| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.5 | Very low | 45 | Very low | 237 Ų | 237 | 165.4 Ų | 165.4 | 100% | 1.167 | 84% | 0.84 | S | S | * | * | 0 | 76 | 0 | -63.4 | 173.5 | 178.8 | 0 | 0 | 104.5 | |||||
| 2 | S | 43.2 | Very low | 44.8 | Very low | 96 Ų | 96 | 159.3 Ų | 159.3 | 67% | 0.671 | 82% | 0.823 | S | S | * | * | 70.9 | 132.2 | 87.6 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 3 | D | 41.8 | Very low | 44.8 | Very low | 152 Ų | 152 | 158.9 Ų | 158.9 | 81% | 0.813 | 82% | 0.816 | S | S | * | * | trans | 115.6 | 133 | 160.6 | -56.8 | -26.5 | 0 | 0 | 0 | 112.4 | ||||
| 4 | T | 46.3 | Very low | 44.6 | Very low | 110 Ų | 110 | 157.8 Ų | 157.8 | 68% | 0.675 | 81% | 0.812 | S | S | * | * | cis | -172.6 | 117 | -11.4 | -83.8 | 0 | 0 | 0 | 0 | 102.2 | ||||
| 5 | E | 49.2 | Very low | 44 | Very low | 203 Ų | 203 | 152.3 Ų | 152.3 | 95% | 0.949 | 81% | 0.809 | S | S | * | * | trans | -119.4 | 108.7 | 170.2 | -88.3 | -174.9 | 126.4 | 0 | 0 | 108.7 | ||||
| 6 | Q | 48.9 | Very low | 44 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -127.5 | 147.7 | 164.7 | -83 | -174.6 | -4.9 | 0 | 0 | 108.5 | ||||
| 7 | Q | 45.4 | Very low | 43.9 | Very low | 170 Ų | 170 | 153.8 Ų | 153.8 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | trans | 99.9 | 149.3 | 158.7 | -73.9 | 175.5 | -11.9 | 0 | 0 | 119.4 | ||||
| 8 | F | 40.6 | Very low | 43.7 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | 97.6 | 119.4 | -175.8 | -68 | -73 | 0 | 0 | 0 | 113.3 | ||||
| 9 | M | 45.1 | Very low | 44 | Very low | 160 Ų | 160 | 150.4 Ų | 150.4 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | cis | -154.8 | 144.3 | 16.2 | -91.9 | 170.8 | -164.6 | 0 | 0 | 110.8 | ||||
| 10 | E | 49.6 | Very low | 44.3 | Very low | 190 Ų | 190 | 152 Ų | 152 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -74.1 | 142.3 | 147.6 | -82.5 | 171 | 111.4 | 0 | 0 | 109.3 | ||||
| 11 | T | 47.1 | Very low | 44.3 | Very low | 140 Ų | 140 | 150.9 Ų | 150.9 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | trans | -161.5 | 150.8 | 137.1 | 25.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 12 | S | 43.6 | Very low | 44.7 | Very low | 92 Ų | 92 | 147.5 Ų | 147.5 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | -90.7 | 166.7 | -163.1 | 46.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 13 | E | 43.8 | Very low | 44.5 | Very low | 155 Ų | 155 | 149 Ų | 149 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | 83.2 | 125.6 | 138.4 | -90.2 | 177.3 | 103.8 | 0 | 0 | 123.1 | ||||
| 14 | N | 42.8 | Very low | 44.4 | Very low | 143 Ų | 143 | 145.1 Ų | 145.1 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | 81.6 | 115.6 | 136.8 | -64.5 | -18.9 | 0 | 0 | 0 | 120.6 | ||||
| 15 | G | 35.4 | Very low | 44 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | 137.2 | 136 | 104 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 16 | H | 43.3 | Very low | 44 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | trans | 92.4 | 90.8 | 154.4 | -135.4 | 56.9 | 0 | 0 | 0 | 116.2 | ||||
| 17 | E | 42.6 | Very low | 44.3 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | 75.7 | 124.3 | 76.6 | -70.1 | 172 | -151 | 0 | 0 | 113.4 | |||||
| 18 | G | 41 | Very low | 44 | Very low | 76 Ų | 76 | 137.1 Ų | 137.1 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | trans | 173.1 | 55.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 19 | E | 48.5 | Very low | 43.8 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | -53.2 | 144.5 | 150.6 | -62.9 | 173.1 | 165.7 | 0 | 0 | 107.1 | ||||
| 20 | E | 50 | Low | 43.5 | Very low | 183 Ų | 183 | 134 Ų | 134 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | -154.6 | 120.6 | 75.9 | -72.4 | 162.2 | -158.8 | 0 | 0 | 107.1 | |||||
| 21 | D | 45.5 | Very low | 42.7 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 68% | 0.684 | 75% | 0.753 | S | S | * | * | 56 | 107.1 | 81.4 | -82.8 | -15.6 | 0 | 0 | 0 | 113.4 | |||||
| 22 | F | 44.4 | Very low | 42.1 | Very low | 166 Ų | 166 | 132.9 Ų | 132.9 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | 176.7 | 126.5 | 94.4 | -128.8 | -139.3 | 0 | 0 | 0 | 111.8 | |||||
| 23 | N | 39.8 | Very low | 41.9 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | trans | 60.8 | 132.2 | 132.9 | -66.4 | -2.1 | 0 | 0 | 0 | 120.8 | ||||
| 24 | G | 39.1 | Very low | 42.5 | Very low | 69 Ų | 69 | 131 Ų | 131 | 71% | 0.711 | 76% | 0.761 | S | S | * | * | cis | 158.6 | 155.4 | 3.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 25 | A | 39.2 | Very low | 42.3 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | 74 | 80.8 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 26 | E | 48.5 | Very low | 42.2 | Very low | 182 Ų | 182 | 134.4 Ų | 134.4 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | -46.6 | 163.6 | 114.4 | -83.8 | -165.7 | 146.7 | 0 | 0 | 111.2 | |||||
| 27 | P | 54 | Low | 41.7 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | cis | -155.7 | -178 | 40.5 | 41.3 | -17.6 | 0 | 0 | 0 | 116.2 | ||||
| 28 | A | 40.6 | Very low | 41.3 | Very low | 91 Ų | 91 | 130.5 Ų | 130.5 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | 42.3 | 146.5 | 129.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 29 | D | 36.3 | Very low | 41.2 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | cis | 173.5 | 175.6 | 3.9 | 175 | 22.7 | 0 | 0 | 0 | 102.3 | ||||
| 30 | E | 37.5 | Very low | 40.5 | Very low | 154 Ų | 154 | 130.8 Ų | 130.8 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | trans | 75.8 | 138.5 | 162.9 | -53.2 | -168.8 | 171.3 | 0 | 0 | 114.2 | ||||
| 31 | T | 33.9 | Very low | 39.8 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | cis | -176.9 | 164.4 | 11.9 | 18.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 32 | E | 35.2 | Very low | 39.4 | Very low | 193 Ų | 193 | 130.1 Ų | 130.1 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | trans | 77.7 | 147.1 | 149.9 | -54.4 | -119.2 | 145.4 | 0 | 0 | 121.4 | ||||
| 33 | A | 37.6 | Very low | 38.9 | Very low | 88 Ų | 88 | 125.4 Ų | 125.4 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -98.2 | -143.1 | -162.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 34 | P | 57.7 | Low | 38.4 | Very low | 118 Ų | 118 | 125 Ų | 125 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | -110.6 | -157.5 | -85.7 | 33.7 | -15.8 | 0 | 0 | 0 | 112.4 | |||||
| 35 | N | 38.5 | Very low | 38.3 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 63% | 0.631 | 75% | 0.75 | S | S | * | * | trans | 96 | 112.1 | 170.4 | -88.5 | 27 | 0 | 0 | 0 | 118.1 | ||||
| 36 | E | 33.3 | Very low | 38.1 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | 87.2 | 136.5 | 67.8 | -76.7 | 177.2 | -162.5 | 0 | 0 | 112.4 | |||||
| 37 | G | 32.4 | Very low | 37.4 | Very low | 67 Ų | 67 | 127.7 Ų | 127.7 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | trans | 108.7 | 92 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 38 | E | 35.3 | Very low | 36.7 | Very low | 182 Ų | 182 | 130 Ų | 130 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | 64.1 | 113.5 | 81.6 | -64.2 | -173.7 | 176.4 | 0 | 0 | 113.7 | |||||
| 39 | A | 37.1 | Very low | 36.1 | Very low | 90 Ų | 90 | 131.9 Ų | 131.9 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | trans | 171 | 85.2 | 135.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 40 | E | 34.9 | Very low | 36 | Very low | 159 Ų | 159 | 129.7 Ų | 129.7 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | 37.4 | 122.5 | 101.1 | 33.5 | -177.8 | 131.9 | 0 | 0 | 116.2 | |||||
| 41 | T | 34.2 | Very low | 35.8 | Very low | 115 Ų | 115 | 130 Ų | 130 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | 153.2 | 115.2 | 119.1 | 48.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 42 | E | 38.9 | Very low | 35.7 | Very low | 182 Ų | 182 | 133.4 Ų | 133.4 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | 78.7 | 139.4 | 105.3 | -61.9 | -102.7 | 152.5 | 0 | 0 | 111.4 | |||||
| 43 | A | 33.8 | Very low | 35.4 | Very low | 66 Ų | 66 | 127.3 Ų | 127.3 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | cis | -179.2 | 146.6 | -4.6 | 0 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 44 | C | 28 | Very low | 34.9 | Very low | 120 Ų | 120 | 133 Ų | 133 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | 47.8 | 144.3 | 135.3 | -43.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 45 | V | 37.5 | Very low | 33.5 | Very low | 116 Ų | 116 | 130.8 Ų | 130.8 | 70% | 0.703 | 75% | 0.754 | S | S | * | * | cis | -168 | 143.2 | 38.4 | 177.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 46 | E | 34.7 | Very low | 33 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | trans | 0.9 | 144.6 | 141.3 | -40.5 | 173.6 | 130.6 | 0 | 0 | 119.2 | ||||
| 47 | D | 33.2 | Very low | 32.7 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | -176.3 | 160.3 | 93.8 | -164.1 | 30.7 | 0 | 0 | 0 | 112.6 | |||||
| 48 | K | 39.3 | Very low | 32.4 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | -71.2 | 169.2 | -164.1 | -60.4 | 153.2 | -171.4 | 153.2 | 0 | 115.5 | ||||
| 49 | T | 29.1 | Very low | 32 | Very low | 130 Ų | 130 | 132.2 Ų | 132.2 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | 156 | 114.8 | 119.7 | 44 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 50 | A | 33.6 | Very low | 31.5 | Very low | 88 Ų | 88 | 137.1 Ų | 137.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | 81.6 | 137.7 | 69.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 51 | L | 34.5 | Very low | 31.1 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 115.2 | 142.1 | 172.2 | -68.9 | 155.7 | 0 | 0 | 0 | 113.7 | ||||
| 52 | E | 30.9 | Very low | 31.1 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | cis | 174.8 | 156.7 | -36.4 | -108.1 | -174 | 167.9 | 0 | 0 | 106 | ||||
| 53 | G | 28 | Very low | 30.6 | Very low | 65 Ų | 65 | 136.2 Ų | 136.2 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | trans | 132.3 | 88.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 54 | E | 28.6 | Very low | 30.4 | Very low | 207 Ų | 207 | 141 Ų | 141 | 97% | 0.967 | 80% | 0.801 | S | S | * | * | 64.3 | 130.5 | 92.7 | -62.9 | -169.1 | 127.7 | 0 | 0 | 115 | |||||
| 55 | G | 27.3 | Very low | 30.3 | Very low | 71 Ų | 71 | 139 Ų | 139 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | cis | 175.5 | -176.6 | 4.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 56 | K | 29.2 | Very low | 30 | Very low | 221 Ų | 221 | 137.9 Ų | 137.9 | 96% | 0.961 | 80% | 0.803 | S | S | * | * | trans | 80.8 | 136.5 | 171.2 | -57.4 | -179.2 | 176.3 | -178.2 | 0 | 117.8 | ||||
| 57 | G | 26 | Very low | 29.7 | Very low | 68 Ų | 68 | 135.8 Ų | 135.8 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | cis | 165.3 | 150.6 | 0.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 58 | E | 27.2 | Very low | 30.2 | Very low | 207 Ų | 207 | 138.7 Ų | 138.7 | 97% | 0.967 | 82% | 0.816 | S | S | * | * | trans | 71 | 143.4 | 162.6 | -54 | 174.7 | -174.7 | 0 | 0 | 117.2 | ||||
| 59 | G | 26.1 | Very low | 30 | Very low | 73 Ų | 73 | 134.2 Ų | 134.2 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | cis | 148.9 | 115.5 | 11.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 60 | E | 27.1 | Very low | 30.4 | Very low | 194 Ų | 194 | 137.5 Ų | 137.5 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | 29.1 | 137.3 | 157.5 | -62.1 | 178.1 | 152.9 | 0 | 0 | 124.4 | ||||
| 61 | D | 25.4 | Very low | 30.9 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | 122.6 | 142.8 | 124.8 | -129.2 | -18.2 | 0 | 0 | 0 | 119.5 | |||||
| 62 | S | 34 | Very low | 31.3 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 69% | 0.685 | 81% | 0.805 | S | S | * | * | trans | -78.4 | 153.8 | -169.7 | -53.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 63 | Q | 29.2 | Very low | 32.5 | Very low | 190 Ų | 190 | 130.4 Ų | 130.4 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -179.2 | 103.1 | 131.8 | -100.9 | 168.7 | 2.3 | 0 | 0 | 107.4 | ||||
| 64 | N | 29 | Very low | 33.9 | Very low | 167 Ų | 167 | 128.6 Ų | 128.6 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | 54.9 | 106.6 | 78.3 | -130.3 | 8.6 | 0 | 0 | 0 | 113.8 | |||||
| 65 | G | 26.8 | Very low | 35 | Very low | 78 Ų | 78 | 124.9 Ų | 124.9 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -147.7 | 105.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 66 | A | 31.6 | Very low | 36.1 | Very low | 92 Ų | 92 | 123.3 Ų | 123.3 | 76% | 0.76 | 74% | 0.742 | S | S | * | * | trans | -67.3 | 148.6 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 67 | S | 28.7 | Very low | 36.9 | Very low | 120 Ų | 120 | 117.2 Ų | 117.2 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | trans | -144.5 | 92.4 | 142.5 | 179 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 68 | E | 42.4 | Very low | 37.9 | Very low | 192 Ų | 192 | 121.8 Ų | 121.8 | 90% | 0.897 | 73% | 0.728 | S | S | * | * | trans | -65.1 | 126.3 | 165.5 | -65.3 | 179.1 | 135.3 | 0 | 0 | 109.2 | ||||
| 69 | G | 35.4 | Very low | 38.9 | Very low | 63 Ų | 63 | 115.3 Ų | 115.3 | 65% | 0.649 | 72% | 0.716 | S | S | * | * | trans | 166.2 | 126.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 70 | E | 38 | Very low | 40.1 | Very low | 200 Ų | 200 | 120 Ų | 120 | 94% | 0.935 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 81.3 | 127 | 165.7 | -70.4 | -179 | 88.7 | 0 | 0 | 118.4 | G72 | E70-G72 VanDerWaalsContact C-N 3.34Å; E70-G72 PolarHBondContact O-N 2.92Å |
| 71 | G | 44.2 | Very low | 41.3 | Very low | 72 Ų | 72 | 114.7 Ų | 114.7 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | trans | -60.9 | 91.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q73 | G71-Q73 PolarHBondContact O-N 2.78Å; G71-Q73 VanDerWaalsContact O-N 3.08Å | ||
| 72 | G | 42.7 | Very low | 43 | Very low | 47 Ų | 47 | 109.5 Ų | 109.5 | 49% | 0.485 | 67% | 0.666 | S | S | . | * | trans | -43.7 | 115.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E70 I74 | E70-G72 VanDerWaalsContact C-N 3.34Å; E70-G72 PolarHBondContact O-N 2.92Å; G72-I74 PolarHBondContact O-N 3.47Å | ||
| 73 | Q | 55.2 | Low | 44.5 | Very low | 165 Ų | 165 | 107.5 Ų | 107.5 | 77% | 0.771 | 66% | 0.656 | S | S | * | * | trans | -60.9 | 119.5 | 162.1 | -65.3 | 174.4 | -59.2 | 0 | 0 | 105.9 | G71 N75 | G71-Q73 PolarHBondContact O-N 2.78Å; G71-Q73 VanDerWaalsContact O-N 3.08Å; Q73-N75 PolarHBondContact O-N 3.46Å | ||
| 74 | I | 58.5 | Low | 46.8 | Very low | 26 Ų | 26 | 98.7 Ų | 98.7 | 13% | 0.133 | 62% | 0.616 | C | S | . | * | trans | -53.5 | 110.6 | 163.3 | 35.6 | 172.4 | 0 | 0 | 0 | 107.4 | G72 A76 K85 D112 F129 | G72-I74 PolarHBondContact O-N 3.47Å; I74-A76 PolarHBondContact O-N 2.81Å; I74-K85 HydrophobicContact CD1-CD 3.74Å; I74-K85 HydrophobicContact CD1-CG 4.21Å; I74-D112 HydrophobicContact CG2-CB 3.91Å; I74-D112 WeakPolarHBondContact CG2-OD2 3.34Å; I74-F129 HydrophobicContact CD1-CB 4.13Å | ||
| 75 | N | 51.5 | Low | 49.6 | Very low | 130 Ų | 130 | 92.3 Ų | 92.3 | 70% | 0.695 | 58% | 0.58 | S | S | * | * | trans | -69.9 | 79.8 | 177.7 | -76.7 | -34.5 | 0 | 0 | 0 | 108.5 | Q73 S77 | Q73-N75 PolarHBondContact O-N 3.46Å; N75-S77 VanDerWaalsContact C-N 3.31Å; N75-S77 PolarHBondContact O-N 3.06Å | ||
| 76 | A | 51.1 | Low | 52.6 | Low | 38 Ų | 38 | 88.6 Ų | 88.6 | 31% | 0.314 | 54% | 0.541 | S | S | . | . | trans | -86.2 | 79.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | I74 E81 | I74-A76 PolarHBondContact O-N 2.81Å; A76-E81 WeakPolarHBondContact CA-OE2 3.38Å | ||
| 77 | S | 45.9 | Very low | 55.4 | Low | 93 Ų | 93 | 87.1 Ų | 87.1 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | trans | -112.6 | 55.1 | -180 | 43.6 | 0 | 0 | 0 | 0 | 110.7 | N75 E81 | N75-S77 VanDerWaalsContact C-N 3.31Å; N75-S77 PolarHBondContact O-N 3.06Å; S77-E81 PolarHBondContact N-OE2 3.37Å | ||
| 78 | K | 47 | Very low | 58.4 | Low | 164 Ų | 164 | 81.4 Ų | 81.4 | 71% | 0.713 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -177.3 | 140.7 | 150.8 | -106.4 | 161.6 | 178.8 | -179.9 | 0 | 108.6 | E80 E81 | K78-E80 PolarHBondContact O-N 2.97Å; K78-E81 PolarHBondContact O-N 3.42Å |
| 79 | G | 46.6 | Very low | 60.7 | Low | 71 Ų | 71 | 72.7 Ų | 72.7 | 73% | 0.732 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 4 | -171.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 80 | E | 51.7 | Low | 63.3 | Low | 170 Ų | 170 | 71 Ų | 71 | 79% | 0.794 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -24.6 | 169.7 | -82.6 | 174.8 | 123.8 | 0 | 0 | 113.1 | K78 D82 A83 | K78-E80 PolarHBondContact O-N 2.97Å; E80-D82 PolarHBondContact O-N 3.22Å; E80-A83 PolarHBondContact O-N 3.41Å |
| 81 | E | 53.3 | Low | 65.9 | Low | 83 Ų | 83 | 61.4 Ų | 61.4 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -10.5 | -179.1 | -62.1 | 178.6 | 165.2 | 0 | 0 | 112.8 | A76 S77 K78 A83 G84 L131 | A76-E81 WeakPolarHBondContact CA-OE2 3.38Å; S77-E81 PolarHBondContact N-OE2 3.37Å; K78-E81 PolarHBondContact O-N 3.42Å; E81-A83 VanDerWaalsContact C-N 3.27Å; E81-A83 PolarHBondContact O-N 3.19Å; E81-G84 PolarHBondContact O-N 2.8Å; E81-L131 WeakPolarHBondContact O-CD1 3.34Å |
| 82 | D | 60.2 | Low | 68.1 | Low | 41 Ų | 41 | 59.1 Ų | 59.1 | 22% | 0.219 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -29.3 | 171.1 | -78.3 | -31 | 0 | 0 | 0 | 111.6 | E80 G84 K85 A161 | E80-D82 PolarHBondContact O-N 3.22Å; D82-G84 VanDerWaalsContact C-N 3.32Å; D82-G84 PolarHBondContact O-N 3.29Å; D82-K85 PolarHBondContact O-N 2.6Å; D82-A161 WeakPolarHBondContact OD1-CB 3.19Å |
| 83 | A | 66.5 | Low | 70.3 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 46% | 0.463 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -30.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E80 E81 K85 A135 V138 | E80-A83 PolarHBondContact O-N 3.41Å; E81-A83 VanDerWaalsContact C-N 3.27Å; E81-A83 PolarHBondContact O-N 3.19Å; A83-K85 VanDerWaalsContact C-N 3.33Å; A83-A135 HydrophobicContact CB-CB 3.99Å; A83-V138 WeakPolarHBondContact O-CG2 3.26Å |
| 84 | G | 77.3 | Confident | 71.9 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 5% | 0.052 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -9.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E81 D82 F132 | E81-G84 PolarHBondContact O-N 2.8Å; D82-G84 VanDerWaalsContact C-N 3.32Å; D82-G84 PolarHBondContact O-N 3.29Å; G84-F132 PolarHBondContact O-N 2.84Å |
| 85 | K | 87.6 | Confident | 73.3 | Confident | 32 Ų | 32 | 60.8 Ų | 60.8 | 14% | 0.139 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 129.1 | -173.2 | -167.3 | 179.1 | 166.2 | 163.1 | 0 | 112 | I74 D82 A83 I130 L131 A159 | I74-K85 HydrophobicContact CD1-CD 3.74Å; I74-K85 HydrophobicContact CD1-CG 4.21Å; D82-K85 PolarHBondContact O-N 2.6Å; A83-K85 VanDerWaalsContact C-N 3.33Å; K85-I130 CarbonylContact C-O 3.59Å; K85-I130 WeakPolarHBondContact CA-O 3.49Å; K85-L131 HydrophobicContact CB-CD1 4.04Å; K85-A159 HydrophobicContact CB-CB 4.01Å; K85-A159 HydrophobicContact CD-CB 4.06Å; K85-A159 HydrophobicContact CG-CB 3.61Å; K85-A159 WeakPolarHBondContact O-CB 3.5Å; K85-A159 PolarHBondContact O-N 2.85Å |
