9 | Very low | 144 Ų | 144 | 127 Ų | 127 | 87% | 0.873 | 74% | 0.743 | S | S | * | * | trans | -64.9 | 113.3 | 175.9 | 180 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 53 | Q | 29.1 | Very low | 31 | Very low | 173 Ų | 173 | 124.8 Ų | 124.8 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | trans | -79.8 | 117.6 | 168.7 | -79.8 | -174 | -19.5 | 0 | 0 | 110.4 | P51 T55 | P51-Q53 PolarHBondContact O-N 3.11Å; Q53-T55 PolarHBondContact O-N 3.4Å; Q53-T55 VanDerWaalsContact O-N 3.14Å | ||
| 54 | N | 26.3 | Very low | 31 | Very low | 156 Ų | 156 | 119.7 Ų | 119.7 | 83% | 0.834 | 72% | 0.718 | S | S | * | * | trans | -67.4 | 100.5 | 175.6 | -158.6 | 4 | 0 | 0 | 0 | 109.8 | ||||
| 55 | T | 34 | Very low | 31.2 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | trans | -102.4 | 84.8 | 179.5 | 49.3 | 0 | 0 | 0 | 0 | 110 | Q53 | Q53-T55 PolarHBondContact O-N 3.4Å; Q53-T55 VanDerWaalsContact O-N 3.14Å | ||
| 56 | N | 33 | Very low | 31.4 | Very low | 122 Ų | 122 | 121.7 Ų | 121.7 | 65% | 0.652 | 69% | 0.693 | S | S | * | * | trans | -157 | 30.2 | 169.8 | -99.8 | -32.7 | 0 | 0 | 0 | 116.7 | ||||
| 57 | S | 29.2 | Very low | 31.7 | Very low | 93 Ų | 93 | 121 Ų | 121 | 65% | 0.65 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -127.8 | -3.7 | 173.5 | 52.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 58 | L | 28.4 | Very low | 31.9 | Very low | 151 Ų | 151 | 118.9 Ų | 118.9 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -100.5 | -14.8 | 177 | -98.7 | 140.1 | 0 | 0 | 0 | 114.6 | T62 | L58-T62 PolarHBondContact O-OG1 3.19Š|
| 59 | S | 30.1 | Very low | 32 | Very low | 56 Ų | 56 | 116.7 Ų | 116.7 | 39% | 0.392 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -84.4 | -24.1 | -179.8 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | S63 | S59-S63 WeakPolarHBondContact O-CB 3.44Å; S59-S63 PolarHBondContact O-N 3.47Å; S59-S63 PolarHBondContact O-OG 2.81Å |
| 60 | I | 31.2 | Very low | 32.3 | Very low | 119 Ų | 119 | 117 Ų | 117 | 61% | 0.61 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -83.1 | -26.4 | -178.2 | -61.4 | -179 | 0 | 0 | 0 | 111.8 | N64 | I60-N64 PolarHBondContact O-N 2.93Å |
| 61 | L | 31.1 | Very low | 32.7 | Very low | 133 Ų | 133 | 114.2 Ų | 114.2 | 70% | 0.696 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -80.4 | -29.1 | 174.9 | -95.6 | 141.6 | 0 | 0 | 0 | 113.6 | ||
| 62 | T | 33.1 | Very low | 33.3 | Very low | 79 Ų | 79 | 112.5 Ų | 112.5 | 49% | 0.485 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -79.2 | -38.8 | 174.3 | 16.8 | 0 | 0 | 0 | 0 | 112 | L58 N64 K65 N66 | L58-T62 PolarHBondContact O-OG1 3.19Å; T62-N64 VanDerWaalsContact C-N 3.3Å; T62-N64 PolarHBondContact O-N 3.13Å; T62-K65 PolarHBondContact O-N 3.25Å; T62-N66 PolarHBondContact O-N 3.01Å; T62-N66 VanDerWaalsContact O-N 3.12Å |
| 63 | S | 31.5 | Very low | 33.8 | Very low | 75 Ų | 75 | 107.8 Ų | 107.8 | 52% | 0.524 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.8 | -34.1 | 177.8 | -58.8 | 0 | 0 | 0 | 0 | 112.8 | S59 S67 | S59-S63 WeakPolarHBondContact O-CB 3.44Å; S59-S63 PolarHBondContact O-N 3.47Å; S59-S63 PolarHBondContact O-OG 2.81Å; S63-S67 PolarHBondContact O-N 3.4Å; S63-S67 PolarHBondContact O-OG 2.94Å |
| 64 | N | 32.4 | Very low | 34.2 | Very low | 114 Ų | 114 | 105.9 Ų | 105.9 | 61% | 0.61 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -77.3 | -26.1 | 179 | -128.8 | 2.1 | 0 | 0 | 0 | 113.3 | I60 T62 S67 | I60-N64 PolarHBondContact O-N 2.93Å; T62-N64 VanDerWaalsContact C-N 3.3Å; T62-N64 PolarHBondContact O-N 3.13Å; N64-S67 PolarHBondContact O-OG 3.11Å |
| 65 | K | 34.8 | Very low | 34.9 | Very low | 151 Ų | 151 | 105.7 Ų | 105.7 | 66% | 0.657 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -74.7 | -42.7 | 171.8 | -90.5 | -179.4 | 175.3 | 173 | 0 | 111.7 | T62 H68 L69 | T62-K65 PolarHBondContact O-N 3.25Å; K65-H68 PolarHBondContact O-N 3.29Å; K65-L69 WeakPolarHBondContact O-CB 3.42Å; K65-L69 VanDerWaalsContact O-CG 3.27Å; K65-L69 WeakPolarHBondContact O-CG 3.46Å; K65-L69 PolarHBondContact O-N 3.44Å |
| 66 | N | 35.9 | Very low | 35.4 | Very low | 98 Ų | 98 | 101.5 Ų | 101.5 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | -178.7 | -75.7 | -4.2 | 0 | 0 | 0 | 112.3 | T62 H68 L69 E70 | T62-N66 PolarHBondContact O-N 3.01Å; T62-N66 VanDerWaalsContact O-N 3.12Å; N66-H68 PolarHBondContact O-N 3.48Å; N66-L69 PolarHBondContact O-N 2.96Å; N66-E70 WeakPolarHBondContact O-CB 3.45Å; N66-E70 WeakPolarHBondContact O-CG 3.45Å; N66-E70 PolarHBondContact O-N 2.79Å |
| 67 | S | 35.7 | Very low | 35.6 | Very low | 55 Ų | 55 | 98 Ų | 98 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.5 | -32.9 | 176.9 | 40 | 0 | 0 | 0 | 0 | 113.3 | S63 N64 Q71 | S63-S67 PolarHBondContact O-N 3.4Å; S63-S67 PolarHBondContact O-OG 2.94Å; N64-S67 PolarHBondContact O-OG 3.11Å; S67-Q71 WeakPolarHBondContact O-CB 3.44Å; S67-Q71 PolarHBondContact O-N 3Å |
| 68 | H | 36.1 | Very low | 36.2 | Very low | 123 Ų | 123 | 96.9 Ų | 96.9 | 57% | 0.569 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -74.1 | -32.8 | 173.7 | -129.4 | -78.1 | 0 | 0 | 0 | 112.9 | K65 N66 N72 | K65-H68 PolarHBondContact O-N 3.29Å; N66-H68 PolarHBondContact O-N 3.48Å; H68-N72 WeakPolarHBondContact O-CB 3.45Å; H68-N72 PolarHBondContact O-N 2.7Å; H68-N72 VanDerWaalsContact O-N 3.08Å |
| 69 | L | 38.7 | Very low | 36.8 | Very low | 78 Ų | 78 | 91.2 Ų | 91.2 | 41% | 0.408 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.7 | -44.7 | 173.2 | -72 | 170.7 | 0 | 0 | 0 | 111.1 | K65 N66 N72 Y73 | K65-L69 WeakPolarHBondContact O-CB 3.42Å; K65-L69 VanDerWaalsContact O-CG 3.27Å; K65-L69 WeakPolarHBondContact O-CG 3.46Å; K65-L69 PolarHBondContact O-N 3.44Å; N66-L69 PolarHBondContact O-N 2.96Å; L69-N72 PolarHBondContact O-N 3.34Å; L69-Y73 WeakPolarHBondContact O-CB 3.21Å; L69-Y73 WeakPolarHBondContact O-CD2 3.5Å; L69-Y73 PolarHBondContact O-N 2.88Å |
| 70 | E | 38.7 | Very low | 37.4 | Very low | 143 Ų | 143 | 90 Ų | 90 | 67% | 0.668 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 174.8 | -77.4 | -167.4 | 159.2 | 0 | 0 | 112.2 | N66 N72 Y73 F74 | N66-E70 WeakPolarHBondContact O-CB 3.45Å; N66-E70 WeakPolarHBondContact O-CG 3.45Å; N66-E70 PolarHBondContact O-N 2.79Å; E70-N72 PolarHBondContact O-N 2.8Å; E70-Y73 PolarHBondContact O-N 3.12Å; E70-F74 VanDerWaalsContact O-CB 3.32Å; E70-F74 WeakPolarHBondContact O-CB 3.35Å; E70-F74 PolarHBondContact O-N 3.23Å |
| 71 | Q | 38.3 | Very low | 37.6 | Very low | 109 Ų | 109 | 92.5 Ų | 92.5 | 51% | 0.509 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.2 | -45.8 | 171.6 | -97.7 | -167.4 | 0.2 | 0 | 0 | 111.5 | S67 Y73 F74 Y75 | S67-Q71 WeakPolarHBondContact O-CB 3.44Å; S67-Q71 PolarHBondContact O-N 3Å; Q71-Y73 VanDerWaalsContact C-N 3.33Å; Q71-Y73 PolarHBondContact O-N 3.34Å; Q71-F74 WeakPolarHBondContact O-CB 3.33Å; Q71-F74 PolarHBondContact O-N 2.98Å; Q71-Y75 WeakPolarHBondContact O-CD2 3.48Å; Q71-Y75 PolarHBondContact O-N 2.56Å |
| 72 | N | 43.3 | Very low | 37.8 | Very low | 77 Ų | 77 | 91.5 Ų | 91.5 | 41% | 0.412 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 177.1 | -109.6 | -31.9 | 0 | 0 | 0 | 111.9 | H68 L69 E70 F74 Y75 L76 | H68-N72 WeakPolarHBondContact O-CB 3.45Å; H68-N72 PolarHBondContact O-N 2.7Å; H68-N72 VanDerWaalsContact O-N 3.08Å; L69-N72 PolarHBondContact O-N 3.34Å; E70-N72 PolarHBondContact O-N 2.8Å; N72-F74 VanDerWaalsContact C-N 3.33Å; N72-Y75 PolarHBondContact O-N 2.85Å; N72-L76 VanDerWaalsContact O-CB 3.23Å; N72-L76 WeakPolarHBondContact O-CB 3.13Å; N72-L76 PolarHBondContact O-N 3.28Å |
| 73 | Y | 39 | Very low | 37.7 | Very low | 45 Ų | 45 | 88.4 Ų | 88.4 | 18% | 0.176 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 174 | -100.2 | -82.9 | 0 | 0 | 0 | 111.7 | L69 E70 Q71 L76 T77 F264 I268 | L69-Y73 WeakPolarHBondContact O-CB 3.21Å; L69-Y73 WeakPolarHBondContact O-CD2 3.5Å; L69-Y73 PolarHBondContact O-N 2.88Å; E70-Y73 PolarHBondContact O-N 3.12Å; Q71-Y73 VanDerWaalsContact C-N 3.33Å; Q71-Y73 PolarHBondContact O-N 3.34Å; Y73-L76 PolarHBondContact O-N 3.29Å; Y73-T77 WeakPolarHBondContact O-CB 3.46Å; Y73-T77 WeakPolarHBondContact O-CG2 3.43Å; Y73-T77 PolarHBondContact O-N 3.46Å; Y73-T77 PolarHBondContact O-OG1 2.94Å; Y73-F264 HydrophobicContact CD1-CB 4.29Å; Y73-F264 HydrophobicContact CD1-CG 4.49Å; Y73-F264 HydrophobicContact CE1-CB 3.54Å; Y73-F264 HydrophobicContact CE1-CD1 4.02Å; Y73-F264 AromaticContact CE1-CG 3.84Å; Y73-F264 HydrophobicContact CE1-CG 3.84Å; Y73-I268 HydrophobicContact CD1-CD1 4.07Å; Y73-I268 HydrophobicContact CD2-CD1 4.31Å; Y73-I268 HydrophobicContact CE1-CD1 3.38Å; Y73-I268 HydrophobicContact CE1-CG1 4.27Å; Y73-I268 HydrophobicContact CE2-CD1 3.67Å; Y73-I268 HydrophobicContact CG-CD1 4.5Å; Y73-I268 VanDerWaalsContact OH-CD1 3.27Å; Y73-I268 WeakPolarHBondContact OH-CD1 3.43Å |
| 74 | F | 37.4 | Very low | 37.6 | Very low | 132 Ų | 132 | 90.5 Ų | 90.5 | 58% | 0.579 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -67.1 | -40.1 | 176.5 | -176 | -100 | 0 | 0 | 0 | 112.8 | E70 Q71 N72 T77 N78 | E70-F74 VanDerWaalsContact O-CB 3.32Å; E70-F74 WeakPolarHBondContact O-CB 3.35Å; E70-F74 PolarHBondContact O-N 3.23Å; Q71-F74 WeakPolarHBondContact O-CB 3.33Å; Q71-F74 PolarHBondContact O-N 2.98Å; N72-F74 VanDerWaalsContact C-N 3.33Å; F74-T77 VanDerWaalsContact CA-OG1 3.3Å; F74-T77 WeakPolarHBondContact CA-OG1 3.44Å; F74-T77 PolarHBondContact O-OG1 3.28Å; F74-T77 VanDerWaalsContact O-OG1 3.04Å; F74-N78 WeakPolarHBondContact CD1-ND2 3.42Å; F74-N78 WeakPolarHBondContact CE1-ND2 3.43Å; F74-N78 WeakPolarHBondContact CZ-ND2 3.5Å; F74-N78 WeakPolarHBondContact O-CB 3.45Å; F74-N78 PolarHBondContact O-N 3.25Å; F74-N78 PolarHBondContact O-ND2 3.43Å |
| 75 | Y | 40.9 | Very low | 37.3 | Very low | 153 Ų | 153 | 90.7 Ų | 90.7 | 60% | 0.6 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68.8 | -39.3 | 174.1 | -80.1 | -71.5 | 0 | 0 | 0 | 111.9 | Q71 N72 N78 A79 | Q71-Y75 WeakPolarHBondContact O-CD2 3.48Å; Q71-Y75 PolarHBondContact O-N 2.56Å; N72-Y75 PolarHBondContact O-N 2.85Å; Y75-N78 PolarHBondContact O-N 2.99Å; Y75-A79 WeakPolarHBondContact O-CB 3.23Å; Y75-A79 PolarHBondContact O-N 3.37Å |
| 76 | L | 45.2 | Very low | 37.2 | Very low | 26 Ų | 26 | 86.9 Ų | 86.9 | 14% | 0.136 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.8 | -45 | 178.1 | -164.8 | 68.9 | 0 | 0 | 0 | 111.5 | N72 Y73 N78 A79 I80 I268 L279 T289 | N72-L76 VanDerWaalsContact O-CB 3.23Å; N72-L76 WeakPolarHBondContact O-CB 3.13Å; N72-L76 PolarHBondContact O-N 3.28Å; Y73-L76 PolarHBondContact O-N 3.29Å; L76-N78 PolarHBondContact O-N 2.94Å; L76-A79 WeakPolarHBondContact O-CB 3.35Å; L76-A79 PolarHBondContact O-N 3Å; L76-I80 HydrophobicContact CG-CD1 4.48Å; L76-I80 WeakPolarHBondContact O-CD1 3.34Å; L76-I80 WeakPolarHBondContact O-CG1 3.49Å; L76-I80 PolarHBondContact O-N 3.43Å; L76-I268 HydrophobicContact CD2-CD1 3.82Å; L76-L279 HydrophobicContact CD1-CD1 4.15Å; L76-L279 HydrophobicContact CD2-CD1 4.04Å; L76-L279 HydrophobicContact CD2-CD2 3.49Å; L76-L279 VanDerWaalsContact CD2-CD2 3.49Å; L76-L279 HydrophobicContact CD2-CG 4.09Å; L76-L279 HydrophobicContact CG-CD1 3.97Å; L76-L279 HydrophobicContact CG-CD2 4.33Å; L76-T289 HydrophobicContact CD1-CG2 3.6Å |
| 77 | T | 37 | Very low | 36.7 | Very low | 49 Ų | 49 | 87.3 Ų | 87.3 | 30% | 0.301 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.5 | -36.2 | 175.4 | 46.1 | 0 | 0 | 0 | 0 | 112.7 | Y73 F74 I80 K81 | Y73-T77 WeakPolarHBondContact O-CB 3.46Å; Y73-T77 WeakPolarHBondContact O-CG2 3.43Å; Y73-T77 PolarHBondContact O-N 3.46Å; Y73-T77 PolarHBondContact O-OG1 2.94Å; F74-T77 VanDerWaalsContact CA-OG1 3.3Å; F74-T77 WeakPolarHBondContact CA-OG1 3.44Å; F74-T77 PolarHBondContact O-OG1 3.28Å; F74-T77 VanDerWaalsContact O-OG1 3.04Å; T77-I80 PolarHBondContact O-N 3.02Å; T77-K81 PolarHBondContact O-N 3.3Å |
| 78 | N | 41.8 | Very low | 36.3 | Very low | 68 Ų | 68 | 90.3 Ų | 90.3 | 36% | 0.364 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.2 | -34.7 | 173 | -78.4 | -50.9 | 0 | 0 | 0 | 113 | F74 Y75 L76 I80 K81 L82 | F74-N78 WeakPolarHBondContact CD1-ND2 3.42Å; F74-N78 WeakPolarHBondContact CE1-ND2 3.43Å; F74-N78 WeakPolarHBondContact CZ-ND2 3.5Å; F74-N78 WeakPolarHBondContact O-CB 3.45Å; F74-N78 PolarHBondContact O-N 3.25Å; F74-N78 PolarHBondContact O-ND2 3.43Å; Y75-N78 PolarHBondContact O-N 2.99Å; L76-N78 PolarHBondContact O-N 2.94Å; N78-I80 VanDerWaalsContact C-N 3.28Å; N78-I80 PolarHBondContact O-N 2.81Å; N78-K81 PolarHBondContact O-N 3.04Å; N78-L82 PolarHBondContact O-N 2.78Å |
| 79 | A | 41.7 | Very low | 35.9 | Very low | 32 Ų | 32 | 87.8 Ų | 87.8 | 26% | 0.264 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y75 L76 S83 | Y75-A79 WeakPolarHBondContact O-CB 3.23Å; Y75-A79 PolarHBondContact O-N 3.37Å; L76-A79 WeakPolarHBondContact O-CB 3.35Å; L76-A79 PolarHBondContact O-N 3Å; A79-S83 PolarHBondContact O-OG 2.86Å |
| 80 | I | 40.9 | Very low | 35.3 | Very low | 30 Ų | 30 | 93.2 Ų | 93.2 | 15% | 0.154 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -70.1 | -42.9 | 175.3 | -63.9 | 163.7 | 0 | 0 | 0 | 111.7 | L76 T77 N78 L82 S83 L84 F264 L279 | L76-I80 HydrophobicContact CG-CD1 4.48Å; L76-I80 WeakPolarHBondContact O-CD1 3.34Å; L76-I80 WeakPolarHBondContact O-CG1 3.49Å; L76-I80 PolarHBondContact O-N 3.43Å; T77-I80 PolarHBondContact O-N 3.02Å; N78-I80 VanDerWaalsContact C-N 3.28Å; N78-I80 PolarHBondContact O-N 2.81Å; I80-L82 PolarHBondContact O-N 3.25Å; I80-S83 WeakPolarHBondContact CA-OG 3.46Å; I80-S83 PolarHBondContact O-N 2.96Å; I80-S83 VanDerWaalsContact O-N 3.08Å; I80-S83 PolarHBondContact O-OG 3.32Å; I80-L84 HydrophobicContact CG2-CD1 3.6Å; I80-L84 PolarHBondContact O-N 2.83Å; I80-F264 HydrophobicContact CD1-CZ 4.34Å; I80-L279 HydrophobicContact CD1-CD1 3.48Å; I80-L279 VanDerWaalsContact CD1-CD1 3.48Å; I80-L279 HydrophobicContact CG1-CD1 4.03Å |
| 81 | K | 36.7 | Very low | 34.9 | Very low | 173 Ų | 173 | 93 Ų | 93 | 75% | 0.752 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63 | -25.5 | 177.5 | -84.7 | -173.5 | 177.6 | 179.2 | 0 | 113.6 | T77 N78 | T77-K81 PolarHBondContact O-N 3.3Å; N78-K81 PolarHBondContact O-N 3.04Å |
| 82 | L | 34.8 | Very low | 34.5 | Very low | 111 Ų | 111 | 94.1 Ų | 94.1 | 58% | 0.581 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -7.1 | 176.7 | -135 | 80.5 | 0 | 0 | 0 | 113.8 | N78 I80 | N78-L82 PolarHBondContact O-N 2.78Å; I80-L82 PolarHBondContact O-N 3.25Å |
| 83 | S | 31.6 | Very low | 33.6 | Very low | 14 Ų | 14 | 98.1 Ų | 98.1 | 10% | 0.098 | 57% | 0.568 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -120.2 | -3.5 | -170.4 | 45.5 | 0 | 0 | 0 | 0 | 115.7 | A79 I80 | A79-S83 PolarHBondContact O-OG 2.86Å; I80-S83 WeakPolarHBondContact CA-OG 3.46Å; I80-S83 PolarHBondContact O-N 2.96Å; I80-S83 VanDerWaalsContact O-N 3.08Å; I80-S83 PolarHBondContact O-OG 3.32Å |
| 84 | L | 29.3 | Very low | 33 | Very low | 120 Ų | 120 | 102.4 Ų | 102.4 | 63% | 0.628 | 59% | 0.593 | S | S | * | * | trans | -119 | 112.4 | 174.3 | -80.2 | 134.7 | 0 | 0 | 0 | 111.4 | I80 | I80-L84 HydrophobicContact CG2-CD1 3.6Å; I80-L84 PolarHBondContact O-N 2.83Å | ||
| 85 | P | 26.5 | Very low | 32.4 | Very low | 117 Ų | 117 | 107.4 Ų | 107.4 | 76% | 0.76 | 61% | 0.61 | S | S | * | * | trans | -80.9 | 117.1 | 164.8 | 5.6 | 11.4 | 0 | 0 | 0 | 109.8 | ||||
| 86 | G | 30.9 | Very low | 31.7 | Very low | 72 Ų | 72 | 107.2 Ų | 107.2 | 74% | 0.742 | 61% | 0.614 | S | S | * | * | trans | 76.4 | 105.7 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 87 | A | 26.5 | Very low | 30.8 | Very low | 107 Ų | 107 | 111.8 Ų | 111.8 | 88% | 0.884 | 65% | 0.648 | S | S | * | * | trans | -138.9 | 63.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 88 | S | 26.7 | Very low | 30.3 | Very low | 117 Ų | 117 | 117 Ų | 117 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | trans | -77.7 | 123.7 | 154.1 | 47.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 89 | G | 28.9 | Very low | 29.6 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 69% | 0.69 | S | S | * | * | trans | -67.3 | 159.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 90 | Q | 25.4 | Very low | 29.1 | Very low | 192 Ų | 192 | 123.1 Ų | 123.1 | 90% | 0.897 | 72% | 0.716 | S | S | * | * | trans | -173.7 | 131.9 | 138.5 | -103.4 | 171.2 | 11.4 | 0 | 0 | 108.6 | ||||
| 91 | T | 30.4 | Very low | 28.4 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | -65.4 | 152 | 166.3 | 32.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 92 | P | 29.5 | Very low | 28 | Very low | 131 Ų | 131 | 121.9 Ų | 121.9 | 85% | 0.851 | 75% | 0.749 | S | S | * | * | -147.2 | 173.1 | 117.2 | 31.7 | -11.4 | 0 | 0 | 0 | 116.2 | |||||
| 93 | Q | 25.3 | Very low | 27.8 | Very low | 162 Ų | 162 | 122.4 Ų | 122.4 | 76% | 0.757 | 76% | 0.762 | S | S | * | * | trans | -77.3 | 155.8 | -162.6 | -76.9 | -83.8 | -7.3 | 0 | 0 | 117.6 | ||||
| 94 | L | 25.4 | Very low | 27.7 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 71% | 0.707 | 80% | 0.795 | S | S | * | * | trans | 9.3 | 127.9 | 142.6 | -90.3 | 152.6 | 0 | 0 | 0 | 119.8 | ||||
| 95 | Y | 26.1 | Very low | 27.8 | Very low | 236 Ų | 236 | 128 Ų | 128 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -145.2 | 141.6 | 142.9 | -111.2 | -87.6 | 0 | 0 | 0 | 111.9 | ||||
| 96 | H | 25.9 | Very low | 28.2 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 69% | 0.69 | 81% | 0.806 | S | S | * | * | trans | -99.7 | 148.5 | -173.9 | -157.4 | 90.1 | 0 | 0 | 0 | 109.6 | ||||
| 97 | S | 26.2 | Very low | 28.2 | Very low | 122 Ų | 122 | 129.5 Ų | 129.5 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -168.4 | 119.2 | 154.2 | -72.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 98 | Q | 26.7 | Very low | 28.5 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -66.2 | 166.8 | 149.9 | -65.9 | 168 | 1 | 0 | 0 | 108.4 | ||||
