| 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 | 31.4 | Very low | 35.5 | Very low | 253 Ų | 253 | 139.6 Ų | 139.6 | 100% | 1.246 | 81% | 0.807 | S | S | * | * | 0 | 139.4 | 0 | -73.8 | -167.3 | -106.2 | 0 | 0 | 107.9 | |||||
| 2 | A | 39.6 | Very low | 36.1 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | -73.5 | 148.4 | -152.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 3 | V | 27.7 | Very low | 36.6 | Very low | 142 Ų | 142 | 136.5 Ų | 136.5 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -152.7 | 101.2 | 152.6 | -171.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 4 | S | 28.8 | Very low | 37.1 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | 81.9 | 116.8 | 92 | -158.4 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 5 | V | 41.5 | Very low | 37.3 | Very low | 139 Ų | 139 | 136 Ų | 136 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | trans | -94.5 | 105.1 | -177.6 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 6 | C | 33.2 | Very low | 37.4 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -159.7 | 8.9 | 170.1 | -104.6 | 0 | 0 | 0 | 0 | 117 | ||||
| 7 | T | 36.4 | Very low | 37.4 | Very low | 121 Ų | 121 | 133.7 Ų | 133.7 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -107.1 | 6.2 | -174 | 41.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 8 | V | 38.8 | Very low | 37.4 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 71% | 0.709 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -96.8 | -11.2 | -174.4 | -175.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 9 | W | 34.9 | Very low | 37.5 | Very low | 239 Ų | 239 | 134.6 Ų | 134.6 | 91% | 0.905 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -97.7 | -4.2 | -175.6 | -87.3 | 33.1 | 0 | 0 | 0 | 115.9 | ||
| 10 | S | 37.5 | Very low | 37.5 | Very low | 78 Ų | 78 | 136.7 Ų | 136.7 | 55% | 0.545 | 75% | 0.749 | S | S | . | * | S | Bend | trans | -91.4 | -13.5 | 179.3 | -165.8 | 0 | 0 | 0 | 0 | 114.3 | ||
| 11 | N | 40.5 | Very low | 37.5 | Very low | 123 Ų | 123 | 136 Ų | 136 | 66% | 0.658 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -97.8 | -5.1 | -174 | -73 | -37.1 | 0 | 0 | 0 | 114.3 | ||
| 12 | L | 42.3 | Very low | 37.8 | Very low | 142 Ų | 142 | 131.1 Ų | 131.1 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -94.4 | -24.4 | 179.6 | -135.6 | 77.5 | 0 | 0 | 0 | 113.3 | ||
| 13 | T | 43.1 | Very low | 37.6 | Very low | 97 Ų | 97 | 133.8 Ų | 133.8 | 60% | 0.595 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -24 | 179.3 | 24.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 14 | I | 43.6 | Very low | 37.9 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 55% | 0.554 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -26.6 | 179 | -63.5 | 172.8 | 0 | 0 | 0 | 111.4 | ||
| 15 | F | 39.7 | Very low | 38.1 | Very low | 157 Ų | 157 | 135.3 Ų | 135.3 | 69% | 0.689 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -25 | 179.9 | -147.9 | -97 | 0 | 0 | 0 | 113.5 | ||
| 16 | C | 39.6 | Very low | 37.7 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 66% | 0.662 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -17.1 | 177.9 | -74.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 17 | L | 37.3 | Very low | 37.5 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 71% | 0.707 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -18.1 | -179.3 | -121.5 | 134.7 | 0 | 0 | 0 | 113 | ||
| 18 | F | 37.3 | Very low | 37.1 | Very low | 163 Ų | 163 | 135.7 Ų | 135.7 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -84.8 | -12.2 | 177.6 | -97.5 | -84.5 | 0 | 0 | 0 | 114.6 | ||
| 19 | I | 38.9 | Very low | 36.5 | Very low | 122 Ų | 122 | 135.7 Ų | 135.7 | 63% | 0.626 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -92.1 | -11.6 | -179.9 | -65.9 | 176.6 | 0 | 0 | 0 | 112.6 | ||
| 20 | Q | 37.3 | Very low | 36 | Very low | 176 Ų | 176 | 128.5 Ų | 128.5 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -91.9 | -1.4 | 177.5 | -77.3 | -131.1 | -26.7 | 0 | 0 | 115.6 | ||
| 21 | V | 38.7 | Very low | 35.4 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -104.3 | 0.8 | -177.3 | -175.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 22 | I | 37.7 | Very low | 34.7 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -108.2 | 13 | -178.6 | -58.9 | -179.8 | 0 | 0 | 0 | 113.5 | ||
| 23 | L | 35 | Very low | 33.9 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -131.1 | 47.4 | 178.8 | -90.5 | 165.1 | 0 | 0 | 0 | 114.2 | ||
| 24 | V | 33.7 | Very low | 33.1 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | trans | -147.4 | 93.8 | 156.3 | -174 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 25 | T | 33.3 | Very low | 32.3 | Very low | 146 Ų | 146 | 131.5 Ų | 131.5 | 90% | 0.896 | 77% | 0.766 | S | S | * | * | trans | 179.5 | 68.2 | 142.7 | 36.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 26 | S | 32.3 | Very low | 31.5 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -149.7 | 95.3 | 156.5 | 47.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 27 | A | 28.8 | Very low | 30.8 | Very low | 96 Ų | 96 | 129.9 Ų | 129.9 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | trans | 162.9 | 98.4 | 148.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 28 | I | 29.2 | Very low | 30.2 | Very low | 173 Ų | 173 | 126.7 Ų | 126.7 | 89% | 0.887 | 78% | 0.781 | S | S | * | * | trans | -133.6 | 104.7 | 151 | -58.4 | 179.3 | 0 | 0 | 0 | 107.2 | ||||
| 29 | S | 26.4 | Very low | 29.7 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -151.7 | 128.5 | 154.6 | -80.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 30 | A | 23.8 | Very low | 29.1 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | 63.3 | 111.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 31 | T | 25.5 | Very low | 28.5 | Very low | 137 Ų | 137 | 127.1 Ų | 127.1 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | 174.4 | 147 | 92.1 | 26.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 32 | S | 26.2 | Very low | 27.9 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 64% | 0.636 | 79% | 0.791 | S | S | * | * | trans | -40.4 | 143.5 | 165 | 50.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 33 | N | 24.9 | Very low | 27.3 | Very low | 154 Ų | 154 | 125.6 Ų | 125.6 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | 176.6 | 151.6 | 101.5 | -104.1 | -16.4 | 0 | 0 | 0 | 114.4 | |||||
| 34 | S | 27 | Very low | 26.9 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | -54.5 | 150.8 | 173 | 54.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 35 | T | 25.3 | Very low | 26.5 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 83% | 0.828 | 78% | 0.782 | S | S | * | * | 165.4 | 111 | 129.1 | 32.4 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 36 | A | 24.1 | Very low | 26.1 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | 69.9 | 116.7 | 83.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 37 | S | 23.8 | Very low | 25.9 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | trans | 113 | 114 | 135.5 | -163.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 38 | G | 24.9 | Very low | 25.9 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | 87.6 | 146.3 | 134.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 39 | K | 26.3 | Very low | 25.8 | Very low | 180 Ų | 180 | 134 Ų | 134 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | cis | -177.2 | 158.7 | -4.4 | -130.7 | -176.3 | -177.6 | -172.6 | 0 | 105.3 | ||||
| 40 | E | 26.6 | Very low | 25.8 | Very low | 158 Ų | 158 | 135 Ų | 135 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | 71.5 | 147.2 | 152 | -75.3 | 175.7 | -157.4 | 0 | 0 | 117.9 | ||||
| 41 | N | 24.2 | Very low | 25.7 | Very low | 132 Ų | 132 | 136.4 Ų | 136.4 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -176.4 | 134.9 | -21 | -138.1 | -5.8 | 0 | 0 | 0 | 102.2 | ||||
| 42 | S | 26.7 | Very low | 25.7 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | trans | -155.6 | 111 | 157.2 | -82.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 43 | T | 25 | Very low | 25.9 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | -75.3 | 145.4 | 177.1 | 37.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 44 | N | 26.6 | Very low | 25.9 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | 145.7 | 111.7 | 129.6 | -78.4 | -32.9 | 0 | 0 | 0 | 111.2 | |||||
| 45 | R | 26.1 | Very low | 25.8 | Very low | 210 Ų | 210 | 138.6 Ų | 138.6 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | 68.4 | 133.4 | 89.3 | -87.2 | -169.4 | 176.9 | -162.8 | 4.3 | 112 | |||||
| 46 | Y | 25 | Very low | 25.9 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 66% | 0.663 | 78% | 0.775 | S | S | * | * | cis | -160.9 | 148.2 | 9.9 | -121.7 | -92.7 | 0 | 0 | 0 | 103.5 | ||||
| 47 | N | 26.8 | Very low | 25.9 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 83% | 0.834 | 76% | 0.762 | S | S | * | * | -178.7 | 153.9 | 87.6 | -106 | -17.9 | 0 | 0 | 0 | 110.9 | |||||
| 48 | Q | 29.9 | Very low | 26 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | trans | -118.1 | 137.4 | -169.9 | 179.3 | 169.9 | 0.7 | 0 | 0 | 107.4 | ||||
| 49 | D | 26.5 | Very low | 26.1 | Very low | 175 Ų | 175 | 140.6 Ų | 140.6 | 94% | 0.936 | 76% | 0.761 | S | S | * | * | trans | -138.4 | 134.6 | 160.6 | -90.9 | -36.6 | 0 | 0 | 0 | 109.6 | ||||
| 50 | N | 25.7 | Very low | 26.6 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -129 | 137.9 | -171.6 | -161.7 | 46.8 | 0 | 0 | 0 | 106.4 | ||||
| 51 | C | 23.5 | Very low | 26.6 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 169.4 | 126.2 | 133.5 | -91.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 52 | T | 24.5 | Very low | 26.8 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | -37.4 | 161 | 160.2 | 22 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 53 | P | 30.5 | Very low | 26.8 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | -149.8 | 136.6 | 88.9 | 31.4 | -9 | 0 | 0 | 0 | 118.4 | |||||
| 54 | T | 24.9 | Very low | 27.1 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | 69.4 | 129.9 | 124.2 | -30.7 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 55 | E | 25 | Very low | 27.9 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | trans | -51.8 | 168.7 | 173.9 | -133.7 | 178.7 | 169.9 | 0 | 0 | 118 | S57 | E55-S57 WeakPolarHBondContact OE1-CB 2.92Š| ||
| 56 | P | 27.5 | Very low | 27.8 | Very low | 134 Ų | 134 | 138.8 Ų | 138.8 | 87% | 0.87 | 77% | 0.772 | S | S | * | * | -136 | 156.1 | 88 | 38.3 | -25.7 | 0 | 0 | 0 | 115.9 | |||||
| 57 | S | 23.2 | Very low | 27.9 | Very low | 72 Ų | 72 | 134.8 Ų | 134.8 | 50% | 0.503 | 77% | 0.774 | S | S | . | * | trans | -117.2 | 149.7 | -178.8 | 164 | 0 | 0 | 0 | 0 | 110.9 | E55 | E55-S57 WeakPolarHBondContact OE1-CB 2.92Š| ||
| 58 | V | 26 | Very low | 28.5 | Very low | 142 Ų | 142 | 132.7 Ų | 132.7 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -144 | 96.9 | 150.3 | -169.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 59 | T | 27.3 | Very low | 28.4 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | 30.8 | 140.2 | 134.8 | -21.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 60 | P | 37.8 | Very low | 28.7 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | trans | -113.3 | -179.2 | -179 | 41.7 | -28 | 0 | 0 | 0 | 114.8 | ||||
| 61 | T | 26.2 | Very low | 29.1 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -152.8 | 137 | 168.7 | -52.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 62 | E | 28.1 | Very low | 29.3 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | cis | -172.5 | 154.7 | -18.1 | -172.5 | -172.9 | 154 | 0 | 0 | 106.2 | ||||
| 63 | L | 27.1 | Very low | 29.4 | Very low | 149 Ų | 149 | 134.9 Ų | 134.9 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | 125.1 | 96.7 | 146.9 | -79.7 | 124.1 | 0 | 0 | 0 | 116.7 | ||||
| 64 | L | 30.5 | Very low | 29.6 | Very low | 159 Ų | 159 | 135 Ų | 135 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | -93.4 | 175.4 | 138.5 | -96.7 | 124.5 | 0 | 0 | 0 | 107.4 | ||||
| 65 | P | 43.9 | Very low | 29.7 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | cis | -142 | 179.3 | 19.3 | 38.1 | -16.5 | 0 | 0 | 0 | 114.8 | ||||
| 66 | E | 24.6 | Very low | 29.9 | Very low | 191 Ų | 191 | 131 Ų | 131 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | -179.8 | 142.9 | 109.1 | -154 | 158.9 | -162.2 | 0 | 0 | 111.4 | |||||
| 67 | A | 27.4 | Very low | 30 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 70% | 0.702 | 78% | 0.779 | S | S | * | * | trans | -110.6 | 138.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 68 | S | 38.3 | Very low | 30.4 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | 59.9 | 124.9 | 141.3 | 62 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 69 | Q | 28.1 | Very low | 30.8 | Very low | 191 Ų | 191 | 137.2 Ų | 137.2 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | trans | -157.7 | 164.2 | 135.7 | -110.8 | -172.7 | -15.1 | 0 | 0 | 111 | ||||
| 70 | P | 32.8 | Very low | 31.2 | Very low | 118 Ų | 118 | 136 Ų | 136 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | -106.1 | 173.3 | -127.6 | 25.5 | -5.5 | 0 | 0 | 0 | 115.4 | |||||
| 71 | L | 34 | Very low | 31.2 | Very low | 171 Ų | 171 | 135.7 Ų | 135.7 | 90% | 0.895 | 79% | 0.789 | S | S | * | * | trans | -50.6 | 151.8 | -178.8 | -71.3 | 151.5 | 0 | 0 | 0 | 115.4 | ||||
| 72 | P | 27.2 | Very low | 31.7 | Very low | 122 Ų | 122 | 137.1 Ų | 137.1 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -116.3 | 152.5 | 135.4 | 35.2 | -25.9 | 0 | 0 | 0 | 112.8 | ||||
| 73 | D | 26.6 | Very low | 32.6 | Very low | 155 Ų | 155 | 130.9 Ų | 130.9 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | -69 | 147.2 | -172.1 | -95 | -57.1 | 0 | 0 | 0 | 116.9 | ||||
| 74 | S | 35.5 | Very low | 33.3 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | trans | 52.9 | 113.3 | 140 | -68.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 75 | G | 27 | Very low | 33.9 | Very low | 70 Ų | 70 | 120.4 Ų | 120.4 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | -176.8 | 44.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 76 | T | 29.8 | Very low | 34.4 | Very low | 127 Ų | 127 | 126 Ų | 126 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | trans | 57.8 | 102.2 | 141.6 | -20.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 77 | L | 29.1 | Very low | 36.3 | Very low | 146 Ų | 146 | 120.5 Ų | 120.5 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | trans | 75 | 127.4 | 138.6 | -63.6 | 175.2 | 0 | 0 | 0 | 119.8 | ||||
| 78 | L | 31.1 | Very low | 38.5 | Very low | 160 Ų | 160 | 117.1 Ų | 117.1 | 84% | 0.838 | 67% | 0.671 | S | S | * | * | cis | -151.2 | 125.8 | 6.4 | -90.9 | 159.2 | 0 | 0 | 0 | 109.1 | ||||
| 79 | L | 34.9 | Very low | 40.4 | Very low | 172 Ų | 172 | 115.7 Ų | 115.7 | 90% | 0.901 | 66% | 0.659 | S | S | * | * | trans | -105.7 | 114.8 | 161.2 | -98 | 155.3 | 0 | 0 | 0 | 107.5 | ||||