| 86 | M | 88.9 | Confident | 75.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 138.5 | -179.4 | -77.4 | -71.2 | -86.1 | 0 | 0 | 111.4 | F129 I130 F132 V138 V141 L142 P156 K158 | M86-F129 CarbonylContact O-C 3.6Å; M86-F129 VanDerWaalsContact O-CA 3.24Å; M86-F129 WeakPolarHBondContact O-CA 3.24Å; M86-I130 PolarHBondContact N-O 3.46Å; M86-I130 PolarHBondContact O-N 2.78Å; M86-F132 HydrophobicContact CG-CD2 4.32Å; M86-F132 HydrophobicContact CG-CE2 4.24Å; M86-V138 HydrophobicContact CE-CG1 4.12Å; M86-V138 HydrophobicContact CG-CB 4.05Å; M86-V138 HydrophobicContact CG-CG1 3.77Å; M86-V138 HydrophobicContact CG-CG2 3.47Å; M86-V138 VanDerWaalsContact CG-CG2 3.47Å; M86-V138 HydrophobicContact SD-CB 4.23Å; M86-V138 HydrophobicContact SD-CG1 3.32Å; M86-V138 WeakPolarHBondContact SD-CG1 3.47Å; M86-V138 HydrophobicContact SD-CG2 4.24Å; M86-V141 HydrophobicContact CE-CB 4.2Å; M86-V141 HydrophobicContact CE-CG1 3.7Å; M86-L142 HydrophobicContact CE-CD1 4.43Å; M86-L142 HydrophobicContact CE-CD2 3.84Å; M86-L142 HydrophobicContact CE-CG 3.89Å; M86-P156 HydrophobicContact CE-CB 3.83Å; M86-K158 VanDerWaalsContact SD-CA 3.51Å; M86-K158 HydrophobicContact SD-CG 4.29Å |
| 87 | F | 91.1 | Very high | 77.1 | Confident | 61 Ų | 61 | 59.9 Ų | 59.9 | 27% | 0.268 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 134.3 | 166.8 | 168.8 | -93 | 0 | 0 | 0 | 108.2 | F127 F129 P156 K157 A159 | F87-F127 HydrophobicContact CD2-CD2 4.46Å; F87-F127 HydrophobicContact CE2-CB 3.88Å; F87-F127 AromaticContact CE2-CD2 3.63Å; F87-F127 HydrophobicContact CE2-CD2 3.63Å; F87-F127 HydrophobicContact CE2-CE2 4.44Å; F87-F127 AromaticContact CE2-CG 4Å; F87-F127 HydrophobicContact CE2-CG 4Å; F87-F127 HydrophobicContact CZ-CB 3.91Å; F87-F127 HydrophobicContact CZ-CD2 4.42Å; F87-F127 HydrophobicContact CZ-CG 4.35Å; F87-F129 HydrophobicContact CB-CD1 4.32Å; F87-F129 HydrophobicContact CB-CE1 4.16Å; F87-F129 HydrophobicContact CD2-CD1 4.4Å; F87-F129 AromaticContact CD2-CE1 3.81Å; F87-F129 HydrophobicContact CD2-CE1 3.81Å; F87-F129 HydrophobicContact CD2-CZ 4Å; F87-F129 HydrophobicContact CG-CE1 4.49Å; F87-P156 CarbonylContact O-C 3.58Å; F87-P156 VanDerWaalsContact O-CA 3.28Å; F87-P156 WeakPolarHBondContact O-CA 3.44Å; F87-K157 HydrophobicContact CD1-CB 4.37Å; F87-K157 PolarHBondContact N-O 3.49Å; F87-K157 PolarHBondContact O-N 3.38Å; F87-A159 HydrophobicContact CB-CB 4.42Å |
| 88 | V | 91.1 | Very high | 79.2 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 108.6 | 176.4 | -172 | 0 | 0 | 0 | 0 | 108.8 | L91 L100 F104 F127 G128 I130 I154 P156 | V88-L91 HydrophobicContact CG1-CD1 4.47Å; V88-L91 HydrophobicContact CG1-CD2 3.79Å; V88-L91 HydrophobicContact CG1-CG 4.14Å; V88-L100 HydrophobicContact CB-CD2 4.49Å; V88-L100 HydrophobicContact CG1-CD2 4.32Å; V88-F104 HydrophobicContact CB-CZ 4.46Å; V88-F104 HydrophobicContact CG1-CE2 4.03Å; V88-F104 HydrophobicContact CG1-CZ 3.86Å; V88-F104 HydrophobicContact CG2-CE1 4.4Å; V88-F104 HydrophobicContact CG2-CE2 3.98Å; V88-F104 HydrophobicContact CG2-CZ 3.68Å; V88-F127 CarbonylContact O-C 3.42Å; V88-F127 VanDerWaalsContact O-CA 3.22Å; V88-F127 WeakPolarHBondContact O-CA 3.29Å; V88-F127 WeakPolarHBondContact O-CB 3.4Å; V88-G128 PolarHBondContact N-O 3.24Å; V88-G128 PolarHBondContact O-N 3.39Å; V88-I130 HydrophobicContact CG2-CD1 3.66Å; V88-I130 HydrophobicContact CG2-CG1 3.94Å; V88-I154 HydrophobicContact CG1-CB 4.14Å; V88-I154 HydrophobicContact CG1-CD1 3.99Å; V88-I154 HydrophobicContact CG1-CG1 4.39Å; V88-P156 HydrophobicContact CG2-CB 4.45Å |
| 89 | G | 91.6 | Very high | 81.3 | Confident | 9 Ų | 9 | 57.1 Ų | 57.1 | 9% | 0.093 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 162.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L91 I154 D155 | G89-L91 PolarHBondContact O-N 3.08Å; G89-I154 CarbonylContact O-C 3.59Å; G89-I154 VanDerWaalsContact O-CA 3.31Å; G89-I154 WeakPolarHBondContact O-CA 3.44Å; G89-I154 WeakPolarHBondContact O-CB 3.31Å; G89-D155 PolarHBondContact N-O 2.88Å; G89-D155 PolarHBondContact O-N 2.82Å |
| 90 | G | 90.4 | Very high | 83.4 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 28% | 0.278 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 78 | 17.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | G126 R152 | G90-G126 PolarHBondContact N-O 3.44Å; G90-R152 WeakPolarHBondContact O-CD 3.29Å; G90-R152 VanDerWaalsContact O-CG 3.3Å; G90-R152 WeakPolarHBondContact O-CG 3.47Å; G90-R152 PolarHBondContact O-NE 3.01Å |
| 91 | L | 91.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -64.4 | 152.1 | 176.7 | -62.3 | 169.4 | 0 | 0 | 0 | 111.4 | V88 G89 T95 L100 G126 L149 R152 I154 | V88-L91 HydrophobicContact CG1-CD1 4.47Å; V88-L91 HydrophobicContact CG1-CD2 3.79Å; V88-L91 HydrophobicContact CG1-CG 4.14Å; G89-L91 PolarHBondContact O-N 3.08Å; L91-T95 HydrophobicContact CD2-CG2 4.17Å; L91-L100 HydrophobicContact CD1-CD1 3.82Å; L91-L100 HydrophobicContact CD1-CD2 4.11Å; L91-L100 HydrophobicContact CD1-CG 4.38Å; L91-L100 HydrophobicContact CD2-CD2 3.75Å; L91-L100 HydrophobicContact CD2-CG 4.21Å; L91-G126 PolarHBondContact N-O 3.16Å; L91-G126 WeakPolarHBondContact O-CA 3.14Å; L91-L149 HydrophobicContact CD2-CD2 4.1Å; L91-R152 PolarHBondContact O-NH1 2.95Å; L91-I154 HydrophobicContact CD2-CG2 3.84Å | ||
| 92 | S | 90.9 | Very high | 87.1 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | trans | -66.2 | 156.8 | 169.9 | -165.5 | 0 | 0 | 0 | 0 | 110 | D94 T95 | S92-D94 PolarHBondContact O-N 3.4Å; S92-T95 VanDerWaalsContact CB-OG1 3.23Å; S92-T95 WeakPolarHBondContact CB-OG1 3.3Å; S92-T95 PolarHBondContact N-OG1 3.12Å; S92-T95 VanDerWaalsContact N-OG1 3.16Å; S92-T95 WeakPolarHBondContact O-CB 3.22Å; S92-T95 PolarHBondContact O-N 2.88Å; S92-T95 PolarHBondContact O-OG1 3.22Å | ||
| 93 | W | 89.5 | Confident | 88.5 | Confident | 126 Ų | 126 | 50.4 Ų | 50.4 | 48% | 0.477 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -25.4 | 176.6 | -63.6 | -41.8 | 0 | 0 | 0 | 112.4 | R123 S124 | W93-R123 VanDerWaalsContact CD2-NH2 3.3Å; W93-S124 VanDerWaalsContact O-CB 3.26Å; W93-S124 WeakPolarHBondContact O-CB 3.41Å |
| 94 | D | 88.3 | Confident | 89.7 | Confident | 141 Ų | 141 | 47.7 Ų | 47.7 | 75% | 0.754 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -3.2 | -178.5 | -51.4 | -51.1 | 0 | 0 | 0 | 112.5 | S92 S96 | S92-D94 PolarHBondContact O-N 3.4Å; D94-S96 PolarHBondContact O-N 3.45Å |
| 95 | T | 88.2 | Confident | 90.3 | Very high | 6 Ų | 6 | 50.1 Ų | 50.1 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | trans | -62.1 | 127.6 | 176.9 | -63.1 | 0 | 0 | 0 | 0 | 110.1 | L91 S92 D99 L100 I115 L149 D150 | L91-T95 HydrophobicContact CD2-CG2 4.17Å; S92-T95 VanDerWaalsContact CB-OG1 3.23Å; S92-T95 WeakPolarHBondContact CB-OG1 3.3Å; S92-T95 PolarHBondContact N-OG1 3.12Å; S92-T95 VanDerWaalsContact N-OG1 3.16Å; S92-T95 WeakPolarHBondContact O-CB 3.22Å; S92-T95 PolarHBondContact O-N 2.88Å; S92-T95 PolarHBondContact O-OG1 3.22Å; T95-D99 HydrophobicContact CG2-CB 4.4Å; T95-L100 HydrophobicContact CG2-CD1 4.2Å; T95-L100 HydrophobicContact CG2-CG 4.03Å; T95-I115 HydrophobicContact CG2-CD1 4.47Å; T95-I115 WeakPolarHBondContact O-CD1 3.44Å; T95-L149 HydrophobicContact CG2-CD2 3.29Å; T95-D150 WeakPolarHBondContact CB-OD2 3.3Å; T95-D150 PolarHBondContact OG1-OD2 3.35Å | ||
| 96 | S | 90.4 | Very high | 90.4 | Very high | 46 Ų | 46 | 56.2 Ų | 56.2 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | trans | -98.5 | 166.2 | 178.3 | 79.1 | 0 | 0 | 0 | 0 | 112.8 | D94 K98 D99 L100 I115 | D94-S96 PolarHBondContact O-N 3.45Å; S96-K98 PolarHBondContact O-N 2.89Å; S96-K98 PolarHBondContact OG-N 2.67Å; S96-D99 VanDerWaalsContact CB-OD2 3.28Å; S96-D99 WeakPolarHBondContact CB-OD2 3.49Å; S96-D99 PolarHBondContact N-OD2 3.27Å; S96-D99 PolarHBondContact O-N 3.21Å; S96-D99 VanDerWaalsContact OG-CG 3.22Å; S96-D99 PolarHBondContact OG-N 3.21Å; S96-D99 PolarHBondContact OG-OD2 2.59Å; S96-L100 PolarHBondContact O-N 3.18Å; S96-I115 VanDerWaalsContact C-CD1 3.45Å | ||
| 97 | K | 90.3 | Very high | 90.4 | Very high | 104 Ų | 104 | 57.4 Ų | 57.4 | 45% | 0.452 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.3 | -34.9 | 174.9 | -177.1 | 176.8 | 171.5 | 156.2 | 0 | 111.2 | K101 D112 C113 | K97-K101 WeakPolarHBondContact O-CB 3.28Å; K97-K101 PolarHBondContact O-N 3.36Å; K97-D112 WeakPolarHBondContact CE-OD1 3.18Å; K97-D112 IonicContact NZ-OD1 2.78Å; K97-D112 PolarHBondContact NZ-OD1 3.47Å; K97-C113 WeakPolarHBondContact CD-O 3.44Å; K97-C113 WeakPolarHBondContact CE-O 3.35Å; K97-C113 WeakPolarHBondContact CE-SG 3.41Å; K97-C113 HydrophobicContact CG-CB 4.16Å; K97-C113 WeakPolarHBondContact CG-SG 3.46Å; K97-C113 PolarHBondContact NZ-O 3.5Å |
| 98 | K | 91.1 | Very high | 90.2 | Very high | 142 Ų | 142 | 55.4 Ų | 55.4 | 62% | 0.617 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -66.6 | -47.4 | 178.9 | -174.1 | -179.6 | 175.9 | -175.7 | 0 | 111.2 | S96 L100 K101 D102 | S96-K98 PolarHBondContact O-N 2.89Å; S96-K98 PolarHBondContact OG-N 2.67Å; K98-L100 VanDerWaalsContact C-N 3.31Å; K98-L100 PolarHBondContact O-N 3.27Å; K98-K101 WeakPolarHBondContact O-CB 3.05Å; K98-K101 PolarHBondContact O-N 3.4Å; K98-D102 WeakPolarHBondContact O-CB 2.87Å; K98-D102 VanDerWaalsContact O-CG 3.26Å; K98-D102 PolarHBondContact O-N 3.01Å |
| 99 | D | 90.9 | Very high | 90.2 | Very high | 56 Ų | 56 | 61 Ų | 61 | 30% | 0.299 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | -178.8 | -50.5 | -46.8 | 0 | 0 | 0 | 111.6 | T95 S96 Y103 | T95-D99 HydrophobicContact CG2-CB 4.4Å; S96-D99 VanDerWaalsContact CB-OD2 3.28Å; S96-D99 WeakPolarHBondContact CB-OD2 3.49Å; S96-D99 PolarHBondContact N-OD2 3.27Å; S96-D99 PolarHBondContact O-N 3.21Å; S96-D99 VanDerWaalsContact OG-CG 3.22Å; S96-D99 PolarHBondContact OG-N 3.21Å; S96-D99 PolarHBondContact OG-OD2 2.59Å; D99-Y103 VanDerWaalsContact O-CB 3.3Å; D99-Y103 WeakPolarHBondContact O-CB 3.49Å; D99-Y103 PolarHBondContact O-N 3.3Å |
| 100 | L | 90.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.5 | -51.4 | 170.5 | -90.1 | 158.4 | 0 | 0 | 0 | 111.6 | V88 L91 T95 S96 K98 D102 Y103 F104 I115 I130 | V88-L100 HydrophobicContact CB-CD2 4.49Å; V88-L100 HydrophobicContact CG1-CD2 4.32Å; L91-L100 HydrophobicContact CD1-CD1 3.82Å; L91-L100 HydrophobicContact CD1-CD2 4.11Å; L91-L100 HydrophobicContact CD1-CG 4.38Å; L91-L100 HydrophobicContact CD2-CD2 3.75Å; L91-L100 HydrophobicContact CD2-CG 4.21Å; T95-L100 HydrophobicContact CG2-CD1 4.2Å; T95-L100 HydrophobicContact CG2-CG 4.03Å; S96-L100 PolarHBondContact O-N 3.18Å; K98-L100 VanDerWaalsContact C-N 3.31Å; K98-L100 PolarHBondContact O-N 3.27Å; L100-D102 PolarHBondContact O-N 2.97Å; L100-Y103 PolarHBondContact O-N 3.3Å; L100-F104 HydrophobicContact CD2-CD2 3.93Å; L100-F104 HydrophobicContact CD2-CE2 3.66Å; L100-F104 WeakPolarHBondContact O-CB 3.18Å; L100-F104 VanDerWaalsContact O-CD2 3.28Å; L100-F104 WeakPolarHBondContact O-CD2 3.24Å; L100-F104 PolarHBondContact O-N 2.93Å; L100-I115 HydrophobicContact CD1-CD1 3.59Å; L100-I115 HydrophobicContact CD1-CG1 3.43Å; L100-I115 VanDerWaalsContact CD1-CG1 3.43Å; L100-I130 HydrophobicContact CD2-CD1 3.71Å; L100-I130 HydrophobicContact CD2-CG1 4.28Å |
| 101 | K | 91 | Very high | 90.1 | Very high | 95 Ų | 95 | 63.6 Ų | 63.6 | 41% | 0.413 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.6 | -48.5 | -179.7 | -168.6 | 175.8 | -179.2 | 176.6 | 0 | 111 | K97 K98 Y103 F104 S105 V110 | K97-K101 WeakPolarHBondContact O-CB 3.28Å; K97-K101 PolarHBondContact O-N 3.36Å; K98-K101 WeakPolarHBondContact O-CB 3.05Å; K98-K101 PolarHBondContact O-N 3.4Å; K101-Y103 VanDerWaalsContact C-N 3.33Å; K101-Y103 PolarHBondContact O-N 2.76Å; K101-F104 PolarHBondContact O-N 2.96Å; K101-S105 VanDerWaalsContact O-CB 3.22Å; K101-S105 WeakPolarHBondContact O-CB 3.3Å; K101-S105 PolarHBondContact O-N 3.23Å; K101-S105 PolarHBondContact O-OG 3.48Å; K101-V110 HydrophobicContact CG-CB 4.18Å; K101-V110 HydrophobicContact CG-CG1 4.27Å |
| 102 | D | 91.8 | Very high | 89.9 | Confident | 88 Ų | 88 | 65.7 Ų | 65.7 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | -176.9 | -67.8 | -10.2 | 0 | 0 | 0 | 111.5 | K98 L100 | K98-D102 WeakPolarHBondContact O-CB 2.87Å; K98-D102 VanDerWaalsContact O-CG 3.26Å; K98-D102 PolarHBondContact O-N 3.01Å; L100-D102 PolarHBondContact O-N 2.97Å |
| 103 | Y | 91.1 | Very high | 89.8 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.1 | -49.1 | 176.1 | -177.1 | -96.8 | 0 | 0 | 0 | 112.5 | D99 L100 K101 S105 K106 F107 H147 R148 L149 I154 | D99-Y103 VanDerWaalsContact O-CB 3.3Å; D99-Y103 WeakPolarHBondContact O-CB 3.49Å; D99-Y103 PolarHBondContact O-N 3.3Å; L100-Y103 PolarHBondContact O-N 3.3Å; K101-Y103 VanDerWaalsContact C-N 3.33Å; K101-Y103 PolarHBondContact O-N 2.76Å; Y103-S105 VanDerWaalsContact C-N 3.33Å; Y103-S105 PolarHBondContact O-N 3.49Å; Y103-K106 WeakPolarHBondContact O-CG 3.41Å; Y103-K106 PolarHBondContact O-N 2.81Å; Y103-F107 HydrophobicContact CD1-CE2 4.44Å; Y103-F107 HydrophobicContact CE1-CE2 4.02Å; Y103-H147 HydrophobicContact CE1-CB 4.28Å; Y103-H147 AromaticContact CE1-ND1 3.77Å; Y103-H147 AromaticContact CZ-ND1 3.89Å; Y103-H147 WeakPolarHBondContact OH-CB 3.35Å; Y103-H147 PolarHBondContact OH-ND1 2.76Å; Y103-H147 VanDerWaalsContact OH-ND1 3.12Å; Y103-R148 WeakPolarHBondContact CE2-O 3.22Å; Y103-R148 PolarHBondContact OH-N 3.47Å; Y103-L149 HydrophobicContact CD1-CD1 4.04Å; Y103-L149 HydrophobicContact CD2-CD1 3.8Å; Y103-L149 HydrophobicContact CG-CD1 3.44Å; Y103-L149 VanDerWaalsContact CG-CD1 3.44Å; Y103-I154 HydrophobicContact CD1-CD1 4.23Å; Y103-I154 HydrophobicContact CE1-CD1 3.85Å |
| 104 | F | 90.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -77.5 | -19.2 | -175.4 | -77.8 | -80.8 | 0 | 0 | 0 | 113.4 | V88 L100 K101 K106 F107 G108 V110 I130 F132 V141 I154 P156 | V88-F104 HydrophobicContact CB-CZ 4.46Å; V88-F104 HydrophobicContact CG1-CE2 4.03Å; V88-F104 HydrophobicContact CG1-CZ 3.86Å; V88-F104 HydrophobicContact CG2-CE1 4.4Å; V88-F104 HydrophobicContact CG2-CE2 3.98Å; V88-F104 HydrophobicContact CG2-CZ 3.68Å; L100-F104 HydrophobicContact CD2-CD2 3.93Å; L100-F104 HydrophobicContact CD2-CE2 3.66Å; L100-F104 WeakPolarHBondContact O-CB 3.18Å; L100-F104 VanDerWaalsContact O-CD2 3.28Å; L100-F104 WeakPolarHBondContact O-CD2 3.24Å; L100-F104 PolarHBondContact O-N 2.93Å; K101-F104 PolarHBondContact O-N 2.96Å; F104-K106 PolarHBondContact O-N 3.12Å; F104-K106 VanDerWaalsContact O-N 3.08Å; F104-F107 HydrophobicContact CD1-CD2 4.4Å; F104-F107 PolarHBondContact O-N 2.97Å; F104-G108 PolarHBondContact O-N 2.81Å; F104-V110 HydrophobicContact CB-CG2 3.92Å; F104-I130 HydrophobicContact CB-CD1 3.88Å; F104-I130 HydrophobicContact CD1-CD1 3.95Å; F104-I130 HydrophobicContact CD2-CD1 3Å; F104-I130 HydrophobicContact CE1-CD1 4.23Å; F104-I130 HydrophobicContact CE2-CD1 3.36Å; F104-I130 HydrophobicContact CG-CD1 3.31Å; F104-I130 HydrophobicContact CZ-CD1 3.96Å; F104-F132 HydrophobicContact CB-CE1 4.37Å; F104-F132 HydrophobicContact CB-CZ 3.92Å; F104-F132 HydrophobicContact CD1-CE2 4.47Å; F104-F132 AromaticContact CD1-CZ 3.95Å; F104-F132 HydrophobicContact CD1-CZ 3.95Å; F104-F132 HydrophobicContact CG-CZ 4.36Å; F104-F132 WeakPolarHBondContact O-CE1 3.28Å; F104-V141 HydrophobicContact CD1-CG1 4.46Å; F104-V141 HydrophobicContact CD1-CG2 3.8Å; F104-V141 HydrophobicContact CE1-CG1 3.82Å; F104-V141 HydrophobicContact CE1-CG2 3.99Å; F104-I154 HydrophobicContact CE2-CD1 3.79Å; F104-I154 HydrophobicContact CZ-CD1 3.59Å; F104-P156 HydrophobicContact CE1-CB 4.36Å; F104-P156 HydrophobicContact CZ-CB 4.41Å |
| 105 | S | 90.3 | Very high | 90 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 39% | 0.392 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -18.7 | 172.5 | -66.2 | 0 | 0 | 0 | 0 | 113.5 | K101 Y103 F107 G108 | K101-S105 VanDerWaalsContact O-CB 3.22Å; K101-S105 WeakPolarHBondContact O-CB 3.3Å; K101-S105 PolarHBondContact O-N 3.23Å; K101-S105 PolarHBondContact O-OG 3.48Å; Y103-S105 VanDerWaalsContact C-N 3.33Å; Y103-S105 PolarHBondContact O-N 3.49Å; S105-F107 VanDerWaalsContact C-N 3.28Å; S105-F107 PolarHBondContact O-N 3.46Å; S105-G108 VanDerWaalsContact CA-O 3.3Å; S105-G108 WeakPolarHBondContact CA-O 3.44Å |
| 106 | K | 90.1 | Very high | 90 | Very high | 160 Ų | 160 | 57.1 Ų | 57.1 | 70% | 0.696 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -24.5 | 175 | -61.5 | 176.9 | -176.1 | 178.3 | 0 | 113.4 | Y103 F104 | Y103-K106 WeakPolarHBondContact O-CG 3.41Å; Y103-K106 PolarHBondContact O-N 2.81Å; F104-K106 PolarHBondContact O-N 3.12Å; F104-K106 VanDerWaalsContact O-N 3.08Å |
| 107 | F | 88.4 | Confident | 90 | Very high | 24 Ų | 24 | 60.5 Ų | 60.5 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -27.8 | -176.6 | -57.2 | -81.6 | 0 | 0 | 0 | 111.8 | Y103 F104 S105 K140 V141 Q144 H147 | Y103-F107 HydrophobicContact CD1-CE2 4.44Å; Y103-F107 HydrophobicContact CE1-CE2 4.02Å; F104-F107 HydrophobicContact CD1-CD2 4.4Å; F104-F107 PolarHBondContact O-N 2.97Å; S105-F107 VanDerWaalsContact C-N 3.28Å; S105-F107 PolarHBondContact O-N 3.46Å; F107-K140 HydrophobicContact CB-CB 4.32Å; F107-K140 HydrophobicContact CD1-CB 4.34Å; F107-K140 WeakPolarHBondContact O-CD 3.37Å; F107-V141 HydrophobicContact CB-CG2 3.59Å; F107-V141 HydrophobicContact CD1-CG2 4.25Å; F107-V141 HydrophobicContact CD2-CG2 3.9Å; F107-V141 HydrophobicContact CG-CG2 3.64Å; F107-Q144 VanDerWaalsContact CE1-CD 3.45Å; F107-Q144 HydrophobicContact CE1-CG 4.23Å; F107-Q144 VanDerWaalsContact CE1-OE1 3.31Å; F107-H147 AromaticContact CZ-CE1 3.74Å; F107-H147 AromaticContact CZ-ND1 3.98Å |
| 108 | G | 87.8 | Confident | 90 | Very high | 20 Ų | 20 | 58.3 Ų | 58.3 | 21% | 0.206 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -179.1 | 170.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F104 S105 V110 | F104-G108 PolarHBondContact O-N 2.81Å; S105-G108 VanDerWaalsContact CA-O 3.3Å; S105-G108 WeakPolarHBondContact CA-O 3.44Å; G108-V110 PolarHBondContact O-N 3.32Å |
| 109 | E | 90.1 | Very high | 89.8 | Confident | 118 Ų | 118 | 61 Ų | 61 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | trans | -67.3 | 119.4 | 177.1 | -168.3 | -178.6 | 155 | 0 | 0 | 110.4 | F132 K133 | E109-F132 WeakPolarHBondContact O-CA 3.19Å; E109-K133 HydrophobicContact CB-CB 4.2Å; E109-K133 HydrophobicContact CB-CD 4.32Å; E109-K133 HydrophobicContact CG-CB 4.5Å; E109-K133 HydrophobicContact CG-CD 4.13Å; E109-K133 PolarHBondContact O-N 3.13Å; E109-K133 WeakPolarHBondContact OE1-CD 3.36Å; E109-K133 IonicContact OE1-NZ 2.75Å; E109-K133 PolarHBondContact OE1-NZ 3.49Å; E109-K133 WeakPolarHBondContact OE2-CD 3.19Å; E109-K133 IonicContact OE2-NZ 2.92Å; E109-K133 PolarHBondContact OE2-NZ 2.87Å | ||