| 99 | T | 27.3 | Very low | 29.5 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | cis | -170.2 | 158.7 | 39.9 | -9.9 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 100 | A | 29.6 | Very low | 29.5 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | 168.6 | 155.5 | 85.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 101 | A | 27.1 | Very low | 30 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | -95.8 | 172.3 | -175 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 102 | G | 28 | Very low | 30.2 | Very low | 68 Ų | 68 | 128.3 Ų | 128.3 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | trans | 114.6 | 139.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 103 | S | 30.5 | Very low | 30.3 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | cis | -169.1 | 160.7 | -0.3 | 4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 104 | T | 29.4 | Very low | 30.7 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -46.7 | 171.3 | -178.8 | -37.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 105 | T | 32.5 | Very low | 31 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | trans | 105.2 | 135.1 | 154.6 | 77.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 106 | T | 33.6 | Very low | 31.2 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | cis | -162.1 | 165.6 | 14.3 | -32.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 107 | A | 31.9 | Very low | 31.7 | Very low | 80 Ų | 80 | 122.9 Ų | 122.9 | 66% | 0.661 | 80% | 0.8 | S | S | * | * | trans | -110.8 | 148.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 108 | L | 33.1 | Very low | 32.2 | Very low | 165 Ų | 165 | 122.7 Ų | 122.7 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 60.2 | 169 | 140.7 | -76.4 | 156 | 0 | 0 | 0 | 121.3 | ||||
| 109 | P | 47.7 | Very low | 32.9 | Very low | 121 Ų | 121 | 123.3 Ų | 123.3 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | cis | -138.1 | 175.5 | -27.2 | 32.4 | -12.8 | 0 | 0 | 0 | 115.3 | ||||
| 110 | G | 28.7 | Very low | 34 | Very low | 85 Ų | 85 | 119.6 Ų | 119.6 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | trans | 129.4 | 129.1 | 142.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 111 | G | 34.8 | Very low | 34.5 | Very low | 82 Ų | 82 | 121.2 Ų | 121.2 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | 150.4 | 75.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 112 | T | 34.4 | Very low | 35.1 | Very low | 148 Ų | 148 | 125 Ų | 125 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | trans | -64.7 | 136.2 | 164.9 | 29.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 113 | S | 33 | Very low | 36.4 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | trans | -155.6 | 129 | 135.2 | -164 | 0 | 0 | 0 | 0 | 111.1 | Y115 | S113-Y115 WeakPolarHBondContact OG-CE2 3.38Š| ||
| 114 | L | 32.8 | Very low | 37 | Very low | 144 Ų | 144 | 127.6 Ų | 127.6 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | trans | -59.5 | 157.4 | 162.3 | -65.5 | 149.3 | 0 | 0 | 0 | 109.3 | ||||
| 115 | Y | 32.1 | Very low | 37.7 | Very low | 200 Ų | 200 | 129.7 Ų | 129.7 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | 170.8 | 142.5 | 115.3 | -59.3 | -59.7 | 0 | 0 | 0 | 111.7 | S113 | S113-Y115 WeakPolarHBondContact OG-CE2 3.38Š| |||
| 116 | T | 31 | Very low | 38.5 | Very low | 132 Ų | 132 | 129.7 Ų | 129.7 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | 65.9 | 113.6 | 150.8 | 169.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 117 | T | 36.4 | Very low | 39.1 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -68.4 | 135.4 | 162.9 | 44.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 118 | S | 35.3 | Very low | 39.7 | Very low | 118 Ų | 118 | 129.2 Ų | 129.2 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -118.5 | 115.8 | 159.2 | 64.9 | 0 | 0 | 0 | 0 | 110 | G120 | S118-G120 PolarHBondContact O-N 3.22Š| ||
| 119 | I | 42.4 | Very low | 40.7 | Very low | 172 Ų | 172 | 127.3 Ų | 127.3 | 88% | 0.882 | 80% | 0.798 | S | S | * | * | trans | -78.6 | 114.2 | 175.6 | -61.2 | 170.7 | 0 | 0 | 0 | 107.9 | ||||
| 120 | G | 49.9 | Very low | 40.7 | Very low | 54 Ų | 54 | 127.1 Ų | 127.1 | 56% | 0.557 | 80% | 0.797 | S | S | * | * | trans | -103.9 | 149.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S118 | S118-G120 PolarHBondContact O-N 3.22Š| ||
| 121 | P | 40.1 | Very low | 41.6 | Very low | 131 Ų | 131 | 126.1 Ų | 126.1 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -71.1 | 136.4 | -174.9 | 27.1 | -31.2 | 0 | 0 | 0 | 112.1 | T123 | P121-T123 PolarHBondContact O-N 2.91Š| ||
| 122 | M | 40.3 | Very low | 42.6 | Very low | 189 Ų | 189 | 126 Ų | 126 | 93% | 0.931 | 77% | 0.773 | S | S | * | * | trans | -69.2 | 113.8 | -178 | -61.4 | -112.2 | -171 | 0 | 0 | 111.2 | ||||
| 123 | T | 54.2 | Low | 43.7 | Very low | 122 Ų | 122 | 126 Ų | 126 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -82.4 | 134.4 | 156.1 | 44.4 | 0 | 0 | 0 | 0 | 109.1 | P121 L125 | P121-T123 PolarHBondContact O-N 2.91Å; T123-L125 PolarHBondContact O-N 3.24Å; T123-L125 VanDerWaalsContact O-N 3.15Å | ||
| 124 | P | 43.3 | Very low | 44.8 | Very low | 122 Ų | 122 | 126.9 Ų | 126.9 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -64.2 | 117.9 | 178.8 | 24.6 | -31 | 0 | 0 | 0 | 110.1 | T126 | P124-T126 PolarHBondContact O-N 3.12Å; P124-T126 VanDerWaalsContact O-N 3.12Å | ||
| 125 | L | 44.8 | Very low | 46.3 | Very low | 171 Ų | 171 | 121.5 Ų | 121.5 | 90% | 0.895 | 74% | 0.743 | S | S | * | * | trans | -64.2 | 106.3 | 170.6 | -78.3 | 157.5 | 0 | 0 | 0 | 108.6 | T123 | T123-L125 PolarHBondContact O-N 3.24Å; T123-L125 VanDerWaalsContact O-N 3.15Å | ||
| 126 | T | 49.6 | Very low | 48.6 | Very low | 125 Ų | 125 | 115.4 Ų | 115.4 | 77% | 0.767 | 74% | 0.741 | S | S | * | * | trans | -56.3 | 133.4 | 159.4 | -16.5 | 0 | 0 | 0 | 0 | 107.8 | P124 A128 | P124-T126 PolarHBondContact O-N 3.12Å; P124-T126 VanDerWaalsContact O-N 3.12Å; T126-A128 PolarHBondContact O-N 3.49Å | ||
| 127 | P | 45.3 | Very low | 51.5 | Low | 114 Ų | 114 | 111.1 Ų | 111.1 | 74% | 0.74 | 71% | 0.713 | S | S | * | * | trans | -61.5 | 114.9 | 173.7 | -11.2 | 22.6 | 0 | 0 | 0 | 108 | T129 | P127-T129 VanDerWaalsContact C-N 3.34Å; P127-T129 PolarHBondContact O-N 2.96Å | ||
| 128 | A | 44.5 | Very low | 54.2 | Low | 96 Ų | 96 | 109.8 Ų | 109.8 | 79% | 0.793 | 71% | 0.705 | S | S | * | * | trans | -64.3 | 101.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | T126 P130 | T126-A128 PolarHBondContact O-N 3.49Å; A128-P130 WeakPolarHBondContact O-CD 3.47Å; A128-P130 VanDerWaalsContact O-N 3.15Å | ||
| 129 | T | 54.3 | Low | 57.1 | Low | 124 Ų | 124 | 104.5 Ų | 104.5 | 76% | 0.761 | 67% | 0.667 | S | S | * | * | trans | -48.8 | 121.2 | 162.8 | -54 | 0 | 0 | 0 | 0 | 106.6 | P127 G131 | P127-T129 VanDerWaalsContact C-N 3.34Å; P127-T129 PolarHBondContact O-N 2.96Å; T129-G131 PolarHBondContact O-N 3.44Å | ||
| 130 | P | 47.5 | Very low | 59.6 | Low | 117 Ų | 117 | 99.8 Ų | 99.8 | 76% | 0.76 | 65% | 0.647 | S | S | * | * | trans | -61.5 | 109.6 | 178 | 23 | -29.4 | 0 | 0 | 0 | 106.9 | A128 S132 | A128-P130 WeakPolarHBondContact O-CD 3.47Å; A128-P130 VanDerWaalsContact O-N 3.15Å; P130-S132 PolarHBondContact O-N 3.12Å | ||
| 131 | G | 47.8 | Very low | 61.8 | Low | 65 Ų | 65 | 98.2 Ų | 98.2 | 67% | 0.67 | 63% | 0.626 | S | S | * | * | trans | -51.7 | 135.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | T129 E133 | T129-G131 PolarHBondContact O-N 3.44Å; G131-E133 PolarHBondContact O-N 3.01Å | ||
| 132 | S | 56.5 | Low | 64.5 | Low | 80 Ų | 80 | 94.7 Ų | 94.7 | 56% | 0.559 | 60% | 0.598 | S | S | * | * | trans | -36.5 | 127.3 | 175.3 | 40.5 | 0 | 0 | 0 | 0 | 110.3 | P130 S134 | P130-S132 PolarHBondContact O-N 3.12Å; S132-S134 PolarHBondContact O-N 3.45Å | ||
| 133 | E | 56.2 | Low | 67.1 | Low | 148 Ų | 148 | 86 Ų | 86 | 69% | 0.692 | 56% | 0.555 | S | S | * | * | trans | -47.1 | 107.2 | 176.5 | -70.8 | -176.1 | 151.3 | 0 | 0 | 108.7 | G131 S135 K309 | G131-E133 PolarHBondContact O-N 3.01Å; E133-S135 PolarHBondContact O-N 3.47Å; E133-K309 IonicContact OE2-NZ 2.74Å; E133-K309 PolarHBondContact OE2-NZ 3.28Å | ||
| 134 | S | 57.4 | Low | 69.2 | Low | 112 Ų | 112 | 80.2 Ų | 80.2 | 78% | 0.783 | 52% | 0.52 | S | S | * | . | trans | -63.8 | 118.4 | -168.1 | 60.8 | 0 | 0 | 0 | 0 | 108.5 | S132 G136 | S132-S134 PolarHBondContact O-N 3.45Å; S134-G136 PolarHBondContact O-N 2.8Å | ||
| 135 | S | 63.4 | Low | 71.7 | Confident | 31 Ų | 31 | 75.9 Ų | 75.9 | 22% | 0.217 | 49% | 0.49 | C | S | . | . | trans | -55.5 | -21.5 | -175.6 | -40.5 | 0 | 0 | 0 | 0 | 113.8 | E133 I137 Y305 | E133-S135 PolarHBondContact O-N 3.47Å; S135-I137 WeakPolarHBondContact O-CG1 3.38Å; S135-I137 PolarHBondContact O-N 3.28Å; S135-Y305 VanDerWaalsContact CB-CE1 3.44Å; S135-Y305 WeakPolarHBondContact OG-CD1 3.32Å; S135-Y305 WeakPolarHBondContact OG-CD2 3.44Å; S135-Y305 WeakPolarHBondContact OG-CE1 3.5Å | ||
| 136 | G | 81.3 | Confident | 74.3 | Confident | 73 Ų | 73 | 67.7 Ų | 67.7 | 75% | 0.753 | 45% | 0.448 | S | S | * | . | trans | 64.7 | -4.3 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S134 | S134-G136 PolarHBondContact O-N 2.8Š| ||
| 137 | I | 91 | Very high | 76.6 | Confident | 41 Ų | 41 | 63.6 Ų | 63.6 | 21% | 0.21 | 42% | 0.422 | C | S | . | . | trans | -97.1 | 119.8 | -175.9 | -62.3 | 165.7 | 0 | 0 | 0 | 107.9 | S135 C238 F301 Y305 | S135-I137 WeakPolarHBondContact O-CG1 3.38Å; S135-I137 PolarHBondContact O-N 3.28Å; I137-C238 HydrophobicContact CG2-CB 4.08Å; I137-F301 HydrophobicContact CB-CE1 4.07Å; I137-F301 HydrophobicContact CB-CZ 4.05Å; I137-F301 HydrophobicContact CG2-CE1 4.1Å; I137-F301 HydrophobicContact CG2-CZ 3.79Å; I137-F301 WeakPolarHBondContact O-CE1 3.46Å; I137-Y305 HydrophobicContact CD1-CE2 3.96Å | ||
| 138 | V | 93.1 | Very high | 79.1 | Confident | 101 Ų | 101 | 58.3 Ų | 58.3 | 61% | 0.612 | 39% | 0.388 | S | S | * | . | trans | -106.3 | 122 | 178.4 | -177.3 | 0 | 0 | 0 | 0 | 109 | T140 Y298 | V138-T140 PolarHBondContact O-N 2.98Å; V138-Y298 HydrophobicContact CG1-CE1 4.03Å | ||
| 139 | P | 95.1 | Very high | 81.7 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 4% | 0.039 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 138.5 | 172.4 | -24.9 | 33.6 | 0 | 0 | 0 | 112.8 | C238 I297 Y298 F301 | P139-C238 HydrophobicContact CB-CB 4.32Å; P139-C238 HydrophobicContact CG-CB 4.34Å; P139-I297 HydrophobicContact CB-CG2 3.81Å; P139-I297 HydrophobicContact CG-CG2 4.39Å; P139-Y298 HydrophobicContact CB-CD1 4.27Å; P139-Y298 HydrophobicContact CB-CE1 4.25Å; P139-Y298 HydrophobicContact CG-CD1 4.15Å; P139-Y298 WeakPolarHBondContact O-CE1 3.32Å; P139-F301 HydrophobicContact CG-CB 3.55Å; P139-F301 HydrophobicContact CG-CD1 3.73Å; P139-F301 HydrophobicContact CG-CD2 4.12Å; P139-F301 HydrophobicContact CG-CE1 4.48Å; P139-F301 HydrophobicContact CG-CG 3.5Å |
| 140 | T | 96.1 | Very high | 83.7 | Confident | 73 Ų | 73 | 50 Ų | 50 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 135.9 | 178.6 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | V138 Q142 G236 S237 | V138-T140 PolarHBondContact O-N 2.98Å; T140-Q142 PolarHBondContact OG1-NE2 3.46Å; T140-G236 CarbonylContact O-C 3.48Å; T140-G236 VanDerWaalsContact O-CA 3.26Å; T140-G236 WeakPolarHBondContact O-CA 3.23Å; T140-S237 PolarHBondContact N-O 3.42Å; T140-S237 PolarHBondContact O-N 2.96Å; T140-S237 PolarHBondContact OG1-O 3.37Å; T140-S237 VanDerWaalsContact OG1-O 3.05Å |
| 141 | L | 96.1 | Very high | 86.1 | Confident | 22 Ų | 22 | 46.5 Ų | 46.5 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 130.4 | 173.8 | -67.7 | 178 | 0 | 0 | 0 | 109.9 | I144 K201 M234 R294 | L141-I144 HydrophobicContact CD1-CD1 4.31Å; L141-K201 WeakPolarHBondContact CB-O 3.27Å; L141-M234 HydrophobicContact CD1-CE 3.4Å; L141-M234 VanDerWaalsContact CD1-CE 3.4Å; L141-M234 HydrophobicContact CD2-CB 4.43Å; L141-M234 HydrophobicContact CD2-CE 3.79Å; L141-M234 HydrophobicContact CG-CE 4.26Å; L141-R294 HydrophobicContact CD1-CG 4.15Å |
| 142 | Q | 95.9 | Very high | 88.4 | Confident | 57 Ų | 57 | 44.4 Ų | 44.4 | 27% | 0.266 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | -32.4 | -178.1 | -63.1 | -59.4 | -25.2 | 0 | 0 | 112.3 | T140 V235 S237 | T140-Q142 PolarHBondContact OG1-NE2 3.46Å; Q142-V235 PolarHBondContact N-O 3.35Å; Q142-S237 WeakPolarHBondContact CG-OG 3.41Å; Q142-S237 PolarHBondContact NE2-OG 3.12Å |
| 143 | N | 96.1 | Very high | 90.3 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.037 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 145.4 | -178.6 | -176.5 | 30.8 | 0 | 0 | 0 | 111.5 | G199 A200 V235 | N143-G199 VanDerWaalsContact OD1-CA 3.26Å; N143-G199 WeakPolarHBondContact OD1-CA 3.24Å; N143-G199 PolarHBondContact OD1-N 2.82Å; N143-A200 CarbonylContact C-O 3.55Å; N143-A200 WeakPolarHBondContact CA-O 3.37Å; N143-V235 HydrophobicContact CB-CB 4.14Å; N143-V235 HydrophobicContact CB-CG2 4.28Å; N143-V235 PolarHBondContact N-O 3.33Å; N143-V235 PolarHBondContact O-N 2.95Å |
| 144 | I | 96.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 135.1 | 173.9 | -61.6 | -174.9 | 0 | 0 | 0 | 109.3 | L141 A200 E203 I231 M234 | L141-I144 HydrophobicContact CD1-CD1 4.31Å; I144-A200 PolarHBondContact N-O 3.35Å; I144-E203 HydrophobicContact CD1-CB 4.43Å; I144-E203 HydrophobicContact CD1-CG 3.97Å; I144-I231 HydrophobicContact CG2-CD1 3.82Å; I144-I231 HydrophobicContact CG2-CG2 4.07Å; I144-M234 HydrophobicContact CD1-CE 3.84Å; I144-M234 HydrophobicContact CG1-CE 4.32Å; I144-M234 HydrophobicContact CG1-CG 4.36Å |
| 145 | V | 97.4 | Very high | 94.1 | Very high | 30 Ų | 30 | 40.2 Ų | 40.2 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.5 | 173.1 | -178 | 0 | 0 | 0 | 0 | 107.9 | V196 C197 T198 Q232 N233 | V145-V196 HydrophobicContact CG1-CG1 3.97Å; V145-C197 WeakPolarHBondContact CA-O 3.41Å; V145-T198 HydrophobicContact CB-CG2 4.38Å; V145-T198 HydrophobicContact CG1-CG2 3.98Å; V145-T198 HydrophobicContact CG2-CG2 4Å; V145-Q232 HydrophobicContact CG1-CB 4.38Å; V145-Q232 PolarHBondContact O-N 3.34Å; V145-N233 HydrophobicContact CB-CB 4.09Å; V145-N233 HydrophobicContact CG2-CB 4.3Å; V145-N233 PolarHBondContact N-O 2.87Å; V145-N233 PolarHBondContact O-N 3.19Å |
| 146 | S | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 158.3 | 175.7 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | V196 C197 S206 K230 | S146-V196 CarbonylContact O-C 3.52Å; S146-V196 WeakPolarHBondContact O-CA 3.42Å; S146-C197 PolarHBondContact N-O 2.98Å; S146-C197 PolarHBondContact O-N 3.18Å; S146-S206 WeakPolarHBondContact CB-OG 3.21Å; S146-S206 PolarHBondContact OG-OG 3.4Å; S146-K230 CarbonylContact C-O 3.58Å; S146-K230 VanDerWaalsContact CA-O 3.24Å; S146-K230 WeakPolarHBondContact CA-O 3.37Å; S146-K230 WeakPolarHBondContact CB-O 3.35Å |
| 147 | T | 98.1 | Very high | 96.3 | Very high | 38 Ų | 38 | 42.4 Ų | 42.4 | 23% | 0.233 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 151.3 | 171.4 | 54 | 0 | 0 | 0 | 0 | 110 | M195 V196 F229 K230 Q232 | T147-M195 CarbonylContact C-O 3.42Å; T147-M195 VanDerWaalsContact CA-O 3.27Å; T147-M195 WeakPolarHBondContact CA-O 3.27Å; T147-V196 HydrophobicContact CG2-CG2 4.08Å; T147-F229 WeakPolarHBondContact O-CA 3.4Å; T147-K230 PolarHBondContact N-O 3.02Å; T147-K230 PolarHBondContact O-N 3.33Å; T147-Q232 HydrophobicContact CG2-CG 3.57Å; T147-Q232 PolarHBondContact OG1-NE2 2.69Å |
| 148 | V | 98.4 | Very high | 96.5 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.024 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 151.8 | 172.1 | 64.2 | 0 | 0 | 0 | 0 | 109.2 | M195 A210 F226 L227 F229 | V148-M195 HydrophobicContact CG1-CB 3.87Å; V148-M195 HydrophobicContact CG1-CE 3.19Å; V148-M195 HydrophobicContact CG1-CG 4.31Å; V148-M195 PolarHBondContact N-O 3.14Å; V148-M195 PolarHBondContact O-N 3.09Å; V148-A210 HydrophobicContact CG1-CB 4.29Å; V148-F226 HydrophobicContact CB-CE2 4.42Å; V148-F226 HydrophobicContact CG2-CD2 3.69Å; V148-F226 HydrophobicContact CG2-CE2 3.7Å; V148-F226 HydrophobicContact CG2-CG 4.14Å; V148-F226 HydrophobicContact CG2-CZ 4.15Å; V148-L227 WeakPolarHBondContact CG2-O 3.24Å; V148-F229 HydrophobicContact CB-CD2 4.33Å; V148-F229 HydrophobicContact CG2-CB 4.34Å |
| 149 | N | 98.2 | Very high | 96.6 | Very high | 45 Ų | 45 | 38.1 Ų | 38.1 | 24% | 0.241 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.9 | 175.3 | -173.9 | 1.6 | 0 | 0 | 0 | 109.9 | G151 L227 D228 | N149-G151 VanDerWaalsContact C-N 3.3Å; N149-G151 PolarHBondContact OD1-N 2.91Å; N149-L227 HydrophobicContact CB-CB 4.21Å; N149-L227 PolarHBondContact N-O 3.28Å; N149-L227 WeakPolarHBondContact O-CB 3.14Å; N149-L227 PolarHBondContact O-N 3.41Å; N149-D228 HydrophobicContact CB-CB 4.28Å |
| 150 | L | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -81.2 | -11.2 | 176.7 | -58.5 | 175.8 | 0 | 0 | 0 | 112.6 | C152 L154 I189 G193 M195 A214 V217 A224 K225 | L150-C152 PolarHBondContact O-N 3.38Å; L150-L154 HydrophobicContact CD1-CD1 3.63Å; L150-I189 HydrophobicContact CD1-CG2 4.31Å; L150-G193 WeakPolarHBondContact CB-O 3.36Å; L150-G193 WeakPolarHBondContact CG-O 3.22Å; L150-G193 PolarHBondContact N-O 2.88Å; L150-M195 HydrophobicContact CD1-CB 4.35Å; L150-M195 HydrophobicContact CD1-SD 4.5Å; L150-M195 HydrophobicContact CD2-CE 4.08Å; L150-M195 HydrophobicContact CG-CB 4.42Å; L150-A214 HydrophobicContact CD2-CB 3.68Å; L150-V217 HydrophobicContact CD1-CG1 4.43Å; L150-V217 HydrophobicContact CD1-CG2 4.28Å; L150-A224 HydrophobicContact CB-CB 4.13Å; L150-A224 HydrophobicContact CD2-CB 4.34Å; L150-A224 CarbonylContact O-C 3.54Å; L150-A224 WeakPolarHBondContact O-CA 3.17Å; L150-K225 VanDerWaalsContact CA-O 3.32Å; L150-K225 WeakPolarHBondContact CA-O 3.47Å; L150-K225 PolarHBondContact O-N 3.05Å | ||
| 151 | G | 96.1 | Very high | 96.5 | Very high | 44 Ų | 44 | 43 Ų | 43 | 45% | 0.454 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 71.6 | 11.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | N149 | N149-G151 VanDerWaalsContact C-N 3.3Å; N149-G151 PolarHBondContact OD1-N 2.91Å |
| 152 | C | 96.4 | Very high | 96.3 | Very high | 21 Ų | 21 | 49 Ų | 49 | 14% | 0.142 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -147.3 | 156.6 | 177 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | L150 G193 P223 | L150-C152 PolarHBondContact O-N 3.38Å; C152-G193 WeakPolarHBondContact O-CA 3.41Å; C152-P223 HydrophobicContact CB-CG 4.12Å |
| 153 | K | 96.9 | Very high | 96.1 | Very high | 168 Ų | 168 | 47.1 Ų | 47.1 | 73% | 0.73 | 25% | 0.247 | S | C | * | . | trans | -73.1 | 140.9 | 171.1 | -67.8 | -69.2 | -173.1 | 171.3 | 0 | 109.5 | S191 | K153-S191 WeakPolarHBondContact CA-O 3.31Å; K153-S191 WeakPolarHBondContact CD-O 3.28Å | ||