| 80 | S | 35.7 | Very low | 42.9 | Very low | 91 Ų | 91 | 107.4 Ų | 107.4 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | trans | 157 | 98.8 | 130.2 | 74.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 81 | V | 37.4 | Very low | 45.1 | Very low | 109 Ų | 109 | 103.6 Ų | 103.6 | 66% | 0.661 | 60% | 0.595 | S | S | * | * | trans | -115.7 | 82.1 | 142.4 | -177.4 | 0 | 0 | 0 | 0 | 104.7 | G83 A84 | V81-G83 PolarHBondContact O-N 3.28Å; V81-A84 HydrophobicContact CG1-CB 3.68Å | ||
| 82 | I | 37.3 | Very low | 47.1 | Very low | 165 Ų | 165 | 103.5 Ų | 103.5 | 85% | 0.846 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 107.8 | 170.6 | -64.4 | 173.7 | 0 | 0 | 0 | 105.4 | ||
| 83 | G | 46.4 | Very low | 49.4 | Very low | 27 Ų | 27 | 101.7 Ų | 101.7 | 28% | 0.278 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 108.1 | 22.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | V81 D85 L87 | V81-G83 PolarHBondContact O-N 3.28Å; G83-D85 WeakPolarHBondContact CA-OD1 3.3Å; G83-D85 PolarHBondContact N-OD1 3.28Å; G83-L87 VanDerWaalsContact O-CD1 3.27Å; G83-L87 WeakPolarHBondContact O-CD1 3.45Å |
| 84 | A | 41.4 | Very low | 51.7 | Low | 21 Ų | 21 | 100.5 Ų | 100.5 | 17% | 0.174 | 57% | 0.572 | C | S | . | * | S | Bend | trans | -103.4 | -17.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V81 L87 | V81-A84 HydrophobicContact CG1-CB 3.68Å; A84-L87 PolarHBondContact O-N 3.18Å |
| 85 | D | 43.8 | Very low | 53.5 | Low | 67 Ų | 67 | 98.5 Ų | 98.5 | 36% | 0.358 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.9 | -26.3 | 179.8 | 58.9 | -43.8 | 0 | 0 | 0 | 113.6 | G83 L87 | G83-D85 WeakPolarHBondContact CA-OD1 3.3Å; G83-D85 PolarHBondContact N-OD1 3.28Å; D85-L87 VanDerWaalsContact C-N 3.33Å |
| 86 | R | 53.3 | Low | 56.1 | Low | 228 Ų | 228 | 99.1 Ų | 99.1 | 86% | 0.86 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -1.1 | 173.6 | -74.7 | -173.7 | 174.3 | -173.6 | -2.1 | 114.6 | ||
| 87 | L | 65.6 | Low | 58.7 | Low | 75 Ų | 75 | 94.5 Ų | 94.5 | 39% | 0.393 | 53% | 0.525 | S | S | . | . | trans | -117.3 | 6.2 | -170.9 | -80.6 | 145.2 | 0 | 0 | 0 | 113 | G83 A84 D85 P89 V123 | G83-L87 VanDerWaalsContact O-CD1 3.27Å; G83-L87 WeakPolarHBondContact O-CD1 3.45Å; A84-L87 PolarHBondContact O-N 3.18Å; D85-L87 VanDerWaalsContact C-N 3.33Å; L87-P89 WeakPolarHBondContact O-CD 3.42Å; L87-V123 HydrophobicContact CB-CG1 4.12Å; L87-V123 WeakPolarHBondContact O-CG1 3.44Å | ||
| 88 | C | 74.4 | Confident | 61.4 | Low | 14 Ų | 14 | 88.8 Ų | 88.8 | 10% | 0.095 | 50% | 0.495 | C | S | . | . | trans | -71.9 | 109.5 | 175.7 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | C90 D91 C101 C103 | C88-C90 PolarHBondContact O-N 2.81Å; C88-D91 HydrophobicContact CB-CB 4.15Å; C88-D91 PolarHBondContact O-N 2.88Å; C88-C101 PolarHBondContact SG-SG 3.28Å; C88-C103 VanDerWaalsContact CA-SG 3.53Å; C88-C103 HydrophobicContact CB-CB 3.87Å; C88-C103 WeakPolarHBondContact CB-SG 3.42Å; C88-C103 WeakPolarHBondContact SG-CB 3.39Å; C88-C103 CovalentContact SG-SG 2.04Å; C88-C103 PolarHBondContact SG-SG 2.81Å | ||
| 89 | P | 76.1 | Confident | 63.8 | Low | 83 Ų | 83 | 87.1 Ų | 87.1 | 54% | 0.539 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -7.1 | -171.5 | -16 | 32.1 | 0 | 0 | 0 | 114.2 | L87 F120 | L87-P89 WeakPolarHBondContact O-CD 3.42Å; P89-F120 HydrophobicContact CB-CD2 4.38Å; P89-F120 HydrophobicContact CB-CE2 3.94Å; P89-F120 HydrophobicContact CB-CZ 4.13Å |
| 90 | C | 81.3 | Confident | 66.2 | Low | 16 Ų | 16 | 80.2 Ų | 80.2 | 11% | 0.108 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | 3.8 | -178 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | C88 E92 C101 C103 F120 | C88-C90 PolarHBondContact O-N 2.81Å; C90-E92 VanDerWaalsContact C-N 3.31Å; C90-E92 PolarHBondContact O-N 3.32Å; C90-C101 HydrophobicContact CB-CB 3.81Å; C90-C101 WeakPolarHBondContact CB-SG 3.1Å; C90-C101 PolarHBondContact O-SG 2.83Å; C90-C101 VanDerWaalsContact O-SG 3.33Å; C90-C101 WeakPolarHBondContact SG-CA 3.34Å; C90-C101 WeakPolarHBondContact SG-CB 3.25Å; C90-C101 CovalentContact SG-SG 2.04Å; C90-C101 PolarHBondContact SG-SG 3.3Å; C90-C103 VanDerWaalsContact SG-SG 3.61Å; C90-F120 HydrophobicContact CB-CD2 3.95Å; C90-F120 HydrophobicContact CB-CE2 4.1Å |
| 91 | D | 79.6 | Confident | 68.6 | Low | 39 Ų | 39 | 76 Ų | 76 | 21% | 0.209 | 42% | 0.419 | C | S | . | . | trans | -81.9 | 80.1 | 169.9 | 178.9 | 1.7 | 0 | 0 | 0 | 107.3 | C88 D98 | C88-D91 HydrophobicContact CB-CB 4.15Å; C88-D91 PolarHBondContact O-N 2.88Å; D91-D98 WeakPolarHBondContact CA-OD2 3.38Å | ||
| 92 | E | 75.6 | Confident | 70.9 | Confident | 169 Ų | 169 | 70.9 Ų | 70.9 | 79% | 0.79 | 39% | 0.388 | S | S | * | . | trans | -82.2 | -30.5 | 178.6 | -71 | -166.3 | 169.7 | 0 | 0 | 111 | C90 D98 | C90-E92 VanDerWaalsContact C-N 3.31Å; C90-E92 PolarHBondContact O-N 3.32Å; E92-D98 PolarHBondContact N-OD2 2.87Å | ||
| 93 | N | 75.8 | Confident | 73.2 | Confident | 84 Ų | 84 | 63.8 Ų | 63.8 | 45% | 0.449 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -111.3 | 100.9 | -173.5 | -76.4 | 79.4 | 0 | 0 | 0 | 111.6 | A95 V96 D98 | N93-A95 PolarHBondContact O-N 3Å; N93-V96 HydrophobicContact CB-CB 4.1Å; N93-V96 PolarHBondContact O-N 3.24Å; N93-V96 VanDerWaalsContact O-N 3.13Å; N93-D98 PolarHBondContact N-OD2 3.09Å; N93-D98 PolarHBondContact OD1-OD1 3.19Å |
| 94 | T | 74.3 | Confident | 74.9 | Confident | 129 Ų | 129 | 63 Ų | 63 | 79% | 0.791 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 125.8 | 176.8 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | V96 | T94-V96 VanDerWaalsContact C-N 3.33Š|
| 95 | A | 73.1 | Confident | 76.6 | Confident | 76 Ų | 76 | 69.2 Ų | 69.2 | 63% | 0.628 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 21.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | N93 | N93-A95 PolarHBondContact O-N 3Š|
| 96 | V | 81.3 | Confident | 78.5 | Confident | 83 Ų | 83 | 70 Ų | 70 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -135.4 | 138.6 | 174.6 | -178.6 | 0 | 0 | 0 | 0 | 109.1 | N93 T94 D98 | N93-V96 HydrophobicContact CB-CB 4.1Å; N93-V96 PolarHBondContact O-N 3.24Å; N93-V96 VanDerWaalsContact O-N 3.13Å; T94-V96 VanDerWaalsContact C-N 3.33Å; V96-D98 PolarHBondContact O-N 3.33Å |
| 97 | C | 84.6 | Confident | 79.9 | Confident | 31 Ų | 31 | 60.2 Ų | 60.2 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 119.1 | 174.6 | 174.6 | 0 | 0 | 0 | 0 | 112 | D104 C107 D111 | C97-D104 VanDerWaalsContact CA-OD2 3.29Å; C97-D104 WeakPolarHBondContact CA-OD2 3.27Å; C97-C107 WeakPolarHBondContact CA-SG 3.06Å; C97-C107 HydrophobicContact CB-CB 3.91Å; C97-C107 WeakPolarHBondContact CB-SG 3.44Å; C97-C107 WeakPolarHBondContact SG-CA 3.26Å; C97-C107 WeakPolarHBondContact SG-CB 3.39Å; C97-C107 CovalentContact SG-SG 2.03Å; C97-C107 PolarHBondContact SG-SG 3.32Å; C97-D111 HydrophobicContact CB-CB 4.44Å |
| 98 | D | 85.8 | Confident | 80.7 | Confident | 25 Ų | 25 | 60.5 Ų | 60.5 | 13% | 0.134 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 125.2 | 172.3 | -76.8 | -46.6 | 0 | 0 | 0 | 111.6 | D91 E92 N93 V96 N100 C101 D104 | D91-D98 WeakPolarHBondContact CA-OD2 3.38Å; E92-D98 PolarHBondContact N-OD2 2.87Å; N93-D98 PolarHBondContact N-OD2 3.09Å; N93-D98 PolarHBondContact OD1-OD1 3.19Å; V96-D98 PolarHBondContact O-N 3.33Å; D98-N100 PolarHBondContact O-N 3.09Å; D98-C101 HydrophobicContact CB-CB 3.75Å; D98-C101 VanDerWaalsContact O-CB 3.27Å; D98-C101 WeakPolarHBondContact O-CB 3.36Å; D98-C101 PolarHBondContact O-N 2.84Å; D98-D104 PolarHBondContact N-OD2 2.96Å |
| 99 | M | 82.9 | Confident | 81 | Confident | 125 Ų | 125 | 66.9 Ų | 66.9 | 62% | 0.616 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 131.7 | -174.7 | -167.6 | -179.3 | -169.9 | 0 | 0 | 111.5 | C101 L114 F115 | M99-C101 PolarHBondContact O-N 2.76Å; M99-L114 WeakPolarHBondContact CE-O 3.11Å; M99-F115 HydrophobicContact CG-CD1 4.4Å; M99-F115 HydrophobicContact CG-CE1 4.49Å |
| 100 | N | 84.8 | Confident | 81.2 | Confident | 28 Ų | 28 | 69 Ų | 69 | 15% | 0.15 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 8.4 | -175.9 | -56.8 | -52.2 | 0 | 0 | 0 | 114.5 | D98 C102 F115 T116 S117 C118 T119 | D98-N100 PolarHBondContact O-N 3.09Å; N100-C102 PolarHBondContact O-N 3.5Å; N100-F115 VanDerWaalsContact N-CE1 3.3Å; N100-F115 WeakPolarHBondContact OD1-CA 3.38Å; N100-T116 PolarHBondContact OD1-N 3.36Å; N100-T116 PolarHBondContact OD1-OG1 3.28Å; N100-S117 WeakPolarHBondContact CA-O 3.38Å; N100-S117 WeakPolarHBondContact CB-O 3.29Å; N100-S117 PolarHBondContact OD1-N 3.13Å; N100-S117 PolarHBondContact OD1-O 2.88Å; N100-S117 VanDerWaalsContact OD1-O 3.12Å; N100-C118 WeakPolarHBondContact O-CA 3.39Å; N100-T119 PolarHBondContact O-N 2.87Å; N100-T119 PolarHBondContact O-OG1 3.48Å |
| 101 | C | 86.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.007 | 37% | 0.372 | C | S | . | . | trans | -88.2 | 87.5 | 175.4 | -170.5 | 0 | 0 | 0 | 0 | 111.4 | C88 C90 D98 M99 C103 D104 | C88-C101 PolarHBondContact SG-SG 3.28Å; C90-C101 HydrophobicContact CB-CB 3.81Å; C90-C101 WeakPolarHBondContact CB-SG 3.1Å; C90-C101 PolarHBondContact O-SG 2.83Å; C90-C101 VanDerWaalsContact O-SG 3.33Å; C90-C101 WeakPolarHBondContact SG-CA 3.34Å; C90-C101 WeakPolarHBondContact SG-CB 3.25Å; C90-C101 CovalentContact SG-SG 2.04Å; C90-C101 PolarHBondContact SG-SG 3.3Å; D98-C101 HydrophobicContact CB-CB 3.75Å; D98-C101 VanDerWaalsContact O-CB 3.27Å; D98-C101 WeakPolarHBondContact O-CB 3.36Å; D98-C101 PolarHBondContact O-N 2.84Å; M99-C101 PolarHBondContact O-N 2.76Å; C101-C103 PolarHBondContact O-N 2.8Å; C101-C103 VanDerWaalsContact O-N 3.13Å; C101-D104 HydrophobicContact CB-CB 3.99Å; C101-D104 VanDerWaalsContact O-CB 3.28Å; C101-D104 WeakPolarHBondContact O-CB 3.38Å; C101-D104 PolarHBondContact O-N 2.78Å | ||
| 102 | C | 85.5 | Confident | 81.3 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 2% | 0.02 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -10 | -174.7 | -68.4 | 0 | 0 | 0 | 0 | 115.8 | N100 C118 Y138 L150 | N100-C102 PolarHBondContact O-N 3.5Å; C102-C118 HydrophobicContact CB-CB 3.7Å; C102-C118 WeakPolarHBondContact CB-SG 3.32Å; C102-C118 WeakPolarHBondContact SG-CA 3.11Å; C102-C118 WeakPolarHBondContact SG-CB 3.14Å; C102-C118 CovalentContact SG-SG 2.03Å; C102-C118 PolarHBondContact SG-SG 3.48Å; C102-Y138 HydrophobicContact CB-CG 4.24Å; C102-Y138 WeakPolarHBondContact O-CD1 3.03Å; C102-Y138 WeakPolarHBondContact O-CE1 3.34Å; C102-L150 HydrophobicContact CB-CD1 3.6Å; C102-L150 WeakPolarHBondContact O-CD2 3.38Å |
| 103 | C | 84.4 | Confident | 81.5 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 11% | 0.108 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 0.5 | 173 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | C88 C90 C101 V123 Y138 | C88-C103 VanDerWaalsContact CA-SG 3.53Å; C88-C103 HydrophobicContact CB-CB 3.87Å; C88-C103 WeakPolarHBondContact CB-SG 3.42Å; C88-C103 WeakPolarHBondContact SG-CB 3.39Å; C88-C103 CovalentContact SG-SG 2.04Å; C88-C103 PolarHBondContact SG-SG 2.81Å; C90-C103 VanDerWaalsContact SG-SG 3.61Å; C101-C103 PolarHBondContact O-N 2.8Å; C101-C103 VanDerWaalsContact O-N 3.13Å; C103-V123 HydrophobicContact CB-CG2 3.71Å; C103-Y138 HydrophobicContact CB-CD2 4.21Å; C103-Y138 HydrophobicContact CB-CE1 4.35Å; C103-Y138 HydrophobicContact CB-CE2 3.59Å |
| 104 | D | 83.8 | Confident | 81.8 | Confident | 9 Ų | 9 | 64.7 Ų | 64.7 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | trans | -76.4 | 131.1 | 176.7 | -173.3 | -6.7 | 0 | 0 | 0 | 110.4 | C97 D98 C101 E106 | C97-D104 VanDerWaalsContact CA-OD2 3.29Å; C97-D104 WeakPolarHBondContact CA-OD2 3.27Å; D98-D104 PolarHBondContact N-OD2 2.96Å; C101-D104 HydrophobicContact CB-CB 3.99Å; C101-D104 VanDerWaalsContact O-CB 3.28Å; C101-D104 WeakPolarHBondContact O-CB 3.38Å; C101-D104 PolarHBondContact O-N 2.78Å; D104-E106 PolarHBondContact OD1-N 3.12Å | ||
| 105 | R | 75.8 | Confident | 82.3 | Confident | 153 Ų | 153 | 59 Ų | 59 | 58% | 0.577 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -85.1 | -17.9 | -176.8 | 54.6 | -175 | 154.6 | 137.8 | -0 | 113.1 | C107 | R105-C107 VanDerWaalsContact C-N 3.29Š|
| 106 | E | 84.1 | Confident | 82.7 | Confident | 83 Ų | 83 | 60.7 Ų | 60.7 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -84.7 | -10.2 | 179.4 | -55.3 | -62.4 | 162.7 | 0 | 0 | 111.6 | D104 N108 | D104-E106 PolarHBondContact OD1-N 3.12Å; E106-N108 PolarHBondContact O-N 3.13Å |
| 107 | C | 83.1 | Confident | 82.8 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 15% | 0.149 | 31% | 0.314 | C | S | . | . | trans | -79.2 | 115.2 | 174.6 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | C97 R105 V112 F115 | C97-C107 WeakPolarHBondContact CA-SG 3.06Å; C97-C107 HydrophobicContact CB-CB 3.91Å; C97-C107 WeakPolarHBondContact CB-SG 3.44Å; C97-C107 WeakPolarHBondContact SG-CA 3.26Å; C97-C107 WeakPolarHBondContact SG-CB 3.39Å; C97-C107 CovalentContact SG-SG 2.03Å; C97-C107 PolarHBondContact SG-SG 3.32Å; R105-C107 VanDerWaalsContact C-N 3.29Å; C107-V112 HydrophobicContact CB-CG2 4.3Å; C107-F115 HydrophobicContact CB-CZ 4.24Å | ||
| 108 | N | 82.2 | Confident | 82.7 | Confident | 81 Ų | 81 | 59.3 Ų | 59.3 | 43% | 0.433 | 31% | 0.311 | S | S | . | . | trans | -90.7 | 179.4 | 174.2 | 68.6 | 51.5 | 0 | 0 | 0 | 111.4 | E106 D110 D111 V112 | E106-N108 PolarHBondContact O-N 3.13Å; N108-D110 VanDerWaalsContact C-N 3.28Å; N108-D110 PolarHBondContact O-N 2.04Å; N108-D110 WeakPolarHBondContact OD1-CA 3.28Å; N108-D110 WeakPolarHBondContact OD1-CB 3.12Å; N108-D110 PolarHBondContact OD1-N 3.36Å; N108-D111 PolarHBondContact N-OD2 3.33Å; N108-D111 VanDerWaalsContact N-OD2 3.09Å; N108-D111 PolarHBondContact ND2-OD2 3.47Å; N108-D111 PolarHBondContact O-N 3.31Å; N108-D111 PolarHBondContact OD1-N 2.03Å; N108-D111 VanDerWaalsContact OD1-N 3.09Å; N108-D111 PolarHBondContact OD1-OD2 2.78Å; N108-V112 VanDerWaalsContact O-CG2 3.3Å; N108-V112 WeakPolarHBondContact O-CG2 3.01Å; N108-V112 PolarHBondContact O-N 3.04Å | ||
| 109 | K | 80.3 | Confident | 82.6 | Confident | 148 Ų | 148 | 62 Ų | 62 | 64% | 0.643 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62 | -33 | -177.7 | -66.2 | -164.5 | 177.1 | -150.5 | 0 | 113.7 | A113 E149 | K109-A113 PolarHBondContact O-N 3.02Å; K109-A113 VanDerWaalsContact O-N 3.12Å; K109-E149 IonicContact NZ-OE1 2.81Å; K109-E149 PolarHBondContact NZ-OE1 3.05Å |
| 110 | D | 80.1 | Confident | 82.4 | Confident | 129 Ų | 129 | 60.1 Ų | 60.1 | 69% | 0.69 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -72.8 | -35.1 | 179.6 | -60.8 | -35.2 | 0 | 0 | 0 | 110.8 | N108 | N108-D110 VanDerWaalsContact C-N 3.28Å; N108-D110 PolarHBondContact O-N 2.04Å; N108-D110 WeakPolarHBondContact OD1-CA 3.28Å; N108-D110 WeakPolarHBondContact OD1-CB 3.12Å; N108-D110 PolarHBondContact OD1-N 3.36Å |
| 111 | D | 82.3 | Confident | 82.1 | Confident | 51 Ų | 51 | 63.2 Ų | 63.2 | 27% | 0.273 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.1 | -43.7 | 175 | -55 | -44 | 0 | 0 | 0 | 111.4 | C97 N108 A113 L114 F115 | C97-D111 HydrophobicContact CB-CB 4.44Å; N108-D111 PolarHBondContact N-OD2 3.33Å; N108-D111 VanDerWaalsContact N-OD2 3.09Å; N108-D111 PolarHBondContact ND2-OD2 3.47Å; N108-D111 PolarHBondContact O-N 3.31Å; N108-D111 PolarHBondContact OD1-N 2.03Å; N108-D111 VanDerWaalsContact OD1-N 3.09Å; N108-D111 PolarHBondContact OD1-OD2 2.78Å; D111-A113 PolarHBondContact O-N 3.18Å; D111-L114 WeakPolarHBondContact O-CB 3.07Å; D111-L114 PolarHBondContact O-N 2.04Å; D111-F115 VanDerWaalsContact O-CD1 3.26Å; D111-F115 WeakPolarHBondContact O-CD1 3.1Å; D111-F115 WeakPolarHBondContact O-CE1 3.36Å |