| 110 | V | 90.9 | Very high | 89.4 | Confident | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.042 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 113.3 | 178.6 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | K101 F104 G108 D112 C113 I130 L131 F132 | K101-V110 HydrophobicContact CG-CB 4.18Å; K101-V110 HydrophobicContact CG-CG1 4.27Å; F104-V110 HydrophobicContact CB-CG2 3.92Å; G108-V110 PolarHBondContact O-N 3.32Å; V110-D112 WeakPolarHBondContact CG1-O 3.36Å; V110-C113 HydrophobicContact CG1-CB 4.43Å; V110-I130 HydrophobicContact CB-CG2 4.39Å; V110-I130 HydrophobicContact CG1-CG2 3.58Å; V110-I130 HydrophobicContact CG2-CG2 3.93Å; V110-L131 CarbonylContact C-O 3.53Å; V110-F132 HydrophobicContact CG2-CD1 3.98Å; V110-F132 HydrophobicContact CG2-CE1 3.68Å; V110-F132 HydrophobicContact CG2-CZ 4.3Å |
| 111 | T | 89.4 | Confident | 89.2 | Confident | 83 Ų | 83 | 71.6 Ų | 71.6 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | -50 | 175.8 | -53 | 0 | 0 | 0 | 0 | 111.1 | L131 K133 | T111-L131 HydrophobicContact CG2-CD2 4.37Å; T111-L131 PolarHBondContact N-O 2.97Å; T111-K133 VanDerWaalsContact OG1-CA 3.29Å; T111-K133 WeakPolarHBondContact OG1-CA 3.47Å; T111-K133 WeakPolarHBondContact OG1-CB 3.41Å; T111-K133 PolarHBondContact OG1-N 3.21Å |
| 112 | D | 87.1 | Confident | 88.9 | Confident | 43 Ų | 43 | 69.6 Ų | 69.6 | 23% | 0.23 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 157.2 | 179.1 | -160.7 | 13.1 | 0 | 0 | 0 | 112.4 | I74 K97 V110 I130 L131 | I74-D112 HydrophobicContact CG2-CB 3.91Å; I74-D112 WeakPolarHBondContact CG2-OD2 3.34Å; K97-D112 WeakPolarHBondContact CE-OD1 3.18Å; K97-D112 IonicContact NZ-OD1 2.78Å; K97-D112 PolarHBondContact NZ-OD1 3.47Å; V110-D112 WeakPolarHBondContact CG1-O 3.36Å; D112-I130 CarbonylContact O-C 3.52Å; D112-L131 HydrophobicContact CB-CB 4.34Å; D112-L131 PolarHBondContact N-O 3.46Å; D112-L131 PolarHBondContact O-N 2.88Å |
| 113 | C | 89.7 | Confident | 88.7 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.014 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 141.6 | 174.2 | 40.2 | 0 | 0 | 0 | 0 | 110.4 | K97 V110 F129 I130 | K97-C113 WeakPolarHBondContact CD-O 3.44Å; K97-C113 WeakPolarHBondContact CE-O 3.35Å; K97-C113 WeakPolarHBondContact CE-SG 3.41Å; K97-C113 HydrophobicContact CG-CB 4.16Å; K97-C113 WeakPolarHBondContact CG-SG 3.46Å; K97-C113 PolarHBondContact NZ-O 3.5Å; V110-C113 HydrophobicContact CG1-CB 4.43Å; C113-F129 CarbonylContact C-O 3.56Å; C113-F129 WeakPolarHBondContact CA-O 3.3Å; C113-I130 HydrophobicContact CB-CG1 4.28Å |
| 114 | T | 89.8 | Confident | 88.6 | Confident | 18 Ų | 18 | 70 Ų | 70 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 121.6 | -176.4 | -64.6 | 0 | 0 | 0 | 0 | 109.4 | K116 G128 F129 | T114-K116 HydrophobicContact CG2-CD 4.45Å; T114-G128 CarbonylContact O-C 3.58Å; T114-G128 WeakPolarHBondContact O-CA 3.5Å; T114-F129 PolarHBondContact N-O 2.8Å; T114-F129 PolarHBondContact O-N 2.82Å |
| 115 | I | 91.3 | Very high | 88.5 | Confident | 18 Ų | 18 | 77.3 Ų | 77.3 | 9% | 0.092 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 131.9 | 171.6 | -56.8 | -177.2 | 0 | 0 | 0 | 108.4 | T95 S96 L100 M117 | T95-I115 HydrophobicContact CG2-CD1 4.47Å; T95-I115 WeakPolarHBondContact O-CD1 3.44Å; S96-I115 VanDerWaalsContact C-CD1 3.45Å; L100-I115 HydrophobicContact CD1-CD1 3.59Å; L100-I115 HydrophobicContact CD1-CG1 3.43Å; L100-I115 VanDerWaalsContact CD1-CG1 3.43Å; I115-M117 PolarHBondContact O-N 3.25Å |
| 116 | K | 89.1 | Confident | 88.5 | Confident | 78 Ų | 78 | 75 Ų | 75 | 34% | 0.339 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 113.5 | 174 | -67.5 | -55.9 | -173.2 | -174.4 | 0 | 109.3 | T114 R125 F127 F129 | T114-K116 HydrophobicContact CG2-CD 4.45Å; K116-R125 VanDerWaalsContact O-CB 3.25Å; K116-R125 WeakPolarHBondContact O-CB 3.27Å; K116-R125 WeakPolarHBondContact O-CG 3.48Å; K116-R125 PolarHBondContact O-N 3.47Å; K116-F127 HydrophobicContact CB-CD2 4.07Å; K116-F127 HydrophobicContact CB-CE1 4.43Å; K116-F127 HydrophobicContact CB-CE2 3.54Å; K116-F127 HydrophobicContact CB-CZ 3.74Å; K116-F127 HydrophobicContact CG-CD2 4.15Å; K116-F127 HydrophobicContact CG-CE2 3.54Å; K116-F127 HydrophobicContact CG-CZ 4.14Å; K116-F127 PolarHBondContact N-O 3.23Å; K116-F129 HydrophobicContact CG-CD2 4.29Å; K116-F129 HydrophobicContact CG-CE2 4.02Å |
| 117 | M | 90.1 | Very high | 88.5 | Confident | 117 Ų | 117 | 69.4 Ų | 69.4 | 58% | 0.576 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 151.6 | 173.3 | -58.3 | 174.7 | -174.7 | 0 | 0 | 109.4 | I115 Q119 R123 | I115-M117 PolarHBondContact O-N 3.25Å; M117-Q119 PolarHBondContact O-N 3.19Å; M117-R123 CarbonylContact C-O 3.54Å; M117-R123 WeakPolarHBondContact CA-O 3.48Å |
| 118 | D | 88.9 | Confident | 88.7 | Confident | 58 Ų | 58 | 68.3 Ų | 68.3 | 31% | 0.31 | 35% | 0.348 | S | S | . | . | trans | -71.3 | 123.4 | 170.6 | 175.3 | 11.9 | 0 | 0 | 0 | 108.8 | Q120 T121 G122 R123 R125 | D118-Q120 PolarHBondContact O-N 3.01Å; D118-Q120 PolarHBondContact OD1-N 3.46Å; D118-Q120 VanDerWaalsContact OD1-N 3.07Å; D118-T121 WeakPolarHBondContact CB-OG1 3.34Å; D118-T121 VanDerWaalsContact CG-OG1 3.29Å; D118-T121 PolarHBondContact O-N 2.91Å; D118-T121 WeakPolarHBondContact OD2-CG2 3.06Å; D118-T121 PolarHBondContact OD2-OG1 2.87Å; D118-G122 VanDerWaalsContact O-CA 3.26Å; D118-G122 WeakPolarHBondContact O-CA 3.45Å; D118-G122 PolarHBondContact O-N 3.34Å; D118-R123 PolarHBondContact N-O 3.08Å; D118-R125 HydrophobicContact CB-CG 4.2Å | ||
| 119 | Q | 86.9 | Confident | 88.9 | Confident | 199 Ų | 199 | 69.3 Ų | 69.3 | 93% | 0.93 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -23.4 | -176.3 | -167 | 175.1 | 8.2 | 0 | 0 | 112.5 | M117 | M117-Q119 PolarHBondContact O-N 3.19Š|
| 120 | Q | 83.3 | Confident | 89 | Confident | 185 Ų | 185 | 63.7 Ų | 63.7 | 86% | 0.864 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -38.9 | 179.6 | -63 | -169.6 | 16.2 | 0 | 0 | 112.8 | D118 | D118-Q120 PolarHBondContact O-N 3.01Å; D118-Q120 PolarHBondContact OD1-N 3.46Å; D118-Q120 VanDerWaalsContact OD1-N 3.07Å |
| 121 | T | 86.9 | Confident | 88.9 | Confident | 94 Ų | 94 | 64.2 Ų | 64.2 | 58% | 0.577 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -10.3 | -172.9 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | D118 R123 | D118-T121 WeakPolarHBondContact CB-OG1 3.34Å; D118-T121 VanDerWaalsContact CG-OG1 3.29Å; D118-T121 PolarHBondContact O-N 2.91Å; D118-T121 WeakPolarHBondContact OD2-CG2 3.06Å; D118-T121 PolarHBondContact OD2-OG1 2.87Å; T121-R123 PolarHBondContact O-N 2.81Å; T121-R123 VanDerWaalsContact O-N 3.12Å; T121-R123 WeakPolarHBondContact OG1-CB 3.23Å; T121-R123 PolarHBondContact OG1-N 3.39Å |
| 122 | G | 84.9 | Confident | 89 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 55% | 0.546 | 30% | 0.3 | S | S | . | . | trans | 68 | 1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | D118 | D118-G122 VanDerWaalsContact O-CA 3.26Å; D118-G122 WeakPolarHBondContact O-CA 3.45Å; D118-G122 PolarHBondContact O-N 3.34Å | ||
| 123 | R | 86.3 | Confident | 89.1 | Confident | 126 Ų | 126 | 64.5 Ų | 64.5 | 48% | 0.475 | 32% | 0.315 | S | S | . | . | trans | -80.5 | 141.8 | -175.6 | -165.4 | -178.9 | -168.4 | -179.7 | 10 | 111 | W93 M117 D118 T121 R125 | W93-R123 VanDerWaalsContact CD2-NH2 3.3Å; M117-R123 CarbonylContact C-O 3.54Å; M117-R123 WeakPolarHBondContact CA-O 3.48Å; D118-R123 PolarHBondContact N-O 3.08Å; T121-R123 PolarHBondContact O-N 2.81Å; T121-R123 VanDerWaalsContact O-N 3.12Å; T121-R123 WeakPolarHBondContact OG1-CB 3.23Å; T121-R123 PolarHBondContact OG1-N 3.39Å; R123-R125 PolarHBondContact O-N 3.23Å | ||
| 124 | S | 89.4 | Confident | 89 | Confident | 10 Ų | 10 | 70.6 Ų | 70.6 | 7% | 0.07 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.3 | 133.2 | 170.4 | 176.1 | 0 | 0 | 0 | 0 | 111 | W93 G126 | W93-S124 VanDerWaalsContact O-CB 3.26Å; W93-S124 WeakPolarHBondContact O-CB 3.41Å; S124-G126 PolarHBondContact O-N 3.38Å; S124-G126 PolarHBondContact OG-N 2.64Å; S124-G126 VanDerWaalsContact OG-N 3.16Å |
| 125 | R | 88.3 | Confident | 88.8 | Confident | 154 Ų | 154 | 71.8 Ų | 71.8 | 58% | 0.581 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 2.5 | 174.4 | -60.6 | 177.5 | 63.3 | -174.3 | -4.4 | 112.3 | K116 D118 R123 F127 | K116-R125 VanDerWaalsContact O-CB 3.25Å; K116-R125 WeakPolarHBondContact O-CB 3.27Å; K116-R125 WeakPolarHBondContact O-CG 3.48Å; K116-R125 PolarHBondContact O-N 3.47Å; D118-R125 HydrophobicContact CB-CG 4.2Å; R123-R125 PolarHBondContact O-N 3.23Å; R125-F127 VanDerWaalsContact C-N 3.31Å; R125-F127 HydrophobicContact CB-CD1 3.67Å; R125-F127 HydrophobicContact CB-CE1 3.37Å; R125-F127 HydrophobicContact CB-CZ 4.25Å; R125-F127 HydrophobicContact CG-CE1 4.27Å; R125-F127 WeakPolarHBondContact O-CD1 3.48Å |
| 126 | G | 89.4 | Confident | 88.6 | Confident | 9 Ų | 9 | 72.9 Ų | 72.9 | 9% | 0.093 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.1 | 21.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G90 L91 S124 | G90-G126 PolarHBondContact N-O 3.44Å; L91-G126 PolarHBondContact N-O 3.16Å; L91-G126 WeakPolarHBondContact O-CA 3.14Å; S124-G126 PolarHBondContact O-N 3.38Å; S124-G126 PolarHBondContact OG-N 2.64Å; S124-G126 VanDerWaalsContact OG-N 3.16Å |
| 127 | F | 91.4 | Very high | 88.5 | Confident | 42 Ų | 42 | 69.3 Ų | 69.3 | 18% | 0.184 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 157.2 | 173 | 70.9 | -91.4 | 0 | 0 | 0 | 111.6 | F87 V88 K116 R125 F129 | F87-F127 HydrophobicContact CD2-CD2 4.46Å; F87-F127 HydrophobicContact CE2-CB 3.88Å; F87-F127 AromaticContact CE2-CD2 3.63Å; F87-F127 HydrophobicContact CE2-CD2 3.63Å; F87-F127 HydrophobicContact CE2-CE2 4.44Å; F87-F127 AromaticContact CE2-CG 4Å; F87-F127 HydrophobicContact CE2-CG 4Å; F87-F127 HydrophobicContact CZ-CB 3.91Å; F87-F127 HydrophobicContact CZ-CD2 4.42Å; F87-F127 HydrophobicContact CZ-CG 4.35Å; V88-F127 CarbonylContact O-C 3.42Å; V88-F127 VanDerWaalsContact O-CA 3.22Å; V88-F127 WeakPolarHBondContact O-CA 3.29Å; V88-F127 WeakPolarHBondContact O-CB 3.4Å; K116-F127 HydrophobicContact CB-CD2 4.07Å; K116-F127 HydrophobicContact CB-CE1 4.43Å; K116-F127 HydrophobicContact CB-CE2 3.54Å; K116-F127 HydrophobicContact CB-CZ 3.74Å; K116-F127 HydrophobicContact CG-CD2 4.15Å; K116-F127 HydrophobicContact CG-CE2 3.54Å; K116-F127 HydrophobicContact CG-CZ 4.14Å; K116-F127 PolarHBondContact N-O 3.23Å; R125-F127 VanDerWaalsContact C-N 3.31Å; R125-F127 HydrophobicContact CB-CD1 3.67Å; R125-F127 HydrophobicContact CB-CE1 3.37Å; R125-F127 HydrophobicContact CB-CZ 4.25Å; R125-F127 HydrophobicContact CG-CE1 4.27Å; R125-F127 WeakPolarHBondContact O-CD1 3.48Å; F127-F129 HydrophobicContact CE2-CE2 4.33Å |
| 128 | G | 91.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | -180 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | V88 T114 | V88-G128 PolarHBondContact N-O 3.24Å; V88-G128 PolarHBondContact O-N 3.39Å; T114-G128 CarbonylContact O-C 3.58Å; T114-G128 WeakPolarHBondContact O-CA 3.5Å |
| 129 | F | 92.3 | Very high | 88.3 | Confident | 41 Ų | 41 | 64.8 Ų | 64.8 | 18% | 0.18 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 144.7 | 174.3 | -62.7 | -85.8 | 0 | 0 | 0 | 109.4 | I74 M86 F87 C113 T114 K116 F127 A159 | I74-F129 HydrophobicContact CD1-CB 4.13Å; M86-F129 CarbonylContact O-C 3.6Å; M86-F129 VanDerWaalsContact O-CA 3.24Å; M86-F129 WeakPolarHBondContact O-CA 3.24Å; F87-F129 HydrophobicContact CB-CD1 4.32Å; F87-F129 HydrophobicContact CB-CE1 4.16Å; F87-F129 HydrophobicContact CD2-CD1 4.4Å; F87-F129 AromaticContact CD2-CE1 3.81Å; F87-F129 HydrophobicContact CD2-CE1 3.81Å; F87-F129 HydrophobicContact CD2-CZ 4Å; F87-F129 HydrophobicContact CG-CE1 4.49Å; C113-F129 CarbonylContact C-O 3.56Å; C113-F129 WeakPolarHBondContact CA-O 3.3Å; T114-F129 PolarHBondContact N-O 2.8Å; T114-F129 PolarHBondContact O-N 2.82Å; K116-F129 HydrophobicContact CG-CD2 4.29Å; K116-F129 HydrophobicContact CG-CE2 4.02Å; F127-F129 HydrophobicContact CE2-CE2 4.33Å; F129-A159 HydrophobicContact CD1-CB 4.34Å |
| 130 | I | 91.4 | Very high | 88.5 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 141.9 | 174.3 | -56.5 | -178.3 | 0 | 0 | 0 | 107.2 | K85 M86 V88 L100 F104 V110 D112 C113 F132 | K85-I130 CarbonylContact C-O 3.59Å; K85-I130 WeakPolarHBondContact CA-O 3.49Å; M86-I130 PolarHBondContact N-O 3.46Å; M86-I130 PolarHBondContact O-N 2.78Å; V88-I130 HydrophobicContact CG2-CD1 3.66Å; V88-I130 HydrophobicContact CG2-CG1 3.94Å; L100-I130 HydrophobicContact CD2-CD1 3.71Å; L100-I130 HydrophobicContact CD2-CG1 4.28Å; F104-I130 HydrophobicContact CB-CD1 3.88Å; F104-I130 HydrophobicContact CD1-CD1 3.95Å; F104-I130 HydrophobicContact CD2-CD1 3Å; F104-I130 HydrophobicContact CE1-CD1 4.23Å; F104-I130 HydrophobicContact CE2-CD1 3.36Å; F104-I130 HydrophobicContact CG-CD1 3.31Å; F104-I130 HydrophobicContact CZ-CD1 3.96Å; V110-I130 HydrophobicContact CB-CG2 4.39Å; V110-I130 HydrophobicContact CG1-CG2 3.58Å; V110-I130 HydrophobicContact CG2-CG2 3.93Å; D112-I130 CarbonylContact O-C 3.52Å; C113-I130 HydrophobicContact CB-CG1 4.28Å; I130-F132 HydrophobicContact CG2-CD2 4.34Å; I130-F132 HydrophobicContact CG2-CE2 4.15Å; I130-F132 HydrophobicContact CG2-CZ 4.47Å |
| 131 | L | 89.9 | Confident | 88.7 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 9% | 0.094 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 112.2 | 172.4 | -177.6 | 65.5 | 0 | 0 | 0 | 107.7 | E81 K85 V110 T111 D112 | E81-L131 WeakPolarHBondContact O-CD1 3.34Å; K85-L131 HydrophobicContact CB-CD1 4.04Å; V110-L131 CarbonylContact C-O 3.53Å; T111-L131 HydrophobicContact CG2-CD2 4.37Å; T111-L131 PolarHBondContact N-O 2.97Å; D112-L131 HydrophobicContact CB-CB 4.34Å; D112-L131 PolarHBondContact N-O 3.46Å; D112-L131 PolarHBondContact O-N 2.88Å |
| 132 | F | 90.9 | Very high | 88.8 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 150.1 | 168.5 | -73.1 | -81.6 | 0 | 0 | 0 | 110.3 | G84 M86 F104 E109 V110 I130 E134 V138 V141 | G84-F132 PolarHBondContact O-N 2.84Å; M86-F132 HydrophobicContact CG-CD2 4.32Å; M86-F132 HydrophobicContact CG-CE2 4.24Å; F104-F132 HydrophobicContact CB-CE1 4.37Å; F104-F132 HydrophobicContact CB-CZ 3.92Å; F104-F132 HydrophobicContact CD1-CE2 4.47Å; F104-F132 AromaticContact CD1-CZ 3.95Å; F104-F132 HydrophobicContact CD1-CZ 3.95Å; F104-F132 HydrophobicContact CG-CZ 4.36Å; F104-F132 WeakPolarHBondContact O-CE1 3.28Å; E109-F132 WeakPolarHBondContact O-CA 3.19Å; V110-F132 HydrophobicContact CG2-CD1 3.98Å; V110-F132 HydrophobicContact CG2-CE1 3.68Å; V110-F132 HydrophobicContact CG2-CZ 4.3Å; I130-F132 HydrophobicContact CG2-CD2 4.34Å; I130-F132 HydrophobicContact CG2-CE2 4.15Å; I130-F132 HydrophobicContact CG2-CZ 4.47Å; F132-E134 VanDerWaalsContact C-N 3.31Å; F132-E134 WeakPolarHBondContact CB-O 3.32Å; F132-V138 HydrophobicContact CB-CG2 4.41Å; F132-V138 HydrophobicContact CD2-CG2 3.65Å; F132-V138 HydrophobicContact CE2-CG2 4.34Å; F132-V138 HydrophobicContact CG-CG2 4.36Å; F132-V141 HydrophobicContact CE2-CG2 4.22Å; F132-V141 HydrophobicContact CZ-CG2 3.91Å |
| 133 | K | 89.1 | Confident | 88.9 | Confident | 125 Ų | 125 | 55.9 Ų | 55.9 | 54% | 0.543 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -67.6 | -35.1 | 171.2 | -172.4 | 177.2 | 179.3 | 178.8 | 0 | 112 | E109 T111 | E109-K133 HydrophobicContact CB-CB 4.2Å; E109-K133 HydrophobicContact CB-CD 4.32Å; E109-K133 HydrophobicContact CG-CB 4.5Å; E109-K133 HydrophobicContact CG-CD 4.13Å; E109-K133 PolarHBondContact O-N 3.13Å; E109-K133 WeakPolarHBondContact OE1-CD 3.36Å; E109-K133 IonicContact OE1-NZ 2.75Å; E109-K133 PolarHBondContact OE1-NZ 3.49Å; E109-K133 WeakPolarHBondContact OE2-CD 3.19Å; E109-K133 IonicContact OE2-NZ 2.92Å; E109-K133 PolarHBondContact OE2-NZ 2.87Å; T111-K133 VanDerWaalsContact OG1-CA 3.29Å; T111-K133 WeakPolarHBondContact OG1-CA 3.47Å; T111-K133 WeakPolarHBondContact OG1-CB 3.41Å; T111-K133 PolarHBondContact OG1-N 3.21Å |
| 134 | E | 87.6 | Confident | 88.8 | Confident | 131 Ų | 131 | 54.3 Ų | 54.3 | 61% | 0.612 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -123.2 | 139.9 | 179.4 | -64.1 | -176.3 | 177.2 | 0 | 0 | 111 | F132 A136 G137 | F132-E134 VanDerWaalsContact C-N 3.31Å; F132-E134 WeakPolarHBondContact CB-O 3.32Å; E134-A136 HydrophobicContact CB-CB 4.49Å; E134-A136 PolarHBondContact O-N 2.85Å; E134-G137 PolarHBondContact O-N 2.87Å; E134-G137 VanDerWaalsContact O-N 3.12Å |
| 135 | A | 86.1 | Confident | 88.2 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 35% | 0.347 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.8 | -24 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A83 G137 V138 D139 | A83-A135 HydrophobicContact CB-CB 3.99Å; A135-G137 PolarHBondContact O-N 3.37Å; A135-V138 WeakPolarHBondContact O-CA 3.18Å; A135-V138 VanDerWaalsContact O-CB 3.27Å; A135-V138 WeakPolarHBondContact O-CB 3.26Å; A135-V138 PolarHBondContact O-N 3.4Å; A135-D139 PolarHBondContact O-N 2.83Å |
| 136 | A | 87.5 | Confident | 88.1 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 35% | 0.347 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.1 | -30.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | E134 V138 D139 K140 | E134-A136 HydrophobicContact CB-CB 4.49Å; E134-A136 PolarHBondContact O-N 2.85Å; A136-V138 VanDerWaalsContact C-N 3.3Å; A136-V138 PolarHBondContact O-N 3.35Å; A136-D139 PolarHBondContact O-N 3.04Å; A136-K140 WeakPolarHBondContact O-CG 3.25Å; A136-K140 PolarHBondContact O-N 3.06Å |
| 137 | G | 86.8 | Confident | 88.1 | Confident | 2 Ų | 2 | 63 Ų | 63 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -35.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E134 A135 V141 | E134-G137 PolarHBondContact O-N 2.87Å; E134-G137 VanDerWaalsContact O-N 3.12Å; A135-G137 PolarHBondContact O-N 3.37Å; G137-V141 VanDerWaalsContact O-CG2 3.3Å; G137-V141 WeakPolarHBondContact O-CG2 3.48Å; G137-V141 PolarHBondContact O-N 3.36Å |
| 138 | V | 86.9 | Confident | 88 | Confident | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 176.4 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | A83 M86 F132 A135 A136 K140 V141 L142 K158 | A83-V138 WeakPolarHBondContact O-CG2 3.26Å; M86-V138 HydrophobicContact CE-CG1 4.12Å; M86-V138 HydrophobicContact CG-CB 4.05Å; M86-V138 HydrophobicContact CG-CG1 3.77Å; M86-V138 HydrophobicContact CG-CG2 3.47Å; M86-V138 VanDerWaalsContact CG-CG2 3.47Å; M86-V138 HydrophobicContact SD-CB 4.23Å; M86-V138 HydrophobicContact SD-CG1 3.32Å; M86-V138 WeakPolarHBondContact SD-CG1 3.47Å; M86-V138 HydrophobicContact SD-CG2 4.24Å; F132-V138 HydrophobicContact CB-CG2 4.41Å; F132-V138 HydrophobicContact CD2-CG2 3.65Å; F132-V138 HydrophobicContact CE2-CG2 4.34Å; F132-V138 HydrophobicContact CG-CG2 4.36Å; A135-V138 WeakPolarHBondContact O-CA 3.18Å; A135-V138 VanDerWaalsContact O-CB 3.27Å; A135-V138 WeakPolarHBondContact O-CB 3.26Å; A135-V138 PolarHBondContact O-N 3.4Å; A136-V138 VanDerWaalsContact C-N 3.3Å; A136-V138 PolarHBondContact O-N 3.35Å; V138-K140 PolarHBondContact O-N 2.81Å; V138-V141 PolarHBondContact O-N 2.77Å; V138-L142 HydrophobicContact CG1-CD1 3.76Å; V138-L142 HydrophobicContact CG1-CG 4.47Å; V138-L142 WeakPolarHBondContact O-CG 3.37Å; V138-L142 PolarHBondContact O-N 3.47Å; V138-K158 HydrophobicContact CG1-CG 4.15Å |