| 154 | L | 96.5 | Very high | 95.6 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | trans | -122 | 130.8 | -175.9 | -64 | 177.7 | 0 | 0 | 0 | 110.4 | L150 L156 I159 I189 S191 V217 F222 | L150-L154 HydrophobicContact CD1-CD1 3.63Å; L154-L156 HydrophobicContact CB-CD2 4.23Å; L154-L156 PolarHBondContact O-N 2.98Å; L154-I159 HydrophobicContact CB-CD1 3.9Å; L154-I159 HydrophobicContact CD1-CD1 4.1Å; L154-I159 HydrophobicContact CD2-CD1 4.34Å; L154-I159 HydrophobicContact CG-CD1 4.34Å; L154-I189 HydrophobicContact CD1-CG2 3.48Å; L154-I189 VanDerWaalsContact CD1-CG2 3.48Å; L154-S191 PolarHBondContact N-O 3.45Å; L154-V217 HydrophobicContact CD1-CG1 4.23Å; L154-V217 HydrophobicContact CD2-CG1 3.73Å; L154-F222 HydrophobicContact CD2-CB 3.68Å; L154-F222 HydrophobicContact CD2-CD1 3.67Å; L154-F222 HydrophobicContact CD2-CD2 4.24Å; L154-F222 HydrophobicContact CD2-CE1 4.37Å; L154-F222 HydrophobicContact CD2-CG 3.59Å | ||
| 155 | D | 96.8 | Very high | 95.3 | Very high | 73 Ų | 73 | 63.7 Ų | 63.7 | 39% | 0.39 | 32% | 0.317 | S | S | . | . | trans | -82.2 | 103 | 166.4 | 177.2 | 27.9 | 0 | 0 | 0 | 109.8 | K157 T158 I159 F222 | D155-K157 VanDerWaalsContact C-N 3.25Å; D155-K157 PolarHBondContact O-N 2.73Å; D155-K157 PolarHBondContact OD1-N 3.43Å; D155-T158 PolarHBondContact O-N 3.01Å; D155-T158 VanDerWaalsContact OD2-CB 3.23Å; D155-T158 WeakPolarHBondContact OD2-CB 3.49Å; D155-T158 PolarHBondContact OD2-N 3.31Å; D155-T158 PolarHBondContact OD2-OG1 2.81Å; D155-I159 WeakPolarHBondContact O-CG1 3.27Å; D155-I159 PolarHBondContact O-N 2.83Å; D155-I159 VanDerWaalsContact O-N 3.12Å; D155-F222 HydrophobicContact CB-CE1 4.47Å | ||
| 156 | L | 96.1 | Very high | 95.1 | Very high | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.5 | -30.3 | -177.3 | -62.4 | -166.6 | 0 | 0 | 0 | 112.8 | L154 I159 A160 Y168 A174 V176 I189 | L154-L156 HydrophobicContact CB-CD2 4.23Å; L154-L156 PolarHBondContact O-N 2.98Å; L156-I159 HydrophobicContact CD2-CD1 4.42Å; L156-I159 PolarHBondContact O-N 2.81Å; L156-A160 WeakPolarHBondContact O-CB 3.25Å; L156-A160 PolarHBondContact O-N 3.15Å; L156-Y168 HydrophobicContact CB-CD1 4.39Å; L156-Y168 HydrophobicContact CB-CD2 4.37Å; L156-Y168 HydrophobicContact CB-CE1 3.95Å; L156-Y168 HydrophobicContact CB-CE2 3.95Å; L156-Y168 HydrophobicContact CD1-CD2 4.47Å; L156-Y168 HydrophobicContact CD1-CE2 3.73Å; L156-A174 WeakPolarHBondContact CD1-O 3.3Å; L156-V176 HydrophobicContact CB-CG2 3.58Å; L156-V176 HydrophobicContact CD1-CG2 4.22Å; L156-V176 HydrophobicContact CD2-CG2 3.77Å; L156-V176 HydrophobicContact CG-CG2 4.02Å; L156-I189 HydrophobicContact CD2-CG2 4.39Å |
| 157 | K | 95.4 | Very high | 95 | Very high | 145 Ų | 145 | 68.6 Ų | 68.6 | 63% | 0.63 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.1 | -48.3 | 177.9 | -67.1 | 179.9 | -178.8 | 178.6 | 0 | 110.6 | D155 I159 A160 L161 Y168 | D155-K157 VanDerWaalsContact C-N 3.25Å; D155-K157 PolarHBondContact O-N 2.73Å; D155-K157 PolarHBondContact OD1-N 3.43Å; K157-I159 VanDerWaalsContact C-N 3.31Å; K157-I159 PolarHBondContact O-N 3.05Å; K157-A160 PolarHBondContact O-N 3.24Å; K157-L161 WeakPolarHBondContact O-CB 3.49Å; K157-L161 PolarHBondContact O-N 2.91Å; K157-Y168 HydrophobicContact CG-CD1 4.46Å; K157-Y168 HydrophobicContact CG-CE1 3.9Å |
| 158 | T | 94.9 | Very high | 94.9 | Very high | 53 Ų | 53 | 70 Ų | 70 | 33% | 0.325 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 175.6 | -65.7 | 0 | 0 | 0 | 0 | 111.9 | D155 L161 R162 F222 | D155-T158 PolarHBondContact O-N 3.01Å; D155-T158 VanDerWaalsContact OD2-CB 3.23Å; D155-T158 WeakPolarHBondContact OD2-CB 3.49Å; D155-T158 PolarHBondContact OD2-N 3.31Å; D155-T158 PolarHBondContact OD2-OG1 2.81Å; T158-L161 PolarHBondContact O-N 2.81Å; T158-R162 WeakPolarHBondContact O-CB 3.01Å; T158-R162 WeakPolarHBondContact O-CG 3.42Å; T158-R162 PolarHBondContact O-N 2.86Å; T158-R162 VanDerWaalsContact O-N 3.12Å; T158-F222 HydrophobicContact CG2-CE2 4.49Å; T158-F222 HydrophobicContact CG2-CZ 4.09Å |
| 159 | I | 95.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.9 | -49.2 | 176.4 | -67.2 | 172 | 0 | 0 | 0 | 110.8 | L154 D155 L156 K157 L161 R162 A163 V176 M178 L220 F222 | L154-I159 HydrophobicContact CB-CD1 3.9Å; L154-I159 HydrophobicContact CD1-CD1 4.1Å; L154-I159 HydrophobicContact CD2-CD1 4.34Å; L154-I159 HydrophobicContact CG-CD1 4.34Å; D155-I159 WeakPolarHBondContact O-CG1 3.27Å; D155-I159 PolarHBondContact O-N 2.83Å; D155-I159 VanDerWaalsContact O-N 3.12Å; L156-I159 HydrophobicContact CD2-CD1 4.42Å; L156-I159 PolarHBondContact O-N 2.81Å; K157-I159 VanDerWaalsContact C-N 3.31Å; K157-I159 PolarHBondContact O-N 3.05Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 2.82Å; I159-R162 PolarHBondContact O-N 2.87Å; I159-A163 WeakPolarHBondContact O-CB 3.45Å; I159-A163 PolarHBondContact O-N 3.11Å; I159-V176 HydrophobicContact CG2-CG1 4.2Å; I159-M178 HydrophobicContact CG2-CE 3.87Å; I159-L220 HydrophobicContact CB-CD1 4.4Å; I159-L220 HydrophobicContact CG1-CD1 4.21Å; I159-L220 HydrophobicContact CG2-CD1 4.07Å; I159-F222 HydrophobicContact CD1-CD2 4.44Å; I159-F222 HydrophobicContact CD1-CE2 4.06Å; I159-F222 HydrophobicContact CD1-CZ 4.41Å; I159-F222 HydrophobicContact CG1-CD2 4.2Å; I159-F222 HydrophobicContact CG1-CE2 3.46Å; I159-F222 VanDerWaalsContact CG1-CE2 3.46Å; I159-F222 HydrophobicContact CG1-CZ 3.91Å |
| 160 | A | 94.3 | Very high | 94.4 | Very high | 25 Ų | 25 | 75.4 Ų | 75.4 | 21% | 0.207 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.8 | -37.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L156 K157 Y168 | L156-A160 WeakPolarHBondContact O-CB 3.25Å; L156-A160 PolarHBondContact O-N 3.15Å; K157-A160 PolarHBondContact O-N 3.24Å; A160-Y168 HydrophobicContact CB-CD1 4.39Å; A160-Y168 HydrophobicContact CB-CG 4.35Å |
| 161 | L | 94 | Very high | 94.3 | Very high | 157 Ų | 157 | 85.1 Ų | 85.1 | 82% | 0.822 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -68.2 | -37.2 | 178.5 | -172 | 69.5 | 0 | 0 | 0 | 112.3 | K157 T158 I159 | K157-L161 WeakPolarHBondContact O-CB 3.49Å; K157-L161 PolarHBondContact O-N 2.91Å; T158-L161 PolarHBondContact O-N 2.81Å; I159-L161 VanDerWaalsContact C-N 3.33Å; I159-L161 PolarHBondContact O-N 2.82Å |
| 162 | R | 93.3 | Very high | 94.2 | Very high | 148 Ų | 148 | 92.1 Ų | 92.1 | 56% | 0.558 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -94.3 | -23.2 | -174.1 | -65.5 | -171.9 | 68.7 | -163 | 0.3 | 114.2 | T158 I159 L220 | T158-R162 WeakPolarHBondContact O-CB 3.01Å; T158-R162 WeakPolarHBondContact O-CG 3.42Å; T158-R162 PolarHBondContact O-N 2.86Å; T158-R162 VanDerWaalsContact O-N 3.12Å; I159-R162 PolarHBondContact O-N 2.87Å; R162-L220 HydrophobicContact CB-CD2 3.61Å; R162-L220 PolarHBondContact NH1-O 2.96Å |
| 163 | A | 91.3 | Very high | 94.1 | Very high | 16 Ų | 16 | 95.1 Ų | 95.1 | 13% | 0.132 | 44% | 0.442 | C | S | . | . | trans | -90.7 | 124.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | I159 N165 A166 M178 L220 | I159-A163 WeakPolarHBondContact O-CB 3.45Å; I159-A163 PolarHBondContact O-N 3.11Å; A163-N165 VanDerWaalsContact C-N 3.33Å; A163-N165 PolarHBondContact O-N 2.88Å; A163-A166 HydrophobicContact CB-CB 3.63Å; A163-M178 HydrophobicContact CB-CE 3.91Å; A163-L220 HydrophobicContact CB-CD1 4.46Å | ||
| 164 | R | 84.8 | Confident | 94 | Very high | 246 Ų | 246 | 90.1 Ų | 90.1 | 93% | 0.928 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -31.7 | -175.3 | -57.2 | -177.2 | -163 | 170.1 | 2.7 | 114.4 | ||
| 165 | N | 90.8 | Very high | 94 | Very high | 110 Ų | 110 | 89.7 Ų | 89.7 | 59% | 0.588 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118 | 46.8 | -175.7 | -60.9 | -35.5 | 0 | 0 | 0 | 110.7 | A163 M178 R179 | A163-N165 VanDerWaalsContact C-N 3.33Å; A163-N165 PolarHBondContact O-N 2.88Å; N165-M178 WeakPolarHBondContact O-CA 3.36Å; N165-R179 WeakPolarHBondContact CB-O 3.16Å; N165-R179 PolarHBondContact O-N 3.07Å; N165-R179 VanDerWaalsContact O-N 3.12Å |
| 166 | A | 94 | Very high | 94 | Very high | 19 Ų | 19 | 86.2 Ų | 86.2 | 16% | 0.157 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 133.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | A163 V176 I177 M178 | A163-A166 HydrophobicContact CB-CB 3.63Å; A166-V176 HydrophobicContact CB-CG1 3.83Å; A166-I177 CarbonylContact C-O 3.59Å; A166-I177 VanDerWaalsContact CA-O 3.27Å; A166-I177 WeakPolarHBondContact CA-O 3.48Å; A166-M178 HydrophobicContact CB-CE 4.35Å |
| 167 | E | 94.9 | Very high | 94.1 | Very high | 113 Ų | 113 | 87.1 Ų | 87.1 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 133.6 | 175.7 | -63.4 | 165.6 | -136.4 | 0 | 0 | 108.6 | I177 R179 | E167-I177 HydrophobicContact CB-CB 4.37Å; E167-I177 PolarHBondContact N-O 2.93Å; E167-I177 PolarHBondContact O-N 2.91Å; E167-R179 IonicContact OE1-NE 2.59Å |
| 168 | Y | 96.9 | Very high | 94.1 | Very high | 67 Ų | 67 | 80.5 Ų | 80.5 | 26% | 0.263 | 39% | 0.387 | S | S | . | . | trans | -142.3 | 120.3 | 176.1 | -178.2 | -126.9 | 0 | 0 | 0 | 110.9 | L156 K157 A160 P170 V176 | L156-Y168 HydrophobicContact CB-CD1 4.39Å; L156-Y168 HydrophobicContact CB-CD2 4.37Å; L156-Y168 HydrophobicContact CB-CE1 3.95Å; L156-Y168 HydrophobicContact CB-CE2 3.95Å; L156-Y168 HydrophobicContact CD1-CD2 4.47Å; L156-Y168 HydrophobicContact CD1-CE2 3.73Å; K157-Y168 HydrophobicContact CG-CD1 4.46Å; K157-Y168 HydrophobicContact CG-CE1 3.9Å; A160-Y168 HydrophobicContact CB-CD1 4.39Å; A160-Y168 HydrophobicContact CB-CG 4.35Å; Y168-P170 HydrophobicContact CE1-CB 4.33Å; Y168-P170 HydrophobicContact CE1-CG 4.11Å; Y168-P170 HydrophobicContact CE2-CB 4.28Å; Y168-V176 HydrophobicContact CD2-CG2 3.84Å; Y168-V176 HydrophobicContact CG-CG2 3.97Å | ||
| 169 | N | 94.3 | Very high | 94.2 | Very high | 87 Ų | 87 | 83.4 Ų | 83.4 | 47% | 0.465 | 39% | 0.392 | S | S | . | . | trans | -135.3 | 96.2 | 172.2 | -178.5 | -13 | 0 | 0 | 0 | 108.7 | K171 R172 F173 | N169-K171 PolarHBondContact O-N 2.81Å; N169-K171 VanDerWaalsContact O-N 3.15Å; N169-K171 WeakPolarHBondContact OD1-CB 3.35Å; N169-K171 PolarHBondContact OD1-N 2.9Å; N169-K171 VanDerWaalsContact OD1-N 3.14Å; N169-R172 HydrophobicContact CB-CB 4.11Å; N169-R172 PolarHBondContact O-N 2.87Å; N169-R172 PolarHBondContact OD1-N 3.17Å; N169-F173 PolarHBondContact O-N 2.88Å | ||
| 170 | P | 92.3 | Very high | 94.2 | Very high | 76 Ų | 76 | 85.1 Ų | 85.1 | 49% | 0.494 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.3 | -175.9 | 21.8 | -31.5 | 0 | 0 | 0 | 113.8 | Y168 R172 | Y168-P170 HydrophobicContact CE1-CB 4.33Å; Y168-P170 HydrophobicContact CE1-CG 4.11Å; Y168-P170 HydrophobicContact CE2-CB 4.28Å; P170-R172 VanDerWaalsContact C-N 3.32Å |
| 171 | K | 95 | Very high | 94.2 | Very high | 204 Ų | 204 | 94.8 Ų | 94.8 | 89% | 0.887 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -28.6 | 175 | -63.3 | -174.7 | 177.5 | -177.2 | 0 | 112.1 | N169 | N169-K171 PolarHBondContact O-N 2.81Å; N169-K171 VanDerWaalsContact O-N 3.15Å; N169-K171 WeakPolarHBondContact OD1-CB 3.35Å; N169-K171 PolarHBondContact OD1-N 2.9Å; N169-K171 VanDerWaalsContact OD1-N 3.14Å |
| 172 | R | 94.7 | Very high | 94.2 | Very high | 192 Ų | 192 | 93.7 Ų | 93.7 | 73% | 0.725 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -44.8 | 179.1 | -177.2 | 178.7 | -179.6 | -88.6 | -1.7 | 111.9 | N169 P170 | N169-R172 HydrophobicContact CB-CB 4.11Å; N169-R172 PolarHBondContact O-N 2.87Å; N169-R172 PolarHBondContact OD1-N 3.17Å; P170-R172 VanDerWaalsContact C-N 3.32Å |
| 173 | F | 94.6 | Very high | 94.3 | Very high | 83 Ų | 83 | 86.9 Ų | 86.9 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | trans | -157.5 | 137.6 | -174.7 | -165.7 | -125.9 | 0 | 0 | 0 | 111.6 | N169 A175 L188 F190 | N169-F173 PolarHBondContact O-N 2.88Å; F173-A175 HydrophobicContact CD1-CB 3.84Å; F173-A175 HydrophobicContact CE1-CB 3.57Å; F173-A175 HydrophobicContact CZ-CB 4.37Å; F173-A175 PolarHBondContact O-N 2.9Å; F173-A175 VanDerWaalsContact O-N 3.17Å; F173-L188 HydrophobicContact CE1-CD1 4.26Å; F173-L188 HydrophobicContact CE1-CD2 4.4Å; F173-F190 HydrophobicContact CZ-CE1 4.36Å; F173-F190 HydrophobicContact CZ-CZ 4.25Å | ||
| 174 | A | 93.7 | Very high | 94.5 | Very high | 63 Ų | 63 | 96.2 Ų | 96.2 | 52% | 0.521 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -78.1 | 5.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L156 | L156-A174 WeakPolarHBondContact CD1-O 3.3Š|
| 175 | A | 96.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 84.7 Ų | 84.7 | 2% | 0.017 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 152.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F173 L188 I189 F190 | F173-A175 HydrophobicContact CD1-CB 3.84Å; F173-A175 HydrophobicContact CE1-CB 3.57Å; F173-A175 HydrophobicContact CZ-CB 4.37Å; F173-A175 PolarHBondContact O-N 2.9Å; F173-A175 VanDerWaalsContact O-N 3.17Å; A175-L188 HydrophobicContact CB-CB 4.47Å; A175-I189 CarbonylContact C-O 3.59Å; A175-I189 VanDerWaalsContact CA-O 3.31Å; A175-I189 WeakPolarHBondContact CA-O 3.47Å; A175-I189 WeakPolarHBondContact CB-O 3.45Å; A175-F190 HydrophobicContact CB-CD1 3.79Å; A175-F190 HydrophobicContact CB-CD2 4.37Å; A175-F190 HydrophobicContact CB-CE1 3.76Å; A175-F190 HydrophobicContact CB-CE2 4.34Å; A175-F190 HydrophobicContact CB-CG 4.11Å; A175-F190 HydrophobicContact CB-CZ 4.04Å |
| 176 | V | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 131.3 | 169.5 | 177.1 | 0 | 0 | 0 | 0 | 108.6 | L156 I159 A166 Y168 L188 I189 | L156-V176 HydrophobicContact CB-CG2 3.58Å; L156-V176 HydrophobicContact CD1-CG2 4.22Å; L156-V176 HydrophobicContact CD2-CG2 3.77Å; L156-V176 HydrophobicContact CG-CG2 4.02Å; I159-V176 HydrophobicContact CG2-CG1 4.2Å; A166-V176 HydrophobicContact CB-CG1 3.83Å; Y168-V176 HydrophobicContact CD2-CG2 3.84Å; Y168-V176 HydrophobicContact CG-CG2 3.97Å; V176-L188 WeakPolarHBondContact O-CA 3.39Å; V176-I189 HydrophobicContact CB-CB 4.43Å; V176-I189 PolarHBondContact N-O 2.79Å; V176-I189 PolarHBondContact O-N 2.9Å |
| 177 | I | 97.4 | Very high | 95.6 | Very high | 23 Ų | 23 | 79.6 Ų | 79.6 | 12% | 0.118 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 115.1 | 173.1 | -54.7 | 176.7 | 0 | 0 | 0 | 107.2 | A166 E167 T186 A187 L188 | A166-I177 CarbonylContact C-O 3.59Å; A166-I177 VanDerWaalsContact CA-O 3.27Å; A166-I177 WeakPolarHBondContact CA-O 3.48Å; E167-I177 HydrophobicContact CB-CB 4.37Å; E167-I177 PolarHBondContact N-O 2.93Å; E167-I177 PolarHBondContact O-N 2.91Å; I177-T186 HydrophobicContact CG2-CG2 3.64Å; I177-A187 WeakPolarHBondContact CA-O 3.31Å; I177-L188 HydrophobicContact CB-CD2 4.45Å; I177-L188 HydrophobicContact CG1-CD2 3.89Å; I177-L188 HydrophobicContact CG2-CD2 4.34Å |
| 178 | M | 97.1 | Very high | 95.7 | Very high | 6 Ų | 6 | 76.2 Ų | 76.2 | 3% | 0.03 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 139.8 | 177.3 | -168.7 | -179.7 | -69.4 | 0 | 0 | 110 | I159 A163 N165 A166 T186 A187 I189 Y213 V216 | I159-M178 HydrophobicContact CG2-CE 3.87Å; A163-M178 HydrophobicContact CB-CE 3.91Å; N165-M178 WeakPolarHBondContact O-CA 3.36Å; A166-M178 HydrophobicContact CB-CE 4.35Å; M178-T186 CarbonylContact O-C 3.58Å; M178-T186 WeakPolarHBondContact O-CA 3.36Å; M178-A187 PolarHBondContact N-O 3.35Å; M178-A187 PolarHBondContact O-N 2.93Å; M178-I189 HydrophobicContact CB-CD1 4.36Å; M178-I189 HydrophobicContact CE-CD1 3.98Å; M178-I189 HydrophobicContact SD-CD1 4.41Å; M178-Y213 HydrophobicContact CB-CD1 4.25Å; M178-Y213 HydrophobicContact CB-CE1 4Å; M178-Y213 HydrophobicContact CG-CD1 4.04Å; M178-Y213 HydrophobicContact CG-CE1 3.85Å; M178-Y213 PolarHBondContact O-OH 2.66Å; M178-Y213 HydrophobicContact SD-CD1 3.71Å; M178-Y213 HydrophobicContact SD-CE1 4.13Å; M178-V216 HydrophobicContact CE-CG1 4.14Å; M178-V216 HydrophobicContact SD-CB 4.39Å; M178-V216 HydrophobicContact SD-CG1 3.93Å |
| 179 | R | 96.8 | Very high | 95.8 | Very high | 115 Ų | 115 | 73 Ų | 73 | 43% | 0.434 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 139.9 | -178.7 | -57.1 | -177.3 | -169.3 | -94.3 | 8.9 | 111.6 | N165 E167 T186 | N165-R179 WeakPolarHBondContact CB-O 3.16Å; N165-R179 PolarHBondContact O-N 3.07Å; N165-R179 VanDerWaalsContact O-N 3.12Å; E167-R179 IonicContact OE1-NE 2.59Å; R179-T186 HydrophobicContact CG-CG2 3.99Å; R179-T186 PolarHBondContact NH1-OG1 3.48Å |
| 180 | I | 95.7 | Very high | 95.9 | Very high | 35 Ų | 35 | 71.7 Ų | 71.7 | 18% | 0.179 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 152.8 | 170.8 | 70.4 | -173.2 | 0 | 0 | 0 | 110.1 | P183 R184 T185 A209 K212 Y213 | I180-P183 WeakPolarHBondContact CG1-O 3.32Å; I180-R184 WeakPolarHBondContact O-CA 3.36Å; I180-T185 WeakPolarHBondContact CG1-OG1 3.21Å; I180-T185 PolarHBondContact N-O 2.87Å; I180-T185 PolarHBondContact O-N 2.81Å; I180-A209 HydrophobicContact CD1-CB 4.29Å; I180-K212 HydrophobicContact CD1-CB 4.05Å; I180-K212 HydrophobicContact CD1-CD 4.13Å; I180-Y213 HydrophobicContact CD1-CD2 4.45Å; I180-Y213 HydrophobicContact CD1-CE1 4.43Å; I180-Y213 HydrophobicContact CD1-CE2 3.89Å; I180-Y213 HydrophobicContact CG1-CE1 4.4Å; I180-Y213 HydrophobicContact CG1-CE2 4.26Å; I180-Y213 WeakPolarHBondContact CG1-OH 3.18Å; I180-Y213 HydrophobicContact CG2-CD1 4.32Å; I180-Y213 HydrophobicContact CG2-CE1 3.68Å; I180-Y213 PolarHBondContact N-OH 3.42Å |
| 181 | R | 94.3 | Very high | 96.2 | Very high | 229 Ų | 229 | 71.1 Ų | 71.1 | 86% | 0.864 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -32.2 | -178.8 | -66.6 | -176.7 | -178.5 | 167.4 | -0.3 | 113.3 | P183 R184 | R181-P183 CarbonylContact O-C 3.42Å; R181-R184 WeakPolarHBondContact O-CA 3.48Å; R181-R184 WeakPolarHBondContact O-CB 3.44Å; R181-R184 PolarHBondContact O-N 3.18Å |
| 182 | E | 92.9 | Very high | 96.3 | Very high | 133 Ų | 133 | 63.7 Ų | 63.7 | 62% | 0.621 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.5 | 107.6 | -171.5 | -170.7 | 56.5 | -115.7 | 0 | 0 | 111.6 | K212 | E182-K212 WeakPolarHBondContact O-CD 3.36Å; E182-K212 PolarHBondContact O-NZ 2.82Å |
| 183 | P | 94.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.032 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -65 | 146.4 | -11.8 | -19.3 | 33.3 | 0 | 0 | 0 | 111.5 | I180 R181 T185 E205 L208 A209 | I180-P183 WeakPolarHBondContact CG1-O 3.32Å; R181-P183 CarbonylContact O-C 3.42Å; P183-T185 HydrophobicContact CB-CG2 4.13Å; P183-T185 PolarHBondContact O-N 2.91Å; P183-T185 PolarHBondContact O-OG1 2.86Å; P183-E205 HydrophobicContact CB-CB 4.27Å; P183-E205 HydrophobicContact CB-CG 4.35Å; P183-E205 HydrophobicContact CG-CB 4.12Å; P183-E205 HydrophobicContact CG-CG 4.18Å; P183-L208 HydrophobicContact CG-CD2 4.29Å; P183-A209 HydrophobicContact CG-CB 4.38Å |