| 112 | V | 81.6 | Confident | 81.8 | Confident | 6 Ų | 6 | 64.8 Ų | 64.8 | 4% | 0.036 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.4 | -31.9 | 177.6 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | C107 N108 L114 F115 L140 L150 | C107-V112 HydrophobicContact CB-CG2 4.3Å; N108-V112 VanDerWaalsContact O-CG2 3.3Å; N108-V112 WeakPolarHBondContact O-CG2 3.01Å; N108-V112 PolarHBondContact O-N 3.04Å; V112-L114 PolarHBondContact O-N 3.43Å; V112-F115 HydrophobicContact CB-CD2 4.49Å; V112-F115 HydrophobicContact CG1-CD2 4.38Å; V112-F115 HydrophobicContact CG2-CD2 4.39Å; V112-F115 HydrophobicContact CG2-CE2 4.06Å; V112-F115 HydrophobicContact CG2-CZ 4.42Å; V112-F115 VanDerWaalsContact O-CB 3.27Å; V112-F115 WeakPolarHBondContact O-CB 3.27Å; V112-F115 PolarHBondContact O-N 2.8Å; V112-L140 HydrophobicContact CG1-CD2 3.62Å; V112-L150 HydrophobicContact CG1-CB 3.94Å; V112-L150 HydrophobicContact CG2-CB 4.47Å |
| 113 | A | 80.3 | Confident | 81.4 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 29% | 0.289 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K109 D111 Y147 | K109-A113 PolarHBondContact O-N 3.02Å; K109-A113 VanDerWaalsContact O-N 3.12Å; D111-A113 PolarHBondContact O-N 3.18Å; A113-Y147 HydrophobicContact CB-CD1 4.29Å |
| 114 | L | 80.7 | Confident | 81.1 | Confident | 124 Ų | 124 | 67.8 Ų | 67.8 | 65% | 0.649 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -5 | 175.4 | -59.2 | 174.7 | 0 | 0 | 0 | 113.1 | M99 D111 V112 | M99-L114 WeakPolarHBondContact CE-O 3.11Å; D111-L114 WeakPolarHBondContact O-CB 3.07Å; D111-L114 PolarHBondContact O-N 2.04Å; V112-L114 PolarHBondContact O-N 3.43Å |
| 115 | F | 85.1 | Confident | 80.3 | Confident | 9 Ų | 9 | 70.2 Ų | 70.2 | 4% | 0.039 | 38% | 0.377 | C | S | . | . | trans | -70.2 | 157.5 | -179.8 | -69.3 | 4.9 | 0 | 0 | 0 | 110.6 | M99 N100 C107 D111 V112 L140 L148 | M99-F115 HydrophobicContact CG-CD1 4.4Å; M99-F115 HydrophobicContact CG-CE1 4.49Å; N100-F115 VanDerWaalsContact N-CE1 3.3Å; N100-F115 WeakPolarHBondContact OD1-CA 3.38Å; C107-F115 HydrophobicContact CB-CZ 4.24Å; D111-F115 VanDerWaalsContact O-CD1 3.26Å; D111-F115 WeakPolarHBondContact O-CD1 3.1Å; D111-F115 WeakPolarHBondContact O-CE1 3.36Å; V112-F115 HydrophobicContact CB-CD2 4.49Å; V112-F115 HydrophobicContact CG1-CD2 4.38Å; V112-F115 HydrophobicContact CG2-CD2 4.39Å; V112-F115 HydrophobicContact CG2-CE2 4.06Å; V112-F115 HydrophobicContact CG2-CZ 4.42Å; V112-F115 VanDerWaalsContact O-CB 3.27Å; V112-F115 WeakPolarHBondContact O-CB 3.27Å; V112-F115 PolarHBondContact O-N 2.8Å; F115-L140 HydrophobicContact CB-CD1 4.13Å; F115-L148 WeakPolarHBondContact O-CD1 3.27Å | ||
| 116 | T | 81.8 | Confident | 79.9 | Confident | 112 Ų | 112 | 64.3 Ų | 64.3 | 69% | 0.687 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -115.6 | -26.3 | 174.1 | 50.2 | 0 | 0 | 0 | 0 | 111.4 | N100 | N100-T116 PolarHBondContact OD1-N 3.36Å; N100-T116 PolarHBondContact OD1-OG1 3.28Å |
| 117 | S | 83.4 | Confident | 79.1 | Confident | 65 Ų | 65 | 62.1 Ų | 62.1 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -163.3 | 172.5 | 176.9 | 58.3 | 0 | 0 | 0 | 0 | 110 | N100 | N100-S117 WeakPolarHBondContact CA-O 3.38Å; N100-S117 WeakPolarHBondContact CB-O 3.29Å; N100-S117 PolarHBondContact OD1-N 3.13Å; N100-S117 PolarHBondContact OD1-O 2.88Å; N100-S117 VanDerWaalsContact OD1-O 3.12Å |
| 118 | C | 83 | Confident | 78.5 | Confident | 20 Ų | 20 | 68 Ų | 68 | 14% | 0.135 | 38% | 0.381 | C | S | . | . | trans | -96 | 124.2 | 167.4 | -65.3 | 0 | 0 | 0 | 0 | 109.8 | N100 C102 F120 T121 | N100-C118 WeakPolarHBondContact O-CA 3.39Å; C102-C118 HydrophobicContact CB-CB 3.7Å; C102-C118 WeakPolarHBondContact CB-SG 3.32Å; C102-C118 WeakPolarHBondContact SG-CA 3.11Å; C102-C118 WeakPolarHBondContact SG-CB 3.14Å; C102-C118 CovalentContact SG-SG 2.03Å; C102-C118 PolarHBondContact SG-SG 3.48Å; C118-F120 VanDerWaalsContact C-N 3.27Å; C118-F120 PolarHBondContact O-N 3.19Å; C118-T121 HydrophobicContact CB-CG2 4.19Å | ||
| 119 | T | 83.1 | Confident | 78 | Confident | 83 Ų | 83 | 69.6 Ų | 69.6 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -59.6 | -40.1 | 174.8 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | N100 | N100-T119 PolarHBondContact O-N 2.87Å; N100-T119 PolarHBondContact O-OG1 3.48Å |
| 120 | F | 79.6 | Confident | 77.8 | Confident | 85 Ų | 85 | 64 Ų | 64 | 37% | 0.373 | 36% | 0.363 | S | S | . | . | trans | -125.7 | 126.1 | 170.6 | -66.9 | -82.2 | 0 | 0 | 0 | 109.9 | P89 C90 C118 | P89-F120 HydrophobicContact CB-CD2 4.38Å; P89-F120 HydrophobicContact CB-CE2 3.94Å; P89-F120 HydrophobicContact CB-CZ 4.13Å; C90-F120 HydrophobicContact CB-CD2 3.95Å; C90-F120 HydrophobicContact CB-CE2 4.1Å; C118-F120 VanDerWaalsContact C-N 3.27Å; C118-F120 PolarHBondContact O-N 3.19Å | ||
| 121 | T | 77.7 | Confident | 77.9 | Confident | 92 Ų | 92 | 58.5 Ų | 58.5 | 56% | 0.564 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -91.9 | -6 | 177.3 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | C118 S137 Y138 | C118-T121 HydrophobicContact CB-CG2 4.19Å; T121-S137 CarbonylContact O-C 3.54Å; T121-S137 VanDerWaalsContact O-CA 3.27Å; T121-S137 WeakPolarHBondContact O-CA 3.17Å; T121-Y138 PolarHBondContact O-N 3.38Å |
| 122 | A | 79.8 | Confident | 77.8 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 133.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I135 A136 | A122-I135 HydrophobicContact CB-CD1 3.69Å; A122-I135 HydrophobicContact CB-CG1 3.88Å; A122-A136 CarbonylContact C-O 3.59Å; A122-A136 VanDerWaalsContact CA-O 3.22Å; A122-A136 WeakPolarHBondContact CA-O 3.41Å |
| 123 | V | 78.3 | Confident | 77.8 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.03 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 130.5 | 176.5 | 179.6 | 0 | 0 | 0 | 0 | 109.2 | L87 C103 I135 A136 Y138 | L87-V123 HydrophobicContact CB-CG1 4.12Å; L87-V123 WeakPolarHBondContact O-CG1 3.44Å; C103-V123 HydrophobicContact CB-CG2 3.71Å; V123-I135 CarbonylContact O-C 3.6Å; V123-I135 WeakPolarHBondContact O-CA 3.36Å; V123-A136 PolarHBondContact N-O 3.2Å; V123-A136 PolarHBondContact O-N 2.96Å; V123-Y138 HydrophobicContact CB-CE2 4.18Å; V123-Y138 HydrophobicContact CG2-CD2 4.45Å; V123-Y138 HydrophobicContact CG2-CE2 3.83Å |
| 124 | R | 77.1 | Confident | 77.8 | Confident | 77 Ų | 77 | 59.7 Ų | 59.7 | 29% | 0.291 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 140.5 | -179.4 | -69.4 | 173 | 173 | 92.2 | 4.4 | 110.2 | G126 Q133 I135 E157 | R124-G126 PolarHBondContact O-N 3.15Å; R124-Q133 VanDerWaalsContact CD-NE2 3.26Å; R124-I135 HydrophobicContact CG-CB 4.42Å; R124-I135 HydrophobicContact CG-CD1 3.94Å; R124-I135 HydrophobicContact CG-CG1 3.95Å; R124-E157 IonicContact CZ-OE1 3.73Å; R124-E157 IonicContact CZ-OE2 3.4Å; R124-E157 IonicContact NE-OE1 2.77Å; R124-E157 IonicContact NE-OE2 3.62Å; R124-E157 PolarHBondContact NE-OE2 2.81Å; R124-E157 IonicContact NH2-OE1 3.86Å; R124-E157 PolarHBondContact NH2-OE1 2.87Å; R124-E157 IonicContact NH2-OE2 3.54Å; R124-E157 PolarHBondContact NH2-OE2 2.79Å |
| 125 | S | 66.5 | Low | 77.8 | Confident | 60 Ų | 60 | 54.7 Ų | 54.7 | 42% | 0.42 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -73.2 | -7.8 | 176.4 | -169.6 | 0 | 0 | 0 | 0 | 113.8 | D134 | S125-D134 PolarHBondContact N-O 2.77Š|
| 126 | G | 67.9 | Low | 77.7 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -159.8 | -172.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.2 | R124 Q133 | R124-G126 PolarHBondContact O-N 3.15Å; G126-Q133 PolarHBondContact O-OE1 2.72Å |
| 127 | S | 66.8 | Low | 77.6 | Confident | 37 Ų | 37 | 51.2 Ų | 51.2 | 26% | 0.259 | 29% | 0.294 | S | S | . | . | trans | -66.5 | 141.3 | 177.9 | 175 | 0 | 0 | 0 | 0 | 111.1 | Q129 L130 Q133 | S127-Q129 PolarHBondContact O-N 3.35Å; S127-Q129 PolarHBondContact OG-N 3.3Å; S127-Q129 PolarHBondContact OG-OE1 3.36Å; S127-L130 PolarHBondContact O-N 3.12Å; S127-Q133 PolarHBondContact O-OE1 2.99Å; S127-Q133 VanDerWaalsContact O-OE1 3.1Å | ||
| 128 | K | 70.3 | Confident | 77.6 | Confident | 145 Ų | 145 | 49.8 Ų | 49.8 | 63% | 0.63 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -16.1 | 171.5 | -67.9 | -176.9 | -179.6 | 178.1 | 0 | 113.4 | L130 N159 | K128-L130 VanDerWaalsContact C-N 3.31Å; K128-N159 PolarHBondContact O-ND2 3.43Å |
| 129 | Q | 72.4 | Confident | 77.6 | Confident | 114 Ų | 114 | 51.5 Ų | 51.5 | 53% | 0.533 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -14 | 179.1 | -66.3 | 161.4 | -16.7 | 0 | 0 | 113.2 | S127 C164 V165 | S127-Q129 PolarHBondContact O-N 3.35Å; S127-Q129 PolarHBondContact OG-N 3.3Å; S127-Q129 PolarHBondContact OG-OE1 3.36Å; Q129-C164 CarbonylContact O-C 3.56Å; Q129-C164 VanDerWaalsContact O-CA 3.23Å; Q129-C164 WeakPolarHBondContact O-CA 3.27Å; Q129-V165 HydrophobicContact CB-CG2 4.38Å; Q129-V165 PolarHBondContact O-N 3.18Å |
| 130 | L | 76.8 | Confident | 77.6 | Confident | 31 Ų | 31 | 49.4 Ų | 49.4 | 16% | 0.162 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -69.9 | 142.8 | -179.9 | -66.3 | 171.4 | 0 | 0 | 0 | 111.8 | S127 K128 S132 Q133 N159 V165 Q168 | S127-L130 PolarHBondContact O-N 3.12Å; K128-L130 VanDerWaalsContact C-N 3.31Å; L130-S132 VanDerWaalsContact C-N 3.26Å; L130-S132 PolarHBondContact O-N 3.48Å; L130-Q133 HydrophobicContact CD1-CB 4.5Å; L130-N159 WeakPolarHBondContact O-CB 3.28Å; L130-V165 CarbonylContact C-O 3.59Å; L130-V165 WeakPolarHBondContact CA-O 3.42Å; L130-V165 HydrophobicContact CD2-CB 4.16Å; L130-V165 HydrophobicContact CD2-CG1 4.12Å; L130-Q168 HydrophobicContact CD2-CB 4.26Å |
| 131 | C | 81.4 | Confident | 77.6 | Confident | 14 Ų | 14 | 47.7 Ų | 47.7 | 10% | 0.095 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -66.3 | -30.3 | 176.4 | -65.5 | 0 | 0 | 0 | 0 | 112.8 | I158 N159 C164 V165 W166 | C131-I158 WeakPolarHBondContact O-CA 3.34Å; C131-N159 PolarHBondContact O-N 3.1Å; C131-C164 WeakPolarHBondContact CA-SG 3.48Å; C131-C164 HydrophobicContact CB-CB 3.88Å; C131-C164 WeakPolarHBondContact CB-SG 3.19Å; C131-C164 WeakPolarHBondContact SG-CB 3.34Å; C131-C164 PolarHBondContact SG-O 3.44Å; C131-C164 CovalentContact SG-SG 2.04Å; C131-C164 PolarHBondContact SG-SG 3.11Å; C131-V165 PolarHBondContact N-O 3.28Å; C131-V165 VanDerWaalsContact SG-C 3.55Å; C131-W166 HydrophobicContact CB-CE3 3.82Å; C131-W166 HydrophobicContact CB-CZ3 4.39Å |
| 132 | S | 81 | Confident | 77.7 | Confident | 38 Ų | 38 | 48 Ų | 48 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 129.1 | 178.5 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | L130 R156 E157 | L130-S132 VanDerWaalsContact C-N 3.26Å; L130-S132 PolarHBondContact O-N 3.48Å; S132-R156 PolarHBondContact OG-NE 2.85Å; S132-R156 PolarHBondContact OG-NH2 2.82Å; S132-E157 WeakPolarHBondContact CA-O 3.06Å |
| 133 | Q | 79.9 | Confident | 77.5 | Confident | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.056 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 153.4 | 179.4 | 65.8 | -173.1 | -14.3 | 0 | 0 | 111.1 | R124 G126 S127 L130 E157 | R124-Q133 VanDerWaalsContact CD-NE2 3.26Å; G126-Q133 PolarHBondContact O-OE1 2.72Å; S127-Q133 PolarHBondContact O-OE1 2.99Å; S127-Q133 VanDerWaalsContact O-OE1 3.1Å; L130-Q133 HydrophobicContact CD1-CB 4.5Å; Q133-E157 HydrophobicContact CG-CB 4.29Å; Q133-E157 PolarHBondContact N-O 2.78Å; Q133-E157 PolarHBondContact NE2-OE2 3.23Å; Q133-E157 PolarHBondContact O-N 2.87Å |
| 134 | D | 80.9 | Confident | 77.2 | Confident | 66 Ų | 66 | 55.6 Ų | 55.6 | 35% | 0.353 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 134.4 | 174.5 | -58.1 | -38.6 | 0 | 0 | 0 | 109.7 | S125 V154 R156 | S125-D134 PolarHBondContact N-O 2.77Å; D134-V154 HydrophobicContact CB-CG1 4.18Å; D134-R156 IonicContact OD1-CZ 3.72Å; D134-R156 IonicContact OD1-NH1 2.78Å; D134-R156 PolarHBondContact OD1-NH1 2.94Å; D134-R156 IonicContact OD2-NH1 3.28Å; D134-R156 PolarHBondContact OD2-NH1 2.84Å |
| 135 | I | 82 | Confident | 76.9 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.1 | 179.2 | -167.3 | 169.4 | 0 | 0 | 0 | 109.2 | A122 V123 R124 V154 Q155 E157 | A122-I135 HydrophobicContact CB-CD1 3.69Å; A122-I135 HydrophobicContact CB-CG1 3.88Å; V123-I135 CarbonylContact O-C 3.6Å; V123-I135 WeakPolarHBondContact O-CA 3.36Å; R124-I135 HydrophobicContact CG-CB 4.42Å; R124-I135 HydrophobicContact CG-CD1 3.94Å; R124-I135 HydrophobicContact CG-CG1 3.95Å; I135-V154 CarbonylContact O-C 3.51Å; I135-V154 WeakPolarHBondContact O-CA 3.14Å; I135-Q155 HydrophobicContact CG2-CB 4.07Å; I135-Q155 WeakPolarHBondContact CG2-O 3.33Å; I135-Q155 PolarHBondContact N-O 3.05Å; I135-Q155 PolarHBondContact O-N 2.81Å; I135-E157 HydrophobicContact CG2-CB 4.16Å |
| 136 | A | 81.6 | Confident | 76.9 | Confident | 12 Ų | 12 | 61 Ų | 61 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 111.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | A122 V123 Y138 V154 | A122-A136 CarbonylContact C-O 3.59Å; A122-A136 VanDerWaalsContact CA-O 3.22Å; A122-A136 WeakPolarHBondContact CA-O 3.41Å; V123-A136 PolarHBondContact N-O 3.2Å; V123-A136 PolarHBondContact O-N 2.96Å; A136-Y138 HydrophobicContact CB-CE2 3.85Å; A136-Y138 WeakPolarHBondContact O-CE2 3.41Å; A136-V154 HydrophobicContact CB-CG2 4.29Å |
| 137 | S | 80.4 | Confident | 77.1 | Confident | 35 Ų | 35 | 66.7 Ų | 66.7 | 25% | 0.245 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 141.2 | 175.6 | 58.7 | 0 | 0 | 0 | 0 | 110.6 | T121 S152 S153 | T121-S137 CarbonylContact O-C 3.54Å; T121-S137 VanDerWaalsContact O-CA 3.27Å; T121-S137 WeakPolarHBondContact O-CA 3.17Å; S137-S152 CarbonylContact O-C 3.45Å; S137-S152 VanDerWaalsContact O-CA 3.25Å; S137-S152 WeakPolarHBondContact O-CA 3.39Å; S137-S153 PolarHBondContact N-O 3.44Å; S137-S153 PolarHBondContact O-N 2.79Å; S137-S153 PolarHBondContact OG-O 2.77Å; S137-S153 PolarHBondContact OG-OG 2.87Å |
| 138 | Y | 83.3 | Confident | 77.5 | Confident | 36 Ų | 36 | 67 Ų | 67 | 14% | 0.141 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 130.6 | -177.8 | -58.7 | -85.8 | 0 | 0 | 0 | 109.5 | C102 C103 T121 V123 A136 L150 Q151 | C102-Y138 HydrophobicContact CB-CG 4.24Å; C102-Y138 WeakPolarHBondContact O-CD1 3.03Å; C102-Y138 WeakPolarHBondContact O-CE1 3.34Å; C103-Y138 HydrophobicContact CB-CD2 4.21Å; C103-Y138 HydrophobicContact CB-CE1 4.35Å; C103-Y138 HydrophobicContact CB-CE2 3.59Å; T121-Y138 PolarHBondContact O-N 3.38Å; V123-Y138 HydrophobicContact CB-CE2 4.18Å; V123-Y138 HydrophobicContact CG2-CD2 4.45Å; V123-Y138 HydrophobicContact CG2-CE2 3.83Å; A136-Y138 HydrophobicContact CB-CE2 3.85Å; A136-Y138 WeakPolarHBondContact O-CE2 3.41Å; Y138-L150 HydrophobicContact CD1-CD1 4.29Å; Y138-Q151 CarbonylContact C-O 3.54Å; Y138-Q151 WeakPolarHBondContact CA-O 3.4Å |