| 139 | D | 87.7 | Confident | 87.8 | Confident | 80 Ų | 80 | 69 Ų | 69 | 43% | 0.428 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | -177.3 | -63.3 | -39.8 | 0 | 0 | 0 | 111.6 | A135 A136 V141 L142 E143 K158 | A135-D139 PolarHBondContact O-N 2.83Å; A136-D139 PolarHBondContact O-N 3.04Å; D139-V141 PolarHBondContact O-N 3.47Å; D139-L142 PolarHBondContact O-N 3.08Å; D139-E143 WeakPolarHBondContact O-CB 3.39Å; D139-E143 PolarHBondContact O-N 3.38Å; D139-K158 IonicContact OD1-NZ 2.78Å; D139-K158 PolarHBondContact OD1-NZ 3.39Å |
| 140 | K | 89.6 | Confident | 87.4 | Confident | 110 Ų | 110 | 71.2 Ų | 71.2 | 48% | 0.478 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 173.1 | -72.3 | 169.2 | -178.7 | 175 | 0 | 113.4 | F107 A136 V138 Q144 | F107-K140 HydrophobicContact CB-CB 4.32Å; F107-K140 HydrophobicContact CD1-CB 4.34Å; F107-K140 WeakPolarHBondContact O-CD 3.37Å; A136-K140 WeakPolarHBondContact O-CG 3.25Å; A136-K140 PolarHBondContact O-N 3.06Å; V138-K140 PolarHBondContact O-N 2.81Å; K140-Q144 PolarHBondContact O-N 3.49Å |
| 141 | V | 89.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.7 | -45.8 | 173.5 | 169.8 | 0 | 0 | 0 | 0 | 109.4 | M86 F104 F107 F132 G137 V138 D139 E143 Q144 H147 P156 | M86-V141 HydrophobicContact CE-CB 4.2Å; M86-V141 HydrophobicContact CE-CG1 3.7Å; F104-V141 HydrophobicContact CD1-CG1 4.46Å; F104-V141 HydrophobicContact CD1-CG2 3.8Å; F104-V141 HydrophobicContact CE1-CG1 3.82Å; F104-V141 HydrophobicContact CE1-CG2 3.99Å; F107-V141 HydrophobicContact CB-CG2 3.59Å; F107-V141 HydrophobicContact CD1-CG2 4.25Å; F107-V141 HydrophobicContact CD2-CG2 3.9Å; F107-V141 HydrophobicContact CG-CG2 3.64Å; F132-V141 HydrophobicContact CE2-CG2 4.22Å; F132-V141 HydrophobicContact CZ-CG2 3.91Å; G137-V141 VanDerWaalsContact O-CG2 3.3Å; G137-V141 WeakPolarHBondContact O-CG2 3.48Å; G137-V141 PolarHBondContact O-N 3.36Å; V138-V141 PolarHBondContact O-N 2.77Å; D139-V141 PolarHBondContact O-N 3.47Å; V141-E143 VanDerWaalsContact C-N 3.3Å; V141-E143 PolarHBondContact O-N 2.88Å; V141-Q144 CarbonylContact O-C 3.53Å; V141-Q144 PolarHBondContact O-N 3.16Å; V141-Q144 VanDerWaalsContact O-N 3.08Å; V141-H147 PolarHBondContact O-NE2 3.29Å; V141-P156 HydrophobicContact CG1-CB 3.55Å; V141-P156 HydrophobicContact CG1-CG 3.48Å; V141-P156 VanDerWaalsContact CG1-CG 3.48Å |
| 142 | L | 87.6 | Confident | 87 | Confident | 66 Ų | 66 | 78 Ų | 78 | 35% | 0.346 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -70.1 | -26.4 | -178.5 | -66.7 | 166.3 | 0 | 0 | 0 | 113.8 | M86 V138 D139 Q144 K158 | M86-L142 HydrophobicContact CE-CD1 4.43Å; M86-L142 HydrophobicContact CE-CD2 3.84Å; M86-L142 HydrophobicContact CE-CG 3.89Å; V138-L142 HydrophobicContact CG1-CD1 3.76Å; V138-L142 HydrophobicContact CG1-CG 4.47Å; V138-L142 WeakPolarHBondContact O-CG 3.37Å; V138-L142 PolarHBondContact O-N 3.47Å; D139-L142 PolarHBondContact O-N 3.08Å; L142-Q144 PolarHBondContact O-N 3.28Å; L142-K158 HydrophobicContact CD1-CD 3.92Å; L142-K158 HydrophobicContact CD1-CG 3.48Å; L142-K158 VanDerWaalsContact CD1-CG 3.48Å |
| 143 | E | 88 | Confident | 87 | Confident | 168 Ų | 168 | 82.8 Ų | 82.8 | 79% | 0.785 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -62.6 | -33.7 | 170.9 | -171.1 | 174.3 | -164.8 | 0 | 0 | 111.1 | D139 V141 K145 | D139-E143 WeakPolarHBondContact O-CB 3.39Å; D139-E143 PolarHBondContact O-N 3.38Å; V141-E143 VanDerWaalsContact C-N 3.3Å; V141-E143 PolarHBondContact O-N 2.88Å; E143-K145 PolarHBondContact O-N 3.05Å |
| 144 | Q | 84.9 | Confident | 87.1 | Confident | 93 Ų | 93 | 77.1 Ų | 77.1 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | trans | -81.6 | 109.5 | 169.1 | -77.5 | -166 | 3.7 | 0 | 0 | 111.4 | F107 K140 V141 L142 E146 H147 | F107-Q144 VanDerWaalsContact CE1-CD 3.45Å; F107-Q144 HydrophobicContact CE1-CG 4.23Å; F107-Q144 VanDerWaalsContact CE1-OE1 3.31Å; K140-Q144 PolarHBondContact O-N 3.49Å; V141-Q144 CarbonylContact O-C 3.53Å; V141-Q144 PolarHBondContact O-N 3.16Å; V141-Q144 VanDerWaalsContact O-N 3.08Å; L142-Q144 PolarHBondContact O-N 3.28Å; Q144-E146 VanDerWaalsContact C-N 3.3Å; Q144-E146 PolarHBondContact O-N 2.92Å; Q144-H147 VanDerWaalsContact CB-CE1 3.44Å; Q144-H147 WeakPolarHBondContact CB-CE1 3.48Å; Q144-H147 PolarHBondContact O-CD2 3.04Å; Q144-H147 PolarHBondContact O-NE2 2.78Å; Q144-H147 PolarHBondContact OE1-CE1 3.49Å | ||
| 145 | K | 76.9 | Confident | 87.2 | Confident | 203 Ų | 203 | 74.9 Ų | 74.9 | 88% | 0.883 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -72.4 | -22.5 | -180 | -163.1 | 174.7 | -178.7 | -179.9 | 0 | 113.8 | E143 | E143-K145 PolarHBondContact O-N 3.05Š|
| 146 | E | 86 | Confident | 87.3 | Confident | 149 Ų | 149 | 73.7 Ų | 73.7 | 70% | 0.696 | 36% | 0.363 | S | S | * | . | trans | -127.6 | 120.9 | -177.6 | -68.8 | -171.4 | -175.6 | 0 | 0 | 111.5 | Q144 | Q144-E146 VanDerWaalsContact C-N 3.3Å; Q144-E146 PolarHBondContact O-N 2.92Å | ||
| 147 | H | 88.1 | Confident | 87.4 | Confident | 3 Ų | 3 | 77.2 Ų | 77.2 | 1% | 0.014 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 141.8 | 174 | -67 | -81.2 | 0 | 0 | 0 | 110.2 | Y103 F107 V141 Q144 Q153 I154 P156 | Y103-H147 HydrophobicContact CE1-CB 4.28Å; Y103-H147 AromaticContact CE1-ND1 3.77Å; Y103-H147 AromaticContact CZ-ND1 3.89Å; Y103-H147 WeakPolarHBondContact OH-CB 3.35Å; Y103-H147 PolarHBondContact OH-ND1 2.76Å; Y103-H147 VanDerWaalsContact OH-ND1 3.12Å; F107-H147 AromaticContact CZ-CE1 3.74Å; F107-H147 AromaticContact CZ-ND1 3.98Å; V141-H147 PolarHBondContact O-NE2 3.29Å; Q144-H147 VanDerWaalsContact CB-CE1 3.44Å; Q144-H147 WeakPolarHBondContact CB-CE1 3.48Å; Q144-H147 PolarHBondContact O-CD2 3.04Å; Q144-H147 PolarHBondContact O-NE2 2.78Å; Q144-H147 PolarHBondContact OE1-CE1 3.49Å; H147-Q153 CarbonylContact O-C 3.54Å; H147-Q153 WeakPolarHBondContact O-CA 3.4Å; H147-I154 HydrophobicContact CB-CD1 3.73Å; H147-I154 HydrophobicContact CB-CG1 3.23Å; H147-I154 PolarHBondContact O-N 2.94Å; H147-P156 WeakPolarHBondContact CD2-CG 3.09Å |
| 148 | R | 89.4 | Confident | 87.4 | Confident | 158 Ų | 158 | 83 Ų | 83 | 60% | 0.596 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 128.6 | 178.4 | -172.4 | 176.8 | -77.5 | -109.7 | 6.5 | 110 | Y103 G151 R152 | Y103-R148 WeakPolarHBondContact CE2-O 3.22Å; Y103-R148 PolarHBondContact OH-N 3.47Å; R148-G151 PolarHBondContact NH1-O 3.49Å; R148-R152 CarbonylContact C-O 3.54Å; R148-R152 VanDerWaalsContact CA-O 3.29Å; R148-R152 WeakPolarHBondContact CA-O 3.46Å; R148-R152 WeakPolarHBondContact CG-O 3.28Å |
| 149 | L | 88.2 | Confident | 87 | Confident | 10 Ų | 10 | 83.6 Ų | 83.6 | 5% | 0.052 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 134.3 | 178.7 | -168.6 | 111.6 | 0 | 0 | 0 | 108.8 | L91 T95 Y103 G151 R152 I154 | L91-L149 HydrophobicContact CD2-CD2 4.1Å; T95-L149 HydrophobicContact CG2-CD2 3.29Å; Y103-L149 HydrophobicContact CD1-CD1 4.04Å; Y103-L149 HydrophobicContact CD2-CD1 3.8Å; Y103-L149 HydrophobicContact CG-CD1 3.44Å; Y103-L149 VanDerWaalsContact CG-CD1 3.44Å; L149-G151 PolarHBondContact O-N 3.24Å; L149-G151 VanDerWaalsContact O-N 3.13Å; L149-R152 PolarHBondContact N-O 2.94Å; L149-R152 WeakPolarHBondContact O-CA 3.15Å; L149-R152 PolarHBondContact O-N 2.82Å; L149-I154 HydrophobicContact CB-CD1 4.22Å; L149-I154 HydrophobicContact CB-CG2 3.86Å |
| 150 | D | 84.7 | Confident | 86.1 | Confident | 87 Ų | 87 | 88.1 Ų | 88.1 | 47% | 0.465 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 36.3 | -179.4 | -52.3 | -31.1 | 0 | 0 | 0 | 113.8 | T95 R152 | T95-D150 WeakPolarHBondContact CB-OD2 3.3Å; T95-D150 PolarHBondContact OG1-OD2 3.35Å; D150-R152 PolarHBondContact O-N 3.29Å |
| 151 | G | 83.8 | Confident | 84.8 | Confident | 58 Ų | 58 | 84 Ų | 84 | 60% | 0.598 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 2.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | R148 L149 | R148-G151 PolarHBondContact NH1-O 3.49Å; L149-G151 PolarHBondContact O-N 3.24Å; L149-G151 VanDerWaalsContact O-N 3.13Å |
| 152 | R | 88.9 | Confident | 83.3 | Confident | 105 Ų | 105 | 92.9 Ų | 92.9 | 40% | 0.396 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139.6 | 178.9 | -163.6 | 168.9 | 178.3 | 166.7 | 0.6 | 111.6 | G90 L91 R148 L149 D150 I154 | G90-R152 WeakPolarHBondContact O-CD 3.29Å; G90-R152 VanDerWaalsContact O-CG 3.3Å; G90-R152 WeakPolarHBondContact O-CG 3.47Å; G90-R152 PolarHBondContact O-NE 3.01Å; L91-R152 PolarHBondContact O-NH1 2.95Å; R148-R152 CarbonylContact C-O 3.54Å; R148-R152 VanDerWaalsContact CA-O 3.29Å; R148-R152 WeakPolarHBondContact CA-O 3.46Å; R148-R152 WeakPolarHBondContact CG-O 3.28Å; L149-R152 PolarHBondContact N-O 2.94Å; L149-R152 WeakPolarHBondContact O-CA 3.15Å; L149-R152 PolarHBondContact O-N 2.82Å; D150-R152 PolarHBondContact O-N 3.29Å; R152-I154 PolarHBondContact O-N 2.87Å |
| 153 | Q | 89.8 | Confident | 81.7 | Confident | 106 Ų | 106 | 96.9 Ų | 96.9 | 50% | 0.495 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 125 | 175.2 | -171.7 | 170.6 | 2.9 | 0 | 0 | 109.3 | H147 | H147-Q153 CarbonylContact O-C 3.54Å; H147-Q153 WeakPolarHBondContact O-CA 3.4Å |
| 154 | I | 92.1 | Very high | 80.1 | Confident | 5 Ų | 5 | 98.6 Ų | 98.6 | 3% | 0.026 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 150.3 | 177.7 | 70.4 | 178.6 | 0 | 0 | 0 | 109.2 | V88 G89 L91 Y103 F104 H147 L149 R152 P156 | V88-I154 HydrophobicContact CG1-CB 4.14Å; V88-I154 HydrophobicContact CG1-CD1 3.99Å; V88-I154 HydrophobicContact CG1-CG1 4.39Å; G89-I154 CarbonylContact O-C 3.59Å; G89-I154 VanDerWaalsContact O-CA 3.31Å; G89-I154 WeakPolarHBondContact O-CA 3.44Å; G89-I154 WeakPolarHBondContact O-CB 3.31Å; L91-I154 HydrophobicContact CD2-CG2 3.84Å; Y103-I154 HydrophobicContact CD1-CD1 4.23Å; Y103-I154 HydrophobicContact CE1-CD1 3.85Å; F104-I154 HydrophobicContact CE2-CD1 3.79Å; F104-I154 HydrophobicContact CZ-CD1 3.59Å; H147-I154 HydrophobicContact CB-CD1 3.73Å; H147-I154 HydrophobicContact CB-CG1 3.23Å; H147-I154 PolarHBondContact O-N 2.94Å; L149-I154 HydrophobicContact CB-CD1 4.22Å; L149-I154 HydrophobicContact CB-CG2 3.86Å; R152-I154 PolarHBondContact O-N 2.87Å; I154-P156 WeakPolarHBondContact O-CD 3.49Å |
| 155 | D | 89.3 | Confident | 78.8 | Confident | 85 Ų | 85 | 101.3 Ų | 101.3 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 90.2 | -177 | -166.9 | -70.8 | 0 | 0 | 0 | 108.5 | G89 K157 | G89-D155 PolarHBondContact N-O 2.88Å; G89-D155 PolarHBondContact O-N 2.82Å; D155-K157 WeakPolarHBondContact OD1-CE 3.49Å; D155-K157 VanDerWaalsContact OD1-CG 3.31Å; D155-K157 WeakPolarHBondContact OD1-CG 3.31Å; D155-K157 IonicContact OD1-NZ 2.78Å |
| 156 | P | 89.3 | Confident | 77.8 | Confident | 16 Ų | 16 | 95 Ų | 95 | 10% | 0.104 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 131 | 175.5 | 28.3 | -27.1 | 0 | 0 | 0 | 110.6 | M86 F87 V88 F104 V141 H147 I154 | M86-P156 HydrophobicContact CE-CB 3.83Å; F87-P156 CarbonylContact O-C 3.58Å; F87-P156 VanDerWaalsContact O-CA 3.28Å; F87-P156 WeakPolarHBondContact O-CA 3.44Å; V88-P156 HydrophobicContact CG2-CB 4.45Å; F104-P156 HydrophobicContact CE1-CB 4.36Å; F104-P156 HydrophobicContact CZ-CB 4.41Å; V141-P156 HydrophobicContact CG1-CB 3.55Å; V141-P156 HydrophobicContact CG1-CG 3.48Å; V141-P156 VanDerWaalsContact CG1-CG 3.48Å; H147-P156 WeakPolarHBondContact CD2-CG 3.09Å; I154-P156 WeakPolarHBondContact O-CD 3.49Å |
| 157 | K | 88.9 | Confident | 76.9 | Confident | 117 Ų | 117 | 90.3 Ų | 90.3 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 151.7 | 176.1 | -58.9 | -169.8 | -175.2 | -171.7 | 0 | 109.8 | F87 D155 A159 | F87-K157 HydrophobicContact CD1-CB 4.37Å; F87-K157 PolarHBondContact N-O 3.49Å; F87-K157 PolarHBondContact O-N 3.38Å; D155-K157 WeakPolarHBondContact OD1-CE 3.49Å; D155-K157 VanDerWaalsContact OD1-CG 3.31Å; D155-K157 WeakPolarHBondContact OD1-CG 3.31Å; D155-K157 IonicContact OD1-NZ 2.78Å; K157-A159 PolarHBondContact O-N 3.46Å; K157-A159 VanDerWaalsContact O-N 3.12Å |
| 158 | K | 85.9 | Confident | 76.6 | Confident | 123 Ų | 123 | 94.7 Ų | 94.7 | 54% | 0.535 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.9 | 124.8 | 168.5 | -67.2 | -160.9 | 178.4 | -162.4 | 0 | 108.2 | M86 V138 D139 L142 M160 | M86-K158 VanDerWaalsContact SD-CA 3.51Å; M86-K158 HydrophobicContact SD-CG 4.29Å; V138-K158 HydrophobicContact CG1-CG 4.15Å; D139-K158 IonicContact OD1-NZ 2.78Å; D139-K158 PolarHBondContact OD1-NZ 3.39Å; L142-K158 HydrophobicContact CD1-CD 3.92Å; L142-K158 HydrophobicContact CD1-CG 3.48Å; L142-K158 VanDerWaalsContact CD1-CG 3.48Å; K158-M160 PolarHBondContact O-N 2.7Å |
| 159 | A | 78.9 | Confident | 76.5 | Confident | 13 Ų | 13 | 90.1 Ų | 90.1 | 11% | 0.107 | 45% | 0.448 | C | S | . | . | trans | -66.1 | 115.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | K85 F87 F129 K157 A161 | K85-A159 HydrophobicContact CB-CB 4.01Å; K85-A159 HydrophobicContact CD-CB 4.06Å; K85-A159 HydrophobicContact CG-CB 3.61Å; K85-A159 WeakPolarHBondContact O-CB 3.5Å; K85-A159 PolarHBondContact O-N 2.85Å; F87-A159 HydrophobicContact CB-CB 4.42Å; F129-A159 HydrophobicContact CD1-CB 4.34Å; K157-A159 PolarHBondContact O-N 3.46Å; K157-A159 VanDerWaalsContact O-N 3.12Å; A159-A161 PolarHBondContact O-N 3.07Å | ||
| 160 | M | 68.1 | Low | 76.5 | Confident | 176 Ų | 176 | 89.6 Ų | 89.6 | 87% | 0.867 | 45% | 0.445 | S | S | * | . | trans | -66.1 | 96.8 | 154.5 | -68.7 | 178.5 | 167.6 | 0 | 0 | 104.5 | K158 M162 | K158-M160 PolarHBondContact O-N 2.7Å; M160-M162 PolarHBondContact O-N 3.27Å | ||
| 161 | A | 62.2 | Low | 76.7 | Confident | 23 Ų | 23 | 87.8 Ų | 87.8 | 19% | 0.19 | 43% | 0.433 | C | S | . | . | trans | -49.1 | 117.3 | 157.8 | 0 | 0 | 0 | 0 | 0 | 104.2 | D82 A159 K163 | D82-A161 WeakPolarHBondContact OD1-CB 3.19Å; A159-A161 PolarHBondContact O-N 3.07Å; A161-K163 HydrophobicContact CB-CG 4.33Å; A161-K163 PolarHBondContact O-N 2.87Å | ||
| 162 | M | 58.3 | Low | 76.9 | Confident | 187 Ų | 187 | 85 Ų | 85 | 92% | 0.921 | 41% | 0.405 | S | S | * | . | trans | -61.8 | 80.9 | 159.1 | -73.2 | 177.2 | 170.7 | 0 | 0 | 103.7 | M160 K164 | M160-M162 PolarHBondContact O-N 3.27Å; M162-K164 PolarHBondContact O-N 2.63Å | ||
| 163 | K | 54.2 | Low | 76.8 | Confident | 150 Ų | 150 | 80.3 Ų | 80.3 | 65% | 0.652 | 39% | 0.389 | S | S | * | . | trans | -54 | 104.9 | 159.6 | -66.9 | -176.6 | -179.6 | -176.2 | 0 | 100 | A161 E165 | A161-K163 HydrophobicContact CB-CG 4.33Å; A161-K163 PolarHBondContact O-N 2.87Å; K163-E165 PolarHBondContact O-N 3.01Å | ||
| 164 | K | 54.9 | Low | 76.5 | Confident | 204 Ų | 204 | 77.4 Ų | 77.4 | 89% | 0.887 | 39% | 0.387 | S | S | * | . | trans | -56.9 | 90.8 | 149.2 | -81.3 | -179.4 | 175.8 | 177.9 | 0 | 101.1 | M162 P166 | M162-K164 PolarHBondContact O-N 2.63Å; K164-P166 VanDerWaalsContact O-N 3.14Å | ||
| 165 | E | 56.5 | Low | 76.1 | Confident | 150 Ų | 150 | 77.6 Ų | 77.6 | 70% | 0.701 | 39% | 0.388 | S | S | * | . | trans | -47.3 | 130.2 | 177.9 | -83.4 | 175.2 | 162.5 | 0 | 0 | 104.6 | K163 V167 | K163-E165 PolarHBondContact O-N 3.01Å; E165-V167 VanDerWaalsContact C-N 3.27Å; E165-V167 PolarHBondContact O-N 3.12Å | ||
| 166 | P | 57.4 | Low | 75.6 | Confident | 70 Ų | 70 | 76.5 Ų | 76.5 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | trans | -55.7 | 107.3 | 180 | 24.5 | -33.2 | 0 | 0 | 0 | 105.6 | K164 K168 E219 | K164-P166 VanDerWaalsContact O-N 3.14Å; P166-K168 VanDerWaalsContact C-N 3.27Å; P166-K168 WeakPolarHBondContact O-CG 2.73Å; P166-K168 PolarHBondContact O-N 3.07Å; P166-E219 HydrophobicContact CB-CB 4.02Å; P166-E219 HydrophobicContact CB-CG 4.42Å; P166-E219 WeakPolarHBondContact CB-OE2 2.97Å | ||
| 167 | V | 66.8 | Low | 75 | Confident | 50 Ų | 50 | 78.5 Ų | 78.5 | 30% | 0.303 | 40% | 0.396 | S | S | . | . | trans | -71.3 | 94.2 | -170.1 | -98.4 | 0 | 0 | 0 | 0 | 105.2 | E165 K169 V222 I242 | E165-V167 VanDerWaalsContact C-N 3.27Å; E165-V167 PolarHBondContact O-N 3.12Å; V167-K169 PolarHBondContact O-N 3.49Å; V167-V222 WeakPolarHBondContact O-CG1 3.47Å; V167-I242 HydrophobicContact CB-CG2 3.81Å; V167-I242 HydrophobicContact CG1-CG2 3.71Å; V167-I242 HydrophobicContact CG2-CB 4.27Å; V167-I242 HydrophobicContact CG2-CD1 4.02Å; V167-I242 HydrophobicContact CG2-CG1 3.93Å; V167-I242 HydrophobicContact CG2-CG2 3.49Å; V167-I242 VanDerWaalsContact CG2-CG2 3.49Å | ||
| 168 | K | 81.4 | Confident | 74.5 | Confident | 96 Ų | 96 | 79.4 Ų | 79.4 | 42% | 0.417 | 41% | 0.406 | S | S | . | . | trans | -66.1 | -14.7 | 175.8 | -61.3 | -169.1 | 179.5 | -160.5 | 0 | 112 | P166 T215 Y216 K217 | P166-K168 VanDerWaalsContact C-N 3.27Å; P166-K168 WeakPolarHBondContact O-CG 2.73Å; P166-K168 PolarHBondContact O-N 3.07Å; K168-T215 HydrophobicContact CB-CG2 4.33Å; K168-T215 WeakPolarHBondContact O-CA 3.35Å; K168-Y216 PolarHBondContact O-N 3.29Å; K168-K217 PolarHBondContact NZ-O 3.19Å | ||
| 169 | K | 86.4 | Confident | 74.2 | Confident | 61 Ų | 61 | 73.7 Ų | 73.7 | 27% | 0.265 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 125.2 | -178.9 | -163.8 | 169.5 | -176.2 | 164.2 | 0 | 110.9 | V167 E198 F213 I214 A243 | V167-K169 PolarHBondContact O-N 3.49Å; K169-E198 IonicContact NZ-OE1 3.38Å; K169-E198 PolarHBondContact NZ-OE1 3.12Å; K169-E198 IonicContact NZ-OE2 2.62Å; K169-E198 PolarHBondContact NZ-OE2 2.67Å; K169-F213 HydrophobicContact CD-CB 4.44Å; K169-F213 HydrophobicContact CG-CB 4.34Å; K169-I214 CarbonylContact C-O 3.46Å; K169-I214 VanDerWaalsContact CA-O 3.3Å; K169-I214 WeakPolarHBondContact CA-O 3.48Å; K169-A243 HydrophobicContact CB-CB 3.84Å; K169-A243 HydrophobicContact CD-CB 4.24Å; K169-A243 HydrophobicContact CG-CB 3.63Å; K169-A243 WeakPolarHBondContact O-CB 3.27Å; K169-A243 PolarHBondContact O-N 3.1Å; K169-A243 VanDerWaalsContact O-N 3.07Å |
| 170 | I | 88.4 | Confident | 74.4 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 149.1 | 171.8 | 60.5 | 164.2 | 0 | 0 | 0 | 110.5 | V172 F188 F213 I214 Y216 V222 V225 I240 | I170-V172 HydrophobicContact CD1-CG2 3.82Å; I170-V172 HydrophobicContact CG1-CG2 4.29Å; I170-F188 HydrophobicContact CD1-CD1 4.31Å; I170-F188 HydrophobicContact CD1-CE1 4.35Å; I170-F213 VanDerWaalsContact O-CA 3.3Å; I170-F213 WeakPolarHBondContact O-CA 3.39Å; I170-I214 HydrophobicContact CD1-CB 4.13Å; I170-I214 HydrophobicContact CD1-CD1 4.31Å; I170-I214 HydrophobicContact CG1-CB 3.73Å; I170-I214 HydrophobicContact CG1-CG1 4.49Å; I170-I214 WeakPolarHBondContact CG1-O 3.48Å; I170-I214 PolarHBondContact N-O 2.88Å; I170-I214 PolarHBondContact O-N 3.44Å; I170-Y216 HydrophobicContact CD1-CE2 3.61Å; I170-Y216 HydrophobicContact CG1-CE2 3.88Å; I170-V222 HydrophobicContact CG2-CB 4.11Å; I170-V222 HydrophobicContact CG2-CG1 3.5Å; I170-V222 HydrophobicContact CG2-CG2 3.9Å; I170-V225 HydrophobicContact CD1-CG1 4.04Å; I170-I240 HydrophobicContact CB-CG2 4.19Å; I170-I240 HydrophobicContact CD1-CG2 4.2Å |