| 184 | R | 96.3 | Very high | 96.5 | Very high | 212 Ų | 212 | 57.1 Ų | 57.1 | 80% | 0.8 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | 95.6 | -177.9 | -174.4 | 179.3 | 178.2 | 179.1 | -0.6 | 110.4 | I180 R181 | I180-R184 WeakPolarHBondContact O-CA 3.36Å; R181-R184 WeakPolarHBondContact O-CA 3.48Å; R181-R184 WeakPolarHBondContact O-CB 3.44Å; R181-R184 PolarHBondContact O-N 3.18Å |
| 185 | T | 97.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 3% | 0.025 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 165.8 | -170.2 | 53.1 | 0 | 0 | 0 | 0 | 110.6 | I180 P183 T198 A200 A209 Y213 | I180-T185 WeakPolarHBondContact CG1-OG1 3.21Å; I180-T185 PolarHBondContact N-O 2.87Å; I180-T185 PolarHBondContact O-N 2.81Å; P183-T185 HydrophobicContact CB-CG2 4.13Å; P183-T185 PolarHBondContact O-N 2.91Å; P183-T185 PolarHBondContact O-OG1 2.86Å; T185-T198 CarbonylContact C-O 3.35Å; T185-T198 VanDerWaalsContact CA-O 3.25Å; T185-T198 WeakPolarHBondContact CA-O 3.26Å; T185-T198 VanDerWaalsContact CB-O 3.27Å; T185-T198 WeakPolarHBondContact CB-O 3.47Å; T185-A200 HydrophobicContact CG2-CB 3.98Å; T185-A209 HydrophobicContact CG2-CB 3.79Å; T185-Y213 PolarHBondContact O-OH 3.36Å; T185-Y213 WeakPolarHBondContact OG1-CE2 3.18Å; T185-Y213 PolarHBondContact OG1-OH 3.38Å; T185-Y213 VanDerWaalsContact OG1-OH 3.12Å |
| 186 | T | 97.3 | Very high | 96.8 | Very high | 23 Ų | 23 | 55.5 Ų | 55.5 | 14% | 0.141 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 130 | 173.2 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | I177 M178 R179 T198 Y213 | I177-T186 HydrophobicContact CG2-CG2 3.64Å; M178-T186 CarbonylContact O-C 3.58Å; M178-T186 WeakPolarHBondContact O-CA 3.36Å; R179-T186 HydrophobicContact CG-CG2 3.99Å; R179-T186 PolarHBondContact NH1-OG1 3.48Å; T186-T198 PolarHBondContact N-O 2.83Å; T186-T198 PolarHBondContact O-N 3.5Å; T186-T198 PolarHBondContact O-OG1 3.05Å; T186-T198 VanDerWaalsContact O-OG1 3.11Å; T186-Y213 WeakPolarHBondContact CA-OH 3.39Å; T186-Y213 PolarHBondContact N-OH 3.24Å |
| 187 | A | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 140.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I177 M178 I189 M195 V196 Y213 | I177-A187 WeakPolarHBondContact CA-O 3.31Å; M178-A187 PolarHBondContact N-O 3.35Å; M178-A187 PolarHBondContact O-N 2.93Å; A187-I189 HydrophobicContact CB-CG1 4.43Å; A187-M195 HydrophobicContact CB-CG 4.14Å; A187-M195 HydrophobicContact CB-SD 3.97Å; A187-V196 CarbonylContact C-O 3.58Å; A187-V196 WeakPolarHBondContact CA-O 3.42Å; A187-Y213 HydrophobicContact CB-CD1 3.59Å; A187-Y213 HydrophobicContact CB-CD2 3.61Å; A187-Y213 HydrophobicContact CB-CE1 3.57Å; A187-Y213 HydrophobicContact CB-CE2 3.63Å; A187-Y213 HydrophobicContact CB-CG 3.61Å |
| 188 | L | 97.8 | Very high | 96.8 | Very high | 41 Ų | 41 | 55.3 Ų | 55.3 | 22% | 0.215 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 113.5 | 168.5 | -50.1 | 178.2 | 0 | 0 | 0 | 107.5 | F173 A175 V176 I177 F190 M195 V196 | F173-L188 HydrophobicContact CE1-CD1 4.26Å; F173-L188 HydrophobicContact CE1-CD2 4.4Å; A175-L188 HydrophobicContact CB-CB 4.47Å; V176-L188 WeakPolarHBondContact O-CA 3.39Å; I177-L188 HydrophobicContact CB-CD2 4.45Å; I177-L188 HydrophobicContact CG1-CD2 3.89Å; I177-L188 HydrophobicContact CG2-CD2 4.34Å; L188-F190 HydrophobicContact CB-CE2 4.23Å; L188-M195 CarbonylContact O-C 3.5Å; L188-M195 VanDerWaalsContact O-CA 3.28Å; L188-M195 WeakPolarHBondContact O-CA 3.12Å; L188-V196 HydrophobicContact CB-CB 4.22Å; L188-V196 PolarHBondContact N-O 2.95Å; L188-V196 PolarHBondContact O-N 3.45Å |
| 189 | I | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 119.6 | -175.5 | -56.7 | 170.1 | 0 | 0 | 0 | 109 | L150 L154 L156 A175 V176 M178 A187 M195 V217 | L150-I189 HydrophobicContact CD1-CG2 4.31Å; L154-I189 HydrophobicContact CD1-CG2 3.48Å; L154-I189 VanDerWaalsContact CD1-CG2 3.48Å; L156-I189 HydrophobicContact CD2-CG2 4.39Å; A175-I189 CarbonylContact C-O 3.59Å; A175-I189 VanDerWaalsContact CA-O 3.31Å; A175-I189 WeakPolarHBondContact CA-O 3.47Å; A175-I189 WeakPolarHBondContact CB-O 3.45Å; V176-I189 HydrophobicContact CB-CB 4.43Å; V176-I189 PolarHBondContact N-O 2.79Å; V176-I189 PolarHBondContact O-N 2.9Å; M178-I189 HydrophobicContact CB-CD1 4.36Å; M178-I189 HydrophobicContact CE-CD1 3.98Å; M178-I189 HydrophobicContact SD-CD1 4.41Å; A187-I189 HydrophobicContact CB-CG1 4.43Å; I189-M195 HydrophobicContact CD1-SD 4.24Å; I189-M195 HydrophobicContact CG1-CG 3.93Å; I189-M195 HydrophobicContact CG1-SD 3.82Å; I189-V217 HydrophobicContact CD1-CG2 4.08Å |
| 190 | F | 97.8 | Very high | 96.6 | Very high | 60 Ų | 60 | 50.9 Ų | 50.9 | 26% | 0.263 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 153.5 | 180 | -64 | -92.9 | 0 | 0 | 0 | 111.1 | F173 A175 L188 S192 G193 K194 V196 | F173-F190 HydrophobicContact CZ-CE1 4.36Å; F173-F190 HydrophobicContact CZ-CZ 4.25Å; A175-F190 HydrophobicContact CB-CD1 3.79Å; A175-F190 HydrophobicContact CB-CD2 4.37Å; A175-F190 HydrophobicContact CB-CE1 3.76Å; A175-F190 HydrophobicContact CB-CE2 4.34Å; A175-F190 HydrophobicContact CB-CG 4.11Å; A175-F190 HydrophobicContact CB-CZ 4.04Å; L188-F190 HydrophobicContact CB-CE2 4.23Å; F190-S192 PolarHBondContact O-N 3.37Å; F190-G193 PolarHBondContact O-N 3.08Å; F190-K194 HydrophobicContact CD2-CB 4.43Å; F190-K194 WeakPolarHBondContact CD2-O 3.38Å; F190-K194 PolarHBondContact N-O 2.9Å; F190-V196 HydrophobicContact CE2-CG2 3.99Å |
| 191 | S | 97.2 | Very high | 96.6 | Very high | 63 Ų | 63 | 55.1 Ų | 55.1 | 44% | 0.441 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -21.1 | 176.9 | 58.3 | 0 | 0 | 0 | 0 | 113.1 | K153 L154 G193 | K153-S191 WeakPolarHBondContact CA-O 3.31Å; K153-S191 WeakPolarHBondContact CD-O 3.28Å; L154-S191 PolarHBondContact N-O 3.45Å; S191-G193 PolarHBondContact O-N 2.95Å |
| 192 | S | 97.1 | Very high | 96.7 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -13.2 | 173.8 | 61.9 | 0 | 0 | 0 | 0 | 114.5 | F190 K194 | F190-S192 PolarHBondContact O-N 3.37Å; S192-K194 VanDerWaalsContact C-N 3.31Å; S192-K194 PolarHBondContact OG-N 3.15Å |
| 193 | G | 95.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 88 | -6.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L150 C152 F190 S191 | L150-G193 WeakPolarHBondContact CB-O 3.36Å; L150-G193 WeakPolarHBondContact CG-O 3.22Å; L150-G193 PolarHBondContact N-O 2.88Å; C152-G193 WeakPolarHBondContact O-CA 3.41Å; F190-G193 PolarHBondContact O-N 3.08Å; S191-G193 PolarHBondContact O-N 2.95Å |
| 194 | K | 97.8 | Very high | 96.9 | Very high | 137 Ų | 137 | 46.4 Ų | 46.4 | 60% | 0.596 | 23% | 0.232 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 139.8 | 169.2 | -66.8 | -172.3 | 179.4 | -178 | 0 | 109.6 | F190 S192 | F190-K194 HydrophobicContact CD2-CB 4.43Å; F190-K194 WeakPolarHBondContact CD2-O 3.38Å; F190-K194 PolarHBondContact N-O 2.9Å; S192-K194 VanDerWaalsContact C-N 3.31Å; S192-K194 PolarHBondContact OG-N 3.15Å |
| 195 | M | 98.1 | Very high | 97 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 134.5 | 176.2 | -180 | 171.9 | 67 | 0 | 0 | 110.1 | T147 V148 L150 A187 L188 I189 A210 Y213 | T147-M195 CarbonylContact C-O 3.42Å; T147-M195 VanDerWaalsContact CA-O 3.27Å; T147-M195 WeakPolarHBondContact CA-O 3.27Å; V148-M195 HydrophobicContact CG1-CB 3.87Å; V148-M195 HydrophobicContact CG1-CE 3.19Å; V148-M195 HydrophobicContact CG1-CG 4.31Å; V148-M195 PolarHBondContact N-O 3.14Å; V148-M195 PolarHBondContact O-N 3.09Å; L150-M195 HydrophobicContact CD1-CB 4.35Å; L150-M195 HydrophobicContact CD1-SD 4.5Å; L150-M195 HydrophobicContact CD2-CE 4.08Å; L150-M195 HydrophobicContact CG-CB 4.42Å; A187-M195 HydrophobicContact CB-CG 4.14Å; A187-M195 HydrophobicContact CB-SD 3.97Å; L188-M195 CarbonylContact O-C 3.5Å; L188-M195 VanDerWaalsContact O-CA 3.28Å; L188-M195 WeakPolarHBondContact O-CA 3.12Å; I189-M195 HydrophobicContact CD1-SD 4.24Å; I189-M195 HydrophobicContact CG1-CG 3.93Å; I189-M195 HydrophobicContact CG1-SD 3.82Å; M195-A210 HydrophobicContact CE-CB 4.38Å; M195-A210 WeakPolarHBondContact CE-O 3.3Å; M195-Y213 WeakPolarHBondContact SD-CB 3.41Å; M195-Y213 HydrophobicContact SD-CG 4.16Å |
| 196 | V | 98.3 | Very high | 97 | Very high | 31 Ų | 31 | 39.5 Ų | 39.5 | 19% | 0.188 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 133.1 | 171.4 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | V145 S146 T147 A187 L188 F190 T198 | V145-V196 HydrophobicContact CG1-CG1 3.97Å; S146-V196 CarbonylContact O-C 3.52Å; S146-V196 WeakPolarHBondContact O-CA 3.42Å; T147-V196 HydrophobicContact CG2-CG2 4.08Å; A187-V196 CarbonylContact C-O 3.58Å; A187-V196 WeakPolarHBondContact CA-O 3.42Å; L188-V196 HydrophobicContact CB-CB 4.22Å; L188-V196 PolarHBondContact N-O 2.95Å; L188-V196 PolarHBondContact O-N 3.45Å; F190-V196 HydrophobicContact CE2-CG2 3.99Å; V196-T198 HydrophobicContact CG1-CG2 4.09Å |
| 197 | C | 97.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.1 | 176 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | V145 S146 A210 | V145-C197 WeakPolarHBondContact CA-O 3.41Å; S146-C197 PolarHBondContact N-O 2.98Å; S146-C197 PolarHBondContact O-N 3.18Å; C197-A210 HydrophobicContact CB-CB 4.37Å |
| 198 | T | 97.1 | Very high | 97.1 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 10% | 0.104 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 156.8 | -176 | 60.3 | 0 | 0 | 0 | 0 | 111.9 | V145 T185 T186 V196 | V145-T198 HydrophobicContact CB-CG2 4.38Å; V145-T198 HydrophobicContact CG1-CG2 3.98Å; V145-T198 HydrophobicContact CG2-CG2 4Å; T185-T198 CarbonylContact C-O 3.35Å; T185-T198 VanDerWaalsContact CA-O 3.25Å; T185-T198 WeakPolarHBondContact CA-O 3.26Å; T185-T198 VanDerWaalsContact CB-O 3.27Å; T185-T198 WeakPolarHBondContact CB-O 3.47Å; T186-T198 PolarHBondContact N-O 2.83Å; T186-T198 PolarHBondContact O-N 3.5Å; T186-T198 PolarHBondContact O-OG1 3.05Å; T186-T198 VanDerWaalsContact O-OG1 3.11Å; V196-T198 HydrophobicContact CG1-CG2 4.09Å |
| 199 | G | 93.8 | Very high | 97.1 | Very high | 27 Ų | 27 | 46.7 Ų | 46.7 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 98.5 | -3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | N143 | N143-G199 VanDerWaalsContact OD1-CA 3.26Å; N143-G199 WeakPolarHBondContact OD1-CA 3.24Å; N143-G199 PolarHBondContact OD1-N 2.82Å |
| 200 | A | 96.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 149.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111 | N143 I144 T185 E205 S206 | N143-A200 CarbonylContact C-O 3.55Å; N143-A200 WeakPolarHBondContact CA-O 3.37Å; I144-A200 PolarHBondContact N-O 3.35Å; T185-A200 HydrophobicContact CG2-CB 3.98Å; A200-E205 HydrophobicContact CB-CB 4.02Å; A200-S206 VanDerWaalsContact CB-CA 3.5Å |
| 201 | K | 94.6 | Very high | 97.1 | Very high | 124 Ų | 124 | 51.2 Ų | 51.2 | 54% | 0.539 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -98.9 | -14.2 | 179.6 | -65.1 | -175.7 | 177.7 | -175.9 | 0 | 113.5 | L141 E205 | L141-K201 WeakPolarHBondContact CB-O 3.27Å; K201-E205 PolarHBondContact N-OE2 2.83Å |
| 202 | S | 96.4 | Very high | 97.1 | Very high | 24 Ų | 24 | 51.9 Ų | 51.9 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -135.4 | 157.1 | 174.5 | 71.4 | 0 | 0 | 0 | 0 | 112.4 | E204 E205 S206 | S202-E204 PolarHBondContact O-N 3.17Å; S202-E205 PolarHBondContact O-N 2.82Å; S202-E205 VanDerWaalsContact OG-CB 3.31Å; S202-E205 WeakPolarHBondContact OG-CB 3.11Å; S202-E205 VanDerWaalsContact OG-CG 3.24Å; S202-E205 WeakPolarHBondContact OG-CG 3.26Å; S202-E205 PolarHBondContact OG-N 2.75Å; S202-E205 VanDerWaalsContact OG-N 3.09Å; S202-S206 WeakPolarHBondContact O-CB 3.46Å; S202-S206 PolarHBondContact O-N 2.82Å |
| 203 | E | 96 | Very high | 97.1 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 18% | 0.178 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.7 | -38.4 | -179.3 | -62.5 | 89.1 | 144.8 | 0 | 0 | 110.1 | I144 S206 R207 M234 R294 | I144-E203 HydrophobicContact CD1-CB 4.43Å; I144-E203 HydrophobicContact CD1-CG 3.97Å; E203-S206 PolarHBondContact O-N 3.13Å; E203-R207 WeakPolarHBondContact O-CB 3.46Å; E203-R207 PolarHBondContact O-N 2.89Å; E203-M234 VanDerWaalsContact CD-CE 3.46Å; E203-M234 HydrophobicContact CG-CE 3.92Å; E203-M234 WeakPolarHBondContact OE1-CE 3Å; E203-R294 IonicContact OE1-CZ 3.96Å; E203-R294 IonicContact OE1-NE 3.56Å; E203-R294 PolarHBondContact OE1-NE 3.3Å; E203-R294 VanDerWaalsContact OE1-NE 3.17Å; E203-R294 IonicContact OE1-NH2 3.63Å; E203-R294 IonicContact OE2-CZ 3.81Å; E203-R294 IonicContact OE2-NE 3.17Å; E203-R294 IonicContact OE2-NH2 2.69Å; E203-R294 PolarHBondContact OE2-NH2 3.14Å |
| 204 | E | 97.2 | Very high | 97.2 | Very high | 123 Ų | 123 | 49.8 Ų | 49.8 | 58% | 0.575 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.2 | -46.4 | 177 | -61.3 | 71.5 | -150.1 | 0 | 0 | 111.2 | S202 S206 R207 L208 | S202-E204 PolarHBondContact O-N 3.17Å; E204-S206 VanDerWaalsContact C-N 3.32Å; E204-S206 PolarHBondContact O-N 2.96Å; E204-R207 PolarHBondContact O-N 2.83Å; E204-L208 WeakPolarHBondContact O-CB 3.39Å; E204-L208 PolarHBondContact O-N 3.28Å |
| 205 | E | 97.3 | Very high | 97.2 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 33% | 0.327 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 174.7 | -81.2 | 178.8 | -177 | 0 | 0 | 111.3 | P183 A200 K201 S202 R207 L208 A209 | P183-E205 HydrophobicContact CB-CB 4.27Å; P183-E205 HydrophobicContact CB-CG 4.35Å; P183-E205 HydrophobicContact CG-CB 4.12Å; P183-E205 HydrophobicContact CG-CG 4.18Å; A200-E205 HydrophobicContact CB-CB 4.02Å; K201-E205 PolarHBondContact N-OE2 2.83Å; S202-E205 PolarHBondContact O-N 2.82Å; S202-E205 VanDerWaalsContact OG-CB 3.31Å; S202-E205 WeakPolarHBondContact OG-CB 3.11Å; S202-E205 VanDerWaalsContact OG-CG 3.24Å; S202-E205 WeakPolarHBondContact OG-CG 3.26Å; S202-E205 PolarHBondContact OG-N 2.75Å; S202-E205 VanDerWaalsContact OG-N 3.09Å; E205-R207 VanDerWaalsContact C-N 3.32Å; E205-R207 PolarHBondContact O-N 3.33Å; E205-L208 PolarHBondContact O-N 3.07Å; E205-A209 VanDerWaalsContact O-CB 3.3Å; E205-A209 WeakPolarHBondContact O-CB 3.31Å; E205-A209 PolarHBondContact O-N 3.18Å |
| 206 | S | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 178.2 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | S146 A200 S202 E203 E204 A210 | S146-S206 WeakPolarHBondContact CB-OG 3.21Å; S146-S206 PolarHBondContact OG-OG 3.4Å; A200-S206 VanDerWaalsContact CB-CA 3.5Å; S202-S206 WeakPolarHBondContact O-CB 3.46Å; S202-S206 PolarHBondContact O-N 2.82Å; E203-S206 PolarHBondContact O-N 3.13Å; E204-S206 VanDerWaalsContact C-N 3.32Å; E204-S206 PolarHBondContact O-N 2.96Å; S206-A210 WeakPolarHBondContact O-CB 3.44Å; S206-A210 PolarHBondContact O-N 2.74Å |
| 207 | R | 98 | Very high | 97 | Very high | 135 Ų | 135 | 51.2 Ų | 51.2 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.8 | -44.1 | 176 | -173.4 | -177.1 | -67.3 | -129.3 | 0.8 | 111.3 | E203 E204 E205 A210 R211 F226 F229 | E203-R207 WeakPolarHBondContact O-CB 3.46Å; E203-R207 PolarHBondContact O-N 2.89Å; E204-R207 PolarHBondContact O-N 2.83Å; E205-R207 VanDerWaalsContact C-N 3.32Å; E205-R207 PolarHBondContact O-N 3.33Å; R207-A210 PolarHBondContact O-N 3.09Å; R207-R211 WeakPolarHBondContact O-CG 3.42Å; R207-R211 PolarHBondContact O-N 3.12Å; R207-F226 HydrophobicContact CG-CZ 4.17Å; R207-F229 HydrophobicContact CB-CE1 3.97Å; R207-F229 HydrophobicContact CB-CE2 4.14Å; R207-F229 HydrophobicContact CB-CZ 3.68Å; R207-F229 HydrophobicContact CG-CD1 4.39Å; R207-F229 HydrophobicContact CG-CE1 4.18Å; R207-F229 HydrophobicContact CG-CE2 4.44Å; R207-F229 HydrophobicContact CG-CZ 4.21Å |
| 208 | L | 98.2 | Very high | 96.9 | Very high | 81 Ų | 81 | 54.5 Ų | 54.5 | 42% | 0.424 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 177.7 | 178.1 | 61.9 | 0 | 0 | 0 | 111.3 | P183 E204 E205 R211 K212 | P183-L208 HydrophobicContact CG-CD2 4.29Å; E204-L208 WeakPolarHBondContact O-CB 3.39Å; E204-L208 PolarHBondContact O-N 3.28Å; E205-L208 PolarHBondContact O-N 3.07Å; L208-R211 PolarHBondContact O-N 3.15Å; L208-K212 WeakPolarHBondContact O-CG 3.4Å; L208-K212 PolarHBondContact O-N 2.93Å |
| 209 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -49.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I180 P183 T185 E205 R211 K212 Y213 | I180-A209 HydrophobicContact CD1-CB 4.29Å; P183-A209 HydrophobicContact CG-CB 4.38Å; T185-A209 HydrophobicContact CG2-CB 3.79Å; E205-A209 VanDerWaalsContact O-CB 3.3Å; E205-A209 WeakPolarHBondContact O-CB 3.31Å; E205-A209 PolarHBondContact O-N 3.18Å; A209-R211 VanDerWaalsContact C-N 3.27Å; A209-R211 PolarHBondContact O-N 2.74Å; A209-K212 WeakPolarHBondContact O-CA 3.48Å; A209-K212 WeakPolarHBondContact O-CB 3.39Å; A209-K212 PolarHBondContact O-N 3.34Å; A209-Y213 HydrophobicContact CB-CE2 4.26Å; A209-Y213 WeakPolarHBondContact O-CD2 3.18Å; A209-Y213 PolarHBondContact O-N 3.1Å |
| 210 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.5 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V148 M195 C197 S206 R207 Y213 A214 F226 F229 | V148-A210 HydrophobicContact CG1-CB 4.29Å; M195-A210 HydrophobicContact CE-CB 4.38Å; M195-A210 WeakPolarHBondContact CE-O 3.3Å; C197-A210 HydrophobicContact CB-CB 4.37Å; S206-A210 WeakPolarHBondContact O-CB 3.44Å; S206-A210 PolarHBondContact O-N 2.74Å; R207-A210 PolarHBondContact O-N 3.09Å; A210-Y213 PolarHBondContact O-N 3.21Å; A210-A214 PolarHBondContact O-N 3.24Å; A210-F226 HydrophobicContact CB-CE2 3.8Å; A210-F226 HydrophobicContact CB-CZ 4.33Å; A210-F229 HydrophobicContact CB-CD2 4.19Å; A210-F229 HydrophobicContact CB-CE2 4.01Å |
| 211 | R | 98 | Very high | 96.9 | Very high | 154 Ų | 154 | 64 Ų | 64 | 58% | 0.581 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.8 | -40.4 | 174 | -71.7 | 179.4 | 71.4 | -174.3 | 3.4 | 112.5 | R207 L208 A209 A214 R215 F226 | R207-R211 WeakPolarHBondContact O-CG 3.42Å; R207-R211 PolarHBondContact O-N 3.12Å; L208-R211 PolarHBondContact O-N 3.15Å; A209-R211 VanDerWaalsContact C-N 3.27Å; A209-R211 PolarHBondContact O-N 2.74Å; R211-A214 PolarHBondContact O-N 2.93Å; R211-R215 WeakPolarHBondContact O-CB 3.25Å; R211-R215 PolarHBondContact O-N 3.39Å; R211-F226 HydrophobicContact CB-CE2 4.33Å; R211-F226 HydrophobicContact CG-CD1 4.45Å; R211-F226 HydrophobicContact CG-CD2 3.78Å; R211-F226 HydrophobicContact CG-CE1 4.2Å; R211-F226 HydrophobicContact CG-CE2 3.48Å; R211-F226 VanDerWaalsContact CG-CE2 3.48Å; R211-F226 HydrophobicContact CG-CG 4.25Å; R211-F226 HydrophobicContact CG-CZ 3.71Å |