| 139 | S | 82 | Confident | 78 | Confident | 56 Ų | 56 | 63.9 Ų | 63.9 | 39% | 0.392 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 140.6 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 110.3 | Q151 | S139-Q151 PolarHBondContact N-O 3.13Å; S139-Q151 PolarHBondContact O-N 3.14Å |
| 140 | L | 84.2 | Confident | 78.4 | Confident | 39 Ų | 39 | 61.2 Ų | 61.2 | 20% | 0.204 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 127.3 | 172.7 | -68.6 | 161.5 | 0 | 0 | 0 | 109.3 | V112 F115 L148 E149 L150 | V112-L140 HydrophobicContact CG1-CD2 3.62Å; F115-L140 HydrophobicContact CB-CD1 4.13Å; L140-L148 HydrophobicContact CB-CD2 4.21Å; L140-L148 HydrophobicContact CD2-CB 4.39Å; L140-E149 WeakPolarHBondContact CA-O 3.22Å; L140-L150 HydrophobicContact CD2-CB 4.33Å; L140-L150 HydrophobicContact CD2-CD1 4.24Å |
| 141 | T | 80 | Confident | 78.6 | Confident | 48 Ų | 48 | 64.8 Ų | 64.8 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 139.6 | 174.5 | 52.9 | 0 | 0 | 0 | 0 | 109.4 | E149 Q151 | T141-E149 PolarHBondContact N-O 2.88Å; T141-E149 PolarHBondContact O-N 3.21Å; T141-E149 PolarHBondContact OG1-O 3.31Å; T141-Q151 HydrophobicContact CG2-CG 4.24Å |
| 142 | T | 79.8 | Confident | 78.6 | Confident | 100 Ų | 100 | 68.1 Ų | 68.1 | 61% | 0.613 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 128.1 | 173.8 | 51.1 | 0 | 0 | 0 | 0 | 110.2 | Y147 L148 | T142-Y147 CarbonylContact C-O 3.55Å; T142-Y147 WeakPolarHBondContact CA-O 3.37Å; T142-L148 HydrophobicContact CG2-CD2 3.66Å |
| 143 | D | 75 | Confident | 78.4 | Confident | 55 Ų | 55 | 68.9 Ų | 68.9 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | trans | -71.9 | 177.3 | 173.5 | 80.5 | -1.2 | 0 | 0 | 0 | 111.9 | Y145 G146 Y147 | D143-Y145 PolarHBondContact O-N 3.06Å; D143-Y145 VanDerWaalsContact O-N 3.14Å; D143-Y145 VanDerWaalsContact OD1-C 3.27Å; D143-Y145 WeakPolarHBondContact OD1-CA 3.43Å; D143-Y145 PolarHBondContact OD1-N 3.03Å; D143-G146 PolarHBondContact O-N 2.99Å; D143-G146 VanDerWaalsContact O-N 3.13Å; D143-G146 PolarHBondContact OD1-N 3.14Å; D143-Y147 PolarHBondContact N-O 3.19Å; D143-Y147 PolarHBondContact OD1-N 2.71Å | ||
| 144 | V | 71.6 | Confident | 78.4 | Confident | 143 Ų | 143 | 72.8 Ų | 72.8 | 87% | 0.867 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -18.4 | -178.4 | -175.4 | 0 | 0 | 0 | 0 | 112.5 | ||
| 145 | Y | 70.5 | Confident | 78.2 | Confident | 194 Ų | 194 | 75.7 Ų | 75.7 | 76% | 0.761 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 1.1 | -179.2 | -57.4 | -71.4 | 0 | 0 | 0 | 113 | D143 | D143-Y145 PolarHBondContact O-N 3.06Å; D143-Y145 VanDerWaalsContact O-N 3.14Å; D143-Y145 VanDerWaalsContact OD1-C 3.27Å; D143-Y145 WeakPolarHBondContact OD1-CA 3.43Å; D143-Y145 PolarHBondContact OD1-N 3.03Å |
| 146 | G | 68 | Low | 78.1 | Confident | 57 Ų | 57 | 82.1 Ų | 82.1 | 59% | 0.588 | 44% | 0.438 | S | S | * | . | S | Bend | trans | 88 | 7.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D143 | D143-G146 PolarHBondContact O-N 2.99Å; D143-G146 VanDerWaalsContact O-N 3.13Å; D143-G146 PolarHBondContact OD1-N 3.14Å |
| 147 | Y | 72.1 | Confident | 78 | Confident | 148 Ų | 148 | 84.7 Ų | 84.7 | 58% | 0.58 | 45% | 0.448 | S | S | * | . | trans | -85.8 | 147.7 | 173.7 | -62.1 | -77.9 | 0 | 0 | 0 | 110.9 | A113 T142 D143 | A113-Y147 HydrophobicContact CB-CD1 4.29Å; T142-Y147 CarbonylContact C-O 3.55Å; T142-Y147 WeakPolarHBondContact CA-O 3.37Å; D143-Y147 PolarHBondContact N-O 3.19Å; D143-Y147 PolarHBondContact OD1-N 2.71Å | ||
| 148 | L | 75.4 | Confident | 77.9 | Confident | 43 Ų | 43 | 87.8 Ų | 87.8 | 23% | 0.225 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 128 | 176.6 | -68.7 | 164.5 | 0 | 0 | 0 | 110.3 | F115 L140 T142 | F115-L148 WeakPolarHBondContact O-CD1 3.27Å; L140-L148 HydrophobicContact CB-CD2 4.21Å; L140-L148 HydrophobicContact CD2-CB 4.39Å; T142-L148 HydrophobicContact CG2-CD2 3.66Å |
| 149 | E | 80.3 | Confident | 77.7 | Confident | 81 Ų | 81 | 88.4 Ų | 88.4 | 38% | 0.379 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.7 | 173.6 | -169.5 | 167.5 | -148.7 | 0 | 0 | 109.9 | K109 L140 T141 | K109-E149 IonicContact NZ-OE1 2.81Å; K109-E149 PolarHBondContact NZ-OE1 3.05Å; L140-E149 WeakPolarHBondContact CA-O 3.22Å; T141-E149 PolarHBondContact N-O 2.88Å; T141-E149 PolarHBondContact O-N 3.21Å; T141-E149 PolarHBondContact OG1-O 3.31Å |
| 150 | L | 81.3 | Confident | 77.4 | Confident | 57 Ų | 57 | 95.6 Ų | 95.6 | 30% | 0.298 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 121.4 | 178.6 | -179.8 | 69.7 | 0 | 0 | 0 | 110.6 | C102 V112 Y138 L140 | C102-L150 HydrophobicContact CB-CD1 3.6Å; C102-L150 WeakPolarHBondContact O-CD2 3.38Å; V112-L150 HydrophobicContact CG1-CB 3.94Å; V112-L150 HydrophobicContact CG2-CB 4.47Å; Y138-L150 HydrophobicContact CD1-CD1 4.29Å; L140-L150 HydrophobicContact CD2-CB 4.33Å; L140-L150 HydrophobicContact CD2-CD1 4.24Å |
| 151 | Q | 80.8 | Confident | 76.9 | Confident | 106 Ų | 106 | 97.8 Ų | 97.8 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 130.4 | 166.2 | -68.3 | -166.6 | -25.4 | 0 | 0 | 109.9 | Y138 S139 T141 | Y138-Q151 CarbonylContact C-O 3.54Å; Y138-Q151 WeakPolarHBondContact CA-O 3.4Å; S139-Q151 PolarHBondContact N-O 3.13Å; S139-Q151 PolarHBondContact O-N 3.14Å; T141-Q151 HydrophobicContact CG2-CG 4.24Å |
| 152 | S | 79.8 | Confident | 76.7 | Confident | 85 Ų | 85 | 102.7 Ų | 102.7 | 59% | 0.594 | 52% | 0.521 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139.4 | 172.6 | 63 | 0 | 0 | 0 | 0 | 110.8 | S137 | S137-S152 CarbonylContact O-C 3.45Å; S137-S152 VanDerWaalsContact O-CA 3.25Å; S137-S152 WeakPolarHBondContact O-CA 3.39Å |
| 153 | S | 78.8 | Confident | 76.5 | Confident | 53 Ų | 53 | 106.3 Ų | 106.3 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 138.2 | 174.4 | 86.1 | 0 | 0 | 0 | 0 | 111 | S137 | S137-S153 PolarHBondContact N-O 3.44Å; S137-S153 PolarHBondContact O-N 2.79Å; S137-S153 PolarHBondContact OG-O 2.77Å; S137-S153 PolarHBondContact OG-OG 2.87Å |
| 154 | V | 78.3 | Confident | 76.7 | Confident | 95 Ų | 95 | 105.2 Ų | 105.2 | 58% | 0.576 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 124 | 177.8 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | D134 I135 A136 | D134-V154 HydrophobicContact CB-CG1 4.18Å; I135-V154 CarbonylContact O-C 3.51Å; I135-V154 WeakPolarHBondContact O-CA 3.14Å; A136-V154 HydrophobicContact CB-CG2 4.29Å |
| 155 | Q | 76.9 | Confident | 76.8 | Confident | 127 Ų | 127 | 100.9 Ų | 100.9 | 59% | 0.593 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 161.8 | 175.5 | -63.7 | -172.4 | -3.7 | 0 | 0 | 110.1 | I135 | I135-Q155 HydrophobicContact CG2-CB 4.07Å; I135-Q155 WeakPolarHBondContact CG2-O 3.33Å; I135-Q155 PolarHBondContact N-O 3.05Å; I135-Q155 PolarHBondContact O-N 2.81Å |
| 156 | R | 79.8 | Confident | 76.9 | Confident | 154 Ų | 154 | 101.9 Ų | 101.9 | 58% | 0.581 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 114.7 | 175.9 | -162.8 | 153.6 | -179.4 | 105.4 | -1.9 | 109.8 | S132 D134 | S132-R156 PolarHBondContact OG-NE 2.85Å; S132-R156 PolarHBondContact OG-NH2 2.82Å; D134-R156 IonicContact OD1-CZ 3.72Å; D134-R156 IonicContact OD1-NH1 2.78Å; D134-R156 PolarHBondContact OD1-NH1 2.94Å; D134-R156 IonicContact OD2-NH1 3.28Å; D134-R156 PolarHBondContact OD2-NH1 2.84Å |
| 157 | E | 79.2 | Confident | 76.8 | Confident | 66 Ų | 66 | 102.7 Ų | 102.7 | 31% | 0.308 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 132 | 179.8 | -168.3 | -179.3 | -140.3 | 0 | 0 | 109.2 | R124 S132 Q133 I135 | R124-E157 IonicContact CZ-OE1 3.73Å; R124-E157 IonicContact CZ-OE2 3.4Å; R124-E157 IonicContact NE-OE1 2.77Å; R124-E157 IonicContact NE-OE2 3.62Å; R124-E157 PolarHBondContact NE-OE2 2.81Å; R124-E157 IonicContact NH2-OE1 3.86Å; R124-E157 PolarHBondContact NH2-OE1 2.87Å; R124-E157 IonicContact NH2-OE2 3.54Å; R124-E157 PolarHBondContact NH2-OE2 2.79Å; S132-E157 WeakPolarHBondContact CA-O 3.06Å; Q133-E157 HydrophobicContact CG-CB 4.29Å; Q133-E157 PolarHBondContact N-O 2.78Å; Q133-E157 PolarHBondContact NE2-OE2 3.23Å; Q133-E157 PolarHBondContact O-N 2.87Å; I135-E157 HydrophobicContact CG2-CB 4.16Å |
| 158 | I | 80.1 | Confident | 76.3 | Confident | 100 Ų | 100 | 99.8 Ų | 99.8 | 51% | 0.513 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 126.5 | 177.3 | -57.6 | 176 | 0 | 0 | 0 | 108.5 | C131 Y160 | C131-I158 WeakPolarHBondContact O-CA 3.34Å; I158-Y160 HydrophobicContact CG2-CE1 4.35Å |
| 159 | N | 77.3 | Confident | 75.1 | Confident | 49 Ų | 49 | 105 Ų | 105 | 26% | 0.262 | 52% | 0.518 | S | S | . | . | trans | -90.9 | 117.9 | 174 | -173.5 | -15.1 | 0 | 0 | 0 | 110 | K128 L130 C131 N161 C164 | K128-N159 PolarHBondContact O-ND2 3.43Å; L130-N159 WeakPolarHBondContact O-CB 3.28Å; C131-N159 PolarHBondContact O-N 3.1Å; N159-N161 VanDerWaalsContact C-N 3.27Å; N159-N161 PolarHBondContact O-N 2.93Å; N159-N161 WeakPolarHBondContact OD1-CB 2.95Å; N159-N161 PolarHBondContact OD1-N 2.89Å; N159-C164 HydrophobicContact CB-CB 4.27Å | ||
| 160 | Y | 76.6 | Confident | 73.7 | Confident | 207 Ų | 207 | 110.4 Ų | 110.4 | 81% | 0.812 | 54% | 0.535 | S | S | * | . | trans | -82.8 | 4.9 | -179.5 | -59.6 | -78.7 | 0 | 0 | 0 | 114.3 | I158 I162 | I158-Y160 HydrophobicContact CG2-CE1 4.35Å; Y160-I162 PolarHBondContact O-N 3.41Å | ||
| 161 | N | 72.9 | Confident | 72.2 | Confident | 85 Ų | 85 | 117.6 Ų | 117.6 | 46% | 0.455 | 56% | 0.564 | S | S | . | * | trans | -65.7 | 127.5 | 174 | -171.8 | -25.9 | 0 | 0 | 0 | 109.9 | N159 F163 C164 | N159-N161 VanDerWaalsContact C-N 3.27Å; N159-N161 PolarHBondContact O-N 2.93Å; N159-N161 WeakPolarHBondContact OD1-CB 2.95Å; N159-N161 PolarHBondContact OD1-N 2.89Å; N161-F163 PolarHBondContact O-N 2.75Å; N161-F163 VanDerWaalsContact O-N 3.1Å; N161-F163 PolarHBondContact OD1-N 2.04Å; N161-C164 VanDerWaalsContact O-CB 3.24Å; N161-C164 WeakPolarHBondContact O-CB 3.03Å; N161-C164 PolarHBondContact O-N 3.14Å; N161-C164 PolarHBondContact O-SG 2.99Å | ||
| 162 | I | 76.9 | Confident | 70.7 | Confident | 152 Ų | 152 | 118.4 Ų | 118.4 | 78% | 0.779 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -19.8 | 179.9 | -158.6 | 164 | 0 | 0 | 0 | 113.3 | Y160 | Y160-I162 PolarHBondContact O-N 3.41Š|
| 163 | F | 76.1 | Confident | 69.3 | Low | 175 Ų | 175 | 116.1 Ų | 116.1 | 77% | 0.768 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 18.1 | 175.5 | -58.2 | -67.3 | 0 | 0 | 0 | 113.1 | N161 | N161-F163 PolarHBondContact O-N 2.75Å; N161-F163 VanDerWaalsContact O-N 3.1Å; N161-F163 PolarHBondContact OD1-N 2.04Å |
| 164 | C | 79.3 | Confident | 67.9 | Low | 32 Ų | 32 | 120.3 Ų | 120.3 | 22% | 0.216 | 58% | 0.579 | C | S | . | * | trans | -62.5 | 145.5 | 174.4 | 68.4 | 0 | 0 | 0 | 0 | 110.8 | Q129 C131 N159 N161 W166 | Q129-C164 CarbonylContact O-C 3.56Å; Q129-C164 VanDerWaalsContact O-CA 3.23Å; Q129-C164 WeakPolarHBondContact O-CA 3.27Å; C131-C164 WeakPolarHBondContact CA-SG 3.48Å; C131-C164 HydrophobicContact CB-CB 3.88Å; C131-C164 WeakPolarHBondContact CB-SG 3.19Å; C131-C164 WeakPolarHBondContact SG-CB 3.34Å; C131-C164 PolarHBondContact SG-O 3.44Å; C131-C164 CovalentContact SG-SG 2.04Å; C131-C164 PolarHBondContact SG-SG 3.11Å; N159-C164 HydrophobicContact CB-CB 4.27Å; N161-C164 VanDerWaalsContact O-CB 3.24Å; N161-C164 WeakPolarHBondContact O-CB 3.03Å; N161-C164 PolarHBondContact O-N 3.14Å; N161-C164 PolarHBondContact O-SG 2.99Å; C164-W166 PolarHBondContact O-N 2.03Å | ||
| 165 | V | 73.3 | Confident | 66.5 | Low | 53 Ų | 53 | 119.8 Ų | 119.8 | 32% | 0.321 | 58% | 0.58 | S | S | . | * | B | Isolated β-bridge | trans | -82.9 | 112.1 | 179.6 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | Q129 L130 C131 Q168 | Q129-V165 HydrophobicContact CB-CG2 4.38Å; Q129-V165 PolarHBondContact O-N 3.18Å; L130-V165 CarbonylContact C-O 3.59Å; L130-V165 WeakPolarHBondContact CA-O 3.42Å; L130-V165 HydrophobicContact CD2-CB 4.16Å; L130-V165 HydrophobicContact CD2-CG1 4.12Å; C131-V165 PolarHBondContact N-O 3.28Å; C131-V165 VanDerWaalsContact SG-C 3.55Å; V165-Q168 HydrophobicContact CG1-CB 4.22Å |
| 166 | W | 71.1 | Confident | 65.2 | Low | 215 Ų | 215 | 121.7 Ų | 121.7 | 81% | 0.814 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -69 | -38.6 | -178.8 | -178.8 | -104.2 | 0 | 0 | 0 | 112.8 | C131 C164 | C131-W166 HydrophobicContact CB-CE3 3.82Å; C131-W166 HydrophobicContact CB-CZ3 4.39Å; C164-W166 PolarHBondContact O-N 2.03Å |
| 167 | S | 65.9 | Low | 63.9 | Low | 73 Ų | 73 | 119.8 Ų | 119.8 | 51% | 0.51 | 60% | 0.595 | S | S | . | * | trans | -151.3 | 131 | 176.6 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 168 | Q | 61.8 | Low | 62.5 | Low | 87 Ų | 87 | 122 Ų | 122 | 41% | 0.407 | 62% | 0.619 | S | S | . | * | trans | -103.4 | 109.2 | 176.3 | -172.5 | 165.3 | -2.4 | 0 | 0 | 109.6 | L130 V165 R170 | L130-Q168 HydrophobicContact CD2-CB 4.26Å; V165-Q168 HydrophobicContact CG1-CB 4.22Å; Q168-R170 PolarHBondContact NE2-O 3.24Å | ||
| 169 | N | 50.5 | Low | 61.6 | Low | 153 Ų | 153 | 122 Ų | 122 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | trans | -93.3 | 8 | -176.8 | -76.8 | -10.2 | 0 | 0 | 0 | 114.2 | ||||
| 170 | R | 50.8 | Low | 61.2 | Low | 194 Ų | 194 | 123 Ų | 123 | 73% | 0.732 | 64% | 0.636 | S | S | * | * | trans | -138.2 | 115.5 | 177.1 | -79.3 | -168.7 | 175.7 | -178.2 | -0.8 | 110.7 | Q168 D172 | Q168-R170 PolarHBondContact NE2-O 3.24Å; R170-D172 PolarHBondContact O-N 3.02Å | ||
| 171 | F | 50.8 | Low | 60.9 | Low | 208 Ų | 208 | 120 Ų | 120 | 91% | 0.912 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -18.8 | 170.4 | -88 | -90.7 | 0 | 0 | 0 | 112.5 | G173 | F171-G173 PolarHBondContact O-N 3.1Š|
| 172 | D | 49.5 | Very low | 61 | Low | 123 Ų | 123 | 120.1 Ų | 120.1 | 66% | 0.658 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | 5.8 | -176.2 | -50.8 | -31.7 | 0 | 0 | 0 | 114.4 | R170 L174 | R170-D172 PolarHBondContact O-N 3.02Å; D172-L174 VanDerWaalsContact C-N 3.26Å; D172-L174 PolarHBondContact O-N 2.91Å; D172-L174 VanDerWaalsContact O-N 3.15Å |
| 173 | G | 50.3 | Low | 61.1 | Low | 37 Ų | 37 | 116.4 Ų | 116.4 | 38% | 0.381 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.9 | 3.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 117 | F171 | F171-G173 PolarHBondContact O-N 3.1Š|
| 174 | L | 48.8 | Very low | 61 | Low | 142 Ų | 142 | 112.7 Ų | 112.7 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | 4.5 | 179.3 | -70.5 | 173.4 | 0 | 0 | 0 | 114.1 | D172 | D172-L174 VanDerWaalsContact C-N 3.26Å; D172-L174 PolarHBondContact O-N 2.91Å; D172-L174 VanDerWaalsContact O-N 3.15Å |
| 175 | S | 49.2 | Very low | 61.2 | Low | 84 Ų | 84 | 119 Ų | 119 | 59% | 0.587 | 66% | 0.656 | S | S | * | * | trans | -132.5 | 81.9 | 173.1 | 53.3 | 0 | 0 | 0 | 0 | 108.6 | P177 | S175-P177 WeakPolarHBondContact O-CD 2.99Š| ||
| 176 | H | 49 | Very low | 61.5 | Low | 167 Ų | 167 | 118.6 Ų | 118.6 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 122 | 157.9 | -69.9 | -66.1 | 0 | 0 | 0 | 106.8 | S178 | H176-S178 PolarHBondContact O-N 3.36Š|
| 177 | P | 52.4 | Low | 62 | Low | 113 Ų | 113 | 113.4 Ų | 113.4 | 73% | 0.734 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 135.8 | 165.8 | 24.3 | -30.7 | 0 | 0 | 0 | 107.5 | S175 P179 | S175-P177 WeakPolarHBondContact O-CD 2.99Å; P177-P179 VanDerWaalsContact O-N 3.15Å |