| 171 | F | 88.4 | Confident | 75.2 | Confident | 48 Ų | 48 | 75.4 Ų | 75.4 | 21% | 0.211 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 124.8 | 168.6 | 169.8 | -91.4 | 0 | 0 | 0 | 108.3 | F211 F213 I240 K241 A243 | F171-F211 HydrophobicContact CD2-CB 4.43Å; F171-F211 HydrophobicContact CD2-CD2 4.37Å; F171-F211 HydrophobicContact CE2-CB 3.52Å; F171-F211 HydrophobicContact CE2-CD1 4.27Å; F171-F211 AromaticContact CE2-CD2 3.71Å; F171-F211 HydrophobicContact CE2-CD2 3.71Å; F171-F211 HydrophobicContact CE2-CE2 4.48Å; F171-F211 AromaticContact CE2-CG 3.6Å; F171-F211 HydrophobicContact CE2-CG 3.6Å; F171-F211 HydrophobicContact CZ-CB 3.66Å; F171-F211 HydrophobicContact CZ-CG 4.07Å; F171-F213 HydrophobicContact CB-CD1 4.16Å; F171-F213 HydrophobicContact CB-CE1 4.02Å; F171-F213 HydrophobicContact CD2-CD1 4.17Å; F171-F213 AromaticContact CD2-CE1 3.59Å; F171-F213 HydrophobicContact CD2-CE1 3.59Å; F171-F213 AromaticContact CD2-CZ 3.77Å; F171-F213 HydrophobicContact CD2-CZ 3.77Å; F171-F213 HydrophobicContact CE2-CZ 4.36Å; F171-F213 HydrophobicContact CG-CE1 4.29Å; F171-I240 CarbonylContact O-C 3.46Å; F171-I240 WeakPolarHBondContact O-CA 3.27Å; F171-K241 HydrophobicContact CB-CB 4.42Å; F171-K241 HydrophobicContact CD1-CB 4.11Å; F171-K241 PolarHBondContact N-O 3.33Å; F171-K241 PolarHBondContact O-N 3.48Å; F171-A243 HydrophobicContact CB-CB 4.42Å |
| 172 | V | 87.9 | Confident | 76.4 | Confident | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 107.4 | 174.8 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | I170 L175 F188 F211 V212 I214 C238 E239 I240 | I170-V172 HydrophobicContact CD1-CG2 3.82Å; I170-V172 HydrophobicContact CG1-CG2 4.29Å; V172-L175 HydrophobicContact CB-CD1 4.13Å; V172-L175 HydrophobicContact CG1-CD1 3.66Å; V172-L175 HydrophobicContact CG1-CG 4Å; V172-F188 HydrophobicContact CB-CZ 4.36Å; V172-F188 HydrophobicContact CG1-CE2 4.01Å; V172-F188 HydrophobicContact CG1-CZ 3.73Å; V172-F188 HydrophobicContact CG2-CE1 4.15Å; V172-F188 HydrophobicContact CG2-CE2 4.09Å; V172-F188 HydrophobicContact CG2-CZ 3.69Å; V172-F211 CarbonylContact O-C 3.54Å; V172-F211 WeakPolarHBondContact O-CA 3.48Å; V172-F211 WeakPolarHBondContact O-CB 3.36Å; V172-V212 PolarHBondContact N-O 3.38Å; V172-V212 PolarHBondContact O-N 3.16Å; V172-I214 HydrophobicContact CG2-CD1 4.07Å; V172-C238 HydrophobicContact CG1-CB 3.79Å; V172-E239 CarbonylContact C-O 3.57Å; V172-E239 WeakPolarHBondContact CA-O 3.46Å; V172-I240 HydrophobicContact CG1-CG1 4.39Å; V172-I240 HydrophobicContact CG2-CD1 4.44Å; V172-I240 HydrophobicContact CG2-CG1 4.31Å |
| 173 | G | 87.4 | Confident | 77.8 | Confident | 7 Ų | 7 | 73.9 Ų | 73.9 | 7% | 0.072 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 159.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G210 C238 E239 | G173-G210 CarbonylContact C-O 3.54Å; G173-C238 CarbonylContact O-C 3.59Å; G173-C238 WeakPolarHBondContact O-CA 3.37Å; G173-E239 PolarHBondContact N-O 2.96Å; G173-E239 PolarHBondContact O-N 3.34Å |
| 174 | G | 83.3 | Confident | 79.3 | Confident | 44 Ų | 44 | 66.8 Ų | 66.8 | 45% | 0.454 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 79.7 | 22.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G210 | G174-G210 PolarHBondContact N-O 2.73Š|
| 175 | L | 83.4 | Confident | 80.8 | Confident | 9 Ų | 9 | 62 Ų | 62 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | trans | -77.6 | 147.3 | 169 | -75.3 | 161.9 | 0 | 0 | 0 | 109.7 | V172 T179 I184 G210 V212 V233 C238 | V172-L175 HydrophobicContact CB-CD1 4.13Å; V172-L175 HydrophobicContact CG1-CD1 3.66Å; V172-L175 HydrophobicContact CG1-CG 4Å; L175-T179 HydrophobicContact CD2-CG2 4.42Å; L175-I184 HydrophobicContact CD1-CD1 3.81Å; L175-I184 HydrophobicContact CD1-CG1 4.42Å; L175-I184 HydrophobicContact CD2-CD1 4.41Å; L175-I184 HydrophobicContact CD2-CG1 4.36Å; L175-G210 PolarHBondContact N-O 3.14Å; L175-G210 WeakPolarHBondContact O-CA 3.37Å; L175-V212 HydrophobicContact CD1-CB 3.8Å; L175-V212 HydrophobicContact CD1-CG2 3.56Å; L175-V233 HydrophobicContact CD2-CB 3.83Å; L175-V233 HydrophobicContact CD2-CG1 4.02Å; L175-V233 HydrophobicContact CD2-CG2 4.47Å; L175-C238 HydrophobicContact CD2-CB 4.5Å; L175-C238 WeakPolarHBondContact CD2-SG 3.44Å; L175-C238 HydrophobicContact CG-CB 4.5Å | ||
| 176 | N | 79.8 | Confident | 82.4 | Confident | 63 Ų | 63 | 62 Ų | 62 | 34% | 0.337 | 32% | 0.324 | S | S | . | . | trans | -67.2 | 144.2 | 171.3 | -79.4 | -20.2 | 0 | 0 | 0 | 110 | D178 T179 S236 | N176-D178 PolarHBondContact O-N 3.36Å; N176-T179 WeakPolarHBondContact O-CB 3.42Å; N176-T179 PolarHBondContact O-N 3.43Å; N176-T179 VanDerWaalsContact O-N 3.09Å; N176-T179 PolarHBondContact O-OG1 3.11Å; N176-S236 PolarHBondContact ND2-OG 3.06Å; N176-S236 PolarHBondContact OD1-OG 3.1Å | ||
| 177 | P | 75.8 | Confident | 83.8 | Confident | 58 Ų | 58 | 62.2 Ų | 62.2 | 38% | 0.377 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -24.4 | 175.9 | 27.3 | -34.7 | 0 | 0 | 0 | 112.2 | T179 R208 | P177-T179 VanDerWaalsContact C-N 3.3Å; P177-R208 HydrophobicContact CB-CB 4.14Å; P177-R208 WeakPolarHBondContact O-CD 3.44Å; P177-R208 PolarHBondContact O-NH1 3.18Å |
| 178 | D | 78.9 | Confident | 84.8 | Confident | 135 Ų | 135 | 59.8 Ų | 59.8 | 72% | 0.722 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -15.2 | 178.6 | -54.7 | -36.1 | 0 | 0 | 0 | 112.5 | N176 E180 | N176-D178 PolarHBondContact O-N 3.36Å; D178-E180 PolarHBondContact O-N 3.35Å |
| 179 | T | 80.3 | Confident | 85 | Confident | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | trans | -67.8 | 120.7 | -179.9 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | L175 N176 P177 V183 I184 R208 V233 S234 | L175-T179 HydrophobicContact CD2-CG2 4.42Å; N176-T179 WeakPolarHBondContact O-CB 3.42Å; N176-T179 PolarHBondContact O-N 3.43Å; N176-T179 VanDerWaalsContact O-N 3.09Å; N176-T179 PolarHBondContact O-OG1 3.11Å; P177-T179 VanDerWaalsContact C-N 3.3Å; T179-V183 HydrophobicContact CG2-CB 4.25Å; T179-V183 HydrophobicContact CG2-CG1 4.37Å; T179-I184 HydrophobicContact CG2-CD1 4.06Å; T179-I184 HydrophobicContact CG2-CG1 3.76Å; T179-R208 PolarHBondContact O-NH1 3.48Å; T179-V233 HydrophobicContact CG2-CG1 4.33Å; T179-S234 WeakPolarHBondContact OG1-CB 3.44Å | ||
| 180 | E | 83 | Confident | 85.1 | Confident | 104 Ų | 104 | 59.1 Ų | 59.1 | 49% | 0.486 | 32% | 0.318 | S | S | . | . | trans | -80.5 | 158.8 | 179 | -60 | -165.2 | 156.4 | 0 | 0 | 112.6 | D178 E182 V183 I184 | D178-E180 PolarHBondContact O-N 3.35Å; E180-E182 PolarHBondContact O-N 2.95Å; E180-V183 PolarHBondContact O-N 2.89Å; E180-I184 WeakPolarHBondContact O-CG1 3.34Å; E180-I184 PolarHBondContact O-N 3.37Å | ||
| 181 | K | 84.8 | Confident | 84.9 | Confident | 121 Ų | 121 | 61.1 Ų | 61.1 | 53% | 0.526 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.7 | -31.3 | 178 | 68.6 | 178.7 | -177.3 | 177.4 | 0 | 112.5 | I184 Q185 L199 | K181-I184 PolarHBondContact O-N 3.15Å; K181-Q185 VanDerWaalsContact O-CB 3.27Å; K181-Q185 WeakPolarHBondContact O-CB 3.17Å; K181-Q185 PolarHBondContact O-N 2.67Å; K181-L199 HydrophobicContact CB-CD1 4Å |
| 182 | E | 87.4 | Confident | 84.8 | Confident | 120 Ų | 120 | 59.9 Ų | 59.9 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -68.8 | -46.3 | -174.4 | -62.8 | -178.4 | -177.7 | 0 | 0 | 110.9 | E180 I184 Q185 E186 | E180-E182 PolarHBondContact O-N 2.95Å; E182-I184 VanDerWaalsContact C-N 3.28Å; E182-I184 PolarHBondContact O-N 3.46Å; E182-Q185 PolarHBondContact O-N 3.44Å; E182-Q185 VanDerWaalsContact O-N 3.16Å; E182-E186 WeakPolarHBondContact O-CB 3.48Å; E182-E186 PolarHBondContact O-N 3.38Å |
| 183 | V | 86.9 | Confident | 84.8 | Confident | 58 Ų | 58 | 65.3 Ų | 65.3 | 35% | 0.352 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -39.7 | 175.5 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | T179 E180 Y187 V233 | T179-V183 HydrophobicContact CG2-CB 4.25Å; T179-V183 HydrophobicContact CG2-CG1 4.37Å; E180-V183 PolarHBondContact O-N 2.89Å; V183-Y187 WeakPolarHBondContact O-CB 3.22Å; V183-Y187 PolarHBondContact O-N 3.35Å; V183-V233 HydrophobicContact CG1-CG1 4.17Å |
| 184 | I | 85.3 | Confident | 84.9 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.8 | -45.7 | 176.9 | -63.1 | 171.5 | 0 | 0 | 0 | 109.5 | L175 T179 E180 K181 E182 Y187 F188 L199 V212 I214 | L175-I184 HydrophobicContact CD1-CD1 3.81Å; L175-I184 HydrophobicContact CD1-CG1 4.42Å; L175-I184 HydrophobicContact CD2-CD1 4.41Å; L175-I184 HydrophobicContact CD2-CG1 4.36Å; T179-I184 HydrophobicContact CG2-CD1 4.06Å; T179-I184 HydrophobicContact CG2-CG1 3.76Å; E180-I184 WeakPolarHBondContact O-CG1 3.34Å; E180-I184 PolarHBondContact O-N 3.37Å; K181-I184 PolarHBondContact O-N 3.15Å; E182-I184 VanDerWaalsContact C-N 3.28Å; E182-I184 PolarHBondContact O-N 3.46Å; I184-Y187 PolarHBondContact O-N 3.38Å; I184-F188 HydrophobicContact CB-CD2 4.48Å; I184-F188 HydrophobicContact CG2-CD2 3.55Å; I184-F188 HydrophobicContact CG2-CE2 3.99Å; I184-F188 VanDerWaalsContact O-CB 3.28Å; I184-F188 WeakPolarHBondContact O-CB 3.44Å; I184-F188 VanDerWaalsContact O-CD2 3.25Å; I184-F188 WeakPolarHBondContact O-CD2 3.34Å; I184-F188 PolarHBondContact O-N 3.11Å; I184-L199 HydrophobicContact CD1-CD2 4.28Å; I184-V212 HydrophobicContact CD1-CB 4.49Å; I184-V212 HydrophobicContact CD1-CG2 3.76Å; I184-V212 HydrophobicContact CG2-CG1 4.35Å; I184-I214 HydrophobicContact CG2-CD1 3.71Å; I184-I214 HydrophobicContact CG2-CG1 4.49Å |
| 185 | Q | 88.1 | Confident | 85.1 | Confident | 103 Ų | 103 | 69.6 Ų | 69.6 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 179 | -174.8 | 174.6 | -6.1 | 0 | 0 | 112.1 | K181 E182 G189 I194 I197 | K181-Q185 VanDerWaalsContact O-CB 3.27Å; K181-Q185 WeakPolarHBondContact O-CB 3.17Å; K181-Q185 PolarHBondContact O-N 2.67Å; E182-Q185 PolarHBondContact O-N 3.44Å; E182-Q185 VanDerWaalsContact O-N 3.16Å; Q185-G189 WeakPolarHBondContact O-CA 3.37Å; Q185-G189 PolarHBondContact O-N 3.22Å; Q185-I194 HydrophobicContact CG-CD1 4.22Å; Q185-I197 HydrophobicContact CB-CD1 3.62Å; Q185-I197 HydrophobicContact CG-CD1 4Å |
| 186 | E | 88.6 | Confident | 85.2 | Confident | 151 Ų | 151 | 72.3 Ų | 72.3 | 71% | 0.706 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -63.2 | -50.5 | 176.9 | -174 | 179.3 | -174.3 | 0 | 0 | 110.4 | E182 T190 | E182-E186 WeakPolarHBondContact O-CB 3.48Å; E182-E186 PolarHBondContact O-N 3.38Å; E186-T190 WeakPolarHBondContact O-CG2 3.25Å; E186-T190 PolarHBondContact O-N 2.81Å |
| 187 | Y | 88.2 | Confident | 85.5 | Confident | 73 Ų | 73 | 71.1 Ų | 71.1 | 29% | 0.286 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.6 | -50.8 | -179.7 | -175.1 | -95.9 | 0 | 0 | 0 | 112.4 | V183 I184 G189 T190 F191 H231 V233 | V183-Y187 WeakPolarHBondContact O-CB 3.22Å; V183-Y187 PolarHBondContact O-N 3.35Å; I184-Y187 PolarHBondContact O-N 3.38Å; Y187-G189 VanDerWaalsContact C-N 3.34Å; Y187-T190 PolarHBondContact O-N 2.71Å; Y187-T190 PolarHBondContact O-OG1 3.34Å; Y187-F191 HydrophobicContact CD1-CE2 4.09Å; Y187-F191 AromaticContact CE1-CE2 3.71Å; Y187-F191 HydrophobicContact CE1-CE2 3.71Å; Y187-F191 HydrophobicContact CE1-CZ 4.26Å; Y187-F191 WeakPolarHBondContact O-CD2 3.5Å; Y187-F191 WeakPolarHBondContact O-CE2 3.26Å; Y187-H231 HydrophobicContact CE1-CB 3.98Å; Y187-H231 AromaticContact CE1-ND1 3.44Å; Y187-H231 WeakPolarHBondContact CE1-ND1 3.1Å; Y187-H231 AromaticContact CZ-ND1 3.64Å; Y187-H231 PolarHBondContact OH-ND1 3.33Å; Y187-V233 HydrophobicContact CD1-CG2 3.55Å; Y187-V233 HydrophobicContact CE1-CG2 3.77Å; Y187-V233 HydrophobicContact CG-CG2 3.96Å |
| 188 | F | 86.4 | Confident | 86 | Confident | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -75.6 | -24.9 | -178.2 | -75.1 | -70.5 | 0 | 0 | 0 | 112.9 | I170 V172 I184 T190 F191 I194 I214 Y216 V225 V233 I240 | I170-F188 HydrophobicContact CD1-CD1 4.31Å; I170-F188 HydrophobicContact CD1-CE1 4.35Å; V172-F188 HydrophobicContact CB-CZ 4.36Å; V172-F188 HydrophobicContact CG1-CE2 4.01Å; V172-F188 HydrophobicContact CG1-CZ 3.73Å; V172-F188 HydrophobicContact CG2-CE1 4.15Å; V172-F188 HydrophobicContact CG2-CE2 4.09Å; V172-F188 HydrophobicContact CG2-CZ 3.69Å; I184-F188 HydrophobicContact CB-CD2 4.48Å; I184-F188 HydrophobicContact CG2-CD2 3.55Å; I184-F188 HydrophobicContact CG2-CE2 3.99Å; I184-F188 VanDerWaalsContact O-CB 3.28Å; I184-F188 WeakPolarHBondContact O-CB 3.44Å; I184-F188 VanDerWaalsContact O-CD2 3.25Å; I184-F188 WeakPolarHBondContact O-CD2 3.34Å; I184-F188 PolarHBondContact O-N 3.11Å; F188-T190 PolarHBondContact O-N 2.71Å; F188-F191 HydrophobicContact CD1-CD2 4.47Å; F188-F191 PolarHBondContact O-N 3.02Å; F188-F191 VanDerWaalsContact O-N 3.11Å; F188-I194 HydrophobicContact CB-CD1 3.83Å; F188-I214 HydrophobicContact CB-CD1 3.73Å; F188-I214 HydrophobicContact CD1-CD1 4.08Å; F188-I214 HydrophobicContact CD2-CD1 3.32Å; F188-I214 HydrophobicContact CE2-CD1 3.91Å; F188-I214 HydrophobicContact CG-CD1 3.41Å; F188-I214 VanDerWaalsContact CG-CD1 3.41Å; F188-Y216 WeakPolarHBondContact CB-OH 3.34Å; F188-Y216 WeakPolarHBondContact CD1-OH 3.42Å; F188-Y216 PolarHBondContact O-OH 3.25Å; F188-V225 HydrophobicContact CD1-CG1 4.34Å; F188-V225 HydrophobicContact CE1-CG1 3.96Å; F188-V233 HydrophobicContact CE2-CG2 4.15Å; F188-V233 HydrophobicContact CZ-CG2 4.39Å; F188-I240 HydrophobicContact CE1-CD1 3.52Å; F188-I240 HydrophobicContact CZ-CD1 3.85Å |
| 189 | G | 85.4 | Confident | 86.3 | Confident | 36 Ų | 36 | 68.1 Ų | 68.1 | 37% | 0.371 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.1 | -26.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q185 Y187 F191 G192 | Q185-G189 WeakPolarHBondContact O-CA 3.37Å; Q185-G189 PolarHBondContact O-N 3.22Å; Y187-G189 VanDerWaalsContact C-N 3.34Å; G189-F191 PolarHBondContact O-N 2.97Å; G189-G192 WeakPolarHBondContact CA-O 3.5Å; G189-G192 PolarHBondContact O-N 2.62Å |
| 190 | T | 88.4 | Confident | 86.2 | Confident | 107 Ų | 107 | 69.9 Ų | 69.9 | 66% | 0.656 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -24.7 | 172.3 | 68.9 | 0 | 0 | 0 | 0 | 113.4 | E186 Y187 F188 | E186-T190 WeakPolarHBondContact O-CG2 3.25Å; E186-T190 PolarHBondContact O-N 2.81Å; Y187-T190 PolarHBondContact O-N 2.71Å; Y187-T190 PolarHBondContact O-OG1 3.34Å; F188-T190 PolarHBondContact O-N 2.71Å |
| 191 | F | 84.9 | Confident | 86.1 | Confident | 41 Ų | 41 | 69.8 Ų | 69.8 | 18% | 0.18 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -26.4 | -178.9 | -63.2 | -88.2 | 0 | 0 | 0 | 112.5 | Y187 F188 G189 P221 V225 H231 | Y187-F191 HydrophobicContact CD1-CE2 4.09Å; Y187-F191 AromaticContact CE1-CE2 3.71Å; Y187-F191 HydrophobicContact CE1-CE2 3.71Å; Y187-F191 HydrophobicContact CE1-CZ 4.26Å; Y187-F191 WeakPolarHBondContact O-CD2 3.5Å; Y187-F191 WeakPolarHBondContact O-CE2 3.26Å; F188-F191 HydrophobicContact CD1-CD2 4.47Å; F188-F191 PolarHBondContact O-N 3.02Å; F188-F191 VanDerWaalsContact O-N 3.11Å; G189-F191 PolarHBondContact O-N 2.97Å; F191-P221 HydrophobicContact CB-CB 4.36Å; F191-P221 WeakPolarHBondContact O-CB 3.46Å; F191-V225 HydrophobicContact CB-CG2 3.54Å; F191-V225 HydrophobicContact CD1-CG2 3.7Å; F191-V225 HydrophobicContact CD2-CG2 3.96Å; F191-V225 HydrophobicContact CE1-CG2 4.4Å; F191-V225 HydrophobicContact CG-CG2 3.45Å; F191-V225 VanDerWaalsContact CG-CG2 3.45Å; F191-H231 AromaticContact CZ-CE1 3.62Å; F191-H231 AromaticContact CZ-ND1 3.91Å |
| 192 | G | 86.1 | Confident | 85.6 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 23% | 0.227 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 167.1 | 178.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | G189 I194 | G189-G192 WeakPolarHBondContact CA-O 3.5Å; G189-G192 PolarHBondContact O-N 2.62Å; G192-I194 PolarHBondContact O-N 3.38Å |
| 193 | E | 88.6 | Confident | 84.8 | Confident | 114 Ų | 114 | 66.5 Ų | 66.5 | 53% | 0.533 | 36% | 0.358 | S | S | . | . | trans | -74.3 | 118.7 | -173.4 | -162.9 | 178.4 | 178.8 | 0 | 0 | 112.1 | Y216 K217 | E193-Y216 WeakPolarHBondContact O-CA 3.27Å; E193-Y216 WeakPolarHBondContact O-CD1 3.45Å; E193-K217 HydrophobicContact CB-CD 4.4Å; E193-K217 VanDerWaalsContact CD-CE 3.49Å; E193-K217 HydrophobicContact CG-CD 4Å; E193-K217 PolarHBondContact O-N 2.78Å; E193-K217 VanDerWaalsContact OE1-CE 3.27Å; E193-K217 WeakPolarHBondContact OE1-CE 3.39Å; E193-K217 IonicContact OE1-NZ 2.72Å; E193-K217 PolarHBondContact OE1-NZ 3Å; E193-K217 WeakPolarHBondContact OE2-CD 3.47Å; E193-K217 IonicContact OE2-NZ 2.7Å; E193-K217 PolarHBondContact OE2-NZ 3.01Å | ||
| 194 | I | 89.1 | Confident | 84.1 | Confident | 28 Ų | 28 | 72.9 Ų | 72.9 | 14% | 0.144 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 129.8 | -179.9 | -60.3 | 168.6 | 0 | 0 | 0 | 109.4 | Q185 F188 G192 I197 I214 Y216 | Q185-I194 HydrophobicContact CG-CD1 4.22Å; F188-I194 HydrophobicContact CB-CD1 3.83Å; G192-I194 PolarHBondContact O-N 3.38Å; I194-I197 HydrophobicContact CD1-CD1 4.21Å; I194-I197 HydrophobicContact CG2-CD1 4.09Å; I194-I197 HydrophobicContact CG2-CG1 3.55Å; I194-I214 HydrophobicContact CB-CG2 4.37Å; I194-I214 HydrophobicContact CD1-CG2 4.11Å; I194-I214 HydrophobicContact CG1-CG2 3.89Å; I194-I214 HydrophobicContact CG2-CG2 3.64Å; I194-Y216 HydrophobicContact CD1-CE1 4.49Å; I194-Y216 HydrophobicContact CG1-CD1 3.9Å; I194-Y216 HydrophobicContact CG1-CE1 3.6Å |
| 195 | E | 88.4 | Confident | 83.4 | Confident | 113 Ų | 113 | 76.7 Ų | 76.7 | 53% | 0.528 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -45 | 174.5 | -173.6 | 178.3 | -166.1 | 0 | 0 | 111.6 | T215 K217 | E195-T215 WeakPolarHBondContact CA-O 3.3Å; E195-T215 HydrophobicContact CB-CG2 4.43Å; E195-T215 WeakPolarHBondContact CB-O 3.42Å; E195-T215 PolarHBondContact N-O 3.12Å; E195-K217 HydrophobicContact CB-CG 3.99Å |
| 196 | T | 84.8 | Confident | 82.3 | Confident | 66 Ų | 66 | 79.5 Ų | 79.5 | 41% | 0.405 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 141.6 | -177.3 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | E198 T215 | T196-E198 HydrophobicContact CG2-CG 4.31Å; T196-T215 PolarHBondContact N-O 2.75Å; T196-T215 VanDerWaalsContact N-O 3.12Å; T196-T215 PolarHBondContact O-N 2.76Å |