| 212 | K | 97.6 | Very high | 97 | Very high | 78 Ų | 78 | 59.7 Ų | 59.7 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.2 | -44.4 | 175.3 | -72.6 | -176.5 | -177.8 | -174 | 0 | 111 | I180 E182 L208 A209 R215 V216 | I180-K212 HydrophobicContact CD1-CB 4.05Å; I180-K212 HydrophobicContact CD1-CD 4.13Å; E182-K212 WeakPolarHBondContact O-CD 3.36Å; E182-K212 PolarHBondContact O-NZ 2.82Å; L208-K212 WeakPolarHBondContact O-CG 3.4Å; L208-K212 PolarHBondContact O-N 2.93Å; A209-K212 WeakPolarHBondContact O-CA 3.48Å; A209-K212 WeakPolarHBondContact O-CB 3.39Å; A209-K212 PolarHBondContact O-N 3.34Å; K212-R215 WeakPolarHBondContact O-CB 3.44Å; K212-R215 PolarHBondContact O-N 2.93Å; K212-V216 WeakPolarHBondContact O-CG2 3.42Å; K212-V216 PolarHBondContact O-N 2.85Å |
| 213 | Y | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.7 | -47.2 | 175.2 | -70.8 | -66.7 | 0 | 0 | 0 | 112.4 | M178 I180 T185 T186 A187 M195 A209 A210 R215 V216 V217 | M178-Y213 HydrophobicContact CB-CD1 4.25Å; M178-Y213 HydrophobicContact CB-CE1 4Å; M178-Y213 HydrophobicContact CG-CD1 4.04Å; M178-Y213 HydrophobicContact CG-CE1 3.85Å; M178-Y213 PolarHBondContact O-OH 2.66Å; M178-Y213 HydrophobicContact SD-CD1 3.71Å; M178-Y213 HydrophobicContact SD-CE1 4.13Å; I180-Y213 HydrophobicContact CD1-CD2 4.45Å; I180-Y213 HydrophobicContact CD1-CE1 4.43Å; I180-Y213 HydrophobicContact CD1-CE2 3.89Å; I180-Y213 HydrophobicContact CG1-CE1 4.4Å; I180-Y213 HydrophobicContact CG1-CE2 4.26Å; I180-Y213 WeakPolarHBondContact CG1-OH 3.18Å; I180-Y213 HydrophobicContact CG2-CD1 4.32Å; I180-Y213 HydrophobicContact CG2-CE1 3.68Å; I180-Y213 PolarHBondContact N-OH 3.42Å; T185-Y213 PolarHBondContact O-OH 3.36Å; T185-Y213 WeakPolarHBondContact OG1-CE2 3.18Å; T185-Y213 PolarHBondContact OG1-OH 3.38Å; T185-Y213 VanDerWaalsContact OG1-OH 3.12Å; T186-Y213 WeakPolarHBondContact CA-OH 3.39Å; T186-Y213 PolarHBondContact N-OH 3.24Å; A187-Y213 HydrophobicContact CB-CD1 3.59Å; A187-Y213 HydrophobicContact CB-CD2 3.61Å; A187-Y213 HydrophobicContact CB-CE1 3.57Å; A187-Y213 HydrophobicContact CB-CE2 3.63Å; A187-Y213 HydrophobicContact CB-CG 3.61Å; M195-Y213 WeakPolarHBondContact SD-CB 3.41Å; M195-Y213 HydrophobicContact SD-CG 4.16Å; A209-Y213 HydrophobicContact CB-CE2 4.26Å; A209-Y213 WeakPolarHBondContact O-CD2 3.18Å; A209-Y213 PolarHBondContact O-N 3.1Å; A210-Y213 PolarHBondContact O-N 3.21Å; Y213-R215 PolarHBondContact O-N 3.45Å; Y213-V216 PolarHBondContact O-N 2.81Å; Y213-V216 VanDerWaalsContact O-N 3.11Å; Y213-V217 WeakPolarHBondContact O-CG2 3.37Å; Y213-V217 PolarHBondContact O-N 3.23Å |
| 214 | A | 97.4 | Very high | 97 | Very high | 4 Ų | 4 | 61.8 Ų | 61.8 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.4 | -39.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L150 A210 R211 V217 Q218 F226 | L150-A214 HydrophobicContact CD2-CB 3.68Å; A210-A214 PolarHBondContact O-N 3.24Å; R211-A214 PolarHBondContact O-N 2.93Å; A214-V217 PolarHBondContact O-N 3.07Å; A214-Q218 WeakPolarHBondContact O-CG 3.45Å; A214-Q218 PolarHBondContact O-N 2.81Å; A214-F226 HydrophobicContact CB-CD2 4.34Å |
| 215 | R | 96.7 | Very high | 97 | Very high | 145 Ų | 145 | 62 Ų | 62 | 55% | 0.547 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.5 | -37.2 | 176.8 | -173.3 | 56.5 | 171.8 | 169.3 | 1.9 | 113 | R211 K212 Y213 Q218 K219 | R211-R215 WeakPolarHBondContact O-CB 3.25Å; R211-R215 PolarHBondContact O-N 3.39Å; K212-R215 WeakPolarHBondContact O-CB 3.44Å; K212-R215 PolarHBondContact O-N 2.93Å; Y213-R215 PolarHBondContact O-N 3.45Å; R215-Q218 VanDerWaalsContact CD-OE1 3.29Å; R215-Q218 PolarHBondContact O-N 2.91Å; R215-K219 WeakPolarHBondContact O-CG 3.02Å; R215-K219 PolarHBondContact O-N 2.95Å |
| 216 | V | 95.6 | Very high | 97 | Very high | 53 Ų | 53 | 62 Ų | 62 | 32% | 0.321 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 173.5 | 172.6 | 0 | 0 | 0 | 0 | 109.9 | M178 K212 Y213 Q218 K219 L220 | M178-V216 HydrophobicContact CE-CG1 4.14Å; M178-V216 HydrophobicContact SD-CB 4.39Å; M178-V216 HydrophobicContact SD-CG1 3.93Å; K212-V216 WeakPolarHBondContact O-CG2 3.42Å; K212-V216 PolarHBondContact O-N 2.85Å; Y213-V216 PolarHBondContact O-N 2.81Å; Y213-V216 VanDerWaalsContact O-N 3.11Å; V216-Q218 VanDerWaalsContact C-N 3.32Å; V216-Q218 PolarHBondContact O-N 2.93Å; V216-K219 PolarHBondContact O-N 3.01Å; V216-K219 VanDerWaalsContact O-N 3.11Å; V216-L220 HydrophobicContact CG1-CD1 4.49Å; V216-L220 WeakPolarHBondContact O-CG 3.47Å; V216-L220 PolarHBondContact O-N 2.91Å; V216-L220 VanDerWaalsContact O-N 3.13Å |
| 217 | V | 96.4 | Very high | 97 | Very high | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 177.5 | 177 | 0 | 0 | 0 | 0 | 111.6 | L150 L154 I189 Y213 A214 K219 L220 F222 A224 | L150-V217 HydrophobicContact CD1-CG1 4.43Å; L150-V217 HydrophobicContact CD1-CG2 4.28Å; L154-V217 HydrophobicContact CD1-CG1 4.23Å; L154-V217 HydrophobicContact CD2-CG1 3.73Å; I189-V217 HydrophobicContact CD1-CG2 4.08Å; Y213-V217 WeakPolarHBondContact O-CG2 3.37Å; Y213-V217 PolarHBondContact O-N 3.23Å; A214-V217 PolarHBondContact O-N 3.07Å; V217-K219 PolarHBondContact O-N 2.93Å; V217-L220 WeakPolarHBondContact O-CB 3.42Å; V217-L220 PolarHBondContact O-N 3.23Å; V217-F222 HydrophobicContact CG1-CB 3.79Å; V217-F222 HydrophobicContact CG1-CD2 4.05Å; V217-F222 HydrophobicContact CG1-CG 4.22Å; V217-F222 PolarHBondContact O-N 2.88Å; V217-A224 HydrophobicContact CB-CB 4.21Å; V217-A224 HydrophobicContact CG1-CB 3.75Å |
| 218 | Q | 96.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 64.8 Ų | 64.8 | 33% | 0.332 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 172.6 | -72.4 | 175.2 | -6.1 | 0 | 0 | 112.7 | A214 R215 V216 L220 G221 F222 A224 | A214-Q218 WeakPolarHBondContact O-CG 3.45Å; A214-Q218 PolarHBondContact O-N 2.81Å; R215-Q218 VanDerWaalsContact CD-OE1 3.29Å; R215-Q218 PolarHBondContact O-N 2.91Å; V216-Q218 VanDerWaalsContact C-N 3.32Å; V216-Q218 PolarHBondContact O-N 2.93Å; Q218-L220 PolarHBondContact O-N 3.37Å; Q218-G221 PolarHBondContact O-N 3.37Å; Q218-F222 WeakPolarHBondContact CA-O 2.79Å; Q218-A224 HydrophobicContact CG-CB 4.03Å; Q218-A224 WeakPolarHBondContact CG-O 3.45Å; Q218-A224 PolarHBondContact NE2-O 3.11Å |
| 219 | K | 96.1 | Very high | 96.9 | Very high | 156 Ų | 156 | 62.7 Ų | 62.7 | 68% | 0.678 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.2 | -21.2 | 178.3 | -75.6 | -175.1 | 174.3 | -170.4 | 0 | 113.4 | R215 V216 V217 G221 | R215-K219 WeakPolarHBondContact O-CG 3.02Å; R215-K219 PolarHBondContact O-N 2.95Å; V216-K219 PolarHBondContact O-N 3.01Å; V216-K219 VanDerWaalsContact O-N 3.11Å; V217-K219 PolarHBondContact O-N 2.93Å; K219-G221 PolarHBondContact O-N 3.22Å |
| 220 | L | 95.1 | Very high | 96.9 | Very high | 22 Ų | 22 | 68.1 Ų | 68.1 | 12% | 0.115 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -4 | 172.7 | -64.9 | 174.4 | 0 | 0 | 0 | 112.9 | I159 R162 A163 V216 V217 Q218 F222 | I159-L220 HydrophobicContact CB-CD1 4.4Å; I159-L220 HydrophobicContact CG1-CD1 4.21Å; I159-L220 HydrophobicContact CG2-CD1 4.07Å; R162-L220 HydrophobicContact CB-CD2 3.61Å; R162-L220 PolarHBondContact NH1-O 2.96Å; A163-L220 HydrophobicContact CB-CD1 4.46Å; V216-L220 HydrophobicContact CG1-CD1 4.49Å; V216-L220 WeakPolarHBondContact O-CG 3.47Å; V216-L220 PolarHBondContact O-N 2.91Å; V216-L220 VanDerWaalsContact O-N 3.13Å; V217-L220 WeakPolarHBondContact O-CB 3.42Å; V217-L220 PolarHBondContact O-N 3.23Å; Q218-L220 PolarHBondContact O-N 3.37Å; L220-F222 HydrophobicContact CB-CD2 3.87Å; L220-F222 HydrophobicContact CB-CE2 3.96Å |
| 221 | G | 95.4 | Very high | 96.9 | Very high | 66 Ų | 66 | 69.3 Ų | 69.3 | 68% | 0.68 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98 | 5.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q218 K219 | Q218-G221 PolarHBondContact O-N 3.37Å; K219-G221 PolarHBondContact O-N 3.22Å |
| 222 | F | 96.5 | Very high | 96.8 | Very high | 34 Ų | 34 | 65.7 Ų | 65.7 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | trans | -86.2 | 140.2 | 175.7 | -60.8 | -81.1 | 0 | 0 | 0 | 110.8 | L154 D155 T158 I159 V217 Q218 L220 A224 | L154-F222 HydrophobicContact CD2-CB 3.68Å; L154-F222 HydrophobicContact CD2-CD1 3.67Å; L154-F222 HydrophobicContact CD2-CD2 4.24Å; L154-F222 HydrophobicContact CD2-CE1 4.37Å; L154-F222 HydrophobicContact CD2-CG 3.59Å; D155-F222 HydrophobicContact CB-CE1 4.47Å; T158-F222 HydrophobicContact CG2-CE2 4.49Å; T158-F222 HydrophobicContact CG2-CZ 4.09Å; I159-F222 HydrophobicContact CD1-CD2 4.44Å; I159-F222 HydrophobicContact CD1-CE2 4.06Å; I159-F222 HydrophobicContact CD1-CZ 4.41Å; I159-F222 HydrophobicContact CG1-CD2 4.2Å; I159-F222 HydrophobicContact CG1-CE2 3.46Å; I159-F222 VanDerWaalsContact CG1-CE2 3.46Å; I159-F222 HydrophobicContact CG1-CZ 3.91Å; V217-F222 HydrophobicContact CG1-CB 3.79Å; V217-F222 HydrophobicContact CG1-CD2 4.05Å; V217-F222 HydrophobicContact CG1-CG 4.22Å; V217-F222 PolarHBondContact O-N 2.88Å; Q218-F222 WeakPolarHBondContact CA-O 2.79Å; L220-F222 HydrophobicContact CB-CD2 3.87Å; L220-F222 HydrophobicContact CB-CE2 3.96Å; F222-A224 PolarHBondContact O-N 3.38Å | ||
| 223 | P | 96.7 | Very high | 96.8 | Very high | 100 Ų | 100 | 63.5 Ų | 63.5 | 65% | 0.649 | 32% | 0.322 | S | S | * | . | trans | -77.5 | 54.6 | 178.9 | 33.6 | -36.8 | 0 | 0 | 0 | 111.7 | C152 | C152-P223 HydrophobicContact CB-CG 4.12Š| ||
| 224 | A | 97.1 | Very high | 96.7 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | trans | -72.9 | 136.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L150 V217 Q218 F222 | L150-A224 HydrophobicContact CB-CB 4.13Å; L150-A224 HydrophobicContact CD2-CB 4.34Å; L150-A224 CarbonylContact O-C 3.54Å; L150-A224 WeakPolarHBondContact O-CA 3.17Å; V217-A224 HydrophobicContact CB-CB 4.21Å; V217-A224 HydrophobicContact CG1-CB 3.75Å; Q218-A224 HydrophobicContact CG-CB 4.03Å; Q218-A224 WeakPolarHBondContact CG-O 3.45Å; Q218-A224 PolarHBondContact NE2-O 3.11Å; F222-A224 PolarHBondContact O-N 3.38Å | ||
| 225 | K | 96.5 | Very high | 96.7 | Very high | 127 Ų | 127 | 63.6 Ų | 63.6 | 55% | 0.552 | 32% | 0.322 | S | S | * | . | trans | -112.1 | 170 | 175.4 | -63 | -179.1 | -179.4 | 179.1 | 0 | 109.8 | L150 L227 | L150-K225 VanDerWaalsContact CA-O 3.32Å; L150-K225 WeakPolarHBondContact CA-O 3.47Å; L150-K225 PolarHBondContact O-N 3.05Å; K225-L227 HydrophobicContact CB-CD1 4.06Å; K225-L227 HydrophobicContact CB-CD2 4.23Å; K225-L227 HydrophobicContact CB-CG 3.83Å; K225-L227 HydrophobicContact CD-CD1 4.31Å | ||
| 226 | F | 97.8 | Very high | 96.7 | Very high | 70 Ų | 70 | 56.7 Ų | 56.7 | 31% | 0.307 | 30% | 0.296 | S | S | . | . | trans | -114 | 87.1 | 174.9 | -171 | -93.4 | 0 | 0 | 0 | 108.4 | V148 R207 A210 R211 A214 F229 | V148-F226 HydrophobicContact CB-CE2 4.42Å; V148-F226 HydrophobicContact CG2-CD2 3.69Å; V148-F226 HydrophobicContact CG2-CE2 3.7Å; V148-F226 HydrophobicContact CG2-CG 4.14Å; V148-F226 HydrophobicContact CG2-CZ 4.15Å; R207-F226 HydrophobicContact CG-CZ 4.17Å; A210-F226 HydrophobicContact CB-CE2 3.8Å; A210-F226 HydrophobicContact CB-CZ 4.33Å; R211-F226 HydrophobicContact CB-CE2 4.33Å; R211-F226 HydrophobicContact CG-CD1 4.45Å; R211-F226 HydrophobicContact CG-CD2 3.78Å; R211-F226 HydrophobicContact CG-CE1 4.2Å; R211-F226 HydrophobicContact CG-CE2 3.48Å; R211-F226 VanDerWaalsContact CG-CE2 3.48Å; R211-F226 HydrophobicContact CG-CG 4.25Å; R211-F226 HydrophobicContact CG-CZ 3.71Å; A214-F226 HydrophobicContact CB-CD2 4.34Å; F226-F229 HydrophobicContact CE1-CB 3.58Å; F226-F229 HydrophobicContact CE1-CD2 4.32Å; F226-F229 HydrophobicContact CE1-CG 4.06Å; F226-F229 HydrophobicContact CE2-CD2 4.3Å; F226-F229 HydrophobicContact CZ-CB 3.69Å; F226-F229 AromaticContact CZ-CD2 3.56Å; F226-F229 HydrophobicContact CZ-CD2 3.56Å; F226-F229 HydrophobicContact CZ-CE2 4.43Å; F226-F229 AromaticContact CZ-CG 3.76Å; F226-F229 HydrophobicContact CZ-CG 3.76Å | ||
| 227 | L | 97.8 | Very high | 96.8 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 38% | 0.377 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 151.7 | -173.8 | -53.3 | 175.8 | 0 | 0 | 0 | 110.4 | V148 N149 K225 F229 | V148-L227 WeakPolarHBondContact CG2-O 3.24Å; N149-L227 HydrophobicContact CB-CB 4.21Å; N149-L227 PolarHBondContact N-O 3.28Å; N149-L227 WeakPolarHBondContact O-CB 3.14Å; N149-L227 PolarHBondContact O-N 3.41Å; K225-L227 HydrophobicContact CB-CD1 4.06Å; K225-L227 HydrophobicContact CB-CD2 4.23Å; K225-L227 HydrophobicContact CB-CG 3.83Å; K225-L227 HydrophobicContact CD-CD1 4.31Å; L227-F229 VanDerWaalsContact C-N 3.28Å; L227-F229 PolarHBondContact O-N 3.3Å; L227-F229 VanDerWaalsContact O-N 3.15Å |
| 228 | D | 96.4 | Very high | 96.8 | Very high | 122 Ų | 122 | 56.2 Ų | 56.2 | 65% | 0.652 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.7 | 39.9 | 170.5 | -50 | -35.5 | 0 | 0 | 0 | 115 | N149 K230 | N149-D228 HydrophobicContact CB-CB 4.28Å; D228-K230 PolarHBondContact O-N 3Å |
| 229 | F | 98.2 | Very high | 96.8 | Very high | 38 Ų | 38 | 54.8 Ų | 54.8 | 17% | 0.167 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 123.3 | 174.2 | 176.8 | -92.5 | 0 | 0 | 0 | 110.2 | T147 V148 R207 A210 F226 L227 I231 | T147-F229 WeakPolarHBondContact O-CA 3.4Å; V148-F229 HydrophobicContact CB-CD2 4.33Å; V148-F229 HydrophobicContact CG2-CB 4.34Å; R207-F229 HydrophobicContact CB-CE1 3.97Å; R207-F229 HydrophobicContact CB-CE2 4.14Å; R207-F229 HydrophobicContact CB-CZ 3.68Å; R207-F229 HydrophobicContact CG-CD1 4.39Å; R207-F229 HydrophobicContact CG-CE1 4.18Å; R207-F229 HydrophobicContact CG-CE2 4.44Å; R207-F229 HydrophobicContact CG-CZ 4.21Å; A210-F229 HydrophobicContact CB-CD2 4.19Å; A210-F229 HydrophobicContact CB-CE2 4.01Å; F226-F229 HydrophobicContact CE1-CB 3.58Å; F226-F229 HydrophobicContact CE1-CD2 4.32Å; F226-F229 HydrophobicContact CE1-CG 4.06Å; F226-F229 HydrophobicContact CE2-CD2 4.3Å; F226-F229 HydrophobicContact CZ-CB 3.69Å; F226-F229 AromaticContact CZ-CD2 3.56Å; F226-F229 HydrophobicContact CZ-CD2 3.56Å; F226-F229 HydrophobicContact CZ-CE2 4.43Å; F226-F229 AromaticContact CZ-CG 3.76Å; F226-F229 HydrophobicContact CZ-CG 3.76Å; L227-F229 VanDerWaalsContact C-N 3.28Å; L227-F229 PolarHBondContact O-N 3.3Å; L227-F229 VanDerWaalsContact O-N 3.15Å; F229-I231 HydrophobicContact CE1-CD1 3.85Å; F229-I231 HydrophobicContact CZ-CD1 3.7Å |
| 230 | K | 97.3 | Very high | 96.8 | Very high | 113 Ų | 113 | 47.4 Ų | 47.4 | 49% | 0.491 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 136.2 | -177.7 | -174.1 | 170.7 | -177.9 | 173.9 | 0 | 111.5 | S146 T147 D228 | S146-K230 CarbonylContact C-O 3.58Å; S146-K230 VanDerWaalsContact CA-O 3.24Å; S146-K230 WeakPolarHBondContact CA-O 3.37Å; S146-K230 WeakPolarHBondContact CB-O 3.35Å; T147-K230 PolarHBondContact N-O 3.02Å; T147-K230 PolarHBondContact O-N 3.33Å; D228-K230 PolarHBondContact O-N 3Å |
| 231 | I | 97.7 | Very high | 96.8 | Very high | 26 Ų | 26 | 53.8 Ų | 53.8 | 13% | 0.133 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 126.5 | 167.4 | -55.3 | -52.2 | 0 | 0 | 0 | 108.5 | I144 F229 M234 | I144-I231 HydrophobicContact CG2-CD1 3.82Å; I144-I231 HydrophobicContact CG2-CG2 4.07Å; F229-I231 HydrophobicContact CE1-CD1 3.85Å; F229-I231 HydrophobicContact CZ-CD1 3.7Å; I231-M234 HydrophobicContact CG2-CG 3.7Å; I231-M234 HydrophobicContact CG2-SD 4.27Å |
| 232 | Q | 96.6 | Very high | 96.8 | Very high | 77 Ų | 77 | 51.4 Ų | 51.4 | 36% | 0.36 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | -36 | -179.3 | -64.4 | -63.1 | -11 | 0 | 0 | 112 | V145 T147 | V145-Q232 HydrophobicContact CG1-CB 4.38Å; V145-Q232 PolarHBondContact O-N 3.34Å; T147-Q232 HydrophobicContact CG2-CG 3.57Å; T147-Q232 PolarHBondContact OG1-NE2 2.69Å |
| 233 | N | 96.5 | Very high | 96.9 | Very high | 32 Ų | 32 | 52.1 Ų | 52.1 | 17% | 0.171 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 147.4 | 178.9 | -172.5 | 45.5 | 0 | 0 | 0 | 111.1 | V145 T289 G290 A291 | V145-N233 HydrophobicContact CB-CB 4.09Å; V145-N233 HydrophobicContact CG2-CB 4.3Å; V145-N233 PolarHBondContact N-O 2.87Å; V145-N233 PolarHBondContact O-N 3.19Å; N233-T289 PolarHBondContact ND2-OG1 3.29Å; N233-G290 WeakPolarHBondContact OD1-CA 3.47Å; N233-G290 PolarHBondContact OD1-N 3.49Å; N233-A291 CarbonylContact C-O 3.47Å; N233-A291 VanDerWaalsContact CA-O 3.3Å; N233-A291 WeakPolarHBondContact CA-O 3.3Å |
| 234 | M | 97.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 138.5 | 171.6 | -57.5 | -180 | 76.1 | 0 | 0 | 108.4 | L141 I144 E203 I231 A291 V293 R294 | L141-M234 HydrophobicContact CD1-CE 3.4Å; L141-M234 VanDerWaalsContact CD1-CE 3.4Å; L141-M234 HydrophobicContact CD2-CB 4.43Å; L141-M234 HydrophobicContact CD2-CE 3.79Å; L141-M234 HydrophobicContact CG-CE 4.26Å; I144-M234 HydrophobicContact CD1-CE 3.84Å; I144-M234 HydrophobicContact CG1-CE 4.32Å; I144-M234 HydrophobicContact CG1-CG 4.36Å; E203-M234 VanDerWaalsContact CD-CE 3.46Å; E203-M234 HydrophobicContact CG-CE 3.92Å; E203-M234 WeakPolarHBondContact OE1-CE 3Å; I231-M234 HydrophobicContact CG2-CG 3.7Å; I231-M234 HydrophobicContact CG2-SD 4.27Å; M234-A291 HydrophobicContact CB-CB 4.23Å; M234-A291 PolarHBondContact N-O 3Å; M234-V293 VanDerWaalsContact SD-C 3.58Å; M234-R294 HydrophobicContact CE-CB 4.01Å; M234-R294 PolarHBondContact SD-N 2.87Å; M234-R294 VanDerWaalsContact SD-N 3.42Å |
| 235 | V | 96.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.03 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121.5 | 177.1 | -174.5 | 0 | 0 | 0 | 0 | 108.1 | Q142 N143 V287 L288 | Q142-V235 PolarHBondContact N-O 3.35Å; N143-V235 HydrophobicContact CB-CB 4.14Å; N143-V235 HydrophobicContact CB-CG2 4.28Å; N143-V235 PolarHBondContact N-O 3.33Å; N143-V235 PolarHBondContact O-N 2.95Å; V235-V287 HydrophobicContact CG1-CG1 3.85Å; V235-L288 CarbonylContact C-O 3.49Å; V235-L288 VanDerWaalsContact CA-O 3.31Å; V235-L288 WeakPolarHBondContact CA-O 3.32Å |
| 236 | G | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 155.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T140 V287 L288 | T140-G236 CarbonylContact O-C 3.48Å; T140-G236 VanDerWaalsContact O-CA 3.26Å; T140-G236 WeakPolarHBondContact O-CA 3.23Å; G236-V287 CarbonylContact O-C 3.6Å; G236-V287 WeakPolarHBondContact O-CA 3.45Å; G236-L288 PolarHBondContact N-O 2.92Å; G236-L288 PolarHBondContact O-N 3.24Å |