| 178 | S | 50.3 | Low | 62.6 | Low | 114 Ų | 114 | 115.6 Ų | 115.6 | 80% | 0.797 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 125 | 176.6 | -49.1 | 0 | 0 | 0 | 0 | 108.6 | H176 S180 | H176-S178 PolarHBondContact O-N 3.36Å; S178-S180 PolarHBondContact O-N 3.26Å |
| 179 | P | 61 | Low | 63.4 | Low | 99 Ų | 99 | 115.3 Ų | 115.3 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 138.6 | 178.6 | 20.4 | -29.1 | 0 | 0 | 0 | 109 | P177 L181 | P177-P179 VanDerWaalsContact O-N 3.15Å; P179-L181 PolarHBondContact O-N 2.83Å |
| 180 | S | 69.5 | Low | 64.7 | Low | 70 Ų | 70 | 108.9 Ų | 108.9 | 49% | 0.49 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 128 | 177.8 | 39.1 | 0 | 0 | 0 | 0 | 109.9 | S178 L190 | S178-S180 PolarHBondContact O-N 3.26Å; S180-L190 WeakPolarHBondContact O-CD1 3.47Å; S180-L190 WeakPolarHBondContact OG-CD2 2.99Å |
| 181 | L | 70.6 | Confident | 65.9 | Low | 144 Ų | 144 | 105.1 Ų | 105.1 | 75% | 0.754 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 132.7 | -178 | -74.9 | 162.9 | 0 | 0 | 0 | 110.5 | P179 T183 N186 | P179-L181 PolarHBondContact O-N 2.83Å; L181-T183 PolarHBondContact O-N 3.12Å; L181-N186 PolarHBondContact O-ND2 3.26Å |
| 182 | P | 74 | Confident | 66.9 | Low | 87 Ų | 87 | 99.2 Ų | 99.2 | 57% | 0.565 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 127 | 175.9 | 21.7 | -26.1 | 0 | 0 | 0 | 110.4 | N186 F187 L190 | P182-N186 WeakPolarHBondContact CA-OD1 3.41Å; P182-F187 HydrophobicContact CB-CD2 4.18Å; P182-L190 HydrophobicContact CB-CD1 4.35Å |
| 183 | T | 79.4 | Confident | 67.9 | Low | 74 Ų | 74 | 99.5 Ų | 99.5 | 45% | 0.454 | 59% | 0.586 | S | S | . | * | trans | -123.1 | 164 | 172.5 | 58.2 | 0 | 0 | 0 | 0 | 107.5 | L181 D185 N186 F187 | L181-T183 PolarHBondContact O-N 3.12Å; T183-D185 PolarHBondContact O-N 3.25Å; T183-N186 PolarHBondContact N-OD1 3.3Å; T183-N186 PolarHBondContact O-N 3.23Å; T183-N186 PolarHBondContact O-OD1 2.84Å; T183-N186 VanDerWaalsContact O-OD1 3.14Å; T183-N186 PolarHBondContact OG1-ND2 3.36Å; T183-N186 PolarHBondContact OG1-OD1 3Å; T183-N186 VanDerWaalsContact OG1-OD1 3.06Å; T183-F187 WeakPolarHBondContact O-CB 3.4Å; T183-F187 PolarHBondContact O-N 3.06Å | ||
| 184 | A | 73.8 | Confident | 68.6 | Low | 97 Ų | 97 | 104.8 Ų | 104.8 | 80% | 0.802 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.6 | -30.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 185 | D | 83.6 | Confident | 69.3 | Low | 164 Ų | 164 | 101 Ų | 101 | 88% | 0.877 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -20.6 | -174.2 | -55.1 | -38.9 | 0 | 0 | 0 | 113.8 | T183 | T183-D185 PolarHBondContact O-N 3.25Š|
| 186 | N | 80.2 | Confident | 69.5 | Low | 46 Ų | 46 | 101.6 Ų | 101.6 | 25% | 0.246 | 58% | 0.582 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -113.8 | -2.8 | -177.7 | 73.6 | 9.8 | 0 | 0 | 0 | 113.5 | L181 P182 T183 S189 L190 | L181-N186 PolarHBondContact O-ND2 3.26Å; P182-N186 WeakPolarHBondContact CA-OD1 3.41Å; T183-N186 PolarHBondContact N-OD1 3.3Å; T183-N186 PolarHBondContact O-N 3.23Å; T183-N186 PolarHBondContact O-OD1 2.84Å; T183-N186 VanDerWaalsContact O-OD1 3.14Å; T183-N186 PolarHBondContact OG1-ND2 3.36Å; T183-N186 PolarHBondContact OG1-OD1 3Å; T183-N186 VanDerWaalsContact OG1-OD1 3.06Å; N186-S189 PolarHBondContact O-N 2.9Å; N186-L190 HydrophobicContact CB-CD1 4.33Å; N186-L190 WeakPolarHBondContact O-CB 3.45Å; N186-L190 VanDerWaalsContact O-CG 3.28Å; N186-L190 WeakPolarHBondContact O-CG 3.46Å; N186-L190 PolarHBondContact O-N 2.87Å; N186-L190 WeakPolarHBondContact OD1-CD1 3.32Å |
| 187 | F | 80.1 | Confident | 69.5 | Low | 106 Ų | 106 | 103.5 Ų | 103.5 | 47% | 0.465 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -58.5 | -51.5 | -176.1 | -178 | -94.5 | 0 | 0 | 0 | 112.4 | P182 T183 S189 L190 F191 | P182-F187 HydrophobicContact CB-CD2 4.18Å; T183-F187 WeakPolarHBondContact O-CB 3.4Å; T183-F187 PolarHBondContact O-N 3.06Å; F187-S189 VanDerWaalsContact C-N 3.28Å; F187-S189 PolarHBondContact O-N 3.36Å; F187-L190 PolarHBondContact O-N 3.19Å; F187-F191 HydrophobicContact CE1-CB 4.34Å; F187-F191 HydrophobicContact CE1-CD2 4.41Å; F187-F191 HydrophobicContact CE1-CG 4.44Å; F187-F191 HydrophobicContact CZ-CD2 4.28Å; F187-F191 WeakPolarHBondContact O-CB 3.44Å; F187-F191 PolarHBondContact O-N 3.35Å |
| 188 | D | 78.6 | Confident | 69.2 | Low | 119 Ų | 119 | 103.5 Ų | 103.5 | 64% | 0.636 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.7 | -35.6 | -176.3 | -67.6 | -30.2 | 0 | 0 | 0 | 112.4 | S192 | D188-S192 WeakPolarHBondContact O-CB 3.42Å; D188-S192 PolarHBondContact O-N 3.07Å; D188-S192 PolarHBondContact O-OG 3.4Å |
| 189 | S | 79.1 | Confident | 68.6 | Low | 80 Ų | 80 | 107.9 Ų | 107.9 | 56% | 0.559 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.8 | -45.8 | 175.7 | -177.7 | 0 | 0 | 0 | 0 | 111.4 | N186 F187 S192 Q193 | N186-S189 PolarHBondContact O-N 2.9Å; F187-S189 VanDerWaalsContact C-N 3.28Å; F187-S189 PolarHBondContact O-N 3.36Å; S189-S192 PolarHBondContact O-N 2.84Å; S189-Q193 WeakPolarHBondContact O-CB 3.16Å; S189-Q193 PolarHBondContact O-N 2.92Å; S189-Q193 VanDerWaalsContact O-N 3.11Å |
| 190 | L | 78.1 | Confident | 67.3 | Low | 18 Ų | 18 | 109.1 Ų | 109.1 | 9% | 0.094 | 59% | 0.588 | C | S | . | * | H | α-helix | trans | -66.4 | -43.7 | 178.5 | -68.9 | 171.9 | 0 | 0 | 0 | 110.7 | S180 P182 N186 F187 S192 Q193 F194 | S180-L190 WeakPolarHBondContact O-CD1 3.47Å; S180-L190 WeakPolarHBondContact OG-CD2 2.99Å; P182-L190 HydrophobicContact CB-CD1 4.35Å; N186-L190 HydrophobicContact CB-CD1 4.33Å; N186-L190 WeakPolarHBondContact O-CB 3.45Å; N186-L190 VanDerWaalsContact O-CG 3.28Å; N186-L190 WeakPolarHBondContact O-CG 3.46Å; N186-L190 PolarHBondContact O-N 2.87Å; N186-L190 WeakPolarHBondContact OD1-CD1 3.32Å; F187-L190 PolarHBondContact O-N 3.19Å; L190-S192 PolarHBondContact O-N 3.1Å; L190-Q193 PolarHBondContact O-N 3.3Å; L190-Q193 VanDerWaalsContact O-N 3.1Å; L190-F194 HydrophobicContact CD2-CE2 4.23Å; L190-F194 WeakPolarHBondContact O-CD2 3.14Å; L190-F194 PolarHBondContact O-N 3.3Å; L190-F194 VanDerWaalsContact O-N 3.12Å |
| 191 | F | 74.7 | Confident | 66 | Low | 115 Ų | 115 | 111.2 Ų | 111.2 | 50% | 0.504 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -55.8 | -50.5 | 175.3 | -174.2 | -102.2 | 0 | 0 | 0 | 111 | F187 Q193 F194 I195 | F187-F191 HydrophobicContact CE1-CB 4.34Å; F187-F191 HydrophobicContact CE1-CD2 4.41Å; F187-F191 HydrophobicContact CE1-CG 4.44Å; F187-F191 HydrophobicContact CZ-CD2 4.28Å; F187-F191 WeakPolarHBondContact O-CB 3.44Å; F187-F191 PolarHBondContact O-N 3.35Å; F191-Q193 PolarHBondContact O-N 3Å; F191-F194 PolarHBondContact O-N 2.84Å; F191-I195 HydrophobicContact CD1-CD1 4.44Å; F191-I195 HydrophobicContact CD1-CG1 3.91Å; F191-I195 HydrophobicContact CD2-CD1 4.36Å; F191-I195 HydrophobicContact CD2-CG1 4.15Å; F191-I195 HydrophobicContact CE1-CD1 3.8Å; F191-I195 HydrophobicContact CE1-CG1 3.74Å; F191-I195 HydrophobicContact CE2-CD1 3.71Å; F191-I195 HydrophobicContact CE2-CG1 3.99Å; F191-I195 HydrophobicContact CG-CG1 4.12Å; F191-I195 HydrophobicContact CZ-CD1 3.39Å; F191-I195 HydrophobicContact CZ-CG1 3.79Å; F191-I195 WeakPolarHBondContact O-CB 3.24Å; F191-I195 WeakPolarHBondContact O-CG1 3.23Å; F191-I195 PolarHBondContact O-N 2.89Å; F191-I195 VanDerWaalsContact O-N 3.1Å |
| 192 | S | 72.5 | Confident | 64.5 | Low | 85 Ų | 85 | 111.9 Ų | 111.9 | 59% | 0.594 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -60.9 | -31.4 | 177.7 | -58.3 | 0 | 0 | 0 | 0 | 113.3 | D188 S189 L190 | D188-S192 WeakPolarHBondContact O-CB 3.42Å; D188-S192 PolarHBondContact O-N 3.07Å; D188-S192 PolarHBondContact O-OG 3.4Å; S189-S192 PolarHBondContact O-N 2.84Å; L190-S192 PolarHBondContact O-N 3.1Å |
| 193 | Q | 70.3 | Confident | 63 | Low | 129 Ų | 129 | 111.1 Ų | 111.1 | 60% | 0.603 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -78.2 | -27.8 | -177.4 | -151.9 | 171.8 | 37.1 | 0 | 0 | 113.2 | S189 L190 F191 | S189-Q193 WeakPolarHBondContact O-CB 3.16Å; S189-Q193 PolarHBondContact O-N 2.92Å; S189-Q193 VanDerWaalsContact O-N 3.11Å; L190-Q193 PolarHBondContact O-N 3.3Å; L190-Q193 VanDerWaalsContact O-N 3.1Å; F191-Q193 PolarHBondContact O-N 3Å |
| 194 | F | 66 | Low | 61 | Low | 148 Ų | 148 | 113.3 Ų | 113.3 | 65% | 0.649 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -103.4 | -6.6 | -178.5 | -67.9 | -71.8 | 0 | 0 | 0 | 114.2 | L190 F191 S196 | L190-F194 HydrophobicContact CD2-CE2 4.23Å; L190-F194 WeakPolarHBondContact O-CD2 3.14Å; L190-F194 PolarHBondContact O-N 3.3Å; L190-F194 VanDerWaalsContact O-N 3.12Å; F191-F194 PolarHBondContact O-N 2.84Å; F194-S196 PolarHBondContact O-N 2.71Å |
| 195 | I | 62.1 | Low | 59.4 | Low | 63 Ų | 63 | 116 Ų | 116 | 32% | 0.323 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.5 | -1.6 | 179.2 | -79.2 | -84.7 | 0 | 0 | 0 | 113.8 | F191 F197 I198 | F191-I195 HydrophobicContact CD1-CD1 4.44Å; F191-I195 HydrophobicContact CD1-CG1 3.91Å; F191-I195 HydrophobicContact CD2-CD1 4.36Å; F191-I195 HydrophobicContact CD2-CG1 4.15Å; F191-I195 HydrophobicContact CE1-CD1 3.8Å; F191-I195 HydrophobicContact CE1-CG1 3.74Å; F191-I195 HydrophobicContact CE2-CD1 3.71Å; F191-I195 HydrophobicContact CE2-CG1 3.99Å; F191-I195 HydrophobicContact CG-CG1 4.12Å; F191-I195 HydrophobicContact CZ-CD1 3.39Å; F191-I195 HydrophobicContact CZ-CG1 3.79Å; F191-I195 WeakPolarHBondContact O-CB 3.24Å; F191-I195 WeakPolarHBondContact O-CG1 3.23Å; F191-I195 PolarHBondContact O-N 2.89Å; F191-I195 VanDerWaalsContact O-N 3.1Å; I195-F197 PolarHBondContact O-N 3.2Å; I195-I198 HydrophobicContact CD1-CD1 3.49Å; I195-I198 VanDerWaalsContact CD1-CD1 3.49Å; I195-I198 HydrophobicContact CD1-CG1 4.22Å; I195-I198 HydrophobicContact CG2-CD1 4.19Å; I195-I198 PolarHBondContact O-N 2.94Å |
| 196 | S | 53.3 | Low | 57.7 | Low | 95 Ų | 95 | 117.9 Ų | 117.9 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -3.4 | -173.5 | -36.4 | 0 | 0 | 0 | 0 | 116 | F194 | F194-S196 PolarHBondContact O-N 2.71Š|
| 197 | F | 50.5 | Low | 55.6 | Low | 207 Ų | 207 | 118.1 Ų | 118.1 | 91% | 0.908 | 64% | 0.638 | S | S | * | * | trans | -131.8 | 75.1 | 168.2 | -88 | -90.5 | 0 | 0 | 0 | 110.6 | I195 | I195-F197 PolarHBondContact O-N 3.2Š| ||
| 198 | I | 45.6 | Very low | 53.5 | Low | 113 Ų | 113 | 121.3 Ų | 121.3 | 58% | 0.579 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -100.1 | 136.9 | 148.1 | -65 | -178.8 | 0 | 0 | 0 | 105.4 | I195 D200 | I195-I198 HydrophobicContact CD1-CD1 3.49Å; I195-I198 VanDerWaalsContact CD1-CD1 3.49Å; I195-I198 HydrophobicContact CD1-CG1 4.22Å; I195-I198 HydrophobicContact CG2-CD1 4.19Å; I195-I198 PolarHBondContact O-N 2.94Å; I198-D200 PolarHBondContact O-N 3.1Å |
| 199 | F | 36.8 | Very low | 51.5 | Low | 207 Ų | 207 | 120.5 Ų | 120.5 | 91% | 0.908 | 66% | 0.66 | S | S | * | * | trans | -51.1 | 111.5 | 168.2 | -73.9 | -87 | 0 | 0 | 0 | 107.7 | P201 | F199-P201 WeakPolarHBondContact O-CD 3.49Š| ||
| 200 | D | 33.6 | Very low | 49.5 | Very low | 124 Ų | 124 | 121 Ų | 121 | 66% | 0.663 | 67% | 0.669 | S | S | * | * | trans | -55.3 | 126 | -179.7 | -155.4 | 1 | 0 | 0 | 0 | 108 | I198 E202 | I198-D200 PolarHBondContact O-N 3.1Å; D200-E202 HydrophobicContact CB-CG 4.25Å; D200-E202 PolarHBondContact O-N 2.95Å | ||
| 201 | P | 42.3 | Very low | 47.5 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | trans | -74.8 | 72.8 | 162.6 | 32.3 | -28.9 | 0 | 0 | 0 | 106.1 | F199 G203 | F199-P201 WeakPolarHBondContact O-CD 3.49Å; P201-G203 PolarHBondContact O-N 3.39Å | ||
| 202 | E | 40.2 | Very low | 45.9 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 74% | 0.738 | 72% | 0.72 | S | S | * | * | trans | -54.5 | 126.7 | 169.4 | -84.6 | -170.1 | 162.9 | 0 | 0 | 107.7 | D200 V204 | D200-E202 HydrophobicContact CB-CG 4.25Å; D200-E202 PolarHBondContact O-N 2.95Å; E202-V204 PolarHBondContact O-N 3.21Å | ||
| 203 | G | 43 | Very low | 44.6 | Very low | 71 Ų | 71 | 133.9 Ų | 133.9 | 73% | 0.732 | 73% | 0.73 | S | S | * | * | trans | -46.2 | 115.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P201 N205 | P201-G203 PolarHBondContact O-N 3.39Å; G203-N205 VanDerWaalsContact C-N 3.26Å; G203-N205 PolarHBondContact O-N 2.97Å | ||
| 204 | V | 37.3 | Very low | 43.7 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | trans | -65.2 | 90.9 | 169.6 | -179.1 | 0 | 0 | 0 | 0 | 107.4 | E202 | E202-V204 PolarHBondContact O-N 3.21Š| ||
| 205 | N | 39.3 | Very low | 43.4 | Very low | 153 Ų | 153 | 126.6 Ų | 126.6 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -60.4 | 132.6 | 152.3 | -91.5 | -31.5 | 0 | 0 | 0 | 107.5 | G203 G207 | G203-N205 VanDerWaalsContact C-N 3.26Å; G203-N205 PolarHBondContact O-N 2.97Å; N205-G207 PolarHBondContact O-N 3.4Å | ||
| 206 | E | 47.3 | Very low | 43.8 | Very low | 203 Ų | 203 | 125.2 Ų | 125.2 | 95% | 0.949 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -38.4 | 102.9 | -178.9 | -64.5 | -178.9 | 147.1 | 0 | 0 | 113.3 | ||
| 207 | G | 37.4 | Very low | 45.4 | Very low | 52 Ų | 52 | 120.7 Ų | 120.7 | 54% | 0.536 | 68% | 0.681 | S | S | . | * | trans | -161.6 | 90.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | N205 P209 | N205-G207 PolarHBondContact O-N 3.4Å; G207-P209 VanDerWaalsContact O-CD 3.28Å; G207-P209 WeakPolarHBondContact O-CD 3.28Å | ||
| 208 | L | 36.1 | Very low | 47.3 | Very low | 172 Ų | 172 | 111.2 Ų | 111.2 | 90% | 0.901 | 64% | 0.639 | S | S | * | * | trans | -38.1 | 112.8 | 175.8 | -78.3 | 138.6 | 0 | 0 | 0 | 109.7 | A210 | L208-A210 PolarHBondContact O-N 3.33Š| ||
| 209 | P | 36.9 | Very low | 49.3 | Very low | 102 Ų | 102 | 110.9 Ų | 110.9 | 66% | 0.662 | 64% | 0.635 | S | S | * | * | trans | -61.6 | 130.6 | 157 | -6.4 | 22.5 | 0 | 0 | 0 | 104.3 | G207 E211 | G207-P209 VanDerWaalsContact O-CD 3.28Å; G207-P209 WeakPolarHBondContact O-CD 3.28Å; P209-E211 PolarHBondContact O-N 2.93Å | ||
| 210 | A | 36.8 | Very low | 51.7 | Low | 91 Ų | 91 | 108.3 Ų | 108.3 | 75% | 0.752 | 62% | 0.624 | S | S | * | * | trans | -48.5 | 117.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | L208 V212 | L208-A210 PolarHBondContact O-N 3.33Å; A210-V212 VanDerWaalsContact C-N 3.33Å; A210-V212 PolarHBondContact O-N 2.8Å | ||
| 211 | E | 35.3 | Very low | 54.2 | Low | 176 Ų | 176 | 104.4 Ų | 104.4 | 82% | 0.822 | 61% | 0.612 | S | S | * | * | trans | -50 | 105.8 | 171.4 | -77.4 | 179.2 | 155 | 0 | 0 | 106.3 | P209 Q213 | P209-E211 PolarHBondContact O-N 2.93Å; E211-Q213 PolarHBondContact O-N 2.87Å | ||
| 212 | V | 40.7 | Very low | 56.6 | Low | 138 Ų | 138 | 100.8 Ų | 100.8 | 84% | 0.836 | 59% | 0.587 | S | S | * | * | trans | -59.6 | 102.7 | 154.5 | 176.9 | 0 | 0 | 0 | 0 | 102.3 | A210 A214 | A210-V212 VanDerWaalsContact C-N 3.33Å; A210-V212 PolarHBondContact O-N 2.8Å; V212-A214 PolarHBondContact O-N 3.29Å | ||
| 213 | Q | 44.8 | Very low | 59.1 | Low | 175 Ų | 175 | 96.3 Ų | 96.3 | 82% | 0.818 | 57% | 0.57 | S | S | * | * | trans | -47.6 | 106.7 | 179.6 | -73.6 | -169.1 | -28.1 | 0 | 0 | 107.1 | E211 S215 | E211-Q213 PolarHBondContact O-N 2.87Å; Q213-S215 PolarHBondContact O-N 2.78Å | ||