| 197 | I | 86.6 | Confident | 81.4 | Confident | 39 Ų | 39 | 79.5 Ų | 79.5 | 20% | 0.2 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.2 | 174 | -52.7 | 177.5 | 0 | 0 | 0 | 108.5 | Q185 I194 L199 V212 F213 I214 | Q185-I197 HydrophobicContact CB-CD1 3.62Å; Q185-I197 HydrophobicContact CG-CD1 4Å; I194-I197 HydrophobicContact CD1-CD1 4.21Å; I194-I197 HydrophobicContact CG2-CD1 4.09Å; I194-I197 HydrophobicContact CG2-CG1 3.55Å; I197-L199 HydrophobicContact CB-CD1 4.46Å; I197-L199 HydrophobicContact CG2-CD1 3.59Å; I197-L199 HydrophobicContact CG2-CG 4.46Å; I197-V212 HydrophobicContact CG2-CG1 3.45Å; I197-V212 VanDerWaalsContact CG2-CG1 3.45Å; I197-F213 CarbonylContact C-O 3.56Å; I197-F213 WeakPolarHBondContact CA-O 3.43Å; I197-I214 HydrophobicContact CG2-CG1 4.36Å |
| 198 | E | 85.2 | Confident | 80.5 | Confident | 81 Ų | 81 | 80 Ų | 80 | 38% | 0.379 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.3 | 175.4 | -66.1 | 167.7 | -146.9 | 0 | 0 | 109.6 | K169 T196 P200 V212 F213 | K169-E198 IonicContact NZ-OE1 3.38Å; K169-E198 PolarHBondContact NZ-OE1 3.12Å; K169-E198 IonicContact NZ-OE2 2.62Å; K169-E198 PolarHBondContact NZ-OE2 2.67Å; T196-E198 HydrophobicContact CG2-CG 4.31Å; E198-P200 VanDerWaalsContact O-CD 3.27Å; E198-P200 WeakPolarHBondContact O-CD 3.31Å; E198-V212 WeakPolarHBondContact O-CG1 3.28Å; E198-F213 HydrophobicContact CB-CB 4.25Å; E198-F213 PolarHBondContact N-O 2.81Å; E198-F213 PolarHBondContact O-N 2.84Å |
| 199 | L | 84.9 | Confident | 79.6 | Confident | 48 Ų | 48 | 86.6 Ų | 86.6 | 25% | 0.251 | 44% | 0.441 | S | S | . | . | trans | -113.9 | 85.7 | 175.5 | -64.7 | 88.8 | 0 | 0 | 0 | 109.9 | K181 I184 I197 Q201 V212 | K181-L199 HydrophobicContact CB-CD1 4Å; I184-L199 HydrophobicContact CD1-CD2 4.28Å; I197-L199 HydrophobicContact CB-CD1 4.46Å; I197-L199 HydrophobicContact CG2-CD1 3.59Å; I197-L199 HydrophobicContact CG2-CG 4.46Å; L199-Q201 PolarHBondContact O-N 3.48Å; L199-V212 HydrophobicContact CB-CG2 4.36Å; L199-V212 HydrophobicContact CD1-CG1 4.44Å; L199-V212 HydrophobicContact CD2-CG2 3.78Å; L199-V212 HydrophobicContact CG-CB 4.43Å; L199-V212 HydrophobicContact CG-CG1 4.07Å; L199-V212 HydrophobicContact CG-CG2 3.61Å | ||
| 200 | P | 79.8 | Confident | 79.2 | Confident | 42 Ų | 42 | 85.7 Ų | 85.7 | 27% | 0.273 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 123.2 | 176.9 | -26 | 38 | 0 | 0 | 0 | 111.7 | E198 R209 F211 F213 | E198-P200 VanDerWaalsContact O-CD 3.27Å; E198-P200 WeakPolarHBondContact O-CD 3.31Å; P200-R209 PolarHBondContact O-N 3.07Å; P200-F211 HydrophobicContact CB-CE2 3.85Å; P200-F211 HydrophobicContact CB-CZ 4.26Å; P200-F211 HydrophobicContact CG-CE2 3.82Å; P200-F213 HydrophobicContact CG-CD2 3.95Å; P200-F213 HydrophobicContact CG-CE2 3.99Å |
| 201 | Q | 79.9 | Confident | 79.1 | Confident | 102 Ų | 102 | 82.4 Ų | 82.4 | 48% | 0.477 | 41% | 0.409 | S | S | . | . | B | Isolated β-bridge | trans | -92.6 | 151.2 | 172 | -59.2 | -179.4 | 2.7 | 0 | 0 | 109.6 | L199 P203 R208 | L199-Q201 PolarHBondContact O-N 3.48Å; Q201-P203 WeakPolarHBondContact O-CD 3.11Å; Q201-R208 HydrophobicContact CG-CG 4.31Å |
| 202 | D | 75 | Confident | 79.2 | Confident | 45 Ų | 45 | 80.7 Ų | 80.7 | 24% | 0.241 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 120.7 | 176.8 | -162.2 | -46.7 | 0 | 0 | 0 | 109 | K204 T205 E206 K207 R209 | D202-K204 PolarHBondContact O-N 2.96Å; D202-K204 VanDerWaalsContact O-N 3.07Å; D202-K204 PolarHBondContact OD1-N 2.87Å; D202-T205 WeakPolarHBondContact CB-OG1 3.33Å; D202-T205 PolarHBondContact O-N 2.73Å; D202-E206 WeakPolarHBondContact O-CA 3.44Å; D202-E206 PolarHBondContact O-N 2.92Å; D202-K207 PolarHBondContact N-O 3.29Å; D202-R209 HydrophobicContact CB-CG 3.79Å |
| 203 | P | 70 | Confident | 79.3 | Confident | 127 Ų | 127 | 81.7 Ų | 81.7 | 83% | 0.825 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.3 | -178.5 | 26.6 | -35.4 | 0 | 0 | 0 | 113.4 | Q201 | Q201-P203 WeakPolarHBondContact O-CD 3.11Š|
| 204 | K | 71.6 | Confident | 79.3 | Confident | 191 Ų | 191 | 76.3 Ų | 76.3 | 83% | 0.83 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -28.4 | -178.6 | -64.7 | -175.8 | 179.2 | -176.6 | 0 | 114.2 | D202 | D202-K204 PolarHBondContact O-N 2.96Å; D202-K204 VanDerWaalsContact O-N 3.07Å; D202-K204 PolarHBondContact OD1-N 2.87Å |
| 205 | T | 71.6 | Confident | 79.3 | Confident | 82 Ų | 82 | 76 Ų | 76 | 50% | 0.503 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | -5.1 | -174.3 | 61.7 | 0 | 0 | 0 | 0 | 112.8 | D202 K207 | D202-T205 WeakPolarHBondContact CB-OG1 3.33Å; D202-T205 PolarHBondContact O-N 2.73Å; T205-K207 WeakPolarHBondContact O-CG 3.4Å; T205-K207 PolarHBondContact O-N 2.8Å |
| 206 | E | 64.6 | Low | 79.4 | Confident | 161 Ų | 161 | 70.7 Ų | 70.7 | 75% | 0.752 | 35% | 0.35 | S | S | * | . | trans | 53.6 | 6.1 | -173.8 | -151.1 | 169.2 | -158.9 | 0 | 0 | 113.7 | D202 | D202-E206 WeakPolarHBondContact O-CA 3.44Å; D202-E206 PolarHBondContact O-N 2.92Å | ||
| 207 | K | 69.3 | Low | 79.5 | Confident | 151 Ų | 151 | 71.8 Ų | 71.8 | 66% | 0.657 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -82.1 | 138.9 | 175.8 | -70.9 | 179.6 | -179.3 | -173.2 | 0 | 108.8 | D202 T205 R209 | D202-K207 PolarHBondContact N-O 3.29Å; T205-K207 WeakPolarHBondContact O-CG 3.4Å; T205-K207 PolarHBondContact O-N 2.8Å; K207-R209 PolarHBondContact O-N 3.19Å |
| 208 | R | 69.1 | Low | 79.4 | Confident | 85 Ų | 85 | 74.2 Ų | 74.2 | 32% | 0.321 | 36% | 0.362 | S | S | . | . | B | Isolated β-bridge | trans | -59.1 | 134.3 | 175 | -52.7 | -161.4 | -173.2 | 138.2 | -10.9 | 108.8 | P177 T179 Q201 G210 | P177-R208 HydrophobicContact CB-CB 4.14Å; P177-R208 WeakPolarHBondContact O-CD 3.44Å; P177-R208 PolarHBondContact O-NH1 3.18Å; T179-R208 PolarHBondContact O-NH1 3.48Å; Q201-R208 HydrophobicContact CG-CG 4.31Å; R208-G210 PolarHBondContact O-N 3.45Å |
| 209 | R | 68.1 | Low | 79.3 | Confident | 137 Ų | 137 | 73.9 Ų | 73.9 | 52% | 0.517 | 36% | 0.361 | S | S | . | . | trans | -73.9 | 15.7 | -173.1 | -64.3 | -173.6 | 77.5 | -167.4 | -0.5 | 114.7 | P200 D202 K207 F211 | P200-R209 PolarHBondContact O-N 3.07Å; D202-R209 HydrophobicContact CB-CG 3.79Å; K207-R209 PolarHBondContact O-N 3.19Å; R209-F211 HydrophobicContact CB-CD1 3.53Å; R209-F211 HydrophobicContact CB-CE1 3.16Å; R209-F211 HydrophobicContact CB-CE2 4.46Å; R209-F211 HydrophobicContact CB-CG 4.34Å; R209-F211 HydrophobicContact CB-CZ 3.69Å; R209-F211 HydrophobicContact CG-CE1 4.02Å; R209-F211 HydrophobicContact CG-CZ 4.25Å; R209-F211 WeakPolarHBondContact O-CD1 3.43Å; R209-F211 PolarHBondContact O-N 3.06Å; R209-F211 VanDerWaalsContact O-N 3.1Å | ||
| 210 | G | 77.9 | Confident | 79.3 | Confident | 18 Ų | 18 | 75.2 Ų | 75.2 | 19% | 0.186 | 37% | 0.371 | C | S | . | . | S | Bend | trans | 59 | 20.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G173 G174 L175 R208 | G173-G210 CarbonylContact C-O 3.54Å; G174-G210 PolarHBondContact N-O 2.73Å; L175-G210 PolarHBondContact N-O 3.14Å; L175-G210 WeakPolarHBondContact O-CA 3.37Å; R208-G210 PolarHBondContact O-N 3.45Å |
| 211 | F | 85.4 | Confident | 79.6 | Confident | 38 Ų | 38 | 73.3 Ų | 73.3 | 17% | 0.167 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 153.1 | 174.4 | 66.3 | -105.3 | 0 | 0 | 0 | 111.5 | F171 V172 P200 R209 F213 | F171-F211 HydrophobicContact CD2-CB 4.43Å; F171-F211 HydrophobicContact CD2-CD2 4.37Å; F171-F211 HydrophobicContact CE2-CB 3.52Å; F171-F211 HydrophobicContact CE2-CD1 4.27Å; F171-F211 AromaticContact CE2-CD2 3.71Å; F171-F211 HydrophobicContact CE2-CD2 3.71Å; F171-F211 HydrophobicContact CE2-CE2 4.48Å; F171-F211 AromaticContact CE2-CG 3.6Å; F171-F211 HydrophobicContact CE2-CG 3.6Å; F171-F211 HydrophobicContact CZ-CB 3.66Å; F171-F211 HydrophobicContact CZ-CG 4.07Å; V172-F211 CarbonylContact O-C 3.54Å; V172-F211 WeakPolarHBondContact O-CA 3.48Å; V172-F211 WeakPolarHBondContact O-CB 3.36Å; P200-F211 HydrophobicContact CB-CE2 3.85Å; P200-F211 HydrophobicContact CB-CZ 4.26Å; P200-F211 HydrophobicContact CG-CE2 3.82Å; R209-F211 HydrophobicContact CB-CD1 3.53Å; R209-F211 HydrophobicContact CB-CE1 3.16Å; R209-F211 HydrophobicContact CB-CE2 4.46Å; R209-F211 HydrophobicContact CB-CG 4.34Å; R209-F211 HydrophobicContact CB-CZ 3.69Å; R209-F211 HydrophobicContact CG-CE1 4.02Å; R209-F211 HydrophobicContact CG-CZ 4.25Å; R209-F211 WeakPolarHBondContact O-CD1 3.43Å; R209-F211 PolarHBondContact O-N 3.06Å; R209-F211 VanDerWaalsContact O-N 3.1Å; F211-F213 HydrophobicContact CD2-CD2 4.47Å; F211-F213 AromaticContact CD2-CE2 3.97Å; F211-F213 HydrophobicContact CD2-CE2 3.97Å; F211-F213 HydrophobicContact CE2-CD2 4.46Å; F211-F213 AromaticContact CE2-CE2 3.71Å; F211-F213 HydrophobicContact CE2-CE2 3.71Å; F211-F213 HydrophobicContact CE2-CZ 4.37Å |
| 212 | V | 86.9 | Confident | 79.8 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 3% | 0.03 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 145.1 | -176.8 | 174.7 | 0 | 0 | 0 | 0 | 109.2 | V172 L175 I184 I197 E198 L199 I214 | V172-V212 PolarHBondContact N-O 3.38Å; V172-V212 PolarHBondContact O-N 3.16Å; L175-V212 HydrophobicContact CD1-CB 3.8Å; L175-V212 HydrophobicContact CD1-CG2 3.56Å; I184-V212 HydrophobicContact CD1-CB 4.49Å; I184-V212 HydrophobicContact CD1-CG2 3.76Å; I184-V212 HydrophobicContact CG2-CG1 4.35Å; I197-V212 HydrophobicContact CG2-CG1 3.45Å; I197-V212 VanDerWaalsContact CG2-CG1 3.45Å; E198-V212 WeakPolarHBondContact O-CG1 3.28Å; L199-V212 HydrophobicContact CB-CG2 4.36Å; L199-V212 HydrophobicContact CD1-CG1 4.44Å; L199-V212 HydrophobicContact CD2-CG2 3.78Å; L199-V212 HydrophobicContact CG-CB 4.43Å; L199-V212 HydrophobicContact CG-CG1 4.07Å; L199-V212 HydrophobicContact CG-CG2 3.61Å; V212-I214 HydrophobicContact CG1-CG1 3.99Å |
| 213 | F | 89.1 | Confident | 80.2 | Confident | 43 Ų | 43 | 72.2 Ų | 72.2 | 19% | 0.189 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.1 | 167.9 | -62.1 | -86.7 | 0 | 0 | 0 | 110.1 | K169 I170 F171 I197 E198 P200 F211 A243 | K169-F213 HydrophobicContact CD-CB 4.44Å; K169-F213 HydrophobicContact CG-CB 4.34Å; I170-F213 VanDerWaalsContact O-CA 3.3Å; I170-F213 WeakPolarHBondContact O-CA 3.39Å; F171-F213 HydrophobicContact CB-CD1 4.16Å; F171-F213 HydrophobicContact CB-CE1 4.02Å; F171-F213 HydrophobicContact CD2-CD1 4.17Å; F171-F213 AromaticContact CD2-CE1 3.59Å; F171-F213 HydrophobicContact CD2-CE1 3.59Å; F171-F213 AromaticContact CD2-CZ 3.77Å; F171-F213 HydrophobicContact CD2-CZ 3.77Å; F171-F213 HydrophobicContact CE2-CZ 4.36Å; F171-F213 HydrophobicContact CG-CE1 4.29Å; I197-F213 CarbonylContact C-O 3.56Å; I197-F213 WeakPolarHBondContact CA-O 3.43Å; E198-F213 HydrophobicContact CB-CB 4.25Å; E198-F213 PolarHBondContact N-O 2.81Å; E198-F213 PolarHBondContact O-N 2.84Å; P200-F213 HydrophobicContact CG-CD2 3.95Å; P200-F213 HydrophobicContact CG-CE2 3.99Å; F211-F213 HydrophobicContact CD2-CD2 4.47Å; F211-F213 AromaticContact CD2-CE2 3.97Å; F211-F213 HydrophobicContact CD2-CE2 3.97Å; F211-F213 HydrophobicContact CE2-CD2 4.46Å; F211-F213 AromaticContact CE2-CE2 3.71Å; F211-F213 HydrophobicContact CE2-CE2 3.71Å; F211-F213 HydrophobicContact CE2-CZ 4.37Å; F213-A243 HydrophobicContact CD1-CB 3.87Å; F213-A243 HydrophobicContact CE1-CB 4.11Å |
| 214 | I | 88.6 | Confident | 80.9 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.9 | 178.6 | -54.7 | 177.3 | 0 | 0 | 0 | 107.4 | K169 I170 V172 I184 F188 I194 I197 V212 Y216 | K169-I214 CarbonylContact C-O 3.46Å; K169-I214 VanDerWaalsContact CA-O 3.3Å; K169-I214 WeakPolarHBondContact CA-O 3.48Å; I170-I214 HydrophobicContact CD1-CB 4.13Å; I170-I214 HydrophobicContact CD1-CD1 4.31Å; I170-I214 HydrophobicContact CG1-CB 3.73Å; I170-I214 HydrophobicContact CG1-CG1 4.49Å; I170-I214 WeakPolarHBondContact CG1-O 3.48Å; I170-I214 PolarHBondContact N-O 2.88Å; I170-I214 PolarHBondContact O-N 3.44Å; V172-I214 HydrophobicContact CG2-CD1 4.07Å; I184-I214 HydrophobicContact CG2-CD1 3.71Å; I184-I214 HydrophobicContact CG2-CG1 4.49Å; F188-I214 HydrophobicContact CB-CD1 3.73Å; F188-I214 HydrophobicContact CD1-CD1 4.08Å; F188-I214 HydrophobicContact CD2-CD1 3.32Å; F188-I214 HydrophobicContact CE2-CD1 3.91Å; F188-I214 HydrophobicContact CG-CD1 3.41Å; F188-I214 VanDerWaalsContact CG-CD1 3.41Å; I194-I214 HydrophobicContact CB-CG2 4.37Å; I194-I214 HydrophobicContact CD1-CG2 4.11Å; I194-I214 HydrophobicContact CG1-CG2 3.89Å; I194-I214 HydrophobicContact CG2-CG2 3.64Å; I197-I214 HydrophobicContact CG2-CG1 4.36Å; V212-I214 HydrophobicContact CG1-CG1 3.99Å; I214-Y216 HydrophobicContact CG2-CD2 4.26Å; I214-Y216 HydrophobicContact CG2-CE1 4.46Å; I214-Y216 HydrophobicContact CG2-CE2 3.91Å |
| 215 | T | 88.3 | Confident | 81.5 | Confident | 23 Ų | 23 | 62.9 Ų | 62.9 | 14% | 0.141 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 122.3 | 171.5 | -53.3 | 0 | 0 | 0 | 0 | 108 | K168 E195 T196 | K168-T215 HydrophobicContact CB-CG2 4.33Å; K168-T215 WeakPolarHBondContact O-CA 3.35Å; E195-T215 WeakPolarHBondContact CA-O 3.3Å; E195-T215 HydrophobicContact CB-CG2 4.43Å; E195-T215 WeakPolarHBondContact CB-O 3.42Å; E195-T215 PolarHBondContact N-O 3.12Å; T196-T215 PolarHBondContact N-O 2.75Å; T196-T215 VanDerWaalsContact N-O 3.12Å; T196-T215 PolarHBondContact O-N 2.76Å |
| 216 | Y | 90.1 | Very high | 82.1 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 155.9 | 173.3 | -68.5 | -87.1 | 0 | 0 | 0 | 111.1 | K168 I170 F188 E193 I194 I214 D218 P221 V222 | K168-Y216 PolarHBondContact O-N 3.29Å; I170-Y216 HydrophobicContact CD1-CE2 3.61Å; I170-Y216 HydrophobicContact CG1-CE2 3.88Å; F188-Y216 WeakPolarHBondContact CB-OH 3.34Å; F188-Y216 WeakPolarHBondContact CD1-OH 3.42Å; F188-Y216 PolarHBondContact O-OH 3.25Å; E193-Y216 WeakPolarHBondContact O-CA 3.27Å; E193-Y216 WeakPolarHBondContact O-CD1 3.45Å; I194-Y216 HydrophobicContact CD1-CE1 4.49Å; I194-Y216 HydrophobicContact CG1-CD1 3.9Å; I194-Y216 HydrophobicContact CG1-CE1 3.6Å; I214-Y216 HydrophobicContact CG2-CD2 4.26Å; I214-Y216 HydrophobicContact CG2-CE1 4.46Å; I214-Y216 HydrophobicContact CG2-CE2 3.91Å; Y216-D218 VanDerWaalsContact C-N 3.29Å; Y216-D218 VanDerWaalsContact CB-O 3.26Å; Y216-D218 WeakPolarHBondContact CB-O 3.16Å; Y216-P221 HydrophobicContact CD1-CB 3.56Å; Y216-P221 HydrophobicContact CD1-CG 3.39Å; Y216-P221 HydrophobicContact CD2-CB 4.28Å; Y216-P221 HydrophobicContact CD2-CG 4.11Å; Y216-P221 HydrophobicContact CE1-CB 3.63Å; Y216-P221 HydrophobicContact CE1-CG 4.02Å; Y216-P221 HydrophobicContact CE2-CB 4.32Å; Y216-P221 HydrophobicContact CG-CB 3.9Å; Y216-P221 HydrophobicContact CG-CG 3.43Å; Y216-P221 VanDerWaalsContact CG-CG 3.43Å; Y216-V222 HydrophobicContact CD2-CG2 3.59Å; Y216-V222 HydrophobicContact CE2-CG2 4.25Å; Y216-V222 HydrophobicContact CG-CG2 4.34Å |
| 217 | K | 86.9 | Confident | 83 | Confident | 89 Ų | 89 | 61.5 Ų | 61.5 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -64.3 | -39.7 | 170.6 | -66.9 | -169.5 | -178.1 | 177.2 | 0 | 111.5 | K168 E193 E195 | K168-K217 PolarHBondContact NZ-O 3.19Å; E193-K217 HydrophobicContact CB-CD 4.4Å; E193-K217 VanDerWaalsContact CD-CE 3.49Å; E193-K217 HydrophobicContact CG-CD 4Å; E193-K217 PolarHBondContact O-N 2.78Å; E193-K217 VanDerWaalsContact OE1-CE 3.27Å; E193-K217 WeakPolarHBondContact OE1-CE 3.39Å; E193-K217 IonicContact OE1-NZ 2.72Å; E193-K217 PolarHBondContact OE1-NZ 3Å; E193-K217 WeakPolarHBondContact OE2-CD 3.47Å; E193-K217 IonicContact OE2-NZ 2.7Å; E193-K217 PolarHBondContact OE2-NZ 3.01Å; E195-K217 HydrophobicContact CB-CG 3.99Å |
| 218 | D | 85.2 | Confident | 83.5 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 49% | 0.487 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -113.1 | 157 | -176.4 | -65.5 | -44.9 | 0 | 0 | 0 | 113.4 | Y216 P221 | Y216-D218 VanDerWaalsContact C-N 3.29Å; Y216-D218 VanDerWaalsContact CB-O 3.26Å; Y216-D218 WeakPolarHBondContact CB-O 3.16Å; D218-P221 HydrophobicContact CB-CG 4.5Å; D218-P221 WeakPolarHBondContact O-CD 3.41Å; D218-P221 VanDerWaalsContact O-CG 3.25Å; D218-P221 WeakPolarHBondContact O-CG 3.42Å |
| 219 | E | 83.3 | Confident | 83.7 | Confident | 73 Ų | 73 | 63.8 Ų | 63.8 | 34% | 0.341 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -82.6 | -15.8 | 173.7 | 55.3 | 151.6 | -146.3 | 0 | 0 | 113.9 | P166 V222 K223 | P166-E219 HydrophobicContact CB-CB 4.02Å; P166-E219 HydrophobicContact CB-CG 4.42Å; P166-E219 WeakPolarHBondContact CB-OE2 2.97Å; E219-V222 WeakPolarHBondContact O-CB 3.48Å; E219-V222 PolarHBondContact O-N 3.07Å; E219-K223 PolarHBondContact O-N 3.07Å; E219-K223 VanDerWaalsContact O-N 3.15Å; E219-K223 IonicContact OE1-NZ 2.67Å; E219-K223 PolarHBondContact OE1-NZ 3.08Å; E219-K223 WeakPolarHBondContact OE2-CE 3.25Å; E219-K223 IonicContact OE2-NZ 2.91Å; E219-K223 PolarHBondContact OE2-NZ 3.44Å; E219-K223 VanDerWaalsContact OE2-NZ 3.07Å |
| 220 | T | 84.9 | Confident | 84.5 | Confident | 76 Ų | 76 | 62.6 Ų | 62.6 | 47% | 0.466 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 179.5 | 58.7 | 0 | 0 | 0 | 0 | 113 | V222 K223 K224 | T220-V222 VanDerWaalsContact C-N 3.33Å; T220-V222 PolarHBondContact O-N 3.32Å; T220-K223 PolarHBondContact O-N 3.18Å; T220-K224 WeakPolarHBondContact O-CG 3.41Å; T220-K224 PolarHBondContact O-N 2.82Å |
| 221 | P | 85.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.2 | -39.8 | 173.2 | 21.5 | -33.7 | 0 | 0 | 0 | 112.4 | F191 Y216 D218 K223 K224 V225 | F191-P221 HydrophobicContact CB-CB 4.36Å; F191-P221 WeakPolarHBondContact O-CB 3.46Å; Y216-P221 HydrophobicContact CD1-CB 3.56Å; Y216-P221 HydrophobicContact CD1-CG 3.39Å; Y216-P221 HydrophobicContact CD2-CB 4.28Å; Y216-P221 HydrophobicContact CD2-CG 4.11Å; Y216-P221 HydrophobicContact CE1-CB 3.63Å; Y216-P221 HydrophobicContact CE1-CG 4.02Å; Y216-P221 HydrophobicContact CE2-CB 4.32Å; Y216-P221 HydrophobicContact CG-CB 3.9Å; Y216-P221 HydrophobicContact CG-CG 3.43Å; Y216-P221 VanDerWaalsContact CG-CG 3.43Å; D218-P221 HydrophobicContact CB-CG 4.5Å; D218-P221 WeakPolarHBondContact O-CD 3.41Å; D218-P221 VanDerWaalsContact O-CG 3.25Å; D218-P221 WeakPolarHBondContact O-CG 3.42Å; P221-K223 VanDerWaalsContact C-N 3.33Å; P221-K223 PolarHBondContact O-N 3.3Å; P221-K224 PolarHBondContact O-N 2.82Å; P221-V225 WeakPolarHBondContact O-CB 3.12Å; P221-V225 WeakPolarHBondContact O-CG2 3.3Å; P221-V225 PolarHBondContact O-N 3.01Å |
| 222 | V | 84.3 | Confident | 84.6 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.024 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.3 | -45.2 | -179 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | V167 I170 Y216 E219 T220 V225 L226 | V167-V222 WeakPolarHBondContact O-CG1 3.47Å; I170-V222 HydrophobicContact CG2-CB 4.11Å; I170-V222 HydrophobicContact CG2-CG1 3.5Å; I170-V222 HydrophobicContact CG2-CG2 3.9Å; Y216-V222 HydrophobicContact CD2-CG2 3.59Å; Y216-V222 HydrophobicContact CE2-CG2 4.25Å; Y216-V222 HydrophobicContact CG-CG2 4.34Å; E219-V222 WeakPolarHBondContact O-CB 3.48Å; E219-V222 PolarHBondContact O-N 3.07Å; T220-V222 VanDerWaalsContact C-N 3.33Å; T220-V222 PolarHBondContact O-N 3.32Å; V222-V225 PolarHBondContact O-N 3.44Å; V222-L226 HydrophobicContact CG1-CD1 3.64Å; V222-L226 HydrophobicContact CG1-CG 4.32Å; V222-L226 WeakPolarHBondContact O-CB 3.16Å; V222-L226 WeakPolarHBondContact O-CD1 3.14Å; V222-L226 WeakPolarHBondContact O-CG 3.27Å; V222-L226 PolarHBondContact O-N 3.06Å |