| 237 | S | 96.8 | Very high | 96.7 | Very high | 28 Ų | 28 | 48.8 Ų | 48.8 | 20% | 0.196 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 152.1 | 166.8 | 72.2 | 0 | 0 | 0 | 0 | 111.7 | T140 Q142 V286 | T140-S237 PolarHBondContact N-O 3.42Å; T140-S237 PolarHBondContact O-N 2.96Å; T140-S237 PolarHBondContact OG1-O 3.37Å; T140-S237 VanDerWaalsContact OG1-O 3.05Å; Q142-S237 WeakPolarHBondContact CG-OG 3.41Å; Q142-S237 PolarHBondContact NE2-OG 3.12Å; S237-V286 CarbonylContact C-O 3.58Å; S237-V286 VanDerWaalsContact CA-O 3.25Å; S237-V286 WeakPolarHBondContact CA-O 3.5Å |
| 238 | C | 96.9 | Very high | 96.6 | Very high | 15 Ų | 15 | 46.1 Ų | 46.1 | 10% | 0.101 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 171.1 | 174.2 | 54.3 | 0 | 0 | 0 | 0 | 110 | I137 P139 V286 F301 | I137-C238 HydrophobicContact CG2-CB 4.08Å; P139-C238 HydrophobicContact CB-CB 4.32Å; P139-C238 HydrophobicContact CG-CB 4.34Å; C238-V286 PolarHBondContact N-O 3.06Å; C238-V286 PolarHBondContact O-N 3.45Å; C238-F301 HydrophobicContact CB-CE2 4.21Å; C238-F301 WeakPolarHBondContact SG-CD2 3.39Å; C238-F301 WeakPolarHBondContact SG-CE2 3.44Å |
| 239 | D | 96.9 | Very high | 96.5 | Very high | 41 Ų | 41 | 40.3 Ų | 40.3 | 22% | 0.219 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 117.9 | 176.1 | 177.1 | 2.8 | 0 | 0 | 0 | 107.6 | K241 K285 | D239-K241 HydrophobicContact CB-CD 4.35Å; D239-K241 PolarHBondContact O-N 3.07Å; D239-K241 PolarHBondContact OD1-N 3.46Å; D239-K241 WeakPolarHBondContact OD2-CD 3.37Å; D239-K241 WeakPolarHBondContact OD2-CE 3.23Å; D239-K241 IonicContact OD2-NZ 3.62Å; D239-K241 PolarHBondContact OD2-NZ 3.04Å; D239-K285 HydrophobicContact CB-CG 4.44Å |
| 240 | V | 95.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | trans | -75.6 | -6.3 | -178.3 | -54.3 | 0 | 0 | 0 | 0 | 113.2 | F242 I244 G284 V286 F301 Y305 L308 | V240-F242 VanDerWaalsContact C-N 3.27Å; V240-F242 HydrophobicContact CB-CD1 4.27Å; V240-F242 HydrophobicContact CB-CE1 3.75Å; V240-F242 HydrophobicContact CB-CE2 4.39Å; V240-F242 HydrophobicContact CB-CZ 3.81Å; V240-F242 HydrophobicContact CG2-CD1 4.03Å; V240-F242 HydrophobicContact CG2-CD2 3.88Å; V240-F242 HydrophobicContact CG2-CE1 3.77Å; V240-F242 HydrophobicContact CG2-CE2 3.6Å; V240-F242 HydrophobicContact CG2-CG 4.09Å; V240-F242 HydrophobicContact CG2-CZ 3.54Å; V240-F242 WeakPolarHBondContact O-CD1 3.43Å; V240-F242 VanDerWaalsContact O-CE1 3.23Å; V240-F242 WeakPolarHBondContact O-CE1 3.3Å; V240-F242 PolarHBondContact O-N 2.88Å; V240-I244 HydrophobicContact CG2-CD1 3.93Å; V240-I244 HydrophobicContact CG2-CG1 4.34Å; V240-G284 WeakPolarHBondContact CG2-O 3.45Å; V240-G284 PolarHBondContact N-O 2.7Å; V240-V286 HydrophobicContact CG1-CG2 4.27Å; V240-F301 HydrophobicContact CG1-CE2 4.03Å; V240-F301 HydrophobicContact CG1-CZ 4.24Å; V240-Y305 HydrophobicContact CB-CE2 4.23Å; V240-Y305 HydrophobicContact CG1-CD2 4.06Å; V240-Y305 HydrophobicContact CG1-CE2 4.21Å; V240-L308 HydrophobicContact CG1-CD1 4.11Å | ||
| 241 | K | 95.2 | Very high | 96.3 | Very high | 156 Ų | 156 | 41.3 Ų | 41.3 | 68% | 0.678 | 21% | 0.207 | S | C | * | . | S | Bend | trans | 66.5 | 20.4 | 175.3 | -51 | -61.9 | 174.4 | -173.5 | 0 | 115.4 | D239 | D239-K241 HydrophobicContact CB-CD 4.35Å; D239-K241 PolarHBondContact O-N 3.07Å; D239-K241 PolarHBondContact OD1-N 3.46Å; D239-K241 WeakPolarHBondContact OD2-CD 3.37Å; D239-K241 WeakPolarHBondContact OD2-CE 3.23Å; D239-K241 IonicContact OD2-NZ 3.62Å; D239-K241 PolarHBondContact OD2-NZ 3.04Å |
| 242 | F | 95.8 | Very high | 96.2 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 7% | 0.07 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -148.6 | 149.8 | 171.3 | 55.3 | -99.8 | 0 | 0 | 0 | 111.4 | V240 I244 G284 Y305 L308 K309 R312 | V240-F242 VanDerWaalsContact C-N 3.27Å; V240-F242 HydrophobicContact CB-CD1 4.27Å; V240-F242 HydrophobicContact CB-CE1 3.75Å; V240-F242 HydrophobicContact CB-CE2 4.39Å; V240-F242 HydrophobicContact CB-CZ 3.81Å; V240-F242 HydrophobicContact CG2-CD1 4.03Å; V240-F242 HydrophobicContact CG2-CD2 3.88Å; V240-F242 HydrophobicContact CG2-CE1 3.77Å; V240-F242 HydrophobicContact CG2-CE2 3.6Å; V240-F242 HydrophobicContact CG2-CG 4.09Å; V240-F242 HydrophobicContact CG2-CZ 3.54Å; V240-F242 WeakPolarHBondContact O-CD1 3.43Å; V240-F242 VanDerWaalsContact O-CE1 3.23Å; V240-F242 WeakPolarHBondContact O-CE1 3.3Å; V240-F242 PolarHBondContact O-N 2.88Å; F242-I244 HydrophobicContact CD2-CG1 4.2Å; F242-I244 HydrophobicContact CE2-CG1 4.07Å; F242-G284 WeakPolarHBondContact O-CA 3.14Å; F242-Y305 HydrophobicContact CE1-CE2 4.28Å; F242-L308 WeakPolarHBondContact CE2-O 3.45Å; F242-K309 HydrophobicContact CZ-CB 4.16Å; F242-R312 HydrophobicContact CB-CG 3.98Å; F242-R312 HydrophobicContact CD2-CB 3.76Å; F242-R312 HydrophobicContact CD2-CG 3.72Å; F242-R312 HydrophobicContact CE2-CB 4.05Å; F242-R312 HydrophobicContact CE2-CG 4.47Å; F242-R312 HydrophobicContact CG-CB 4.43Å; F242-R312 HydrophobicContact CG-CG 3.97Å |
| 243 | P | 97.2 | Very high | 96.1 | Very high | 49 Ų | 49 | 42.7 Ų | 42.7 | 32% | 0.318 | 22% | 0.22 | S | C | . | . | trans | -71 | 145.1 | 177 | 28.4 | -34.2 | 0 | 0 | 0 | 111.9 | V282 R312 K313 | P243-V282 CarbonylContact C-O 3.58Å; P243-V282 VanDerWaalsContact CA-O 3.23Å; P243-V282 WeakPolarHBondContact CA-O 3.28Å; P243-R312 WeakPolarHBondContact O-CA 3.3Å; P243-K313 HydrophobicContact CB-CB 4.4Å; P243-K313 HydrophobicContact CG-CB 4.16Å; P243-K313 PolarHBondContact O-N 2.79Å | ||
| 244 | I | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | B | Isolated β-bridge | trans | -117 | 138.2 | -173.9 | -53.7 | 171 | 0 | 0 | 0 | 110.3 | V240 F242 L246 I280 V282 L308 F311 K313 | V240-I244 HydrophobicContact CG2-CD1 3.93Å; V240-I244 HydrophobicContact CG2-CG1 4.34Å; F242-I244 HydrophobicContact CD2-CG1 4.2Å; F242-I244 HydrophobicContact CE2-CG1 4.07Å; I244-L246 HydrophobicContact CB-CD2 4.3Å; I244-L246 HydrophobicContact CG2-CD2 3.99Å; I244-L246 PolarHBondContact O-N 3.4Å; I244-I280 HydrophobicContact CD1-CG2 3.66Å; I244-V282 PolarHBondContact N-O 2.92Å; I244-L308 HydrophobicContact CD1-CB 4.15Å; I244-L308 HydrophobicContact CD1-CD1 4.06Å; I244-L308 HydrophobicContact CD1-CD2 4.2Å; I244-L308 HydrophobicContact CD1-CG 4.34Å; I244-F311 HydrophobicContact CG2-CB 4.09Å; I244-K313 WeakPolarHBondContact O-CE 3.33Å |
| 245 | R | 96.8 | Very high | 96 | Very high | 136 Ų | 136 | 56.5 Ų | 56.5 | 51% | 0.513 | 28% | 0.283 | S | S | . | . | trans | -84.4 | 88.7 | 172.1 | -167.9 | -177.6 | -64.1 | -174.6 | -0.7 | 110.6 | E247 G248 L249 F311 K313 | R245-E247 VanDerWaalsContact C-N 3.29Å; R245-E247 PolarHBondContact O-N 3.43Å; R245-G248 PolarHBondContact O-N 2.91Å; R245-L249 PolarHBondContact O-N 3.3Å; R245-F311 PolarHBondContact N-O 2.87Å; R245-K313 VanDerWaalsContact CA-CE 3.48Å; R245-K313 HydrophobicContact CB-CG 3.9Å | ||
| 246 | L | 96.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.4 | -31.3 | -176.7 | -60.6 | -174.3 | 0 | 0 | 0 | 112.9 | I244 G248 L249 V250 Y259 L267 I280 V282 | I244-L246 HydrophobicContact CB-CD2 4.3Å; I244-L246 HydrophobicContact CG2-CD2 3.99Å; I244-L246 PolarHBondContact O-N 3.4Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 2.89Å; L246-L249 PolarHBondContact O-N 2.9Å; L246-V250 WeakPolarHBondContact O-CG1 3.3Å; L246-V250 PolarHBondContact O-N 2.59Å; L246-Y259 HydrophobicContact CB-CD1 4.2Å; L246-Y259 HydrophobicContact CB-CE1 3.97Å; L246-Y259 HydrophobicContact CB-CE2 4.37Å; L246-Y259 HydrophobicContact CB-CG 4.48Å; L246-Y259 HydrophobicContact CD1-CD2 4.14Å; L246-Y259 HydrophobicContact CD1-CE2 3.63Å; L246-L267 HydrophobicContact CB-CD1 4.26Å; L246-L267 HydrophobicContact CD1-CB 4.07Å; L246-L267 HydrophobicContact CD2-CB 4.06Å; L246-L267 HydrophobicContact CD2-CD1 4.43Å; L246-L267 HydrophobicContact CG-CB 4.46Å; L246-I280 HydrophobicContact CD2-CB 4.39Å; L246-I280 HydrophobicContact CD2-CG2 3.81Å; L246-V282 HydrophobicContact CD1-CG2 3.51Å; L246-V282 HydrophobicContact CG-CG2 3.98Å |
| 247 | E | 94.8 | Very high | 95.8 | Very high | 95 Ų | 95 | 59.8 Ų | 59.8 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 178.4 | -55.3 | 77.5 | -168.8 | 0 | 0 | 111.2 | R245 V250 L251 Y259 | R245-E247 VanDerWaalsContact C-N 3.29Å; R245-E247 PolarHBondContact O-N 3.43Å; E247-V250 VanDerWaalsContact O-CG1 3.31Å; E247-V250 WeakPolarHBondContact O-CG1 3.39Å; E247-L251 WeakPolarHBondContact O-CB 3.19Å; E247-L251 PolarHBondContact O-N 3.14Å; E247-Y259 HydrophobicContact CG-CE1 4.48Å |
| 248 | G | 94.6 | Very high | 95.8 | Very high | 17 Ų | 17 | 60.9 Ų | 60.9 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.6 | -41.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R245 L246 V250 L251 T252 F311 | R245-G248 PolarHBondContact O-N 2.91Å; L246-G248 VanDerWaalsContact C-N 3.31Å; L246-G248 PolarHBondContact O-N 2.89Å; G248-V250 PolarHBondContact O-N 3.28Å; G248-L251 PolarHBondContact O-N 2.83Å; G248-T252 PolarHBondContact O-N 3.15Å; G248-T252 PolarHBondContact O-OG1 2.87Å; G248-F311 VanDerWaalsContact C-CE1 3.4Å; G248-F311 WeakPolarHBondContact O-CE1 3.31Å |
| 249 | L | 95.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | -179.7 | -166.8 | 97.3 | 0 | 0 | 0 | 111.9 | R245 L246 L251 T252 H253 L267 Y269 I280 I307 L308 F311 | R245-L249 PolarHBondContact O-N 3.3Å; L246-L249 PolarHBondContact O-N 2.9Å; L249-L251 VanDerWaalsContact C-N 3.34Å; L249-T252 PolarHBondContact O-N 2.97Å; L249-H253 WeakPolarHBondContact O-CB 3.23Å; L249-H253 PolarHBondContact O-N 3.1Å; L249-L267 HydrophobicContact CB-CD1 4.18Å; L249-L267 HydrophobicContact CD2-CD1 3.52Å; L249-L267 HydrophobicContact CD2-CD2 3.58Å; L249-L267 HydrophobicContact CD2-CG 4.18Å; L249-L267 HydrophobicContact CG-CD1 4.35Å; L249-Y269 HydrophobicContact CD2-CD2 4.4Å; L249-I280 HydrophobicContact CD2-CD1 4.05Å; L249-I307 HydrophobicContact CD1-CG2 3.75Å; L249-L308 HydrophobicContact CD1-CD2 3.99Å; L249-F311 HydrophobicContact CB-CD2 4.46Å; L249-F311 HydrophobicContact CB-CG 4.42Å; L249-F311 HydrophobicContact CD1-CD2 3.46Å; L249-F311 VanDerWaalsContact CD1-CD2 3.46Å; L249-F311 HydrophobicContact CD1-CE2 3.83Å; L249-F311 HydrophobicContact CD1-CG 4.11Å; L249-F311 HydrophobicContact CG-CD2 4.5Å |
| 250 | V | 95.6 | Very high | 95.7 | Very high | 34 Ų | 34 | 65.3 Ų | 65.3 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.5 | -35.4 | 179.4 | 68.3 | 0 | 0 | 0 | 0 | 111.8 | L246 E247 G248 H253 Q254 L267 | L246-V250 WeakPolarHBondContact O-CG1 3.3Å; L246-V250 PolarHBondContact O-N 2.59Å; E247-V250 VanDerWaalsContact O-CG1 3.31Å; E247-V250 WeakPolarHBondContact O-CG1 3.39Å; G248-V250 PolarHBondContact O-N 3.28Å; V250-H253 CarbonylContact O-C 3.49Å; V250-Q254 WeakPolarHBondContact O-CA 3.38Å; V250-Q254 VanDerWaalsContact O-CB 3.3Å; V250-Q254 WeakPolarHBondContact O-CB 3.28Å; V250-Q254 PolarHBondContact O-N 3.36Å; V250-L267 HydrophobicContact CB-CD1 3.96Å |
| 251 | L | 95.1 | Very high | 95.6 | Very high | 137 Ų | 137 | 68.2 Ų | 68.2 | 72% | 0.717 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -65.1 | -44.4 | 177.2 | -175.2 | 66.3 | 0 | 0 | 0 | 111.3 | E247 G248 L249 | E247-L251 WeakPolarHBondContact O-CB 3.19Å; E247-L251 PolarHBondContact O-N 3.14Å; G248-L251 PolarHBondContact O-N 2.83Å; L249-L251 VanDerWaalsContact C-N 3.34Å |
| 252 | T | 95.7 | Very high | 95.5 | Very high | 93 Ų | 93 | 69.4 Ų | 69.4 | 57% | 0.571 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -77.1 | -36.8 | -180 | -53.4 | 0 | 0 | 0 | 0 | 112.8 | G248 L249 F311 | G248-T252 PolarHBondContact O-N 3.15Å; G248-T252 PolarHBondContact O-OG1 2.87Å; L249-T252 PolarHBondContact O-N 2.97Å; T252-F311 HydrophobicContact CG2-CZ 4.26Å |
| 253 | H | 95.1 | Very high | 95.4 | Very high | 40 Ų | 40 | 75.3 Ų | 75.3 | 19% | 0.185 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 40.2 | -177 | -63.2 | 112 | 0 | 0 | 0 | 112.9 | L249 V250 Q255 F256 S257 Y269 I307 | L249-H253 WeakPolarHBondContact O-CB 3.23Å; L249-H253 PolarHBondContact O-N 3.1Å; V250-H253 CarbonylContact O-C 3.49Å; H253-Q255 PolarHBondContact O-N 3.22Å; H253-Q255 VanDerWaalsContact O-N 3.16Å; H253-F256 PolarHBondContact O-N 2.84Å; H253-S257 WeakPolarHBondContact CB-OG 3.47Å; H253-S257 WeakPolarHBondContact O-CB 3.43Å; H253-S257 PolarHBondContact O-N 2.98Å; H253-S257 PolarHBondContact O-OG 2.91Å; H253-Y269 HydrophobicContact CB-CE2 3.92Å; H253-I307 WeakPolarHBondContact CE1-CG2 3.48Å |
| 254 | Q | 94.6 | Very high | 95.3 | Very high | 147 Ų | 147 | 74 Ų | 74 | 69% | 0.687 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -33 | -173.5 | -165.7 | 177 | 27.2 | 0 | 0 | 113.4 | V250 F256 | V250-Q254 WeakPolarHBondContact O-CA 3.38Å; V250-Q254 VanDerWaalsContact O-CB 3.3Å; V250-Q254 WeakPolarHBondContact O-CB 3.28Å; V250-Q254 PolarHBondContact O-N 3.36Å; Q254-F256 VanDerWaalsContact C-N 3.25Å; Q254-F256 PolarHBondContact O-N 3.33Å |
| 255 | Q | 95.4 | Very high | 95.1 | Very high | 176 Ų | 176 | 78.2 Ų | 78.2 | 82% | 0.822 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -27.3 | 179.4 | -66.4 | -176.8 | -20.7 | 0 | 0 | 113.5 | H253 | H253-Q255 PolarHBondContact O-N 3.22Å; H253-Q255 VanDerWaalsContact O-N 3.16Å |
| 256 | F | 95.3 | Very high | 95.1 | Very high | 68 Ų | 68 | 71.7 Ų | 71.7 | 30% | 0.298 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -15.1 | -177.1 | -51 | -56.9 | 0 | 0 | 0 | 112.7 | H253 Q254 Y269 R270 I272 | H253-F256 PolarHBondContact O-N 2.84Å; Q254-F256 VanDerWaalsContact C-N 3.25Å; Q254-F256 PolarHBondContact O-N 3.33Å; F256-Y269 HydrophobicContact CB-CD2 4.49Å; F256-Y269 HydrophobicContact CB-CE1 4.22Å; F256-Y269 HydrophobicContact CB-CE2 4.09Å; F256-Y269 CarbonylContact O-C 3.57Å; F256-Y269 WeakPolarHBondContact O-CA 3.46Å; F256-R270 PolarHBondContact O-N 3.08Å; F256-I272 HydrophobicContact CD1-CD1 4.19Å; F256-I272 HydrophobicContact CD1-CG1 4.41Å; F256-I272 HydrophobicContact CE1-CD1 3.52Å; F256-I272 HydrophobicContact CE1-CG1 4.17Å; F256-I272 HydrophobicContact CZ-CD1 4.39Å |
| 257 | S | 96.4 | Very high | 95.2 | Very high | 6 Ų | 6 | 71.7 Ų | 71.7 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142.8 | -170.1 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | H253 I268 Y269 | H253-S257 WeakPolarHBondContact CB-OG 3.47Å; H253-S257 WeakPolarHBondContact O-CB 3.43Å; H253-S257 PolarHBondContact O-N 2.98Å; H253-S257 PolarHBondContact O-OG 2.91Å; S257-I268 CarbonylContact C-O 3.57Å; S257-I268 VanDerWaalsContact CA-O 3.3Å; S257-I268 WeakPolarHBondContact CA-O 3.32Å; S257-Y269 VanDerWaalsContact OG-CD2 3.3Å; S257-Y269 WeakPolarHBondContact OG-CD2 3.46Å |
| 258 | S | 96.2 | Very high | 95.3 | Very high | 51 Ų | 51 | 67.2 Ų | 67.2 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 123.1 | 169.3 | -52 | 0 | 0 | 0 | 0 | 108.2 | I268 | S258-I268 PolarHBondContact N-O 2.91Å; S258-I268 PolarHBondContact O-N 3.3Å |
| 259 | Y | 96.9 | Very high | 95.5 | Very high | 37 Ų | 37 | 67.2 Ų | 67.2 | 15% | 0.145 | 35% | 0.346 | C | S | . | . | trans | -138.7 | 108.6 | -178.3 | 179.6 | -123.7 | 0 | 0 | 0 | 109.6 | L246 E247 P261 L267 | L246-Y259 HydrophobicContact CB-CD1 4.2Å; L246-Y259 HydrophobicContact CB-CE1 3.97Å; L246-Y259 HydrophobicContact CB-CE2 4.37Å; L246-Y259 HydrophobicContact CB-CG 4.48Å; L246-Y259 HydrophobicContact CD1-CD2 4.14Å; L246-Y259 HydrophobicContact CD1-CE2 3.63Å; E247-Y259 HydrophobicContact CG-CE1 4.48Å; Y259-P261 HydrophobicContact CE1-CB 4.47Å; Y259-P261 HydrophobicContact CE1-CG 4.21Å; Y259-P261 HydrophobicContact CE2-CB 4.16Å; Y259-L267 HydrophobicContact CD2-CB 3.97Å; Y259-L267 HydrophobicContact CG-CB 4.27Å; Y259-L267 HydrophobicContact CG-CD1 4.42Å | ||
| 260 | E | 94.4 | Very high | 95.6 | Very high | 112 Ų | 112 | 71.2 Ų | 71.2 | 52% | 0.523 | 36% | 0.361 | S | S | . | . | trans | -129.6 | 84.9 | 179.9 | -66.1 | -64.1 | 165.1 | 0 | 0 | 106.9 | E262 L263 F264 | E260-E262 PolarHBondContact O-N 3.04Å; E260-E262 VanDerWaalsContact O-N 3.14Å; E260-L263 HydrophobicContact CB-CB 4.14Å; E260-L263 HydrophobicContact CB-CD1 4.03Å; E260-L263 HydrophobicContact CB-CG 4.23Å; E260-L263 HydrophobicContact CG-CD1 4.43Å; E260-L263 PolarHBondContact O-N 3.1Å; E260-F264 PolarHBondContact O-N 3.38Å | ||
| 261 | P | 92.5 | Very high | 95.6 | Very high | 63 Ų | 63 | 70.5 Ų | 70.5 | 41% | 0.409 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.4 | -169.4 | 21.6 | -32.5 | 0 | 0 | 0 | 113.7 | Y259 L263 F264 | Y259-P261 HydrophobicContact CE1-CB 4.47Å; Y259-P261 HydrophobicContact CE1-CG 4.21Å; Y259-P261 HydrophobicContact CE2-CB 4.16Å; P261-L263 VanDerWaalsContact C-N 3.3Å; P261-L263 PolarHBondContact O-N 3.25Å; P261-F264 WeakPolarHBondContact CA-O 3.12Å |
| 262 | E | 94.4 | Very high | 95.5 | Very high | 181 Ų | 181 | 70.1 Ų | 70.1 | 85% | 0.846 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -30.2 | 174.2 | -60.8 | -57 | 145.1 | 0 | 0 | 112.7 | E260 | E260-E262 PolarHBondContact O-N 3.04Å; E260-E262 VanDerWaalsContact O-N 3.14Å |
| 263 | L | 94.1 | Very high | 95.3 | Very high | 140 Ų | 140 | 73.5 Ų | 73.5 | 73% | 0.733 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -40.2 | 178.3 | -63.9 | 179.2 | 0 | 0 | 0 | 111.9 | E260 P261 | E260-L263 HydrophobicContact CB-CB 4.14Å; E260-L263 HydrophobicContact CB-CD1 4.03Å; E260-L263 HydrophobicContact CB-CG 4.23Å; E260-L263 HydrophobicContact CG-CD1 4.43Å; E260-L263 PolarHBondContact O-N 3.1Å; P261-L263 VanDerWaalsContact C-N 3.3Å; P261-L263 PolarHBondContact O-N 3.25Å |
| 264 | F | 94.3 | Very high | 95.3 | Very high | 22 Ų | 22 | 72.2 Ų | 72.2 | 10% | 0.096 | 36% | 0.355 | C | S | . | . | trans | -154.8 | 130.7 | -177.9 | -179.3 | -110.4 | 0 | 0 | 0 | 111.6 | Y73 I80 E260 P261 G266 I268 L279 F281 | Y73-F264 HydrophobicContact CD1-CB 4.29Å; Y73-F264 HydrophobicContact CD1-CG 4.49Å; Y73-F264 HydrophobicContact CE1-CB 3.54Å; Y73-F264 HydrophobicContact CE1-CD1 4.02Å; Y73-F264 AromaticContact CE1-CG 3.84Å; Y73-F264 HydrophobicContact CE1-CG 3.84Å; I80-F264 HydrophobicContact CD1-CZ 4.34Å; E260-F264 PolarHBondContact O-N 3.38Å; P261-F264 WeakPolarHBondContact CA-O 3.12Å; F264-G266 WeakPolarHBondContact CD1-O 3.11Å; F264-G266 PolarHBondContact O-N 3.28Å; F264-G266 VanDerWaalsContact O-N 3.1Å; F264-I268 HydrophobicContact CD1-CG1 4.48Å; F264-L279 HydrophobicContact CD1-CD2 4.49Å; F264-L279 HydrophobicContact CE1-CD2 3.5Å; F264-L279 HydrophobicContact CZ-CD2 3.88Å; F264-F281 HydrophobicContact CZ-CE1 4.02Å; F264-F281 AromaticContact CZ-CZ 3.95Å; F264-F281 HydrophobicContact CZ-CZ 3.95Å | ||