| 214 | A | 52.4 | Low | 61.5 | Low | 77 Ų | 77 | 93 Ų | 93 | 64% | 0.636 | 54% | 0.535 | S | S | * | . | trans | -60 | 113.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 105.2 | V212 S216 | V212-A214 PolarHBondContact O-N 3.29Å; A214-S216 PolarHBondContact O-N 3.38Å; A214-S216 VanDerWaalsContact O-N 3.09Å | ||
| 215 | S | 59.4 | Low | 64.1 | Low | 46 Ų | 46 | 88.1 Ų | 88.1 | 32% | 0.322 | 51% | 0.508 | S | S | . | . | trans | -52.3 | 123.2 | 175.6 | 58 | 0 | 0 | 0 | 0 | 107.7 | Q213 G217 Q219 | Q213-S215 PolarHBondContact O-N 2.78Å; S215-G217 PolarHBondContact O-N 2.96Å; S215-Q219 PolarHBondContact OG-NE2 3.1Å | ||
| 216 | S | 71.8 | Confident | 66.6 | Low | 34 Ų | 34 | 81.8 Ų | 81.8 | 24% | 0.238 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -62 | -26.7 | -179.8 | 48.5 | 0 | 0 | 0 | 0 | 112.6 | A214 G292 R293 N294 E355 | A214-S216 PolarHBondContact O-N 3.38Å; A214-S216 VanDerWaalsContact O-N 3.09Å; S216-G292 CarbonylContact O-C 3.6Å; S216-G292 VanDerWaalsContact O-CA 3.31Å; S216-G292 WeakPolarHBondContact O-CA 3.5Å; S216-R293 PolarHBondContact O-N 3.41Å; S216-N294 WeakPolarHBondContact CB-ND2 3.3Å; S216-E355 WeakPolarHBondContact CB-OE1 3.49Å; S216-E355 PolarHBondContact OG-OE1 3.32Å |
| 217 | G | 84.9 | Confident | 68.6 | Low | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -78 | 167.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S215 S353 G354 | S215-G217 PolarHBondContact O-N 2.96Å; G217-S353 WeakPolarHBondContact CA-O 3Å; G217-G354 VanDerWaalsContact CA-C 3.46Å; G217-G354 WeakPolarHBondContact CA-O 3.26Å |
| 218 | Y | 90.6 | Very high | 70.6 | Confident | 9 Ų | 9 | 75.2 Ų | 75.2 | 4% | 0.035 | 43% | 0.434 | C | S | . | . | trans | -70.8 | 147.4 | 174.4 | -67 | -85.1 | 0 | 0 | 0 | 111.5 | D222 V223 L224 A225 F255 L290 R293 G354 L356 | Y218-D222 HydrophobicContact CD1-CB 3.85Å; Y218-V223 WeakPolarHBondContact CE1-O 3.41Å; Y218-L224 HydrophobicContact CD1-CD2 4.18Å; Y218-L224 HydrophobicContact CD2-CD2 4.19Å; Y218-L224 HydrophobicContact CE1-CD2 4.13Å; Y218-L224 HydrophobicContact CE2-CD2 4.14Å; Y218-L224 HydrophobicContact CG-CD2 4.2Å; Y218-A225 PolarHBondContact OH-N 3.27Å; Y218-A225 VanDerWaalsContact OH-N 3.12Å; Y218-F255 VanDerWaalsContact CB-CD1 3.48Å; Y218-F255 VanDerWaalsContact CB-CG 3.41Å; Y218-F255 HydrophobicContact CG-CB 4.4Å; Y218-F255 HydrophobicContact CG-CD2 4.4Å; Y218-F255 HydrophobicContact CG-CG 4.27Å; Y218-F255 WeakPolarHBondContact O-CE1 3.32Å; Y218-L290 WeakPolarHBondContact CE2-O 3.47Å; Y218-L290 PolarHBondContact OH-O 2.82Å; Y218-L290 VanDerWaalsContact OH-O 3.06Å; Y218-R293 HydrophobicContact CD1-CG 3.84Å; Y218-R293 HydrophobicContact CE1-CG 4.04Å; Y218-R293 HydrophobicContact CG-CG 4.37Å; Y218-G354 PolarHBondContact N-O 3.23Å; Y218-G354 WeakPolarHBondContact O-CA 3.41Å; Y218-L356 HydrophobicContact CD2-CD1 4.44Å; Y218-L356 HydrophobicContact CD2-CD2 4.12Å; Y218-L356 HydrophobicContact CD2-CG 4.03Å; Y218-L356 HydrophobicContact CE2-CD1 3.97Å; Y218-L356 HydrophobicContact CE2-CD2 4.46Å; Y218-L356 HydrophobicContact CE2-CG 3.94Å | ||
| 219 | Q | 88.9 | Confident | 72.2 | Confident | 106 Ų | 106 | 73.3 Ų | 73.3 | 50% | 0.495 | 43% | 0.432 | S | S | . | . | trans | -104.6 | 156 | 170.9 | -62.4 | -175.4 | -15.3 | 0 | 0 | 110.2 | S215 G221 D222 F255 | S215-Q219 PolarHBondContact OG-NE2 3.1Å; Q219-G221 PolarHBondContact O-N 3.29Å; Q219-G221 VanDerWaalsContact O-N 3.17Å; Q219-D222 PolarHBondContact N-OD2 3.28Å; Q219-D222 VanDerWaalsContact O-CB 3.28Å; Q219-D222 WeakPolarHBondContact O-CB 3.31Å; Q219-D222 PolarHBondContact O-N 3.36Å; Q219-F255 WeakPolarHBondContact O-CD1 3.28Å | ||
| 220 | F | 87.4 | Confident | 73.6 | Confident | 153 Ų | 153 | 72.1 Ų | 72.1 | 67% | 0.671 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 125.3 | 177.8 | 173.7 | -88.1 | 0 | 0 | 0 | 110.1 | L256 | F220-L256 HydrophobicContact CB-CD1 4.39Å; F220-L256 HydrophobicContact CD2-CB 3.7Å; F220-L256 HydrophobicContact CE2-CB 4.41Å; F220-L256 WeakPolarHBondContact CE2-O 3.41Å |
| 221 | G | 85.9 | Confident | 75 | Confident | 41 Ų | 41 | 71 Ų | 71 | 42% | 0.423 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | -9.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q219 V254 F255 | Q219-G221 PolarHBondContact O-N 3.29Å; Q219-G221 VanDerWaalsContact O-N 3.17Å; G221-V254 VanDerWaalsContact O-CG1 3.32Å; G221-V254 WeakPolarHBondContact O-CG1 3.02Å; G221-F255 PolarHBondContact N-O 2.9Å; G221-F255 VanDerWaalsContact N-O 3.14Å |
| 222 | D | 91.4 | Very high | 76.9 | Confident | 39 Ų | 39 | 69 Ų | 69 | 21% | 0.209 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -71 | 142.7 | 176.2 | -73.8 | -16.9 | 0 | 0 | 0 | 111.4 | Y218 Q219 V254 F255 R293 | Y218-D222 HydrophobicContact CD1-CB 3.85Å; Q219-D222 PolarHBondContact N-OD2 3.28Å; Q219-D222 VanDerWaalsContact O-CB 3.28Å; Q219-D222 WeakPolarHBondContact O-CB 3.31Å; Q219-D222 PolarHBondContact O-N 3.36Å; D222-V254 CarbonylContact O-C 3.51Å; D222-V254 WeakPolarHBondContact O-CA 3.43Å; D222-F255 PolarHBondContact O-N 2.97Å; D222-R293 IonicContact OD1-NH1 3.99Å; D222-R293 WeakPolarHBondContact OD2-CD 3.38Å; D222-R293 IonicContact OD2-CZ 3.94Å; D222-R293 IonicContact OD2-NE 3.51Å; D222-R293 IonicContact OD2-NH1 3Å; D222-R293 PolarHBondContact OD2-NH1 3.15Å |
| 223 | V | 93.1 | Very high | 78.9 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 39% | 0.388 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -77.4 | 130.8 | 176 | 174.9 | 0 | 0 | 0 | 0 | 109.9 | Y218 I235 P252 | Y218-V223 WeakPolarHBondContact CE1-O 3.41Å; V223-I235 HydrophobicContact CG1-CB 4.36Å; V223-I235 HydrophobicContact CG1-CG1 4.22Å; V223-I235 HydrophobicContact CG1-CG2 3.4Å; V223-P252 HydrophobicContact CG1-CB 3.77Å; V223-P252 HydrophobicContact CG2-CB 4.2Å |
| 224 | L | 93.6 | Very high | 81 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 134 | 177.2 | -64.7 | -173.1 | 0 | 0 | 0 | 111 | Y218 F236 A253 F255 I348 L356 F385 | Y218-L224 HydrophobicContact CD1-CD2 4.18Å; Y218-L224 HydrophobicContact CD2-CD2 4.19Å; Y218-L224 HydrophobicContact CE1-CD2 4.13Å; Y218-L224 HydrophobicContact CE2-CD2 4.14Å; Y218-L224 HydrophobicContact CG-CD2 4.2Å; L224-F236 HydrophobicContact CB-CB 3.97Å; L224-F236 HydrophobicContact CB-CD1 4.42Å; L224-F236 HydrophobicContact CD1-CD1 4.12Å; L224-F236 PolarHBondContact O-N 2.77Å; L224-A253 HydrophobicContact CD1-CB 4.14Å; L224-A253 HydrophobicContact CG-CB 4.49Å; L224-A253 PolarHBondContact N-O 3.4Å; L224-F255 HydrophobicContact CD2-CB 4.01Å; L224-F255 HydrophobicContact CD2-CD2 4.14Å; L224-I348 HydrophobicContact CD1-CD1 3.53Å; L224-L356 HydrophobicContact CD2-CD1 4.18Å; L224-F385 HydrophobicContact CD1-CE1 3.93Å; L224-F385 HydrophobicContact CD1-CZ 3.82Å; L224-F385 HydrophobicContact CD2-CE1 4.5Å; L224-F385 HydrophobicContact CG-CZ 4.46Å |
| 225 | A | 91.9 | Very high | 82.8 | Confident | 20 Ų | 20 | 59.9 Ų | 59.9 | 17% | 0.165 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 147 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y218 G234 L290 | Y218-A225 PolarHBondContact OH-N 3.27Å; Y218-A225 VanDerWaalsContact OH-N 3.12Å; A225-G234 CarbonylContact C-O 3.47Å; A225-G234 VanDerWaalsContact CA-O 3.28Å; A225-G234 WeakPolarHBondContact CA-O 3.32Å; A225-L290 HydrophobicContact CB-CB 4.31Å; A225-L290 HydrophobicContact CB-CD1 3.83Å; A225-L290 HydrophobicContact CB-CG 4.37Å; A225-L290 PolarHBondContact O-N 3.32Å |
| 226 | T | 91.6 | Very high | 84.4 | Confident | 20 Ų | 20 | 58 Ų | 58 | 12% | 0.123 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 151.9 | 173 | 49.3 | 0 | 0 | 0 | 0 | 111 | G234 F236 V287 Q288 L289 | T226-G234 PolarHBondContact N-O 2.92Å; T226-G234 PolarHBondContact O-N 3.09Å; T226-G234 VanDerWaalsContact OG1-C 3.26Å; T226-G234 WeakPolarHBondContact OG1-CA 3.28Å; T226-F236 HydrophobicContact CG2-CB 3.74Å; T226-F236 HydrophobicContact CG2-CD2 4.02Å; T226-F236 HydrophobicContact CG2-CG 4.22Å; T226-V287 HydrophobicContact CG2-CG1 3.97Å; T226-Q288 CarbonylContact C-O 3.57Å; T226-Q288 WeakPolarHBondContact CA-O 3.34Å; T226-Q288 WeakPolarHBondContact CB-O 3.38Å; T226-L289 HydrophobicContact CG2-CD2 4.06Å |
| 227 | A | 88.9 | Confident | 85.3 | Confident | 19 Ų | 19 | 61.6 Ų | 61.6 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 115 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q288 L290 V299 | A227-Q288 HydrophobicContact CB-CB 4.2Å; A227-Q288 PolarHBondContact N-O 3.29Å; A227-L290 HydrophobicContact CB-CD2 3.92Å; A227-V299 HydrophobicContact CB-CG1 4.31Å; A227-V299 HydrophobicContact CB-CG2 3.93Å |
| 228 | E | 80.8 | Confident | 85.6 | Confident | 97 Ų | 97 | 61.7 Ų | 61.7 | 45% | 0.453 | 35% | 0.348 | S | S | . | . | trans | -72 | 154.1 | 169.9 | -71.4 | -156.6 | 175.3 | 0 | 0 | 110.8 | S230 G231 Q232 | E228-S230 WeakPolarHBondContact CB-OG 3.17Å; E228-S230 PolarHBondContact O-N 3.26Å; E228-S230 PolarHBondContact OE2-OG 3.14Å; E228-G231 PolarHBondContact O-N 3.17Å; E228-Q232 PolarHBondContact N-O 2.93Å | ||
| 229 | P | 70 | Confident | 85.7 | Confident | 133 Ų | 133 | 61.6 Ų | 61.6 | 86% | 0.864 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -21.3 | 174.1 | -23.9 | 33.4 | 0 | 0 | 0 | 113.8 | G231 | P229-G231 VanDerWaalsContact C-N 3.28Š|
| 230 | S | 65.2 | Low | 85.8 | Confident | 76 Ų | 76 | 57 Ų | 57 | 53% | 0.531 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -7.1 | 175.8 | 62.3 | 0 | 0 | 0 | 0 | 113.9 | E228 Q232 | E228-S230 WeakPolarHBondContact CB-OG 3.17Å; E228-S230 PolarHBondContact O-N 3.26Å; E228-S230 PolarHBondContact OE2-OG 3.14Å; S230-Q232 VanDerWaalsContact C-N 3.31Å |
| 231 | G | 66.7 | Low | 85.7 | Confident | 68 Ų | 68 | 55.3 Ų | 55.3 | 70% | 0.701 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 81.8 | 4.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E228 P229 | E228-G231 PolarHBondContact O-N 3.17Å; P229-G231 VanDerWaalsContact C-N 3.28Å |
| 232 | Q | 75.5 | Confident | 85.5 | Confident | 134 Ų | 134 | 54.7 Ų | 54.7 | 63% | 0.626 | 32% | 0.316 | S | S | * | . | trans | -82.6 | 149 | 174.8 | -64.5 | -173.6 | 13.5 | 0 | 0 | 111.5 | E228 S230 G234 | E228-Q232 PolarHBondContact N-O 2.93Å; S230-Q232 VanDerWaalsContact C-N 3.31Å; Q232-G234 PolarHBondContact O-N 2.86Å | ||
| 233 | K | 82.4 | Confident | 85.2 | Confident | 110 Ų | 110 | 60.4 Ų | 60.4 | 48% | 0.478 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 115 | 174.5 | -66 | -166.3 | 171.5 | -168.6 | 0 | 109.8 | L290 R293 N294 | K233-L290 HydrophobicContact CD-CD1 3.92Å; K233-L290 HydrophobicContact CG-CD1 3.88Å; K233-R293 PolarHBondContact NZ-O 2.87Å; K233-N294 VanDerWaalsContact NZ-C 3.32Å; K233-N294 PolarHBondContact NZ-O 3.37Å |
| 234 | G | 88.1 | Confident | 84.8 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 14% | 0.144 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 179.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A225 T226 Q232 | A225-G234 CarbonylContact C-O 3.47Å; A225-G234 VanDerWaalsContact CA-O 3.28Å; A225-G234 WeakPolarHBondContact CA-O 3.32Å; T226-G234 PolarHBondContact N-O 2.92Å; T226-G234 PolarHBondContact O-N 3.09Å; T226-G234 VanDerWaalsContact OG1-C 3.26Å; T226-G234 WeakPolarHBondContact OG1-CA 3.28Å; Q232-G234 PolarHBondContact O-N 2.86Å |
| 235 | I | 90.6 | Very high | 84.4 | Confident | 74 Ų | 74 | 64.2 Ų | 64.2 | 38% | 0.379 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 139 | 172 | -70.5 | 164.6 | 0 | 0 | 0 | 108.2 | V223 Y237 P252 | V223-I235 HydrophobicContact CG1-CB 4.36Å; V223-I235 HydrophobicContact CG1-CG1 4.22Å; V223-I235 HydrophobicContact CG1-CG2 3.4Å; I235-Y237 HydrophobicContact CB-CD2 4.13Å; I235-Y237 HydrophobicContact CB-CE1 4.37Å; I235-Y237 HydrophobicContact CB-CE2 3.52Å; I235-Y237 VanDerWaalsContact CD1-OH 3.3Å; I235-Y237 WeakPolarHBondContact CD1-OH 3.41Å; I235-Y237 HydrophobicContact CG2-CD1 4.02Å; I235-Y237 HydrophobicContact CG2-CD2 4.03Å; I235-Y237 HydrophobicContact CG2-CE1 3.62Å; I235-Y237 HydrophobicContact CG2-CE2 3.65Å; I235-Y237 HydrophobicContact CG2-CG 4.22Å; I235-Y237 VanDerWaalsContact CG2-CZ 3.41Å; I235-Y237 VanDerWaalsContact O-CD2 3.32Å; I235-Y237 WeakPolarHBondContact O-CD2 3.37Å; I235-Y237 PolarHBondContact O-N 2.75Å; I235-Y237 VanDerWaalsContact O-N 3.13Å; I235-P252 HydrophobicContact CG2-CB 4.04Å |
| 236 | F | 92.8 | Very high | 84.2 | Confident | 8 Ų | 8 | 65 Ų | 65 | 4% | 0.035 | 38% | 0.384 | C | S | . | . | trans | -76.5 | 100.7 | 174.6 | -173.3 | -140.6 | 0 | 0 | 0 | 110.2 | L224 T226 L238 A253 V287 L289 Y346 | L224-F236 HydrophobicContact CB-CB 3.97Å; L224-F236 HydrophobicContact CB-CD1 4.42Å; L224-F236 HydrophobicContact CD1-CD1 4.12Å; L224-F236 PolarHBondContact O-N 2.77Å; T226-F236 HydrophobicContact CG2-CB 3.74Å; T226-F236 HydrophobicContact CG2-CD2 4.02Å; T226-F236 HydrophobicContact CG2-CG 4.22Å; F236-L238 HydrophobicContact CE1-CD1 4.25Å; F236-L238 HydrophobicContact CE1-CG 4.38Å; F236-L238 HydrophobicContact CE2-CD2 4.11Å; F236-L238 HydrophobicContact CE2-CG 4.42Å; F236-L238 HydrophobicContact CZ-CD1 4.21Å; F236-L238 HydrophobicContact CZ-CD2 3.83Å; F236-L238 HydrophobicContact CZ-CG 4.03Å; F236-A253 HydrophobicContact CB-CB 4.41Å; F236-A253 HydrophobicContact CD1-CB 3.38Å; F236-A253 HydrophobicContact CE1-CB 3.9Å; F236-A253 HydrophobicContact CG-CB 4.19Å; F236-A253 PolarHBondContact O-N 2.77Å; F236-V287 HydrophobicContact CD2-CG1 3.8Å; F236-V287 HydrophobicContact CE2-CB 4.49Å; F236-V287 HydrophobicContact CE2-CG1 3.71Å; F236-V287 HydrophobicContact CE2-CG2 4.17Å; F236-L289 HydrophobicContact CB-CD2 3.93Å; F236-L289 HydrophobicContact CD1-CD2 3.77Å; F236-L289 HydrophobicContact CD2-CD2 4.17Å; F236-L289 HydrophobicContact CE1-CD2 4.37Å; F236-L289 HydrophobicContact CG-CD2 3.69Å; F236-Y346 HydrophobicContact CE2-CE1 4.42Å; F236-Y346 AromaticContact CZ-CD1 3.99Å; F236-Y346 HydrophobicContact CZ-CD1 3.99Å; F236-Y346 HydrophobicContact CZ-CD2 4.32Å; F236-Y346 AromaticContact CZ-CE1 3.79Å; F236-Y346 HydrophobicContact CZ-CE1 3.79Å; F236-Y346 HydrophobicContact CZ-CE2 4.15Å; F236-Y346 HydrophobicContact CZ-CG 4.24Å; F236-Y346 AromaticContact CZ-CZ 3.87Å | ||
| 237 | Y | 91.9 | Very high | 84 | Confident | 109 Ų | 109 | 65 Ų | 65 | 43% | 0.427 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 142.2 | 175.4 | -65.4 | -70.8 | 0 | 0 | 0 | 111.5 | I235 S250 S251 P252 | I235-Y237 HydrophobicContact CB-CD2 4.13Å; I235-Y237 HydrophobicContact CB-CE1 4.37Å; I235-Y237 HydrophobicContact CB-CE2 3.52Å; I235-Y237 VanDerWaalsContact CD1-OH 3.3Å; I235-Y237 WeakPolarHBondContact CD1-OH 3.41Å; I235-Y237 HydrophobicContact CG2-CD1 4.02Å; I235-Y237 HydrophobicContact CG2-CD2 4.03Å; I235-Y237 HydrophobicContact CG2-CE1 3.62Å; I235-Y237 HydrophobicContact CG2-CE2 3.65Å; I235-Y237 HydrophobicContact CG2-CG 4.22Å; I235-Y237 VanDerWaalsContact CG2-CZ 3.41Å; I235-Y237 VanDerWaalsContact O-CD2 3.32Å; I235-Y237 WeakPolarHBondContact O-CD2 3.37Å; I235-Y237 PolarHBondContact O-N 2.75Å; I235-Y237 VanDerWaalsContact O-N 3.13Å; Y237-S250 VanDerWaalsContact CD1-C 3.47Å; Y237-S251 WeakPolarHBondContact CA-O 3.44Å; Y237-P252 HydrophobicContact CD1-CB 4.22Å; Y237-P252 HydrophobicContact CE1-CB 4.06Å |