| 223 | K | 83.9 | Confident | 84.3 | Confident | 120 Ų | 120 | 65 Ų | 65 | 52% | 0.522 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | 178.2 | -69.7 | 173.3 | -176.7 | 168.8 | 0 | 111.7 | E219 T220 P221 V225 L226 E227 | E219-K223 PolarHBondContact O-N 3.07Å; E219-K223 VanDerWaalsContact O-N 3.15Å; E219-K223 IonicContact OE1-NZ 2.67Å; E219-K223 PolarHBondContact OE1-NZ 3.08Å; E219-K223 WeakPolarHBondContact OE2-CE 3.25Å; E219-K223 IonicContact OE2-NZ 2.91Å; E219-K223 PolarHBondContact OE2-NZ 3.44Å; E219-K223 VanDerWaalsContact OE2-NZ 3.07Å; T220-K223 PolarHBondContact O-N 3.18Å; P221-K223 VanDerWaalsContact C-N 3.33Å; P221-K223 PolarHBondContact O-N 3.3Å; K223-V225 PolarHBondContact O-N 2.82Å; K223-L226 PolarHBondContact O-N 2.78Å; K223-E227 PolarHBondContact O-N 2.98Å; K223-E227 VanDerWaalsContact O-N 3.11Å |
| 224 | K | 84.8 | Confident | 83.4 | Confident | 123 Ų | 123 | 66.3 Ų | 66.3 | 54% | 0.535 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 178.3 | -69.9 | 177.4 | -179.5 | 178.4 | 0 | 112.6 | T220 P221 E227 | T220-K224 WeakPolarHBondContact O-CG 3.41Å; T220-K224 PolarHBondContact O-N 2.82Å; P221-K224 PolarHBondContact O-N 2.82Å; K224-E227 WeakPolarHBondContact O-CB 3.42Å; K224-E227 PolarHBondContact O-N 2.81Å |
| 225 | V | 84.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -71.7 | -37.1 | 179.2 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | I170 F188 F191 P221 V222 K223 E227 K228 H231 I240 | I170-V225 HydrophobicContact CD1-CG1 4.04Å; F188-V225 HydrophobicContact CD1-CG1 4.34Å; F188-V225 HydrophobicContact CE1-CG1 3.96Å; F191-V225 HydrophobicContact CB-CG2 3.54Å; F191-V225 HydrophobicContact CD1-CG2 3.7Å; F191-V225 HydrophobicContact CD2-CG2 3.96Å; F191-V225 HydrophobicContact CE1-CG2 4.4Å; F191-V225 HydrophobicContact CG-CG2 3.45Å; F191-V225 VanDerWaalsContact CG-CG2 3.45Å; P221-V225 WeakPolarHBondContact O-CB 3.12Å; P221-V225 WeakPolarHBondContact O-CG2 3.3Å; P221-V225 PolarHBondContact O-N 3.01Å; V222-V225 PolarHBondContact O-N 3.44Å; K223-V225 PolarHBondContact O-N 2.82Å; V225-E227 VanDerWaalsContact C-N 3.3Å; V225-E227 PolarHBondContact O-N 3.36Å; V225-K228 PolarHBondContact O-N 3.39Å; V225-K228 VanDerWaalsContact O-O 3.04Å; V225-H231 PolarHBondContact O-NE2 2.72Å; V225-H231 VanDerWaalsContact O-NE2 3.14Å; V225-I240 HydrophobicContact CG1-CB 4.44Å; V225-I240 HydrophobicContact CG1-CD1 3.14Å; V225-I240 HydrophobicContact CG1-CG1 4.34Å; V225-I240 HydrophobicContact CG1-CG2 3.93Å |
| 226 | L | 83.9 | Confident | 82.3 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -71 | -22.7 | 176.3 | -73.4 | 168.5 | 0 | 0 | 0 | 113.9 | V222 K223 K228 I240 I242 | V222-L226 HydrophobicContact CG1-CD1 3.64Å; V222-L226 HydrophobicContact CG1-CG 4.32Å; V222-L226 WeakPolarHBondContact O-CB 3.16Å; V222-L226 WeakPolarHBondContact O-CD1 3.14Å; V222-L226 WeakPolarHBondContact O-CG 3.27Å; V222-L226 PolarHBondContact O-N 3.06Å; K223-L226 PolarHBondContact O-N 2.78Å; L226-K228 PolarHBondContact O-N 3.38Å; L226-I240 HydrophobicContact CD2-CG2 4.15Å; L226-I242 HydrophobicContact CD1-CD1 4.1Å; L226-I242 HydrophobicContact CD1-CG1 3.58Å; L226-I242 HydrophobicContact CD2-CG1 4.21Å |
| 227 | E | 82.7 | Confident | 82.1 | Confident | 163 Ų | 163 | 76.1 Ų | 76.1 | 76% | 0.762 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -58.9 | -37.3 | 174 | -167.9 | 176.8 | 178.4 | 0 | 0 | 111 | K223 K224 V225 | K223-E227 PolarHBondContact O-N 2.98Å; K223-E227 VanDerWaalsContact O-N 3.11Å; K224-E227 WeakPolarHBondContact O-CB 3.42Å; K224-E227 PolarHBondContact O-N 2.81Å; V225-E227 VanDerWaalsContact C-N 3.3Å; V225-E227 PolarHBondContact O-N 3.36Å |
| 228 | K | 80.1 | Confident | 82.1 | Confident | 125 Ų | 125 | 71.9 Ų | 71.9 | 54% | 0.543 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -95.8 | 97.6 | 173.4 | -70.3 | 178.7 | -175.8 | 177 | 0 | 109.7 | V225 L226 F230 H231 | V225-K228 PolarHBondContact O-N 3.39Å; V225-K228 VanDerWaalsContact O-O 3.04Å; L226-K228 PolarHBondContact O-N 3.38Å; K228-F230 PolarHBondContact O-N 2.82Å; K228-H231 WeakPolarHBondContact CB-NE2 3.42Å; K228-H231 PolarHBondContact O-CD2 3.16Å; K228-H231 PolarHBondContact O-NE2 3.47Å; K228-H231 VanDerWaalsContact O-NE2 3.16Å |
| 229 | K | 74.4 | Confident | 82.2 | Confident | 159 Ų | 159 | 71.1 Ų | 71.1 | 69% | 0.691 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -54.5 | -26.7 | 179.3 | -67.5 | -176.8 | 179.4 | 177.3 | 0 | 114.4 | I240 | K229-I240 PolarHBondContact O-N 2.81Š|
| 230 | F | 83.6 | Confident | 82.4 | Confident | 111 Ų | 111 | 68.1 Ų | 68.1 | 49% | 0.487 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 134.2 | 179.5 | -58.1 | -75.5 | 0 | 0 | 0 | 111.1 | K228 K237 C238 E239 | K228-F230 PolarHBondContact O-N 2.82Å; F230-K237 HydrophobicContact CB-CG 4.28Å; F230-K237 HydrophobicContact CD1-CD 4.27Å; F230-K237 HydrophobicContact CD1-CG 4.2Å; F230-C238 VanDerWaalsContact CA-O 3.31Å; F230-C238 WeakPolarHBondContact CA-O 3.45Å; F230-E239 HydrophobicContact CD1-CB 4.41Å; F230-E239 HydrophobicContact CE1-CB 4.38Å; F230-E239 HydrophobicContact CE1-CG 4.27Å |
| 231 | H | 83.2 | Confident | 82.4 | Confident | 6 Ų | 6 | 69.2 Ų | 69.2 | 3% | 0.028 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 158.7 | 172.7 | -71.9 | -106.4 | 0 | 0 | 0 | 109.4 | Y187 F191 V225 K228 K237 C238 I240 | Y187-H231 HydrophobicContact CE1-CB 3.98Å; Y187-H231 AromaticContact CE1-ND1 3.44Å; Y187-H231 WeakPolarHBondContact CE1-ND1 3.1Å; Y187-H231 AromaticContact CZ-ND1 3.64Å; Y187-H231 PolarHBondContact OH-ND1 3.33Å; F191-H231 AromaticContact CZ-CE1 3.62Å; F191-H231 AromaticContact CZ-ND1 3.91Å; V225-H231 PolarHBondContact O-NE2 2.72Å; V225-H231 VanDerWaalsContact O-NE2 3.14Å; K228-H231 WeakPolarHBondContact CB-NE2 3.42Å; K228-H231 PolarHBondContact O-CD2 3.16Å; K228-H231 PolarHBondContact O-NE2 3.47Å; K228-H231 VanDerWaalsContact O-NE2 3.16Å; H231-K237 CarbonylContact O-C 3.59Å; H231-K237 WeakPolarHBondContact O-CA 3.37Å; H231-C238 PolarHBondContact N-O 2.81Å; H231-C238 PolarHBondContact O-N 2.78Å; H231-I240 HydrophobicContact CB-CD1 4.27Å; H231-I240 WeakPolarHBondContact CD2-CD1 3.13Å |
| 232 | N | 82.8 | Confident | 82.3 | Confident | 102 Ų | 102 | 73 Ų | 73 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 113.2 | 174.8 | -167 | -5.4 | 0 | 0 | 0 | 107.9 | G235 S236 | N232-G235 WeakPolarHBondContact OD1-CA 3.37Å; N232-S236 WeakPolarHBondContact CA-O 3.49Å; N232-S236 PolarHBondContact OD1-N 2.89Å; N232-S236 PolarHBondContact OD1-O 2.95Å; N232-S236 VanDerWaalsContact OD1-O 3.07Å |
| 233 | V | 79.8 | Confident | 81.9 | Confident | 3 Ų | 3 | 73.1 Ų | 73.1 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 126.2 | -178.7 | -175 | 0 | 0 | 0 | 0 | 107.8 | L175 T179 V183 Y187 F188 G235 S236 | L175-V233 HydrophobicContact CD2-CB 3.83Å; L175-V233 HydrophobicContact CD2-CG1 4.02Å; L175-V233 HydrophobicContact CD2-CG2 4.47Å; T179-V233 HydrophobicContact CG2-CG1 4.33Å; V183-V233 HydrophobicContact CG1-CG1 4.17Å; Y187-V233 HydrophobicContact CD1-CG2 3.55Å; Y187-V233 HydrophobicContact CE1-CG2 3.77Å; Y187-V233 HydrophobicContact CG-CG2 3.96Å; F188-V233 HydrophobicContact CE2-CG2 4.15Å; F188-V233 HydrophobicContact CZ-CG2 4.39Å; V233-G235 PolarHBondContact O-N 2.7Å; V233-S236 PolarHBondContact N-O 2.85Å; V233-S236 PolarHBondContact O-N 2.87Å; V233-S236 VanDerWaalsContact O-N 3.07Å |
| 234 | S | 72 | Confident | 81.3 | Confident | 72 Ų | 72 | 72 Ų | 72 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 32.1 | -179.7 | -169.1 | 0 | 0 | 0 | 0 | 114 | T179 S236 | T179-S234 WeakPolarHBondContact OG1-CB 3.44Å; S234-S236 VanDerWaalsContact C-N 3.29Å; S234-S236 PolarHBondContact O-N 3.43Å |
| 235 | G | 73.9 | Confident | 80.3 | Confident | 68 Ų | 68 | 70 Ų | 70 | 70% | 0.701 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.8 | 0.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | N232 V233 | N232-G235 WeakPolarHBondContact OD1-CA 3.37Å; V233-G235 PolarHBondContact O-N 2.7Å |
| 236 | S | 79.8 | Confident | 79.1 | Confident | 22 Ų | 22 | 78.1 Ų | 78.1 | 15% | 0.154 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 139.3 | 175.6 | -84.2 | 0 | 0 | 0 | 0 | 112.7 | N176 N232 V233 S234 C238 | N176-S236 PolarHBondContact ND2-OG 3.06Å; N176-S236 PolarHBondContact OD1-OG 3.1Å; N232-S236 WeakPolarHBondContact CA-O 3.49Å; N232-S236 PolarHBondContact OD1-N 2.89Å; N232-S236 PolarHBondContact OD1-O 2.95Å; N232-S236 VanDerWaalsContact OD1-O 3.07Å; V233-S236 PolarHBondContact N-O 2.85Å; V233-S236 PolarHBondContact O-N 2.87Å; V233-S236 VanDerWaalsContact O-N 3.07Å; S234-S236 VanDerWaalsContact C-N 3.29Å; S234-S236 PolarHBondContact O-N 3.43Å; S236-C238 PolarHBondContact O-N 2.98Å; S236-C238 PolarHBondContact O-SG 3.39Å; S236-C238 VanDerWaalsContact O-SG 3.32Å |
| 237 | K | 85.1 | Confident | 77.8 | Confident | 138 Ų | 138 | 83 Ų | 83 | 60% | 0.6 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 109.3 | 177.3 | -175.9 | 177.4 | 176.6 | 179.6 | 0 | 110 | F230 H231 | F230-K237 HydrophobicContact CB-CG 4.28Å; F230-K237 HydrophobicContact CD1-CD 4.27Å; F230-K237 HydrophobicContact CD1-CG 4.2Å; H231-K237 CarbonylContact O-C 3.59Å; H231-K237 WeakPolarHBondContact O-CA 3.37Å |
| 238 | C | 87.1 | Confident | 76.6 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 137.3 | 178.7 | -45.1 | 0 | 0 | 0 | 0 | 111.1 | V172 G173 L175 F230 H231 S236 | V172-C238 HydrophobicContact CG1-CB 3.79Å; G173-C238 CarbonylContact O-C 3.59Å; G173-C238 WeakPolarHBondContact O-CA 3.37Å; L175-C238 HydrophobicContact CD2-CB 4.5Å; L175-C238 WeakPolarHBondContact CD2-SG 3.44Å; L175-C238 HydrophobicContact CG-CB 4.5Å; F230-C238 VanDerWaalsContact CA-O 3.31Å; F230-C238 WeakPolarHBondContact CA-O 3.45Å; H231-C238 PolarHBondContact N-O 2.81Å; H231-C238 PolarHBondContact O-N 2.78Å; S236-C238 PolarHBondContact O-N 2.98Å; S236-C238 PolarHBondContact O-SG 3.39Å; S236-C238 VanDerWaalsContact O-SG 3.32Å |
| 239 | E | 86.3 | Confident | 75.5 | Confident | 75 Ų | 75 | 78.9 Ų | 78.9 | 35% | 0.35 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 134.6 | 172 | -174.1 | -174 | -161.5 | 0 | 0 | 109.5 | V172 G173 F230 K241 | V172-E239 CarbonylContact C-O 3.57Å; V172-E239 WeakPolarHBondContact CA-O 3.46Å; G173-E239 PolarHBondContact N-O 2.96Å; G173-E239 PolarHBondContact O-N 3.34Å; F230-E239 HydrophobicContact CD1-CB 4.41Å; F230-E239 HydrophobicContact CE1-CB 4.38Å; F230-E239 HydrophobicContact CE1-CG 4.27Å; E239-K241 VanDerWaalsContact CD-CE 3.41Å; E239-K241 WeakPolarHBondContact OE1-CE 3.48Å; E239-K241 IonicContact OE1-NZ 3.84Å; E239-K241 PolarHBondContact OE1-NZ 3.18Å; E239-K241 IonicContact OE2-NZ 3.07Å; E239-K241 PolarHBondContact OE2-NZ 2.85Å |
| 240 | I | 88 | Confident | 74.5 | Confident | 11 Ų | 11 | 76.4 Ų | 76.4 | 6% | 0.056 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.6 | -179.9 | -50.8 | -174.6 | 0 | 0 | 0 | 110.5 | I170 F171 V172 F188 V225 L226 K229 H231 | I170-I240 HydrophobicContact CB-CG2 4.19Å; I170-I240 HydrophobicContact CD1-CG2 4.2Å; F171-I240 CarbonylContact O-C 3.46Å; F171-I240 WeakPolarHBondContact O-CA 3.27Å; V172-I240 HydrophobicContact CG1-CG1 4.39Å; V172-I240 HydrophobicContact CG2-CD1 4.44Å; V172-I240 HydrophobicContact CG2-CG1 4.31Å; F188-I240 HydrophobicContact CE1-CD1 3.52Å; F188-I240 HydrophobicContact CZ-CD1 3.85Å; V225-I240 HydrophobicContact CG1-CB 4.44Å; V225-I240 HydrophobicContact CG1-CD1 3.14Å; V225-I240 HydrophobicContact CG1-CG1 4.34Å; V225-I240 HydrophobicContact CG1-CG2 3.93Å; L226-I240 HydrophobicContact CD2-CG2 4.15Å; K229-I240 PolarHBondContact O-N 2.81Å; H231-I240 HydrophobicContact CB-CD1 4.27Å; H231-I240 WeakPolarHBondContact CD2-CD1 3.13Å |
| 241 | K | 85.8 | Confident | 73.1 | Confident | 98 Ų | 98 | 78.6 Ų | 78.6 | 43% | 0.426 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 155.7 | 177.2 | -69.9 | 174.7 | 169.2 | 141.9 | 0 | 109.6 | F171 E239 A243 | F171-K241 HydrophobicContact CB-CB 4.42Å; F171-K241 HydrophobicContact CD1-CB 4.11Å; F171-K241 PolarHBondContact N-O 3.33Å; F171-K241 PolarHBondContact O-N 3.48Å; E239-K241 VanDerWaalsContact CD-CE 3.41Å; E239-K241 WeakPolarHBondContact OE1-CE 3.48Å; E239-K241 IonicContact OE1-NZ 3.84Å; E239-K241 PolarHBondContact OE1-NZ 3.18Å; E239-K241 IonicContact OE2-NZ 3.07Å; E239-K241 PolarHBondContact OE2-NZ 2.85Å; K241-A243 PolarHBondContact O-N 3.39Å |
| 242 | I | 83.1 | Confident | 71.7 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 43% | 0.426 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 126.7 | 165.4 | -73.8 | 171.9 | 0 | 0 | 0 | 108.1 | V167 L226 Q244 | V167-I242 HydrophobicContact CB-CG2 3.81Å; V167-I242 HydrophobicContact CG1-CG2 3.71Å; V167-I242 HydrophobicContact CG2-CB 4.27Å; V167-I242 HydrophobicContact CG2-CD1 4.02Å; V167-I242 HydrophobicContact CG2-CG1 3.93Å; V167-I242 HydrophobicContact CG2-CG2 3.49Å; V167-I242 VanDerWaalsContact CG2-CG2 3.49Å; L226-I242 HydrophobicContact CD1-CD1 4.1Å; L226-I242 HydrophobicContact CD1-CG1 3.58Å; L226-I242 HydrophobicContact CD2-CG1 4.21Å; I242-Q244 PolarHBondContact O-N 2.92Å |
| 243 | A | 75 | Confident | 70.2 | Confident | 5 Ų | 5 | 85.6 Ų | 85.6 | 4% | 0.041 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 118.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | K169 F171 F213 K241 | K169-A243 HydrophobicContact CB-CB 3.84Å; K169-A243 HydrophobicContact CD-CB 4.24Å; K169-A243 HydrophobicContact CG-CB 3.63Å; K169-A243 WeakPolarHBondContact O-CB 3.27Å; K169-A243 PolarHBondContact O-N 3.1Å; K169-A243 VanDerWaalsContact O-N 3.07Å; F171-A243 HydrophobicContact CB-CB 4.42Å; F213-A243 HydrophobicContact CD1-CB 3.87Å; F213-A243 HydrophobicContact CE1-CB 4.11Å; K241-A243 PolarHBondContact O-N 3.39Å |
| 244 | Q | 72 | Confident | 68.6 | Low | 98 Ų | 98 | 94.3 Ų | 94.3 | 46% | 0.458 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 139.1 | 169 | -64.6 | -173.3 | 1.8 | 0 | 0 | 108.6 | I242 | I242-Q244 PolarHBondContact O-N 2.92Š|
| 245 | P | 64.1 | Low | 67.3 | Low | 79 Ų | 79 | 94 Ų | 94 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -60 | 145.1 | 174 | 24.5 | -31.5 | 0 | 0 | 0 | 109.7 | E247 V248 Y249 | P245-E247 PolarHBondContact O-N 3.09Å; P245-V248 HydrophobicContact CG-CB 4.38Å; P245-V248 HydrophobicContact CG-CG2 3.81Å; P245-V248 PolarHBondContact O-N 3.23Å; P245-Y249 PolarHBondContact O-N 3.22Å |
| 246 | K | 58.6 | Low | 66 | Low | 171 Ų | 171 | 94.1 Ų | 94.1 | 74% | 0.743 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -53.8 | -32 | -174.2 | -170.4 | 177.3 | 176.8 | -176.9 | 0 | 112.8 | Y249 Q250 | K246-Y249 PolarHBondContact O-N 3.34Å; K246-Q250 WeakPolarHBondContact O-CB 3.14Å; K246-Q250 PolarHBondContact O-N 3.25Å |
| 247 | E | 57.1 | Low | 64.3 | Low | 155 Ų | 155 | 104.5 Ų | 104.5 | 72% | 0.724 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -38.9 | 177.3 | -76.2 | 167 | 152 | 0 | 0 | 113.3 | P245 Q250 Q251 | P245-E247 PolarHBondContact O-N 3.09Å; E247-Q250 PolarHBondContact O-N 3.31Å; E247-Q251 WeakPolarHBondContact O-CB 3.49Å; E247-Q251 PolarHBondContact O-N 2.82Å |
| 248 | V | 56.4 | Low | 62.2 | Low | 56 Ų | 56 | 101.6 Ų | 101.6 | 34% | 0.339 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.3 | -37.6 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 110.7 | P245 Q251 Q252 | P245-V248 HydrophobicContact CG-CB 4.38Å; P245-V248 HydrophobicContact CG-CG2 3.81Å; P245-V248 PolarHBondContact O-N 3.23Å; V248-Q251 PolarHBondContact O-N 2.99Å; V248-Q252 PolarHBondContact O-N 2.86Å; V248-Q252 VanDerWaalsContact O-N 3.08Å |
| 249 | Y | 56.9 | Low | 60.2 | Low | 144 Ų | 144 | 105.7 Ų | 105.7 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -69 | -38.9 | 177.3 | -150.7 | -93.4 | 0 | 0 | 0 | 111.9 | P245 K246 Q251 Q252 Q253 | P245-Y249 PolarHBondContact O-N 3.22Å; K246-Y249 PolarHBondContact O-N 3.34Å; Y249-Q251 VanDerWaalsContact C-N 3.34Å; Y249-Q252 PolarHBondContact O-N 3.42Å; Y249-Q253 WeakPolarHBondContact O-CB 3.41Å; Y249-Q253 PolarHBondContact O-N 3.23Å |
| 250 | Q | 54.4 | Low | 58.1 | Low | 108 Ų | 108 | 106.2 Ų | 106.2 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -67.7 | -35.6 | 177.2 | -147.9 | 167.2 | 28.1 | 0 | 0 | 111.4 | K246 E247 Y254 | K246-Q250 WeakPolarHBondContact O-CB 3.14Å; K246-Q250 PolarHBondContact O-N 3.25Å; E247-Q250 PolarHBondContact O-N 3.31Å; Q250-Y254 HydrophobicContact CG-CD2 4.33Å; Q250-Y254 HydrophobicContact CG-CE2 4.44Å; Q250-Y254 WeakPolarHBondContact O-CB 3.38Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.48Å; Q250-Y254 PolarHBondContact O-N 2.95Å; Q250-Y254 VanDerWaalsContact O-N 3.1Å |
| 251 | Q | 53.3 | Low | 56.1 | Low | 156 Ų | 156 | 109.2 Ų | 109.2 | 73% | 0.729 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -71.4 | -34.4 | 176 | -153.6 | 170.1 | 53.2 | 0 | 0 | 112.7 | E247 V248 Y249 G255 | E247-Q251 WeakPolarHBondContact O-CB 3.49Å; E247-Q251 PolarHBondContact O-N 2.82Å; V248-Q251 PolarHBondContact O-N 2.99Å; Y249-Q251 VanDerWaalsContact C-N 3.34Å; Q251-G255 PolarHBondContact O-N 2.99Å |
| 252 | Q | 54.3 | Low | 53.9 | Low | 118 Ų | 118 | 116.6 Ų | 116.6 | 55% | 0.551 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.3 | -37.2 | 173.7 | -76 | 173.1 | 29.8 | 0 | 0 | 112.7 | V248 Y249 G255 | V248-Q252 PolarHBondContact O-N 2.86Å; V248-Q252 VanDerWaalsContact O-N 3.08Å; Y249-Q252 PolarHBondContact O-N 3.42Å; Q252-G255 PolarHBondContact O-N 3.35Å |
| 253 | Q | 50.7 | Low | 51.7 | Low | 138 Ų | 138 | 115.9 Ų | 115.9 | 65% | 0.645 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.8 | -27.1 | 179.5 | -157.1 | 172.8 | 3.1 | 0 | 0 | 112.7 | Y249 | Y249-Q253 WeakPolarHBondContact O-CB 3.41Å; Y249-Q253 PolarHBondContact O-N 3.23Å |
| 254 | Y | 47.1 | Very low | 49.9 | Very low | 185 Ų | 185 | 127.2 Ų | 127.2 | 73% | 0.725 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -94.2 | -13.7 | 173.1 | -80.4 | -93.4 | 0 | 0 | 0 | 114.3 | Q250 G256 | Q250-Y254 HydrophobicContact CG-CD2 4.33Å; Q250-Y254 HydrophobicContact CG-CE2 4.44Å; Q250-Y254 WeakPolarHBondContact O-CB 3.38Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.48Å; Q250-Y254 PolarHBondContact O-N 2.95Å; Q250-Y254 VanDerWaalsContact O-N 3.1Å; Y254-G256 VanDerWaalsContact C-N 3.34Å |
| 255 | G | 43.3 | Very low | 48.6 | Very low | 65 Ų | 65 | 126.7 Ų | 126.7 | 67% | 0.67 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -77.6 | -15.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q251 Q252 | Q251-G255 PolarHBondContact O-N 2.99Å; Q252-G255 PolarHBondContact O-N 3.35Å |
| 256 | G | 47.8 | Very low | 47.2 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 0.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116 | Y254 | Y254-G256 VanDerWaalsContact C-N 3.34Š|