| 265 | P | 94.1 | Very high | 95.3 | Very high | 87 Ų | 87 | 75.7 Ų | 75.7 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -73.2 | -4.3 | -171.7 | 28.8 | -38.1 | 0 | 0 | 0 | 115.4 | ||
| 266 | G | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 154.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | F264 I280 | F264-G266 WeakPolarHBondContact CD1-O 3.11Å; F264-G266 PolarHBondContact O-N 3.28Å; F264-G266 VanDerWaalsContact O-N 3.1Å; G266-I280 CarbonylContact C-O 3.54Å; G266-I280 WeakPolarHBondContact CA-O 3.38Å |
| 267 | L | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 132 | 169.9 | -178.3 | 151.5 | 0 | 0 | 0 | 109.7 | L246 L249 V250 Y259 Y269 L279 I280 | L246-L267 HydrophobicContact CB-CD1 4.26Å; L246-L267 HydrophobicContact CD1-CB 4.07Å; L246-L267 HydrophobicContact CD2-CB 4.06Å; L246-L267 HydrophobicContact CD2-CD1 4.43Å; L246-L267 HydrophobicContact CG-CB 4.46Å; L249-L267 HydrophobicContact CB-CD1 4.18Å; L249-L267 HydrophobicContact CD2-CD1 3.52Å; L249-L267 HydrophobicContact CD2-CD2 3.58Å; L249-L267 HydrophobicContact CD2-CG 4.18Å; L249-L267 HydrophobicContact CG-CD1 4.35Å; V250-L267 HydrophobicContact CB-CD1 3.96Å; Y259-L267 HydrophobicContact CD2-CB 3.97Å; Y259-L267 HydrophobicContact CG-CB 4.27Å; Y259-L267 HydrophobicContact CG-CD1 4.42Å; L267-Y269 HydrophobicContact CD2-CD2 4.38Å; L267-L279 WeakPolarHBondContact O-CA 3.28Å; L267-I280 HydrophobicContact CD2-CD1 4.06Å; L267-I280 PolarHBondContact N-O 3.31Å; L267-I280 PolarHBondContact O-N 3.2Å |
| 268 | I | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 118.1 | 171.7 | -55.6 | -163.1 | 0 | 0 | 0 | 108.8 | Y73 L76 S257 S258 F264 R270 V277 L278 L279 | Y73-I268 HydrophobicContact CD1-CD1 4.07Å; Y73-I268 HydrophobicContact CD2-CD1 4.31Å; Y73-I268 HydrophobicContact CE1-CD1 3.38Å; Y73-I268 HydrophobicContact CE1-CG1 4.27Å; Y73-I268 HydrophobicContact CE2-CD1 3.67Å; Y73-I268 HydrophobicContact CG-CD1 4.5Å; Y73-I268 VanDerWaalsContact OH-CD1 3.27Å; Y73-I268 WeakPolarHBondContact OH-CD1 3.43Å; L76-I268 HydrophobicContact CD2-CD1 3.82Å; S257-I268 CarbonylContact C-O 3.57Å; S257-I268 VanDerWaalsContact CA-O 3.3Å; S257-I268 WeakPolarHBondContact CA-O 3.32Å; S258-I268 PolarHBondContact N-O 2.91Å; S258-I268 PolarHBondContact O-N 3.3Å; F264-I268 HydrophobicContact CD1-CG1 4.48Å; I268-R270 HydrophobicContact CG2-CG 4.33Å; I268-V277 HydrophobicContact CG2-CG1 3.82Å; I268-L278 WeakPolarHBondContact CA-O 3.34Å; I268-L279 HydrophobicContact CD1-CD2 4.31Å; I268-L279 HydrophobicContact CG1-CD2 3.85Å |
| 269 | Y | 97.9 | Very high | 95.7 | Very high | 17 Ų | 17 | 63.1 Ų | 63.1 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 121.8 | 175.3 | -167.7 | -79.6 | 0 | 0 | 0 | 110 | L249 H253 F256 S257 L267 M271 V277 L278 I304 | L249-Y269 HydrophobicContact CD2-CD2 4.4Å; H253-Y269 HydrophobicContact CB-CE2 3.92Å; F256-Y269 HydrophobicContact CB-CD2 4.49Å; F256-Y269 HydrophobicContact CB-CE1 4.22Å; F256-Y269 HydrophobicContact CB-CE2 4.09Å; F256-Y269 CarbonylContact O-C 3.57Å; F256-Y269 WeakPolarHBondContact O-CA 3.46Å; S257-Y269 VanDerWaalsContact OG-CD2 3.3Å; S257-Y269 WeakPolarHBondContact OG-CD2 3.46Å; L267-Y269 HydrophobicContact CD2-CD2 4.38Å; Y269-M271 HydrophobicContact CD1-CB 4.34Å; Y269-M271 HydrophobicContact CE1-CB 4.25Å; Y269-M271 HydrophobicContact CE1-CE 4.36Å; Y269-V277 WeakPolarHBondContact O-CA 3.1Å; Y269-L278 HydrophobicContact CD1-CD1 4.03Å; Y269-L278 PolarHBondContact N-O 3.48Å; Y269-L278 PolarHBondContact O-N 2.82Å; Y269-I304 HydrophobicContact CD1-CD1 3.99Å; Y269-I304 HydrophobicContact CD2-CD1 4.09Å; Y269-I304 HydrophobicContact CE1-CD1 3.76Å; Y269-I304 HydrophobicContact CE2-CD1 3.86Å; Y269-I304 HydrophobicContact CG-CD1 4.15Å |
| 270 | R | 97.4 | Very high | 95.7 | Very high | 83 Ų | 83 | 61.3 Ų | 61.3 | 31% | 0.313 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 94.4 | -179.1 | -61.3 | -179.2 | -174.2 | -83.4 | -0.3 | 109.3 | F256 I268 | F256-R270 PolarHBondContact O-N 3.08Å; I268-R270 HydrophobicContact CG2-CG 4.33Å |
| 271 | M | 95.9 | Very high | 95.9 | Very high | 20 Ų | 20 | 58.3 Ų | 58.3 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 133.1 | 175.4 | -171.3 | 172.6 | -72.4 | 0 | 0 | 110.2 | Y269 P274 R275 I276 L278 A300 N303 I304 | Y269-M271 HydrophobicContact CD1-CB 4.34Å; Y269-M271 HydrophobicContact CE1-CB 4.25Å; Y269-M271 HydrophobicContact CE1-CE 4.36Å; M271-P274 CarbonylContact C-O 3.5Å; M271-P274 WeakPolarHBondContact CG-O 3.23Å; M271-R275 WeakPolarHBondContact O-CA 3.47Å; M271-I276 WeakPolarHBondContact CB-O 3.47Å; M271-I276 PolarHBondContact N-O 2.86Å; M271-I276 PolarHBondContact O-N 2.81Å; M271-L278 HydrophobicContact CB-CD1 3.9Å; M271-L278 HydrophobicContact CE-CD1 4.19Å; M271-A300 HydrophobicContact CE-CB 4.4Å; M271-A300 WeakPolarHBondContact CE-O 3.43Å; M271-A300 HydrophobicContact SD-CB 3.75Å; M271-N303 HydrophobicContact CE-CB 3.86Å; M271-N303 HydrophobicContact SD-CB 4.3Å; M271-I304 HydrophobicContact CE-CB 4.13Å; M271-I304 HydrophobicContact CE-CD1 4.5Å |
| 272 | I | 94.3 | Very high | 96.1 | Very high | 128 Ų | 128 | 57.7 Ų | 57.7 | 66% | 0.656 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -40.8 | 180 | -63.5 | 178.5 | 0 | 0 | 0 | 110.9 | F256 P274 R275 | F256-I272 HydrophobicContact CD1-CD1 4.19Å; F256-I272 HydrophobicContact CD1-CG1 4.41Å; F256-I272 HydrophobicContact CE1-CD1 3.52Å; F256-I272 HydrophobicContact CE1-CG1 4.17Å; F256-I272 HydrophobicContact CZ-CD1 4.39Å; I272-P274 CarbonylContact C-O 3.57Å; I272-P274 CarbonylContact O-C 3.57Å; I272-R275 WeakPolarHBondContact O-CA 3.41Å; I272-R275 PolarHBondContact O-N 3.41Å |
| 273 | K | 91.8 | Very high | 96.2 | Very high | 165 Ų | 165 | 52.3 Ų | 52.3 | 72% | 0.717 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.2 | 113.9 | -177.1 | -169.1 | 177.8 | 178.7 | -175.6 | 0 | 110.9 | ||
| 274 | P | 94.3 | Very high | 96.3 | Very high | 12 Ų | 12 | 45.6 Ų | 45.6 | 8% | 0.078 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -62.4 | 159.9 | -13.9 | 28.9 | -34.9 | 0 | 0 | 0 | 111.2 | M271 I272 I276 E296 E299 A300 | M271-P274 CarbonylContact C-O 3.5Å; M271-P274 WeakPolarHBondContact CG-O 3.23Å; I272-P274 CarbonylContact C-O 3.57Å; I272-P274 CarbonylContact O-C 3.57Å; P274-I276 VanDerWaalsContact C-N 3.31Å; P274-I276 HydrophobicContact CB-CG1 4.11Å; P274-I276 HydrophobicContact CG-CG1 3.89Å; P274-I276 PolarHBondContact O-N 2.89Å; P274-E296 HydrophobicContact CB-CB 4.06Å; P274-E296 HydrophobicContact CB-CG 4.23Å; P274-E296 HydrophobicContact CG-CB 4.2Å; P274-E296 WeakPolarHBondContact CG-O 3.42Å; P274-E299 HydrophobicContact CG-CB 4.36Å; P274-E299 HydrophobicContact CG-CG 4.44Å; P274-A300 HydrophobicContact CG-CB 4.01Å |
| 275 | R | 95.4 | Very high | 96.4 | Very high | 221 Ų | 221 | 50.4 Ų | 50.4 | 83% | 0.834 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 84 | -177.4 | -173.2 | 178.1 | 175.7 | 163.3 | 0.1 | 110.6 | M271 I272 | M271-R275 WeakPolarHBondContact O-CA 3.47Å; I272-R275 WeakPolarHBondContact O-CA 3.41Å; I272-R275 PolarHBondContact O-N 3.41Å |
| 276 | I | 96.7 | Very high | 96.6 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 145.6 | -173 | -63.1 | -61.7 | 0 | 0 | 0 | 110.2 | M271 P274 L278 L288 A291 E296 A300 | M271-I276 WeakPolarHBondContact CB-O 3.47Å; M271-I276 PolarHBondContact N-O 2.86Å; M271-I276 PolarHBondContact O-N 2.81Å; P274-I276 VanDerWaalsContact C-N 3.31Å; P274-I276 HydrophobicContact CB-CG1 4.11Å; P274-I276 HydrophobicContact CG-CG1 3.89Å; P274-I276 PolarHBondContact O-N 2.89Å; I276-L278 HydrophobicContact CG2-CD1 4.01Å; I276-L278 HydrophobicContact CG2-CG 4.25Å; I276-L288 HydrophobicContact CG2-CB 4.26Å; I276-L288 HydrophobicContact CG2-CD2 4.48Å; I276-A291 VanDerWaalsContact CD1-CA 3.45Å; I276-A291 HydrophobicContact CD1-CB 3.55Å; I276-A291 VanDerWaalsContact CD1-N 3.29Å; I276-E296 HydrophobicContact CD1-CB 4.28Å; I276-A300 HydrophobicContact CB-CB 4.12Å; I276-A300 HydrophobicContact CG1-CB 4.06Å; I276-A300 HydrophobicContact CG2-CB 4.05Å |
| 277 | V | 97.8 | Very high | 96.7 | Very high | 33 Ų | 33 | 47.2 Ų | 47.2 | 20% | 0.2 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127 | 170.2 | -178 | 0 | 0 | 0 | 0 | 108.4 | I268 Y269 T289 | I268-V277 HydrophobicContact CG2-CG1 3.82Å; Y269-V277 WeakPolarHBondContact O-CA 3.1Å; V277-T289 HydrophobicContact CB-CG2 4.21Å; V277-T289 PolarHBondContact N-O 2.79Å; V277-T289 PolarHBondContact O-N 2.94Å |
| 278 | L | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 143.9 | 175.6 | -54.8 | 86.7 | 0 | 0 | 0 | 109.8 | I268 Y269 M271 I276 I280 V286 V287 L288 I304 | I268-L278 WeakPolarHBondContact CA-O 3.34Å; Y269-L278 HydrophobicContact CD1-CD1 4.03Å; Y269-L278 PolarHBondContact N-O 3.48Å; Y269-L278 PolarHBondContact O-N 2.82Å; M271-L278 HydrophobicContact CB-CD1 3.9Å; M271-L278 HydrophobicContact CE-CD1 4.19Å; I276-L278 HydrophobicContact CG2-CD1 4.01Å; I276-L278 HydrophobicContact CG2-CG 4.25Å; L278-I280 HydrophobicContact CB-CG1 4.41Å; L278-V286 HydrophobicContact CB-CG1 4.41Å; L278-V286 HydrophobicContact CD2-CG1 4.21Å; L278-V287 CarbonylContact C-O 3.53Å; L278-V287 VanDerWaalsContact CA-O 3.28Å; L278-V287 WeakPolarHBondContact CA-O 3.34Å; L278-L288 HydrophobicContact CD2-CD2 3.73Å; L278-L288 HydrophobicContact CD2-CG 4.02Å; L278-L288 HydrophobicContact CG-CD2 4.09Å; L278-L288 HydrophobicContact CG-CG 4.1Å; L278-I304 HydrophobicContact CD2-CB 4.01Å; L278-I304 HydrophobicContact CD2-CG1 4.14Å; L278-I304 HydrophobicContact CD2-CG2 3.65Å |
| 279 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 111.2 | 172.7 | -66 | 157.1 | 0 | 0 | 0 | 107.1 | L76 I80 F264 L267 I268 F281 V286 V287 | L76-L279 HydrophobicContact CD1-CD1 4.15Å; L76-L279 HydrophobicContact CD2-CD1 4.04Å; L76-L279 HydrophobicContact CD2-CD2 3.49Å; L76-L279 VanDerWaalsContact CD2-CD2 3.49Å; L76-L279 HydrophobicContact CD2-CG 4.09Å; L76-L279 HydrophobicContact CG-CD1 3.97Å; L76-L279 HydrophobicContact CG-CD2 4.33Å; I80-L279 HydrophobicContact CD1-CD1 3.48Å; I80-L279 VanDerWaalsContact CD1-CD1 3.48Å; I80-L279 HydrophobicContact CG1-CD1 4.03Å; F264-L279 HydrophobicContact CD1-CD2 4.49Å; F264-L279 HydrophobicContact CE1-CD2 3.5Å; F264-L279 HydrophobicContact CZ-CD2 3.88Å; L267-L279 WeakPolarHBondContact O-CA 3.28Å; I268-L279 HydrophobicContact CD1-CD2 4.31Å; I268-L279 HydrophobicContact CG1-CD2 3.85Å; L279-F281 HydrophobicContact CB-CE2 4.21Å; L279-V286 CarbonylContact O-C 3.48Å; L279-V286 VanDerWaalsContact O-CA 3.3Å; L279-V286 WeakPolarHBondContact O-CA 3.32Å; L279-V287 HydrophobicContact CB-CB 4.16Å; L279-V287 HydrophobicContact CD1-CB 4.21Å; L279-V287 HydrophobicContact CD1-CG1 4.32Å; L279-V287 PolarHBondContact N-O 3.08Å; L279-V287 PolarHBondContact O-N 2.84Å |
| 280 | I | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 122.7 | -173.7 | -57.8 | 156.4 | 0 | 0 | 0 | 108 | I244 L246 L249 G266 L267 L278 V286 I304 L308 | I244-I280 HydrophobicContact CD1-CG2 3.66Å; L246-I280 HydrophobicContact CD2-CB 4.39Å; L246-I280 HydrophobicContact CD2-CG2 3.81Å; L249-I280 HydrophobicContact CD2-CD1 4.05Å; G266-I280 CarbonylContact C-O 3.54Å; G266-I280 WeakPolarHBondContact CA-O 3.38Å; L267-I280 HydrophobicContact CD2-CD1 4.06Å; L267-I280 PolarHBondContact N-O 3.31Å; L267-I280 PolarHBondContact O-N 3.2Å; L278-I280 HydrophobicContact CB-CG1 4.41Å; I280-V286 HydrophobicContact CG1-CG1 4.18Å; I280-V286 HydrophobicContact CG1-CG2 4.37Å; I280-V286 HydrophobicContact CG2-CG2 4.39Å; I280-I304 HydrophobicContact CD1-CG1 4.4Å; I280-L308 HydrophobicContact CD1-CD2 3.86Å; I280-L308 HydrophobicContact CG1-CD2 4.46Å; I280-L308 HydrophobicContact CG2-CD1 4.48Å; I280-L308 HydrophobicContact CG2-CD2 4.09Å |
| 281 | F | 97.9 | Very high | 96.4 | Very high | 48 Ų | 48 | 44.9 Ų | 44.9 | 21% | 0.211 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 152.4 | 179.5 | -63.3 | -86.6 | 0 | 0 | 0 | 110.8 | F264 L279 S283 G284 K285 V287 | F264-F281 HydrophobicContact CZ-CE1 4.02Å; F264-F281 AromaticContact CZ-CZ 3.95Å; F264-F281 HydrophobicContact CZ-CZ 3.95Å; L279-F281 HydrophobicContact CB-CE2 4.21Å; F281-S283 PolarHBondContact O-N 2.83Å; F281-G284 PolarHBondContact O-N 3.46Å; F281-K285 HydrophobicContact CB-CB 4.47Å; F281-K285 HydrophobicContact CD2-CB 4.25Å; F281-K285 WeakPolarHBondContact CD2-O 3.27Å; F281-K285 PolarHBondContact N-O 3.17Å; F281-V287 HydrophobicContact CE2-CG2 4.3Å |
| 282 | V | 96.7 | Very high | 96.3 | Very high | 50 Ų | 50 | 49.3 Ų | 49.3 | 30% | 0.303 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -29.9 | 177.3 | -179.3 | 0 | 0 | 0 | 0 | 112.1 | P243 I244 L246 G284 | P243-V282 CarbonylContact C-O 3.58Å; P243-V282 VanDerWaalsContact CA-O 3.23Å; P243-V282 WeakPolarHBondContact CA-O 3.28Å; I244-V282 PolarHBondContact N-O 2.92Å; L246-V282 HydrophobicContact CD1-CG2 3.51Å; L246-V282 HydrophobicContact CG-CG2 3.98Å; V282-G284 PolarHBondContact O-N 3.49Å |
| 283 | S | 96.6 | Very high | 96.4 | Very high | 68 Ų | 68 | 47.3 Ų | 47.3 | 48% | 0.476 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -13.8 | 177.7 | 57.5 | 0 | 0 | 0 | 0 | 115.1 | F281 | F281-S283 PolarHBondContact O-N 2.83Š|
| 284 | G | 95.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 92.8 | -3.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V240 F242 F281 V282 | V240-G284 WeakPolarHBondContact CG2-O 3.45Å; V240-G284 PolarHBondContact N-O 2.7Å; F242-G284 WeakPolarHBondContact O-CA 3.14Å; F281-G284 PolarHBondContact O-N 3.46Å; V282-G284 PolarHBondContact O-N 3.49Å |
| 285 | K | 97.6 | Very high | 96.6 | Very high | 123 Ų | 123 | 45.7 Ų | 45.7 | 54% | 0.535 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 137.7 | 169 | -65 | -177.2 | -178 | -180 | 0 | 109.9 | D239 F281 | D239-K285 HydrophobicContact CB-CG 4.44Å; F281-K285 HydrophobicContact CB-CB 4.47Å; F281-K285 HydrophobicContact CD2-CB 4.25Å; F281-K285 WeakPolarHBondContact CD2-O 3.27Å; F281-K285 PolarHBondContact N-O 3.17Å |
| 286 | V | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.006 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 132.5 | 178.6 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | S237 C238 V240 L278 L279 I280 L288 L308 | S237-V286 CarbonylContact C-O 3.58Å; S237-V286 VanDerWaalsContact CA-O 3.25Å; S237-V286 WeakPolarHBondContact CA-O 3.5Å; C238-V286 PolarHBondContact N-O 3.06Å; C238-V286 PolarHBondContact O-N 3.45Å; V240-V286 HydrophobicContact CG1-CG2 4.27Å; L278-V286 HydrophobicContact CB-CG1 4.41Å; L278-V286 HydrophobicContact CD2-CG1 4.21Å; L279-V286 CarbonylContact O-C 3.48Å; L279-V286 VanDerWaalsContact O-CA 3.3Å; L279-V286 WeakPolarHBondContact O-CA 3.32Å; I280-V286 HydrophobicContact CG1-CG1 4.18Å; I280-V286 HydrophobicContact CG1-CG2 4.37Å; I280-V286 HydrophobicContact CG2-CG2 4.39Å; V286-L288 HydrophobicContact CG1-CD1 4.04Å; V286-L288 HydrophobicContact CG1-CG 4.36Å; V286-L308 HydrophobicContact CG2-CD1 3.89Å |
| 287 | V | 98 | Very high | 96.7 | Very high | 19 Ų | 19 | 37.8 Ų | 37.8 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 133.1 | 171.5 | -180 | 0 | 0 | 0 | 0 | 108.7 | V235 G236 L278 L279 F281 | V235-V287 HydrophobicContact CG1-CG1 3.85Å; G236-V287 CarbonylContact O-C 3.6Å; G236-V287 WeakPolarHBondContact O-CA 3.45Å; L278-V287 CarbonylContact C-O 3.53Å; L278-V287 VanDerWaalsContact CA-O 3.28Å; L278-V287 WeakPolarHBondContact CA-O 3.34Å; L279-V287 HydrophobicContact CB-CB 4.16Å; L279-V287 HydrophobicContact CD1-CB 4.21Å; L279-V287 HydrophobicContact CD1-CG1 4.32Å; L279-V287 PolarHBondContact N-O 3.08Å; L279-V287 PolarHBondContact O-N 2.84Å; F281-V287 HydrophobicContact CE2-CG2 4.3Å |
| 288 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.8 | -179.9 | -58.7 | 93.9 | 0 | 0 | 0 | 108.9 | V235 G236 I276 L278 V286 I297 A300 F301 | V235-L288 CarbonylContact C-O 3.49Å; V235-L288 VanDerWaalsContact CA-O 3.31Å; V235-L288 WeakPolarHBondContact CA-O 3.32Å; G236-L288 PolarHBondContact N-O 2.92Å; G236-L288 PolarHBondContact O-N 3.24Å; I276-L288 HydrophobicContact CG2-CB 4.26Å; I276-L288 HydrophobicContact CG2-CD2 4.48Å; L278-L288 HydrophobicContact CD2-CD2 3.73Å; L278-L288 HydrophobicContact CD2-CG 4.02Å; L278-L288 HydrophobicContact CG-CD2 4.09Å; L278-L288 HydrophobicContact CG-CG 4.1Å; V286-L288 HydrophobicContact CG1-CD1 4.04Å; V286-L288 HydrophobicContact CG1-CG 4.36Å; L288-I297 HydrophobicContact CB-CD1 3.74Å; L288-I297 HydrophobicContact CB-CG2 4.34Å; L288-I297 HydrophobicContact CD2-CG2 4.33Å; L288-A300 HydrophobicContact CD2-CB 3.89Å; L288-F301 HydrophobicContact CD2-CB 4.29Å |
| 289 | T | 96.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 9% | 0.092 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 160.4 | 178.3 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | L76 N233 V277 | L76-T289 HydrophobicContact CD1-CG2 3.6Å; N233-T289 PolarHBondContact ND2-OG1 3.29Å; V277-T289 HydrophobicContact CB-CG2 4.21Å; V277-T289 PolarHBondContact N-O 2.79Å; V277-T289 PolarHBondContact O-N 2.94Å |
| 290 | G | 93.8 | Very high | 96.4 | Very high | 37 Ų | 37 | 43.6 Ų | 43.6 | 38% | 0.381 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 103 | -4.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | N233 | N233-G290 WeakPolarHBondContact OD1-CA 3.47Å; N233-G290 PolarHBondContact OD1-N 3.49Å |
| 291 | A | 96.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 144.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N233 M234 I276 E296 I297 | N233-A291 CarbonylContact C-O 3.47Å; N233-A291 VanDerWaalsContact CA-O 3.3Å; N233-A291 WeakPolarHBondContact CA-O 3.3Å; M234-A291 HydrophobicContact CB-CB 4.23Å; M234-A291 PolarHBondContact N-O 3Å; I276-A291 VanDerWaalsContact CD1-CA 3.45Å; I276-A291 HydrophobicContact CD1-CB 3.55Å; I276-A291 VanDerWaalsContact CD1-N 3.29Å; A291-E296 WeakPolarHBondContact CA-OE2 3.24Å; A291-E296 HydrophobicContact CB-CB 4.06Å; A291-I297 HydrophobicContact CB-CD1 3.41Å; A291-I297 VanDerWaalsContact CB-CD1 3.41Å; A291-I297 HydrophobicContact CB-CG1 3.55Å |
| 292 | K | 95.2 | Very high | 96.2 | Very high | 113 Ų | 113 | 47.2 Ų | 47.2 | 49% | 0.491 | 25% | 0.25 | S | C | . | . | S | Bend | trans | -103.9 | -21.5 | 168.2 | -69 | 175.8 | -178.7 | 166.8 | 0 | 111.9 | E296 | K292-E296 PolarHBondContact N-OE2 3.27Š|