| 238 | L | 91.2 | Very high | 84.1 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 1% | 0.01 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 149.5 | 167.3 | -70.3 | 171.4 | 0 | 0 | 0 | 110.5 | F236 A240 S251 Y346 V383 | F236-L238 HydrophobicContact CE1-CD1 4.25Å; F236-L238 HydrophobicContact CE1-CG 4.38Å; F236-L238 HydrophobicContact CE2-CD2 4.11Å; F236-L238 HydrophobicContact CE2-CG 4.42Å; F236-L238 HydrophobicContact CZ-CD1 4.21Å; F236-L238 HydrophobicContact CZ-CD2 3.83Å; F236-L238 HydrophobicContact CZ-CG 4.03Å; L238-A240 PolarHBondContact O-N 3.24Å; L238-S251 PolarHBondContact N-O 3.42Å; L238-S251 WeakPolarHBondContact O-CB 3.19Å; L238-Y346 HydrophobicContact CD1-CD2 4.23Å; L238-Y346 HydrophobicContact CD1-CE2 4.39Å; L238-Y346 HydrophobicContact CD2-CD2 4.14Å; L238-Y346 HydrophobicContact CD2-CE2 3.48Å; L238-Y346 VanDerWaalsContact CD2-CE2 3.48Å; L238-V383 HydrophobicContact CD1-CG2 3.04Å; L238-V383 HydrophobicContact CG-CG2 4.5Å |
| 239 | P | 91.5 | Very high | 84.2 | Confident | 6 Ų | 6 | 66.9 Ų | 66.9 | 4% | 0.039 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 132.3 | 174.1 | -16.3 | 29.7 | 0 | 0 | 0 | 110.2 | C247 V248 N249 S261 Y284 F381 | P239-C247 HydrophobicContact CB-CB 4.35Å; P239-V248 WeakPolarHBondContact CA-O 3.41Å; P239-N249 WeakPolarHBondContact CG-OD1 3.46Å; P239-S261 PolarHBondContact O-OG 3.42Å; P239-Y284 HydrophobicContact CG-CE1 4.06Å; P239-F381 HydrophobicContact CB-CD2 3.92Å; P239-F381 HydrophobicContact CB-CE2 3.53Å; P239-F381 HydrophobicContact CB-CZ 3.98Å; P239-F381 HydrophobicContact CG-CD1 4.43Å; P239-F381 HydrophobicContact CG-CD2 4.19Å; P239-F381 HydrophobicContact CG-CE1 4.01Å; P239-F381 HydrophobicContact CG-CE2 3.72Å; P239-F381 HydrophobicContact CG-CZ 3.62Å; P239-F381 VanDerWaalsContact O-CD2 3.22Å; P239-F381 WeakPolarHBondContact O-CD2 3.45Å |
| 240 | A | 90.3 | Very high | 84.9 | Confident | 10 Ų | 10 | 64.1 Ų | 64.1 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 172.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L238 C247 V248 | L238-A240 PolarHBondContact O-N 3.24Å; A240-C247 CarbonylContact O-C 3.57Å; A240-C247 WeakPolarHBondContact O-CA 3.46Å; A240-V248 PolarHBondContact N-O 3.31Å; A240-V248 VanDerWaalsContact N-O 3.11Å; A240-V248 WeakPolarHBondContact O-CG2 3.14Å; A240-V248 PolarHBondContact O-N 3.32Å |
| 241 | H | 87.3 | Confident | 86.1 | Confident | 117 Ų | 117 | 62.2 Ų | 62.2 | 54% | 0.542 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 137 | 172.6 | 62.4 | -85.9 | 0 | 0 | 0 | 109.8 | C263 | H241-C263 HydrophobicContact CB-CB 4.29Å |
| 242 | G | 81.6 | Confident | 87.4 | Confident | 28 Ų | 28 | 61.1 Ų | 61.1 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | trans | -85.4 | -140.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T244 D246 | G242-T244 CarbonylContact C-O 3.6Å; G242-T244 PolarHBondContact N-O 3.25Å; G242-T244 PolarHBondContact O-N 3.49Å; G242-D246 PolarHBondContact N-O 2.92Å | ||
| 243 | V | 84.6 | Confident | 88.2 | Confident | 159 Ų | 159 | 54.7 Ų | 54.7 | 96% | 0.964 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -68 | -28.8 | 170.9 | -178 | 0 | 0 | 0 | 0 | 111.3 | ||
| 244 | T | 84.8 | Confident | 88.7 | Confident | 79 Ų | 79 | 50.6 Ų | 50.6 | 49% | 0.485 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -103.9 | 172.4 | 171.7 | 65.3 | 0 | 0 | 0 | 0 | 110.3 | G242 D246 | G242-T244 CarbonylContact C-O 3.6Å; G242-T244 PolarHBondContact N-O 3.25Å; G242-T244 PolarHBondContact O-N 3.49Å; T244-D246 PolarHBondContact O-N 2.86Å; T244-D246 WeakPolarHBondContact OG1-CB 3.4Å; T244-D246 PolarHBondContact OG1-N 3.07Å; T244-D246 PolarHBondContact OG1-OD2 3.46Å |
| 245 | A | 84.9 | Confident | 89 | Confident | 65 Ų | 65 | 50 Ų | 50 | 54% | 0.537 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -64.1 | -5.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | C263 S264 | A245-C263 CarbonylContact O-C 3.57Å; A245-S264 PolarHBondContact O-N 2.94Å |
| 246 | D | 87 | Confident | 88.9 | Confident | 38 Ų | 38 | 49.2 Ų | 49.2 | 20% | 0.203 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -69.6 | 142.1 | -179.5 | -59.4 | -61.7 | 0 | 0 | 0 | 111.6 | G242 T244 S264 R266 | G242-D246 PolarHBondContact N-O 2.92Å; T244-D246 PolarHBondContact O-N 2.86Å; T244-D246 WeakPolarHBondContact OG1-CB 3.4Å; T244-D246 PolarHBondContact OG1-N 3.07Å; T244-D246 PolarHBondContact OG1-OD2 3.46Å; D246-S264 VanDerWaalsContact CA-O 3.29Å; D246-S264 WeakPolarHBondContact CA-O 3.45Å; D246-R266 IonicContact OD1-CZ 2.71Å; D246-R266 IonicContact OD1-NE 3.22Å; D246-R266 PolarHBondContact OD1-NE 3.28Å; D246-R266 IonicContact OD1-NH2 2.84Å; D246-R266 PolarHBondContact OD1-NH2 2.79Å; D246-R266 IonicContact OD2-CZ 3.53Å; D246-R266 IonicContact OD2-NE 2.82Å; D246-R266 IonicContact OD2-NH2 3.3Å; D246-R266 PolarHBondContact OD2-NH2 3.39Å |
| 247 | C | 88.6 | Confident | 88.7 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 13% | 0.128 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 132.5 | 177.2 | -64.6 | 0 | 0 | 0 | 0 | 112 | P239 A240 C263 S264 | P239-C247 HydrophobicContact CB-CB 4.35Å; A240-C247 CarbonylContact O-C 3.57Å; A240-C247 WeakPolarHBondContact O-CA 3.46Å; C247-C263 VanDerWaalsContact CA-SG 3.53Å; C247-C263 HydrophobicContact CB-CB 3.82Å; C247-C263 WeakPolarHBondContact CB-SG 3.47Å; C247-C263 WeakPolarHBondContact SG-CB 3.42Å; C247-C263 CovalentContact SG-SG 2.03Å; C247-C263 PolarHBondContact SG-SG 2.91Å; C247-S264 PolarHBondContact N-O 2.81Å |
| 248 | V | 89.4 | Confident | 88.4 | Confident | 53 Ų | 53 | 53.4 Ų | 53.4 | 32% | 0.321 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.2 | 170.3 | -63.5 | 0 | 0 | 0 | 0 | 110.4 | P239 A240 S250 | P239-V248 WeakPolarHBondContact CA-O 3.41Å; A240-V248 PolarHBondContact N-O 3.31Å; A240-V248 VanDerWaalsContact N-O 3.11Å; A240-V248 WeakPolarHBondContact O-CG2 3.14Å; A240-V248 PolarHBondContact O-N 3.32Å; V248-S250 PolarHBondContact O-N 3.31Å |
| 249 | N | 84.3 | Confident | 88.1 | Confident | 103 Ų | 103 | 54.9 Ų | 54.9 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 46.2 | -179.3 | -67.6 | -3.7 | 0 | 0 | 0 | 112 | P239 | P239-N249 WeakPolarHBondContact CG-OD1 3.46Å |
| 250 | S | 84.1 | Confident | 88 | Confident | 74 Ų | 74 | 58.7 Ų | 58.7 | 52% | 0.517 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 9.7 | -174.8 | 57.2 | 0 | 0 | 0 | 0 | 113.6 | Y237 V248 P252 | Y237-S250 VanDerWaalsContact CD1-C 3.47Å; V248-S250 PolarHBondContact O-N 3.31Å; S250-P252 WeakPolarHBondContact O-CD 3.2Å |
| 251 | S | 91 | Very high | 88 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 107.9 | 175.9 | -175.7 | 0 | 0 | 0 | 0 | 110 | Y237 L238 | Y237-S251 WeakPolarHBondContact CA-O 3.44Å; L238-S251 PolarHBondContact N-O 3.42Å; L238-S251 WeakPolarHBondContact O-CB 3.19Å |
| 252 | P | 92.9 | Very high | 88.2 | Confident | 45 Ų | 45 | 60.2 Ų | 60.2 | 29% | 0.292 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 141.5 | 179.6 | 29.5 | -34.4 | 0 | 0 | 0 | 110.5 | V223 I235 Y237 S250 | V223-P252 HydrophobicContact CG1-CB 3.77Å; V223-P252 HydrophobicContact CG2-CB 4.2Å; I235-P252 HydrophobicContact CG2-CB 4.04Å; Y237-P252 HydrophobicContact CD1-CB 4.22Å; Y237-P252 HydrophobicContact CE1-CB 4.06Å; S250-P252 WeakPolarHBondContact O-CD 3.2Å |
| 253 | A | 93.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -78.5 | 131 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110 | L224 F236 | L224-A253 HydrophobicContact CD1-CB 4.14Å; L224-A253 HydrophobicContact CG-CB 4.49Å; L224-A253 PolarHBondContact N-O 3.4Å; F236-A253 HydrophobicContact CB-CB 4.41Å; F236-A253 HydrophobicContact CD1-CB 3.38Å; F236-A253 HydrophobicContact CE1-CB 3.9Å; F236-A253 HydrophobicContact CG-CB 4.19Å; F236-A253 PolarHBondContact O-N 2.77Å | ||
| 254 | V | 93.8 | Very high | 88.9 | Confident | 23 Ų | 23 | 52.7 Ų | 52.7 | 14% | 0.139 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -115.4 | 131.2 | -172.4 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | G221 D222 L256 K257 F385 | G221-V254 VanDerWaalsContact O-CG1 3.32Å; G221-V254 WeakPolarHBondContact O-CG1 3.02Å; D222-V254 CarbonylContact O-C 3.51Å; D222-V254 WeakPolarHBondContact O-CA 3.43Å; V254-L256 PolarHBondContact O-N 3.27Å; V254-K257 HydrophobicContact CB-CB 4.08Å; V254-K257 HydrophobicContact CB-CD 4.35Å; V254-K257 HydrophobicContact CG1-CB 4.11Å; V254-K257 HydrophobicContact CG1-CD 4.39Å; V254-K257 PolarHBondContact O-N 3.32Å; V254-K257 VanDerWaalsContact O-N 3.14Å; V254-F385 WeakPolarHBondContact O-CE2 3.12Å; V254-F385 VanDerWaalsContact O-CZ 3.24Å; V254-F385 WeakPolarHBondContact O-CZ 3.24Å |
| 255 | F | 94 | Very high | 88.9 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 130.9 | -176.8 | -174.3 | -113 | 0 | 0 | 0 | 112 | Y218 Q219 G221 D222 L224 K257 Y350 L356 F385 | Y218-F255 VanDerWaalsContact CB-CD1 3.48Å; Y218-F255 VanDerWaalsContact CB-CG 3.41Å; Y218-F255 HydrophobicContact CG-CB 4.4Å; Y218-F255 HydrophobicContact CG-CD2 4.4Å; Y218-F255 HydrophobicContact CG-CG 4.27Å; Y218-F255 WeakPolarHBondContact O-CE1 3.32Å; Q219-F255 WeakPolarHBondContact O-CD1 3.28Å; G221-F255 PolarHBondContact N-O 2.9Å; G221-F255 VanDerWaalsContact N-O 3.14Å; D222-F255 PolarHBondContact O-N 2.97Å; L224-F255 HydrophobicContact CD2-CB 4.01Å; L224-F255 HydrophobicContact CD2-CD2 4.14Å; F255-K257 PolarHBondContact O-N 2.75Å; F255-Y350 HydrophobicContact CE2-CD1 4.39Å; F255-Y350 HydrophobicContact CE2-CD2 4.32Å; F255-Y350 AromaticContact CE2-CG 3.92Å; F255-Y350 HydrophobicContact CE2-CG 3.92Å; F255-Y350 AromaticContact CZ-CD2 3.75Å; F255-Y350 HydrophobicContact CZ-CD2 3.75Å; F255-Y350 HydrophobicContact CZ-CE2 4.44Å; F255-Y350 AromaticContact CZ-CG 3.84Å; F255-Y350 HydrophobicContact CZ-CG 3.84Å; F255-L356 HydrophobicContact CD2-CD2 3.91Å; F255-L356 HydrophobicContact CE2-CD2 3.61Å; F255-F385 HydrophobicContact CD2-CD1 4.03Å; F255-F385 AromaticContact CD2-CE1 3.77Å; F255-F385 HydrophobicContact CD2-CE1 3.77Å; F255-F385 HydrophobicContact CE2-CD1 4.27Å; F255-F385 HydrophobicContact CE2-CE1 4.41Å |
| 256 | L | 87.9 | Confident | 88.6 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 30% | 0.298 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 22.4 | -176.9 | -60.2 | 171.9 | 0 | 0 | 0 | 115.1 | F220 V254 Y350 F385 | F220-L256 HydrophobicContact CB-CD1 4.39Å; F220-L256 HydrophobicContact CD2-CB 3.7Å; F220-L256 HydrophobicContact CE2-CB 4.41Å; F220-L256 WeakPolarHBondContact CE2-O 3.41Å; V254-L256 PolarHBondContact O-N 3.27Å; L256-Y350 HydrophobicContact CD2-CD1 4.02Å; L256-Y350 HydrophobicContact CD2-CD2 4.3Å; L256-Y350 HydrophobicContact CD2-CE1 3.36Å; L256-Y350 HydrophobicContact CD2-CE2 3.72Å; L256-Y350 HydrophobicContact CD2-CG 4.46Å; L256-Y350 WeakPolarHBondContact CD2-OH 3.37Å; L256-F385 HydrophobicContact CD2-CB 4.05Å |
| 257 | K | 88.2 | Confident | 88 | Confident | 124 Ų | 124 | 54 Ų | 54 | 54% | 0.539 | 28% | 0.278 | S | S | . | . | trans | -116.9 | 91 | 171.7 | -166.8 | 177.2 | -177.8 | -179.4 | 0 | 109.4 | V254 F255 Q259 | V254-K257 HydrophobicContact CB-CB 4.08Å; V254-K257 HydrophobicContact CB-CD 4.35Å; V254-K257 HydrophobicContact CG1-CB 4.11Å; V254-K257 HydrophobicContact CG1-CD 4.39Å; V254-K257 PolarHBondContact O-N 3.32Å; V254-K257 VanDerWaalsContact O-N 3.14Å; F255-K257 PolarHBondContact O-N 2.75Å; K257-Q259 PolarHBondContact O-N 2.89Å | ||
| 258 | D | 86.2 | Confident | 86.8 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | trans | -55.8 | 127 | 173.1 | -71.3 | -1.7 | 0 | 0 | 0 | 109.2 | V383 I384 F385 | D258-V383 WeakPolarHBondContact CA-O 3.22Å; D258-I384 WeakPolarHBondContact OD1-CA 3.43Å; D258-F385 PolarHBondContact OD1-N 3.23Å | ||
| 259 | Q | 85.5 | Confident | 85.5 | Confident | 33 Ų | 33 | 55.8 Ų | 55.8 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 138.4 | -174.4 | 57.7 | 179.8 | 69 | 0 | 0 | 110.2 | K257 Q382 V383 | K257-Q259 PolarHBondContact O-N 2.89Å; Q259-Q382 CarbonylContact O-C 3.53Å; Q259-Q382 VanDerWaalsContact O-CA 3.25Å; Q259-Q382 WeakPolarHBondContact O-CA 3.3Å; Q259-V383 HydrophobicContact CG-CB 3.77Å; Q259-V383 HydrophobicContact CG-CG2 3.84Å; Q259-V383 PolarHBondContact N-O 2.64Å; Q259-V383 VanDerWaalsContact N-O 3.07Å; Q259-V383 PolarHBondContact O-N 3.27Å |
| 260 | T | 88.7 | Confident | 84 | Confident | 86 Ų | 86 | 59 Ų | 59 | 53% | 0.528 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 129.9 | 168.8 | -56.5 | 0 | 0 | 0 | 0 | 107.8 | E380 F381 | T260-E380 HydrophobicContact CG2-CG 4.34Å; T260-F381 CarbonylContact C-O 3.59Å; T260-F381 WeakPolarHBondContact CA-O 3.4Å |
| 261 | S | 89.4 | Confident | 82.9 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 142.4 | -179.3 | 65.4 | 0 | 0 | 0 | 0 | 110.1 | P239 E380 F381 | P239-S261 PolarHBondContact O-OG 3.42Å; S261-E380 CarbonylContact O-C 3.48Å; S261-E380 WeakPolarHBondContact O-CA 3.13Å; S261-F381 PolarHBondContact N-O 2.96Å; S261-F381 PolarHBondContact O-N 3.14Å; S261-F381 PolarHBondContact OG-O 3.02Å |
| 262 | R | 91.6 | Very high | 81.7 | Confident | 147 Ų | 147 | 60 Ų | 60 | 56% | 0.555 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.2 | 174.5 | -73.6 | 179 | 160.2 | -169.7 | -6.5 | 108.1 | Q379 E380 | R262-Q379 WeakPolarHBondContact CA-O 3.34Å; R262-E380 HydrophobicContact CG-CB 4.21Å; R262-E380 HydrophobicContact CG-CG 3.94Å; R262-E380 IonicContact CZ-OE2 3.83Å; R262-E380 VanDerWaalsContact CZ-OE2 3.22Å; R262-E380 IonicContact NE-OE2 2.84Å; R262-E380 PolarHBondContact NE-OE2 2.69Å; R262-E380 IonicContact NH2-OE2 2.83Å; R262-E380 PolarHBondContact NH2-OE2 2.78Å |
| 263 | C | 91.3 | Very high | 80.8 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.014 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 163.9 | 178.1 | 65.2 | 0 | 0 | 0 | 0 | 110.4 | H241 A245 C247 Q378 Q379 | H241-C263 HydrophobicContact CB-CB 4.29Å; A245-C263 CarbonylContact O-C 3.57Å; C247-C263 VanDerWaalsContact CA-SG 3.53Å; C247-C263 HydrophobicContact CB-CB 3.82Å; C247-C263 WeakPolarHBondContact CB-SG 3.47Å; C247-C263 WeakPolarHBondContact SG-CB 3.42Å; C247-C263 CovalentContact SG-SG 2.03Å; C247-C263 PolarHBondContact SG-SG 2.91Å; C263-Q378 CarbonylContact O-C 3.45Å; C263-Q378 WeakPolarHBondContact O-CA 3.4Å; C263-Q379 PolarHBondContact N-O 2.86Å; C263-Q379 VanDerWaalsContact N-O 3.11Å; C263-Q379 PolarHBondContact O-N 2.83Å |
| 264 | S | 89.3 | Confident | 79.8 | Confident | 27 Ų | 27 | 59.8 Ų | 59.8 | 19% | 0.189 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115.2 | -178 | -64.9 | 0 | 0 | 0 | 0 | 110 | A245 D246 C247 L377 | A245-S264 PolarHBondContact O-N 2.94Å; D246-S264 VanDerWaalsContact CA-O 3.29Å; D246-S264 WeakPolarHBondContact CA-O 3.45Å; C247-S264 PolarHBondContact N-O 2.81Å; S264-L377 CarbonylContact C-O 3.6Å; S264-L377 WeakPolarHBondContact CA-O 3.29Å |
| 265 | Q | 86.2 | Confident | 78.9 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 17% | 0.173 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 124.8 | 176.9 | -176.9 | 61.6 | 17.9 | 0 | 0 | 110.2 | L267 A278 S376 L377 | Q265-L267 PolarHBondContact O-N 3.06Å; Q265-A278 HydrophobicContact CG-CB 4.42Å; Q265-S376 CarbonylContact O-C 3.57Å; Q265-S376 VanDerWaalsContact O-CA 3.26Å; Q265-S376 WeakPolarHBondContact O-CA 3.04Å; Q265-L377 PolarHBondContact N-O 2.99Å; Q265-L377 PolarHBondContact O-N 3.24Å |