| 257 | R | 44.4 | Very low | 46.1 | Very low | 241 Ų | 241 | 129.8 Ų | 129.8 | 91% | 0.909 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -141.9 | 53.7 | -177.3 | -149.3 | -178.5 | -165.7 | -163.3 | 4.2 | 112.1 | ||
| 258 | G | 40.9 | Very low | 45 | Very low | 76 Ų | 76 | 126.2 Ų | 126.2 | 78% | 0.784 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -163.2 | 31.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 259 | G | 44.9 | Very low | 44.2 | Very low | 86 Ų | 86 | 132.7 Ų | 132.7 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | trans | -134.1 | 66.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 260 | G | 41.8 | Very low | 43.1 | Very low | 86 Ų | 86 | 129.2 Ų | 129.2 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -163.3 | 44.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 261 | G | 45.4 | Very low | 42.3 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -135.4 | 21.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 262 | R | 41 | Very low | 41.1 | Very low | 254 Ų | 254 | 132.1 Ų | 132.1 | 96% | 0.958 | 80% | 0.799 | S | S | * | * | trans | -150.6 | 100.7 | 165.1 | -70 | -167.2 | -173.8 | 166.8 | 3.2 | 110 | ||||
| 263 | G | 36.5 | Very low | 39.8 | Very low | 68 Ų | 68 | 137.5 Ų | 137.5 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | 168 | 82.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 264 | R | 36.8 | Very low | 39 | Very low | 242 Ų | 242 | 137.7 Ų | 137.7 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | 65.5 | 118.1 | 136.5 | -65.7 | -179.9 | 176.7 | 178.2 | -1.1 | 117.8 | R266 | R264-R266 PolarHBondContact O-N 3.07Š| ||
| 265 | G | 45.7 | Very low | 38.4 | Very low | 87 Ų | 87 | 137.9 Ų | 137.9 | 90% | 0.897 | 83% | 0.828 | S | S | * | * | trans | -46.5 | 129.2 | 147.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 266 | R | 34.9 | Very low | 37.7 | Very low | 241 Ų | 241 | 138.3 Ų | 138.3 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | -146 | 99.8 | 155.3 | -157.9 | 179.1 | -166.6 | -167.1 | 2.8 | 102.9 | R264 | R264-R266 PolarHBondContact O-N 3.07Š| ||
| 267 | G | 34.7 | Very low | 36.9 | Very low | 74 Ų | 74 | 139.1 Ų | 139.1 | 76% | 0.763 | 84% | 0.84 | S | S | * | * | 78 | 63.1 | 94.6 | 0 | 0 | 0 | 0 | 0 | 108 | Q269 | G267-Q269 PolarHBondContact O-N 2.91Š| |||
| 268 | G | 34.1 | Very low | 36.2 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | -66.8 | 112 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | G270 | G268-G270 PolarHBondContact O-N 3.4Å; G268-G270 VanDerWaalsContact O-N 3.07Å | ||
| 269 | Q | 38.7 | Very low | 35.7 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 90% | 0.897 | 84% | 0.843 | S | S | * | * | trans | -64.1 | 97.7 | 173.8 | -166.5 | 161.4 | 6.6 | 0 | 0 | 108.4 | G267 | G267-Q269 PolarHBondContact O-N 2.91Š| ||
| 270 | G | 34.3 | Very low | 35 | Very low | 72 Ų | 72 | 131.1 Ų | 131.1 | 74% | 0.742 | 83% | 0.833 | S | S | * | * | trans | -124.8 | 106.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109 | G268 N272 | G268-G270 PolarHBondContact O-N 3.4Å; G268-G270 VanDerWaalsContact O-N 3.07Å; G270-N272 PolarHBondContact O-N 3.5Å | ||
| 271 | Q | 37.1 | Very low | 34.5 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -63.5 | 127.1 | -177.3 | -68.8 | 151.7 | -15.3 | 0 | 0 | 110.7 | W273 | Q271-W273 PolarHBondContact O-N 3.07Š| ||
| 272 | N | 28 | Very low | 33.8 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | trans | -78.8 | 106.2 | 167.2 | -173.7 | 32.4 | 0 | 0 | 0 | 108.6 | G270 | G270-N272 PolarHBondContact O-N 3.5Š| ||
| 273 | W | 28.6 | Very low | 33.3 | Very low | 230 Ų | 230 | 135 Ų | 135 | 87% | 0.871 | 82% | 0.819 | S | S | * | * | trans | -113.7 | 119.2 | 156.7 | -89.2 | 97.3 | 0 | 0 | 0 | 108.8 | Q271 Q275 | Q271-W273 PolarHBondContact O-N 3.07Å; W273-Q275 PolarHBondContact O-N 3.5Å | ||
| 274 | N | 33.6 | Very low | 33 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | -71.9 | 112.5 | 170.8 | 179 | 8.2 | 0 | 0 | 0 | 110 | ||||
| 275 | Q | 33 | Very low | 32.5 | Very low | 190 Ų | 190 | 137.1 Ų | 137.1 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | trans | -170.3 | 108.8 | 155 | -137.3 | 172.5 | 84.7 | 0 | 0 | 104.8 | W273 | W273-Q275 PolarHBondContact O-N 3.5Š| ||
| 276 | G | 30.1 | Very low | 31.7 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | 107 | 106.1 | 58.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 277 | G | 29.8 | Very low | 31.4 | Very low | 88 Ų | 88 | 135.1 Ų | 135.1 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | 105.4 | 127.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 278 | G | 30.7 | Very low | 31 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 88% | 0.876 | 78% | 0.782 | S | S | * | * | trans | 93.9 | 96.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 279 | G | 29.9 | Very low | 30.7 | Very low | 86 Ų | 86 | 142.3 Ų | 142.3 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | cis | 104.8 | 109.3 | 46.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 280 | G | 31.3 | Very low | 30.3 | Very low | 65 Ų | 65 | 136.5 Ų | 136.5 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | trans | 162.1 | 74.1 | 175 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 281 | Y | 31.2 | Very low | 30 | Very low | 224 Ų | 224 | 139.4 Ų | 139.4 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | 48.1 | 102.8 | 140.6 | -56.6 | -80.7 | 0 | 0 | 0 | 121.4 | ||||
| 282 | N | 30.2 | Very low | 29.6 | Very low | 143 Ų | 143 | 138.9 Ų | 138.9 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | 54.6 | 142.6 | 115 | -102.8 | -12.8 | 0 | 0 | 0 | 123.6 | |||||
| 283 | N | 29.7 | Very low | 29.6 | Very low | 128 Ų | 128 | 134.5 Ų | 134.5 | 68% | 0.684 | 77% | 0.767 | S | S | * | * | trans | 84.8 | 135.7 | 150.5 | -80.9 | 10.9 | 0 | 0 | 0 | 118 | ||||
| 284 | Y | 29.8 | Very low | 29.6 | Very low | 171 Ų | 171 | 134.9 Ų | 134.9 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | cis | -173.5 | 129.8 | -1.1 | -161.7 | -107.8 | 0 | 0 | 0 | 106.9 | ||||
| 285 | W | 26.8 | Very low | 29.3 | Very low | 184 Ų | 184 | 131.2 Ų | 131.2 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | trans | 68.8 | 117.7 | 149.7 | -69.3 | 57.8 | 0 | 0 | 0 | 120.4 | ||||
| 286 | N | 29 | Very low | 29.1 | Very low | 113 Ų | 113 | 133.9 Ų | 133.9 | 60% | 0.604 | 77% | 0.769 | S | S | * | * | 69 | 96.8 | 75.9 | -156.1 | -92.1 | 0 | 0 | 0 | 111.1 | |||||
| 287 | Q | 28.2 | Very low | 29.1 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | 87.9 | 133.2 | 89 | -161.6 | 152.5 | 16.9 | 0 | 0 | 113.2 | |||||
| 288 | G | 26.5 | Very low | 29.2 | Very low | 60 Ų | 60 | 133.3 Ų | 133.3 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | trans | 117.6 | 114.5 | 143.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 289 | Y | 28.7 | Very low | 29.5 | Very low | 246 Ų | 246 | 137 Ų | 137 | 97% | 0.965 | 76% | 0.758 | S | S | * | * | trans | 52.7 | 130.9 | 133 | -78.8 | -92.3 | 0 | 0 | 0 | 121.5 | ||||
| 290 | G | 28.9 | Very low | 29.6 | Very low | 69 Ų | 69 | 140.8 Ų | 140.8 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | 124.9 | 111.3 | 126.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 291 | N | 29.3 | Very low | 29.5 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | 63 | 122.2 | 120.1 | -141.5 | -94.8 | 0 | 0 | 0 | 120.6 | |||||
| 292 | Q | 28.1 | Very low | 29.5 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | 57.5 | 127.4 | 140.1 | -83.3 | 62.7 | -22 | 0 | 0 | 120.9 | ||||
| 293 | G | 28 | Very low | 29.6 | Very low | 61 Ų | 61 | 138.7 Ų | 138.7 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | 122.5 | 119 | 118.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 294 | Y | 28.6 | Very low | 29.6 | Very low | 238 Ų | 238 | 136 Ų | 136 | 93% | 0.933 | 76% | 0.762 | S | S | * | * | trans | 54.2 | 120.6 | 141.1 | -71.5 | -90.4 | 0 | 0 | 0 | 120.9 | ||||
| 295 | G | 27 | Very low | 29.7 | Very low | 65 Ų | 65 | 139.5 Ų | 139.5 | 67% | 0.67 | 78% | 0.776 | S | S | * | * | 123.9 | 112 | 110.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 296 | Y | 28.6 | Very low | 30 | Very low | 245 Ų | 245 | 134.2 Ų | 134.2 | 96% | 0.961 | 78% | 0.779 | S | S | * | * | trans | 76.1 | 131.4 | 133.1 | -87.2 | -91.8 | 0 | 0 | 0 | 123.5 | ||||
| 297 | G | 31.5 | Very low | 30.2 | Very low | 73 Ų | 73 | 131.6 Ų | 131.6 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | 124.7 | 91.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 298 | G | 32.2 | Very low | 30.4 | Very low | 77 Ų | 77 | 134.7 Ų | 134.7 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | 81.7 | 120 | 67.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 299 | Q | 36.3 | Very low | 30.7 | Very low | 162 Ų | 162 | 135 Ų | 135 | 76% | 0.757 | 79% | 0.787 | S | S | * | * | cis | -173.4 | 150.4 | 45.4 | -96.1 | 174.2 | -10.1 | 0 | 0 | 111.4 | ||||
| 300 | Q | 32 | Very low | 30.6 | Very low | 165 Ų | 165 | 129.7 Ų | 129.7 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | 65.1 | 118.1 | 142.5 | -62.1 | 154 | 27.3 | 0 | 0 | 118.2 | ||||
| 301 | G | 29.1 | Very low | 30.7 | Very low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | cis | 117.2 | 119.5 | 13.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 302 | Y | 30.1 | Very low | 30.6 | Very low | 242 Ų | 242 | 134.4 Ų | 134.4 | 95% | 0.949 | 77% | 0.772 | S | S | * | * | trans | -171.6 | 117.6 | 141.5 | -115.5 | -82.3 | 0 | 0 | 0 | 112.2 | ||||
| 303 | G | 32.8 | Very low | 30.6 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 81% | 0.814 | 78% | 0.775 | S | S | * | * | trans | 75.7 | 114.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 304 | G | 29.8 | Very low | 30.8 | Very low | 72 Ų | 72 | 138.3 Ų | 138.3 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | cis | 102.9 | 88.9 | 7.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 305 | Y | 31.5 | Very low | 30.8 | Very low | 245 Ų | 245 | 131.6 Ų | 131.6 | 96% | 0.961 | 77% | 0.771 | S | S | * | * | trans | -167.3 | 105.5 | 150.3 | -101.8 | -84.6 | 0 | 0 | 0 | 103.9 | ||||
| 306 | G | 34.6 | Very low | 30.9 | Very low | 73 Ų | 73 | 131.4 Ų | 131.4 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | cis | 102.6 | 120.8 | 45.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 307 | G | 33.1 | Very low | 31 | Very low | 58 Ų | 58 | 131.4 Ų | 131.4 | 60% | 0.598 | 77% | 0.768 | S | S | * | * | cis | 166.4 | 173.1 | -2.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 308 | Y | 32.5 | Very low | 30.9 | Very low | 237 Ų | 237 | 131 Ų | 131 | 93% | 0.929 | 77% | 0.765 | S | S | * | * | trans | 68.3 | 137 | 151.1 | -42 | -79.5 | 0 | 0 | 0 | 118.1 | ||||
| 309 | G | 31.4 | Very low | 30.8 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | cis | 165.7 | 137.3 | 9.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 310 | N | 28 | Very low | 30.5 | Very low | 135 Ų | 135 | 135.1 Ų | 135.1 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | 69.3 | 127.9 | 82.1 | -158 | -75.7 | 0 | 0 | 0 | 110.3 | |||||
| 311 | Y | 29.6 | Very low | 30.6 | Very low | 181 Ų | 181 | 130.8 Ų | 130.8 | 71% | 0.71 | 77% | 0.774 | S | S | * | * | cis | -169.9 | 149.1 | 18.8 | -122.1 | -144.3 | 0 | 0 | 0 | 106.7 | ||||
| 312 | D | 27.7 | Very low | 30.7 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 65% | 0.652 | 77% | 0.774 | S | S | * | * | 86.4 | 120.1 | 104.1 | -153.6 | -24.9 | 0 | 0 | 0 | 114.4 | |||||
| 313 | Y | 28.4 | Very low | 30.8 | Very low | 210 Ų | 210 | 130.3 Ų | 130.3 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | 175.5 | 119.1 | 121 | -141.8 | -107.7 | 0 | 0 | 0 | 114 | |||||
| 314 | S | 31.1 | Very low | 30.8 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 77% | 0.769 | S | S | * | * | trans | 4.4 | 135.2 | 144.1 | -160.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 315 | A | 30.5 | Very low | 30.8 | Very low | 98 Ų | 98 | 140.9 Ų | 140.9 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | 151.7 | 130.6 | 106.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 316 | G | 28.9 | Very low | 30.9 | Very low | 60 Ų | 60 | 135.2 Ų | 135.2 | 62% | 0.619 | 76% | 0.764 | S | S | * | * | 117.9 | 107.4 | 129.5 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 317 | Y | 29.7 | Very low | 30.9 | Very low | 245 Ų | 245 | 140.7 Ų | 140.7 | 96% | 0.961 | 77% | 0.77 | S | S | * | * | trans | 57.8 | 130 | 145.2 | -54.9 | -87.6 | 0 | 0 | 0 | 119 | ||||
| 318 | G | 29.1 | Very low | 30.7 | Very low | 66 Ų | 66 | 141.8 Ų | 141.8 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | cis | 138.3 | 130.9 | 16.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 319 | Y | 31.4 | Very low | 30.7 | Very low | 247 Ų | 247 | 138.4 Ų | 138.4 | 97% | 0.969 | 78% | 0.779 | S | S | * | * | trans | 158.9 | 116.6 | 138.3 | -100.1 | -84.7 | 0 | 0 | 0 | 114.8 | ||||
| 320 | G | 30.3 | Very low | 30.8 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | 79 | 117.5 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 321 | G | 33.3 | Very low | 31 | Very low | 74 Ų | 74 | 136.4 Ų | 136.4 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | cis | 85.4 | 108.2 | 29.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 322 | G | 31.8 | Very low | 31.1 | Very low | 66 Ų | 66 | 139.9 Ų | 139.9 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | cis | 117 | 104.4 | 14.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 323 | Y | 31 | Very low | 31.3 | Very low | 233 Ų | 233 | 137.8 Ų | 137.8 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | trans | -143.6 | 119.7 | 158.8 | -26 | -78.7 | 0 | 0 | 0 | 110.9 | ||||
| 324 | D | 33 | Very low | 31.6 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | -101.9 | 144 | 168.9 | -164.5 | -66.6 | 0 | 0 | 0 | 107.1 | N326 | D324-N326 PolarHBondContact OD1-N 3.47Š| ||
| 325 | Y | 30.3 | Very low | 32.1 | Very low | 233 Ų | 233 | 139.8 Ų | 139.8 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -144.7 | 115.3 | 152.3 | -127.5 | -87.7 | 0 | 0 | 0 | 110.3 | ||||
| 326 | N | 34.3 | Very low | 32.9 | Very low | 127 Ų | 127 | 141 Ų | 141 | 68% | 0.679 | 81% | 0.814 | S | S | * | * | trans | -73.4 | 156.6 | 170.1 | -174.1 | -3.9 | 0 | 0 | 0 | 111.5 | D324 | D324-N326 PolarHBondContact OD1-N 3.47Š| ||
| 327 | Q | 34.1 | Very low | 33.3 | Very low | 187 Ų | 187 | 150.1 Ų | 150.1 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | trans | 130.2 | 123.7 | 134.4 | -158.5 | 168.5 | 84.2 | 0 | 0 | 115.1 | ||||
| 328 | G | 29 | Very low | 33.6 | Very low | 82 Ų | 82 | 149.9 Ų | 149.9 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | 162.5 | 87.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 329 | N | 32.6 | Very low | 33.8 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 89% | 0.888 | 83% | 0.831 | S | S | * | * | trans | -82 | 135.4 | 170.6 | 178.2 | 8.6 | 0 | 0 | 0 | 111.3 | ||||
| 330 | A | 32.5 | Very low | 33.9 | Very low | 95 Ų | 95 | 142 Ų | 142 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | 175.3 | 123.6 | 144.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 331 | G | 31.7 | Very low | 34.3 | Very low | 62 Ų | 62 | 147.6 Ų | 147.6 | 64% | 0.639 | 83% | 0.826 | S | S | * | * | trans | -85.6 | 162.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 332 | Y | 31.6 | Very low | 34.5 | Very low | 254 Ų | 254 | 153.3 Ų | 153.3 | 100% | 0.996 | 83% | 0.833 | S | S | * | * | trans | -175.7 | 139.2 | 145 | -94.3 | -72 | 0 | 0 | 0 | 109 | ||||
| 333 | G | 32.4 | Very low | 34.9 | Very low | 78 Ų | 78 | 155.9 Ų | 155.9 | 80% | 0.804 | 84% | 0.841 | S | S | * | * | trans | 125.4 | 70.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 334 | K | 35.5 | Very low | 35.4 | Very low | 207 Ų | 207 | 150.4 Ų | 150.4 | 90% | 0.9 | 84% | 0.837 | S | S | * | * | trans | -73.9 | 138.8 | 154.9 | -74 | -174.8 | 175.9 | -178.7 | 0 | 109.9 | ||||
| 335 | T | 41.2 | Very low | 35.6 | Very low | 139 Ų | 139 | 154.3 Ų | 154.3 | 85% | 0.853 | 84% | 0.843 | S | S | * | * | trans | -139.7 | 139.6 | 142 | 42.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 336 | P | 46.5 | Very low | 36.4 | Very low | 122 Ų | 122 | 152.7 Ų | 152.7 | 79% | 0.792 | 84% | 0.84 | S | S | * | * | trans | -96.2 | 138.9 | -178 | 35.1 | -30 | 0 | 0 | 0 | 112.1 | ||||
| 337 | R | 37.3 | Very low | 37.4 | Very low | 253 Ų | 253 | 152 Ų | 152 | 96% | 0.955 | 84% | 0.843 | S | S | * | * | trans | -118 | 90 | 163.1 | -96.5 | -168.5 | 175.9 | 179 | 0.5 | 111.8 | ||||
| 338 | R | 36.1 | Very low | 38.4 | Very low | 239 Ų | 239 | 157.8 Ų | 157.8 | 90% | 0.902 | 86% | 0.859 | S | S | * | * | trans | 12.7 | 119 | 132 | -162.4 | 173.9 | -171 | 166.1 | 2.1 | 116.5 | ||||
| 339 | G | 33 | Very low | 38.8 | Very low | 73 Ų | 73 | 161.6 Ų | 161.6 | 75% | 0.753 | 86% | 0.859 | S | S | * | * | trans | -69.1 | 164.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 340 | G | 34.6 | Very low | 39.2 | Very low | 75 Ų | 75 | 161.4 Ų | 161.4 | 77% | 0.773 | 86% | 0.858 | S | S | * | * | trans | -159.3 | 76.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 341 | H | 37.8 | Very low | 39.5 | Very low | 194 Ų | 194 | 165.1 Ų | 165.1 | 90% | 0.898 | 86% | 0.862 | S | S | * | * | trans | -89.7 | 107.2 | 159.5 | -72 | -76.1 | 0 | 0 | 0 | 107.5 | ||||
| 342 | Q | 38.2 | Very low | 40 | Very low | 194 Ų | 194 | 171.1 Ų | 171.1 | 91% | 0.907 | 88% | 0.875 | S | S | * | * | trans | -86.7 | 108.1 | 161.3 | -73.4 | -172.9 | -66 | 0 | 0 | 107.7 | ||||
| 343 | S | 39.9 | Very low | 40.5 | Very low | 120 Ų | 120 | 165.9 Ų | 165.9 | 84% | 0.839 | 87% | 0.868 | S | S | * | * | trans | -104 | 116.3 | 156.7 | -78.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 344 | S | 41.1 | Very low | 41.1 | Very low | 118 Ų | 118 | 171.8 Ų | 171.8 | 83% | 0.825 | 87% | 0.872 | S | S | * | * | trans | -72.9 | 117.5 | 168.3 | -73.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 345 | Y | 38.4 | Very low | 41.5 | Very low | 223 Ų | 223 | 169.3 Ų | 169.3 | 88% | 0.875 | 87% | 0.87 | S | S | * | * | trans | -152.7 | 121.4 | 152.3 | -141.9 | -101 | 0 | 0 | 0 | 109.5 | ||||
| 346 | K | 45.8 | Very low | 41.5 | Very low | 199 Ų | 199 | 171.6 Ų | 171.6 | 87% | 0.865 | 87% | 0.871 | S | S | * | * | trans | -111.6 | 132 | 171.3 | -87.4 | 177.4 | 172.1 | 179.4 | 0 | 107.9 | ||||
| 347 | P | 57.1 | Low | 41.1 | Very low | 113 Ų | 113 | 175.8 Ų | 175.8 | 73% | 0.734 | 88% | 0.878 | S | S | * | * | trans | -88 | 151.8 | 166.3 | 34.5 | -28.9 | 0 | 0 | 0 | 110.8 | ||||
| 348 | Y | 53.4 | Low | 41.4 | Very low | 308 Ų | 308 | 168.7 Ų | 168.7 | 100% | 1.208 | 87% | 0.871 | S | S | * | * | trans | -116.7 | 0 | 147.8 | -110 | -80.3 | 0 | 0 | 0 | 107.6 |
Retrieved 348 of 348 residues in 924.9 ms
(Link to these results)