| 293 | V | 95.8 | Very high | 96.1 | Very high | 85 Ų | 85 | 48.4 Ų | 48.4 | 52% | 0.515 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -128.7 | 140.7 | 179.8 | -173.1 | 0 | 0 | 0 | 0 | 109 | M234 A295 E296 | M234-V293 VanDerWaalsContact SD-C 3.58Å; V293-A295 HydrophobicContact CG1-CB 4.26Å; V293-A295 PolarHBondContact O-N 2.89Å; V293-E296 HydrophobicContact CB-CG 4.41Å; V293-E296 PolarHBondContact N-OE2 3.33Å; V293-E296 VanDerWaalsContact N-OE2 3.1Å; V293-E296 WeakPolarHBondContact O-CB 3.45Å; V293-E296 PolarHBondContact O-N 3.19Å |
| 294 | R | 94.8 | Very high | 96.1 | Very high | 84 Ų | 84 | 45.1 Ų | 45.1 | 32% | 0.317 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -53 | -38.4 | 179.4 | -168.9 | -175 | -68.6 | -158.3 | -2.3 | 113.4 | L141 E203 M234 E296 I297 Y298 | L141-R294 HydrophobicContact CD1-CG 4.15Å; E203-R294 IonicContact OE1-CZ 3.96Å; E203-R294 IonicContact OE1-NE 3.56Å; E203-R294 PolarHBondContact OE1-NE 3.3Å; E203-R294 VanDerWaalsContact OE1-NE 3.17Å; E203-R294 IonicContact OE1-NH2 3.63Å; E203-R294 IonicContact OE2-CZ 3.81Å; E203-R294 IonicContact OE2-NE 3.17Å; E203-R294 IonicContact OE2-NH2 2.69Å; E203-R294 PolarHBondContact OE2-NH2 3.14Å; M234-R294 HydrophobicContact CE-CB 4.01Å; M234-R294 PolarHBondContact SD-N 2.87Å; M234-R294 VanDerWaalsContact SD-N 3.42Å; R294-E296 VanDerWaalsContact C-N 3.25Å; R294-E296 PolarHBondContact O-N 3.2Å; R294-I297 WeakPolarHBondContact O-CB 3.4Å; R294-I297 PolarHBondContact O-N 3.45Å; R294-I297 VanDerWaalsContact O-N 3.09Å; R294-Y298 WeakPolarHBondContact CD-OH 3.45Å; R294-Y298 HydrophobicContact CG-CD2 4.33Å; R294-Y298 HydrophobicContact CG-CE1 4.47Å; R294-Y298 HydrophobicContact CG-CE2 3.59Å; R294-Y298 PolarHBondContact O-N 2.92Å |
| 295 | A | 95.9 | Very high | 96.1 | Very high | 59 Ų | 59 | 46.3 Ų | 46.3 | 49% | 0.488 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.9 | -35.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | V293 I297 Y298 E299 | V293-A295 HydrophobicContact CG1-CB 4.26Å; V293-A295 PolarHBondContact O-N 2.89Å; A295-I297 VanDerWaalsContact C-N 3.26Å; A295-I297 PolarHBondContact O-N 2.91Å; A295-Y298 PolarHBondContact O-N 3.31Å; A295-Y298 VanDerWaalsContact O-N 3.13Å; A295-E299 WeakPolarHBondContact O-CB 3.49Å; A295-E299 PolarHBondContact O-N 3.36Å |
| 296 | E | 96.6 | Very high | 96 | Very high | 59 Ų | 59 | 43.6 Ų | 43.6 | 28% | 0.276 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.1 | -31.2 | 178.7 | -61.2 | 173.4 | 136.3 | 0 | 0 | 111.8 | P274 I276 A291 K292 V293 R294 A300 | P274-E296 HydrophobicContact CB-CB 4.06Å; P274-E296 HydrophobicContact CB-CG 4.23Å; P274-E296 HydrophobicContact CG-CB 4.2Å; P274-E296 WeakPolarHBondContact CG-O 3.42Å; I276-E296 HydrophobicContact CD1-CB 4.28Å; A291-E296 WeakPolarHBondContact CA-OE2 3.24Å; A291-E296 HydrophobicContact CB-CB 4.06Å; K292-E296 PolarHBondContact N-OE2 3.27Å; V293-E296 HydrophobicContact CB-CG 4.41Å; V293-E296 PolarHBondContact N-OE2 3.33Å; V293-E296 VanDerWaalsContact N-OE2 3.1Å; V293-E296 WeakPolarHBondContact O-CB 3.45Å; V293-E296 PolarHBondContact O-N 3.19Å; R294-E296 VanDerWaalsContact C-N 3.25Å; R294-E296 PolarHBondContact O-N 3.2Å; E296-A300 WeakPolarHBondContact O-CB 3.4Å; E296-A300 PolarHBondContact O-N 2.86Å |
| 297 | I | 96.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.8 | -41.2 | 174.9 | -62.1 | -67.9 | 0 | 0 | 0 | 110.3 | P139 L288 A291 R294 A295 F301 | P139-I297 HydrophobicContact CB-CG2 3.81Å; P139-I297 HydrophobicContact CG-CG2 4.39Å; L288-I297 HydrophobicContact CB-CD1 3.74Å; L288-I297 HydrophobicContact CB-CG2 4.34Å; L288-I297 HydrophobicContact CD2-CG2 4.33Å; A291-I297 HydrophobicContact CB-CD1 3.41Å; A291-I297 VanDerWaalsContact CB-CD1 3.41Å; A291-I297 HydrophobicContact CB-CG1 3.55Å; R294-I297 WeakPolarHBondContact O-CB 3.4Å; R294-I297 PolarHBondContact O-N 3.45Å; R294-I297 VanDerWaalsContact O-N 3.09Å; A295-I297 VanDerWaalsContact C-N 3.26Å; A295-I297 PolarHBondContact O-N 2.91Å; I297-F301 WeakPolarHBondContact O-CB 3.41Å; I297-F301 PolarHBondContact O-N 2.89Å |
| 298 | Y | 95.7 | Very high | 95.8 | Very high | 73 Ų | 73 | 44.9 Ų | 44.9 | 29% | 0.286 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -69.4 | -47.9 | 179.6 | -59.9 | -30.4 | 0 | 0 | 0 | 111.5 | V138 P139 R294 A295 A300 F301 E302 | V138-Y298 HydrophobicContact CG1-CE1 4.03Å; P139-Y298 HydrophobicContact CB-CD1 4.27Å; P139-Y298 HydrophobicContact CB-CE1 4.25Å; P139-Y298 HydrophobicContact CG-CD1 4.15Å; P139-Y298 WeakPolarHBondContact O-CE1 3.32Å; R294-Y298 WeakPolarHBondContact CD-OH 3.45Å; R294-Y298 HydrophobicContact CG-CD2 4.33Å; R294-Y298 HydrophobicContact CG-CE1 4.47Å; R294-Y298 HydrophobicContact CG-CE2 3.59Å; R294-Y298 PolarHBondContact O-N 2.92Å; A295-Y298 PolarHBondContact O-N 3.31Å; A295-Y298 VanDerWaalsContact O-N 3.13Å; Y298-A300 VanDerWaalsContact C-N 3.34Å; Y298-A300 PolarHBondContact O-N 3.46Å; Y298-F301 PolarHBondContact O-N 2.9Å; Y298-F301 VanDerWaalsContact O-N 3.11Å; Y298-E302 WeakPolarHBondContact O-CG 3.48Å; Y298-E302 PolarHBondContact O-N 2.99Å |
| 299 | E | 96 | Very high | 95.7 | Very high | 82 Ų | 82 | 49 Ų | 49 | 38% | 0.383 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 175.4 | -173.1 | -174 | 174.9 | 0 | 0 | 111.5 | P274 A295 F301 E302 N303 | P274-E299 HydrophobicContact CG-CB 4.36Å; P274-E299 HydrophobicContact CG-CG 4.44Å; A295-E299 WeakPolarHBondContact O-CB 3.49Å; A295-E299 PolarHBondContact O-N 3.36Å; E299-F301 VanDerWaalsContact C-N 3.29Å; E299-F301 PolarHBondContact O-N 2.85Å; E299-E302 PolarHBondContact O-N 3.45Å; E299-N303 WeakPolarHBondContact O-CB 3.5Å; E299-N303 VanDerWaalsContact O-CG 3.27Å; E299-N303 PolarHBondContact O-N 3.39Å; E299-N303 PolarHBondContact O-ND2 3.49Å |
| 300 | A | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62 | -37.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M271 P274 I276 L288 E296 Y298 I304 | M271-A300 HydrophobicContact CE-CB 4.4Å; M271-A300 WeakPolarHBondContact CE-O 3.43Å; M271-A300 HydrophobicContact SD-CB 3.75Å; P274-A300 HydrophobicContact CG-CB 4.01Å; I276-A300 HydrophobicContact CB-CB 4.12Å; I276-A300 HydrophobicContact CG1-CB 4.06Å; I276-A300 HydrophobicContact CG2-CB 4.05Å; L288-A300 HydrophobicContact CD2-CB 3.89Å; E296-A300 WeakPolarHBondContact O-CB 3.4Å; E296-A300 PolarHBondContact O-N 2.86Å; Y298-A300 VanDerWaalsContact C-N 3.34Å; Y298-A300 PolarHBondContact O-N 3.46Å; A300-I304 PolarHBondContact O-N 3.38Å; A300-I304 VanDerWaalsContact O-N 3.15Å |
| 301 | F | 96.3 | Very high | 95.7 | Very high | 4 Ų | 4 | 51.9 Ų | 51.9 | 2% | 0.018 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -70.9 | -42.9 | 177.7 | -177.1 | -105.8 | 0 | 0 | 0 | 112.2 | I137 P139 C238 V240 L288 I297 Y298 E299 N303 I304 Y305 | I137-F301 HydrophobicContact CB-CE1 4.07Å; I137-F301 HydrophobicContact CB-CZ 4.05Å; I137-F301 HydrophobicContact CG2-CE1 4.1Å; I137-F301 HydrophobicContact CG2-CZ 3.79Å; I137-F301 WeakPolarHBondContact O-CE1 3.46Å; P139-F301 HydrophobicContact CG-CB 3.55Å; P139-F301 HydrophobicContact CG-CD1 3.73Å; P139-F301 HydrophobicContact CG-CD2 4.12Å; P139-F301 HydrophobicContact CG-CE1 4.48Å; P139-F301 HydrophobicContact CG-CG 3.5Å; C238-F301 HydrophobicContact CB-CE2 4.21Å; C238-F301 WeakPolarHBondContact SG-CD2 3.39Å; C238-F301 WeakPolarHBondContact SG-CE2 3.44Å; V240-F301 HydrophobicContact CG1-CE2 4.03Å; V240-F301 HydrophobicContact CG1-CZ 4.24Å; L288-F301 HydrophobicContact CD2-CB 4.29Å; I297-F301 WeakPolarHBondContact O-CB 3.41Å; I297-F301 PolarHBondContact O-N 2.89Å; Y298-F301 PolarHBondContact O-N 2.9Å; Y298-F301 VanDerWaalsContact O-N 3.11Å; E299-F301 VanDerWaalsContact C-N 3.29Å; E299-F301 PolarHBondContact O-N 2.85Å; F301-N303 VanDerWaalsContact C-N 3.26Å; F301-N303 PolarHBondContact O-N 2.82Å; F301-I304 HydrophobicContact CD2-CG2 4.36Å; F301-I304 PolarHBondContact O-N 3.27Å; F301-Y305 HydrophobicContact CE1-CD2 4.13Å; F301-Y305 HydrophobicContact CE2-CD2 4.25Å; F301-Y305 AromaticContact CZ-CD2 3.61Å; F301-Y305 HydrophobicContact CZ-CD2 3.61Å; F301-Y305 HydrophobicContact CZ-CE2 4.35Å; F301-Y305 HydrophobicContact CZ-CG 4.35Å; F301-Y305 VanDerWaalsContact O-CB 3.28Å; F301-Y305 WeakPolarHBondContact O-CB 3.17Å; F301-Y305 PolarHBondContact O-N 3.23Å |
| 302 | E | 95 | Very high | 95.7 | Very high | 120 Ų | 120 | 59.1 Ų | 59.1 | 56% | 0.561 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60 | -37.7 | 176.1 | -74.5 | -178.6 | 173.5 | 0 | 0 | 112 | Y298 E299 P306 | Y298-E302 WeakPolarHBondContact O-CG 3.48Å; Y298-E302 PolarHBondContact O-N 2.99Å; E299-E302 PolarHBondContact O-N 3.45Å; E302-P306 WeakPolarHBondContact O-CD 3.3Å |
| 303 | N | 94.9 | Very high | 95.5 | Very high | 74 Ų | 74 | 56.8 Ų | 56.8 | 40% | 0.396 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -69.7 | -42.1 | 176.8 | -72.5 | -23.9 | 0 | 0 | 0 | 112.9 | M271 E299 F301 | M271-N303 HydrophobicContact CE-CB 3.86Å; M271-N303 HydrophobicContact SD-CB 4.3Å; E299-N303 WeakPolarHBondContact O-CB 3.5Å; E299-N303 VanDerWaalsContact O-CG 3.27Å; E299-N303 PolarHBondContact O-N 3.39Å; E299-N303 PolarHBondContact O-ND2 3.49Å; F301-N303 VanDerWaalsContact C-N 3.26Å; F301-N303 PolarHBondContact O-N 2.82Å |
| 304 | I | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -82 | -31.1 | -175.4 | -157.6 | 65.7 | 0 | 0 | 0 | 112.7 | Y269 M271 L278 I280 A300 F301 I307 L308 | Y269-I304 HydrophobicContact CD1-CD1 3.99Å; Y269-I304 HydrophobicContact CD2-CD1 4.09Å; Y269-I304 HydrophobicContact CE1-CD1 3.76Å; Y269-I304 HydrophobicContact CE2-CD1 3.86Å; Y269-I304 HydrophobicContact CG-CD1 4.15Å; M271-I304 HydrophobicContact CE-CB 4.13Å; M271-I304 HydrophobicContact CE-CD1 4.5Å; L278-I304 HydrophobicContact CD2-CB 4.01Å; L278-I304 HydrophobicContact CD2-CG1 4.14Å; L278-I304 HydrophobicContact CD2-CG2 3.65Å; I280-I304 HydrophobicContact CD1-CG1 4.4Å; A300-I304 PolarHBondContact O-N 3.38Å; A300-I304 VanDerWaalsContact O-N 3.15Å; F301-I304 HydrophobicContact CD2-CG2 4.36Å; F301-I304 PolarHBondContact O-N 3.27Å; I304-I307 HydrophobicContact CD1-CD1 4.22Å; I304-I307 WeakPolarHBondContact O-CB 3.42Å; I304-I307 PolarHBondContact O-N 2.69Å; I304-I307 VanDerWaalsContact O-N 3.1Å; I304-L308 HydrophobicContact CG1-CD1 4.32Å; I304-L308 HydrophobicContact CG1-CD2 4.11Å; I304-L308 HydrophobicContact CG1-CG 4.04Å; I304-L308 HydrophobicContact CG2-CD1 4.2Å; I304-L308 WeakPolarHBondContact O-CG 3.49Å; I304-L308 PolarHBondContact O-N 3.49Å |
| 305 | Y | 96.3 | Very high | 93.1 | Very high | 24 Ų | 24 | 63.9 Ų | 63.9 | 9% | 0.094 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54 | -49.6 | -174.2 | -178.2 | -94.3 | 0 | 0 | 0 | 115.1 | S135 I137 V240 F242 F301 I307 L308 K309 | S135-Y305 VanDerWaalsContact CB-CE1 3.44Å; S135-Y305 WeakPolarHBondContact OG-CD1 3.32Å; S135-Y305 WeakPolarHBondContact OG-CD2 3.44Å; S135-Y305 WeakPolarHBondContact OG-CE1 3.5Å; I137-Y305 HydrophobicContact CD1-CE2 3.96Å; V240-Y305 HydrophobicContact CB-CE2 4.23Å; V240-Y305 HydrophobicContact CG1-CD2 4.06Å; V240-Y305 HydrophobicContact CG1-CE2 4.21Å; F242-Y305 HydrophobicContact CE1-CE2 4.28Å; F301-Y305 HydrophobicContact CE1-CD2 4.13Å; F301-Y305 HydrophobicContact CE2-CD2 4.25Å; F301-Y305 AromaticContact CZ-CD2 3.61Å; F301-Y305 HydrophobicContact CZ-CD2 3.61Å; F301-Y305 HydrophobicContact CZ-CE2 4.35Å; F301-Y305 HydrophobicContact CZ-CG 4.35Å; F301-Y305 VanDerWaalsContact O-CB 3.28Å; F301-Y305 WeakPolarHBondContact O-CB 3.17Å; F301-Y305 PolarHBondContact O-N 3.23Å; Y305-I307 PolarHBondContact O-N 3.05Å; Y305-L308 PolarHBondContact O-N 3.32Å; Y305-L308 VanDerWaalsContact O-N 3.14Å; Y305-K309 HydrophobicContact CE1-CD 4.21Å; Y305-K309 PolarHBondContact O-N 3.22Å |
| 306 | P | 95.7 | Very high | 92.9 | Very high | 67 Ų | 67 | 64.1 Ų | 64.1 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62 | -33.8 | 179.3 | 23.9 | -34 | 0 | 0 | 0 | 111.9 | E302 K309 G310 | E302-P306 WeakPolarHBondContact O-CD 3.3Å; P306-K309 PolarHBondContact O-N 3.07Å; P306-G310 PolarHBondContact O-N 3.37Å |
| 307 | I | 95.5 | Very high | 92.7 | Very high | 47 Ų | 47 | 64.4 Ų | 64.4 | 24% | 0.241 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63.3 | -52 | 174 | -59.9 | 171.3 | 0 | 0 | 0 | 109.4 | L249 H253 I304 Y305 K309 G310 F311 | L249-I307 HydrophobicContact CD1-CG2 3.75Å; H253-I307 WeakPolarHBondContact CE1-CG2 3.48Å; I304-I307 HydrophobicContact CD1-CD1 4.22Å; I304-I307 WeakPolarHBondContact O-CB 3.42Å; I304-I307 PolarHBondContact O-N 2.69Å; I304-I307 VanDerWaalsContact O-N 3.1Å; Y305-I307 PolarHBondContact O-N 3.05Å; I307-K309 VanDerWaalsContact C-N 3.27Å; I307-K309 PolarHBondContact O-N 3.32Å; I307-G310 PolarHBondContact O-N 3.47Å; I307-F311 HydrophobicContact CG2-CD2 4.13Å; I307-F311 HydrophobicContact CG2-CE2 3.96Å; I307-F311 VanDerWaalsContact O-CD2 3.24Å; I307-F311 WeakPolarHBondContact O-CD2 3.27Å; I307-F311 PolarHBondContact O-N 2.69Å |
| 308 | L | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.3 | -39.3 | -180 | -59.5 | -175.2 | 0 | 0 | 0 | 112.2 | V240 F242 I244 L249 I280 V286 I304 Y305 G310 F311 R312 | V240-L308 HydrophobicContact CG1-CD1 4.11Å; F242-L308 WeakPolarHBondContact CE2-O 3.45Å; I244-L308 HydrophobicContact CD1-CB 4.15Å; I244-L308 HydrophobicContact CD1-CD1 4.06Å; I244-L308 HydrophobicContact CD1-CD2 4.2Å; I244-L308 HydrophobicContact CD1-CG 4.34Å; L249-L308 HydrophobicContact CD1-CD2 3.99Å; I280-L308 HydrophobicContact CD1-CD2 3.86Å; I280-L308 HydrophobicContact CG1-CD2 4.46Å; I280-L308 HydrophobicContact CG2-CD1 4.48Å; I280-L308 HydrophobicContact CG2-CD2 4.09Å; V286-L308 HydrophobicContact CG2-CD1 3.89Å; I304-L308 HydrophobicContact CG1-CD1 4.32Å; I304-L308 HydrophobicContact CG1-CD2 4.11Å; I304-L308 HydrophobicContact CG1-CG 4.04Å; I304-L308 HydrophobicContact CG2-CD1 4.2Å; I304-L308 WeakPolarHBondContact O-CG 3.49Å; I304-L308 PolarHBondContact O-N 3.49Å; Y305-L308 PolarHBondContact O-N 3.32Å; Y305-L308 VanDerWaalsContact O-N 3.14Å; L308-G310 VanDerWaalsContact C-N 3.29Å; L308-G310 PolarHBondContact O-N 3.16Å; L308-F311 CarbonylContact O-C 3.54Å; L308-F311 PolarHBondContact O-N 3.3Å; L308-F311 VanDerWaalsContact O-N 3.08Å; L308-R312 PolarHBondContact O-N 3.2Å |
| 309 | K | 94.9 | Very high | 92.3 | Very high | 87 Ų | 87 | 67.6 Ų | 67.6 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 176.4 | -169.7 | 176.5 | 179.7 | 179.3 | 0 | 111.9 | E133 F242 Y305 P306 I307 F311 R312 | E133-K309 IonicContact OE2-NZ 2.74Å; E133-K309 PolarHBondContact OE2-NZ 3.28Å; F242-K309 HydrophobicContact CZ-CB 4.16Å; Y305-K309 HydrophobicContact CE1-CD 4.21Å; Y305-K309 PolarHBondContact O-N 3.22Å; P306-K309 PolarHBondContact O-N 3.07Å; I307-K309 VanDerWaalsContact C-N 3.27Å; I307-K309 PolarHBondContact O-N 3.32Å; K309-F311 VanDerWaalsContact C-N 3.27Å; K309-F311 PolarHBondContact O-N 2.99Å; K309-R312 VanDerWaalsContact O-CB 3.28Å; K309-R312 WeakPolarHBondContact O-CB 3.08Å; K309-R312 PolarHBondContact O-N 3.12Å |
| 310 | G | 94.6 | Very high | 92.1 | Very high | 68 Ų | 68 | 66.8 Ų | 66.8 | 70% | 0.701 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.4 | -25 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | P306 I307 L308 | P306-G310 PolarHBondContact O-N 3.37Å; I307-G310 PolarHBondContact O-N 3.47Å; L308-G310 VanDerWaalsContact C-N 3.29Å; L308-G310 PolarHBondContact O-N 3.16Å |
| 311 | F | 95.4 | Very high | 91.8 | Very high | 43 Ų | 43 | 71.2 Ų | 71.2 | 19% | 0.189 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 18 | 176.2 | -66.7 | -81.9 | 0 | 0 | 0 | 113.4 | I244 R245 G248 L249 T252 I307 L308 K309 K313 | I244-F311 HydrophobicContact CG2-CB 4.09Å; R245-F311 PolarHBondContact N-O 2.87Å; G248-F311 VanDerWaalsContact C-CE1 3.4Å; G248-F311 WeakPolarHBondContact O-CE1 3.31Å; L249-F311 HydrophobicContact CB-CD2 4.46Å; L249-F311 HydrophobicContact CB-CG 4.42Å; L249-F311 HydrophobicContact CD1-CD2 3.46Å; L249-F311 VanDerWaalsContact CD1-CD2 3.46Å; L249-F311 HydrophobicContact CD1-CE2 3.83Å; L249-F311 HydrophobicContact CD1-CG 4.11Å; L249-F311 HydrophobicContact CG-CD2 4.5Å; T252-F311 HydrophobicContact CG2-CZ 4.26Å; I307-F311 HydrophobicContact CG2-CD2 4.13Å; I307-F311 HydrophobicContact CG2-CE2 3.96Å; I307-F311 VanDerWaalsContact O-CD2 3.24Å; I307-F311 WeakPolarHBondContact O-CD2 3.27Å; I307-F311 PolarHBondContact O-N 2.69Å; L308-F311 CarbonylContact O-C 3.54Å; L308-F311 PolarHBondContact O-N 3.3Å; L308-F311 VanDerWaalsContact O-N 3.08Å; K309-F311 VanDerWaalsContact C-N 3.27Å; K309-F311 PolarHBondContact O-N 2.99Å; F311-K313 PolarHBondContact O-N 2.78Å |
| 312 | R | 95.5 | Very high | 91.5 | Very high | 152 Ų | 152 | 76 Ų | 76 | 57% | 0.574 | 41% | 0.414 | S | S | * | . | B | Isolated β-bridge | trans | -58 | 128.9 | 172.9 | 177.9 | 174.2 | 177.8 | -172.8 | 0.9 | 109.8 | F242 P243 L308 K309 T314 | F242-R312 HydrophobicContact CB-CG 3.98Å; F242-R312 HydrophobicContact CD2-CB 3.76Å; F242-R312 HydrophobicContact CD2-CG 3.72Å; F242-R312 HydrophobicContact CE2-CB 4.05Å; F242-R312 HydrophobicContact CE2-CG 4.47Å; F242-R312 HydrophobicContact CG-CB 4.43Å; F242-R312 HydrophobicContact CG-CG 3.97Å; P243-R312 WeakPolarHBondContact O-CA 3.3Å; L308-R312 PolarHBondContact O-N 3.2Å; K309-R312 VanDerWaalsContact O-CB 3.28Å; K309-R312 WeakPolarHBondContact O-CB 3.08Å; K309-R312 PolarHBondContact O-N 3.12Å; R312-T314 PolarHBondContact O-N 3.14Å |
| 313 | K | 90.9 | Very high | 91.2 | Very high | 64 Ų | 64 | 72.6 Ų | 72.6 | 28% | 0.278 | 40% | 0.403 | S | S | . | . | trans | -71.7 | 115.4 | 170.5 | -67.8 | -176.7 | -179.8 | -177.4 | 0 | 108.3 | P243 I244 R245 F311 T315 | P243-K313 HydrophobicContact CB-CB 4.4Å; P243-K313 HydrophobicContact CG-CB 4.16Å; P243-K313 PolarHBondContact O-N 2.79Å; I244-K313 WeakPolarHBondContact O-CE 3.33Å; R245-K313 VanDerWaalsContact CA-CE 3.48Å; R245-K313 HydrophobicContact CB-CG 3.9Å; F311-K313 PolarHBondContact O-N 2.78Å; K313-T315 PolarHBondContact O-N 3.3Å | ||
| 314 | T | 81.2 | Confident | 90.9 | Very high | 128 Ų | 128 | 72.5 Ų | 72.5 | 79% | 0.785 | 40% | 0.403 | S | S | * | . | trans | -65.6 | 118.1 | 162.8 | -34.6 | 0 | 0 | 0 | 0 | 106.6 | R312 | R312-T314 PolarHBondContact O-N 3.14Š| ||
| 315 | T | 59.2 | Low | 90.5 | Very high | 190 Ų | 190 | 79.1 Ų | 79.1 | 100% | 1.166 | 44% | 0.44 | S | S | * | . | trans | -79.7 | 0 | 171.9 | -49 | 0 | 0 | 0 | 0 | 108.5 | K313 | K313-T315 PolarHBondContact O-N 3.3Š|
Retrieved 315 of 315 residues in 239.8 ms
(Link to these results)