| 266 | R | 77.9 | Confident | 78.2 | Confident | 164 Ų | 164 | 64.4 Ų | 64.4 | 62% | 0.619 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 127.2 | 173.4 | -63.5 | -173.6 | -169 | -178.2 | 4.7 | 110.6 | D246 A268 N375 | D246-R266 IonicContact OD1-CZ 2.71Å; D246-R266 IonicContact OD1-NE 3.22Å; D246-R266 PolarHBondContact OD1-NE 3.28Å; D246-R266 IonicContact OD1-NH2 2.84Å; D246-R266 PolarHBondContact OD1-NH2 2.79Å; D246-R266 IonicContact OD2-CZ 3.53Å; D246-R266 IonicContact OD2-NE 2.82Å; D246-R266 IonicContact OD2-NH2 3.3Å; D246-R266 PolarHBondContact OD2-NH2 3.39Å; R266-A268 PolarHBondContact O-N 3.12Å; R266-N375 CarbonylContact C-O 3.59Å; R266-N375 WeakPolarHBondContact CA-O 3.13Å |
| 267 | L | 74.7 | Confident | 78 | Confident | 9 Ų | 9 | 68.3 Ų | 68.3 | 5% | 0.047 | 36% | 0.362 | C | S | . | . | trans | -93.5 | 89.3 | -179.8 | -66.8 | 175.2 | 0 | 0 | 0 | 109.3 | Q265 L269 L276 L279 V368 N375 L377 | Q265-L267 PolarHBondContact O-N 3.06Å; L267-L269 VanDerWaalsContact C-N 3.29Å; L267-L269 HydrophobicContact CB-CD1 3.91Å; L267-L269 HydrophobicContact CB-CG 4.02Å; L267-L269 HydrophobicContact CD1-CD1 4.25Å; L267-L269 HydrophobicContact CD2-CD1 4.39Å; L267-L269 HydrophobicContact CG-CD1 4.43Å; L267-L269 PolarHBondContact O-N 2.86Å; L267-L276 HydrophobicContact CD2-CD1 4.46Å; L267-L279 HydrophobicContact CD2-CD1 3.76Å; L267-L279 HydrophobicContact CD2-CD2 4.18Å; L267-V368 HydrophobicContact CD1-CG1 4.02Å; L267-N375 PolarHBondContact N-O 2.79Å; L267-L377 HydrophobicContact CD1-CB 4.04Å; L267-L377 HydrophobicContact CD2-CB 4.29Å; L267-L377 HydrophobicContact CG-CB 4.16Å | ||
| 268 | A | 62.9 | Low | 77.8 | Confident | 73 Ų | 73 | 63 Ų | 63 | 60% | 0.603 | 34% | 0.341 | S | S | * | . | trans | -85.7 | 72.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | R266 D270 | R266-A268 PolarHBondContact O-N 3.12Å; A268-D270 VanDerWaalsContact C-N 3.32Å; A268-D270 PolarHBondContact O-N 2.86Å | ||
| 269 | L | 61.7 | Low | 77.8 | Confident | 36 Ų | 36 | 59.1 Ų | 59.1 | 19% | 0.188 | 32% | 0.32 | C | S | . | . | trans | -85.6 | 67.6 | -172.4 | -68.1 | 166.4 | 0 | 0 | 0 | 111.9 | L267 G271 C273 L276 T370 | L267-L269 VanDerWaalsContact C-N 3.29Å; L267-L269 HydrophobicContact CB-CD1 3.91Å; L267-L269 HydrophobicContact CB-CG 4.02Å; L267-L269 HydrophobicContact CD1-CD1 4.25Å; L267-L269 HydrophobicContact CD2-CD1 4.39Å; L267-L269 HydrophobicContact CG-CD1 4.43Å; L267-L269 PolarHBondContact O-N 2.86Å; L269-G271 PolarHBondContact O-N 2.9Å; L269-C273 HydrophobicContact CD2-CB 4.49Å; L269-L276 HydrophobicContact CD2-CD1 4.31Å; L269-T370 HydrophobicContact CD1-CG2 3.38Å | ||
| 270 | D | 54.7 | Low | 77.9 | Confident | 169 Ų | 169 | 60.8 Ų | 60.8 | 90% | 0.904 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -81.9 | 50.9 | 172.6 | -74.6 | -27.5 | 0 | 0 | 0 | 112.2 | A268 | A268-D270 VanDerWaalsContact C-N 3.32Å; A268-D270 PolarHBondContact O-N 2.86Å |
| 271 | G | 60.2 | Low | 77.8 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 31% | 0.309 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 134.3 | -75.1 | 172 | 0 | 0 | 0 | 0 | 0 | 115.2 | L269 R331 | L269-G271 PolarHBondContact O-N 2.9Å; G271-R331 WeakPolarHBondContact O-CD 3.41Å; G271-R331 PolarHBondContact O-NH1 3.4Å |
| 272 | D | 65 | Low | 77.7 | Confident | 103 Ų | 103 | 57.8 Ų | 57.8 | 55% | 0.551 | 31% | 0.305 | S | S | * | . | trans | -113.3 | 124.5 | -170.5 | -94.3 | -34 | 0 | 0 | 0 | 113.2 | S274 S275 | D272-S274 PolarHBondContact O-N 2.82Å; D272-S275 WeakPolarHBondContact O-CB 3.45Å; D272-S275 PolarHBondContact O-N 3.11Å; D272-S275 PolarHBondContact O-OG 3.4Å | ||
| 273 | C | 74.6 | Confident | 77.6 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.014 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -65.2 | -23 | 177.3 | -48.7 | 0 | 0 | 0 | 0 | 112.5 | L269 S275 P329 C337 | L269-C273 HydrophobicContact CD2-CB 4.49Å; C273-S275 VanDerWaalsContact C-N 3.33Å; C273-P329 HydrophobicContact CB-CB 3.89Å; C273-C337 HydrophobicContact CB-CB 3.73Å; C273-C337 WeakPolarHBondContact CB-SG 3.49Å; C273-C337 WeakPolarHBondContact SG-CB 3.26Å; C273-C337 CovalentContact SG-SG 2.03Å; C273-C337 PolarHBondContact SG-SG 3.21Å |
| 274 | S | 72.9 | Confident | 77.5 | Confident | 38 Ų | 38 | 53.7 Ų | 53.7 | 27% | 0.266 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -79.1 | -12.5 | -179.7 | 57.7 | 0 | 0 | 0 | 0 | 113.9 | D272 L276 R280 | D272-S274 PolarHBondContact O-N 2.82Å; S274-L276 VanDerWaalsContact C-N 3.3Å; S274-L276 PolarHBondContact O-N 2.91Å; S274-R280 WeakPolarHBondContact O-CD 3.28Å |
| 275 | S | 74.5 | Confident | 77.5 | Confident | 82 Ų | 82 | 52.8 Ų | 52.8 | 57% | 0.573 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -69.4 | -27.6 | -179.7 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | D272 C273 Q277 | D272-S275 WeakPolarHBondContact O-CB 3.45Å; D272-S275 PolarHBondContact O-N 3.11Å; D272-S275 PolarHBondContact O-OG 3.4Å; C273-S275 VanDerWaalsContact C-N 3.33Å; S275-Q277 PolarHBondContact O-N 3.13Å |
| 276 | L | 79.3 | Confident | 77.6 | Confident | 41 Ų | 41 | 56.8 Ų | 56.8 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | trans | -89 | 106.2 | -179.2 | -66.7 | 172.6 | 0 | 0 | 0 | 110.3 | L267 L269 S274 A278 L279 | L267-L276 HydrophobicContact CD2-CD1 4.46Å; L269-L276 HydrophobicContact CD2-CD1 4.31Å; S274-L276 VanDerWaalsContact C-N 3.3Å; S274-L276 PolarHBondContact O-N 2.91Å; L276-A278 PolarHBondContact O-N 3.06Å; L276-L279 HydrophobicContact CB-CB 4.49Å; L276-L279 HydrophobicContact CB-CD1 3.92Å; L276-L279 HydrophobicContact CB-CG 3.92Å; L276-L279 HydrophobicContact CD1-CD1 3.8Å; L276-L279 HydrophobicContact CD1-CG 4.42Å; L276-L279 HydrophobicContact CG-CD1 4.48Å; L276-L279 PolarHBondContact O-N 2.74Å | ||
| 277 | Q | 83.6 | Confident | 78.2 | Confident | 139 Ų | 139 | 49.9 Ų | 49.9 | 65% | 0.65 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -53.2 | -38.9 | 176.6 | -70.7 | 178.8 | -18.2 | 0 | 0 | 112.6 | S275 L279 R280 T283 | S275-Q277 PolarHBondContact O-N 3.13Å; Q277-L279 PolarHBondContact O-N 3Å; Q277-R280 PolarHBondContact O-N 3.18Å; Q277-T283 HydrophobicContact CB-CG2 4.49Å; Q277-T283 WeakPolarHBondContact O-CB 3.39Å; Q277-T283 PolarHBondContact O-OG1 3.4Å |
| 278 | A | 83.9 | Confident | 79 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -58.2 | -19.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q265 L276 Y284 Q379 | Q265-A278 HydrophobicContact CG-CB 4.42Å; L276-A278 PolarHBondContact O-N 3.06Å; A278-Y284 WeakPolarHBondContact O-CE2 3.14Å; A278-Y284 PolarHBondContact O-OH 2.85Å; A278-Q379 PolarHBondContact O-NE2 2.74Å |
| 279 | L | 85.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -97.6 | -15.9 | 179.6 | -56.7 | -176.4 | 0 | 0 | 0 | 113.3 | L267 L276 Q277 P329 M340 V341 L377 | L267-L279 HydrophobicContact CD2-CD1 3.76Å; L267-L279 HydrophobicContact CD2-CD2 4.18Å; L276-L279 HydrophobicContact CB-CB 4.49Å; L276-L279 HydrophobicContact CB-CD1 3.92Å; L276-L279 HydrophobicContact CB-CG 3.92Å; L276-L279 HydrophobicContact CD1-CD1 3.8Å; L276-L279 HydrophobicContact CD1-CG 4.42Å; L276-L279 HydrophobicContact CG-CD1 4.48Å; L276-L279 PolarHBondContact O-N 2.74Å; Q277-L279 PolarHBondContact O-N 3Å; L279-P329 HydrophobicContact CB-CG 4.21Å; L279-M340 HydrophobicContact CB-CB 4.42Å; L279-M340 HydrophobicContact CB-CG 4.24Å; L279-M340 HydrophobicContact CD1-CG 4.26Å; L279-M340 HydrophobicContact CD1-SD 4.07Å; L279-V341 PolarHBondContact O-N 2.82Å; L279-V341 VanDerWaalsContact O-N 3.08Å; L279-L377 HydrophobicContact CD2-CD2 3.6Å |
| 280 | R | 87.5 | Confident | 81.9 | Confident | 68 Ų | 68 | 48.9 Ų | 48.9 | 26% | 0.257 | 27% | 0.27 | S | S | . | . | trans | -83.7 | 144.5 | -173.5 | -58.6 | 170.3 | 56.8 | 149.6 | -1.6 | 111.1 | S274 Q277 D282 Y284 P329 | S274-R280 WeakPolarHBondContact O-CD 3.28Å; Q277-R280 PolarHBondContact O-N 3.18Å; R280-D282 WeakPolarHBondContact CB-OD1 3.43Å; R280-D282 IonicContact CZ-OD1 3.71Å; R280-D282 IonicContact CZ-OD2 3.21Å; R280-D282 IonicContact NE-OD1 3.65Å; R280-D282 PolarHBondContact NE-OD1 3.46Å; R280-D282 IonicContact NE-OD2 2.96Å; R280-D282 PolarHBondContact NE-OD2 2.82Å; R280-D282 IonicContact NH2-OD1 3.24Å; R280-D282 IonicContact NH2-OD2 2.63Å; R280-D282 PolarHBondContact NH2-OD2 2.72Å; R280-Y284 VanDerWaalsContact O-CD2 3.26Å; R280-Y284 WeakPolarHBondContact O-CD2 3.48Å; R280-Y284 WeakPolarHBondContact O-CE2 3.44Å; R280-P329 HydrophobicContact CG-CG 4.13Å | ||
| 281 | M | 87.8 | Confident | 83.7 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.044 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -65.6 | -42.8 | 177 | 169.6 | 162.8 | 177.6 | 0 | 0 | 112.8 | T283 Y284 A285 V304 V307 F327 V341 L363 L365 | M281-T283 PolarHBondContact O-N 3.03Å; M281-Y284 PolarHBondContact O-N 2.91Å; M281-A285 PolarHBondContact O-N 2.84Å; M281-V304 HydrophobicContact CE-CG1 3.85Å; M281-V304 HydrophobicContact CE-CG2 4.07Å; M281-V307 HydrophobicContact CE-CG2 3.38Å; M281-V307 HydrophobicContact SD-CG2 4.07Å; M281-F327 HydrophobicContact SD-CB 4.26Å; M281-F327 HydrophobicContact SD-CD2 4.12Å; M281-V341 HydrophobicContact CB-CG2 4.38Å; M281-L363 HydrophobicContact CE-CD1 3.72Å; M281-L363 HydrophobicContact CG-CD1 3.74Å; M281-L363 HydrophobicContact SD-CD1 4.14Å; M281-L365 HydrophobicContact CB-CD2 4.49Å; M281-L365 HydrophobicContact SD-CD1 4.37Å |
| 282 | D | 87.4 | Confident | 85 | Confident | 27 Ų | 27 | 40.1 Ų | 40.1 | 14% | 0.144 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.1 | -30.7 | -177.1 | 68.2 | -33 | 0 | 0 | 0 | 113.3 | R280 Y284 A285 N286 | R280-D282 WeakPolarHBondContact CB-OD1 3.43Å; R280-D282 IonicContact CZ-OD1 3.71Å; R280-D282 IonicContact CZ-OD2 3.21Å; R280-D282 IonicContact NE-OD1 3.65Å; R280-D282 PolarHBondContact NE-OD1 3.46Å; R280-D282 IonicContact NE-OD2 2.96Å; R280-D282 PolarHBondContact NE-OD2 2.82Å; R280-D282 IonicContact NH2-OD1 3.24Å; R280-D282 IonicContact NH2-OD2 2.63Å; R280-D282 PolarHBondContact NH2-OD2 2.72Å; D282-Y284 PolarHBondContact O-N 3.45Å; D282-A285 PolarHBondContact O-N 3.39Å; D282-N286 VanDerWaalsContact O-CB 3.3Å; D282-N286 WeakPolarHBondContact O-CB 3.45Å; D282-N286 PolarHBondContact O-N 2.76Å |
| 283 | T | 88.4 | Confident | 86 | Confident | 55 Ų | 55 | 40.6 Ų | 40.6 | 34% | 0.337 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.8 | -29.4 | 177.1 | -60.9 | 0 | 0 | 0 | 0 | 112 | Q277 M281 | Q277-T283 HydrophobicContact CB-CG2 4.49Å; Q277-T283 WeakPolarHBondContact O-CB 3.39Å; Q277-T283 PolarHBondContact O-OG1 3.4Å; M281-T283 PolarHBondContact O-N 3.03Å |
| 284 | Y | 90.3 | Very high | 86.2 | Confident | 8 Ų | 8 | 44.1 Ų | 44.1 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -102.1 | -26.2 | -179.7 | -57 | -72.1 | 0 | 0 | 0 | 112.9 | P239 A278 R280 M281 D282 V341 A344 Y346 F381 | P239-Y284 HydrophobicContact CG-CE1 4.06Å; A278-Y284 WeakPolarHBondContact O-CE2 3.14Å; A278-Y284 PolarHBondContact O-OH 2.85Å; R280-Y284 VanDerWaalsContact O-CD2 3.26Å; R280-Y284 WeakPolarHBondContact O-CD2 3.48Å; R280-Y284 WeakPolarHBondContact O-CE2 3.44Å; M281-Y284 PolarHBondContact O-N 2.91Å; D282-Y284 PolarHBondContact O-N 3.45Å; Y284-V341 HydrophobicContact CD2-CB 4.22Å; Y284-V341 HydrophobicContact CD2-CG1 3.97Å; Y284-V341 HydrophobicContact CD2-CG2 3.92Å; Y284-V341 HydrophobicContact CE2-CB 4.02Å; Y284-V341 HydrophobicContact CE2-CG1 3.95Å; Y284-V341 HydrophobicContact CE2-CG2 4.1Å; Y284-A344 HydrophobicContact CG-CB 4.47Å; Y284-Y346 WeakPolarHBondContact CA-OH 3.35Å; Y284-Y346 VanDerWaalsContact CB-OH 3.25Å; Y284-Y346 WeakPolarHBondContact CB-OH 3.4Å; Y284-Y346 WeakPolarHBondContact O-CE1 3.44Å; Y284-Y346 PolarHBondContact O-OH 2.83Å; Y284-F381 HydrophobicContact CD1-CD1 4.43Å; Y284-F381 AromaticContact CD1-CE1 3.99Å; Y284-F381 HydrophobicContact CD1-CE1 3.99Å; Y284-F381 HydrophobicContact CE1-CD1 4.04Å; Y284-F381 AromaticContact CE1-CE1 3.3Å; Y284-F381 HydrophobicContact CE1-CE1 3.3Å; Y284-F381 HydrophobicContact CE1-CZ 4.02Å; Y284-F381 HydrophobicContact CE2-CE1 4.3Å; Y284-F381 AromaticContact CZ-CE1 3.48Å; Y284-F381 VanDerWaalsContact CZ-CE1 3.48Å; Y284-F381 AromaticContact CZ-CZ 3.87Å; Y284-F381 WeakPolarHBondContact OH-CZ 3.45Å |
| 285 | A | 88.6 | Confident | 85.9 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -84.4 | -41 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M281 D282 V287 V304 | M281-A285 PolarHBondContact O-N 2.84Å; D282-A285 PolarHBondContact O-N 3.39Å; A285-V287 PolarHBondContact O-N 2.98Å; A285-V304 HydrophobicContact CB-CG2 3.66Å |
| 286 | N | 88.2 | Confident | 85.9 | Confident | 120 Ų | 120 | 49.9 Ų | 49.9 | 64% | 0.642 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -83.9 | 47.2 | -175.7 | -68.6 | -19.2 | 0 | 0 | 0 | 112.6 | D282 | D282-N286 VanDerWaalsContact O-CB 3.3Å; D282-N286 WeakPolarHBondContact O-CB 3.45Å; D282-N286 PolarHBondContact O-N 2.76Å |
| 287 | V | 90.2 | Very high | 86 | Confident | 19 Ų | 19 | 48.9 Ų | 48.9 | 12% | 0.115 | 26% | 0.262 | C | S | . | . | trans | -98.2 | 132.7 | 177.1 | 178.9 | 0 | 0 | 0 | 0 | 109.1 | T226 F236 A285 L289 V302 | T226-V287 HydrophobicContact CG2-CG1 3.97Å; F236-V287 HydrophobicContact CD2-CG1 3.8Å; F236-V287 HydrophobicContact CE2-CB 4.49Å; F236-V287 HydrophobicContact CE2-CG1 3.71Å; F236-V287 HydrophobicContact CE2-CG2 4.17Å; A285-V287 PolarHBondContact O-N 2.98Å; V287-L289 HydrophobicContact CG1-CD2 4.09Å; V287-L289 HydrophobicContact CG1-CG 4.28Å; V287-V302 HydrophobicContact CB-CB 4.32Å; V287-V302 HydrophobicContact CB-CG2 3.83Å; V287-V302 HydrophobicContact CG1-CG2 4.07Å; V287-V302 WeakPolarHBondContact O-CG2 3.49Å; V287-V302 PolarHBondContact O-N 2.9Å | ||
| 288 | Q | 91.9 | Very high | 86.2 | Confident | 88 Ų | 88 | 45.4 Ų | 45.4 | 41% | 0.411 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 107.9 | 175 | -70.4 | -175.3 | 34.9 | 0 | 0 | 108.7 | T226 A227 V299 | T226-Q288 CarbonylContact C-O 3.57Å; T226-Q288 WeakPolarHBondContact CA-O 3.34Å; T226-Q288 WeakPolarHBondContact CB-O 3.38Å; A227-Q288 HydrophobicContact CB-CB 4.2Å; A227-Q288 PolarHBondContact N-O 3.29Å; Q288-V299 HydrophobicContact CB-CG1 3.66Å; Q288-V299 HydrophobicContact CG-CG1 4.1Å |
| 289 | L | 92.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 153 | 178.4 | -64.4 | 173 | 0 | 0 | 0 | 110.5 | T226 F236 V287 V299 V300 V302 I348 L356 A359 | T226-L289 HydrophobicContact CG2-CD2 4.06Å; F236-L289 HydrophobicContact CB-CD2 3.93Å; F236-L289 HydrophobicContact CD1-CD2 3.77Å; F236-L289 HydrophobicContact CD2-CD2 4.17Å; F236-L289 HydrophobicContact CE1-CD2 4.37Å; F236-L289 HydrophobicContact CG-CD2 3.69Å; V287-L289 HydrophobicContact CG1-CD2 4.09Å; V287-L289 HydrophobicContact CG1-CG 4.28Å; L289-V299 CarbonylContact O-C 3.47Å; L289-V299 WeakPolarHBondContact O-CA 3.29Å; L289-V300 HydrophobicContact CB-CB 4.43Å; L289-V300 PolarHBondContact N-O 3.4Å; L289-V300 PolarHBondContact O-N 2.84Å; L289-V302 HydrophobicContact CD1-CG2 4.08Å; L289-V302 HydrophobicContact CG-CG2 4.19Å; L289-I348 HydrophobicContact CD1-CD1 3.97Å; L289-I348 HydrophobicContact CD1-CG1 4.33Å; L289-L356 HydrophobicContact CB-CD1 4.26Å; L289-L356 HydrophobicContact CD1-CD1 4.4Å; L289-A359 HydrophobicContact CD1-CB 3.66Å |
| 290 | L | 92.6 | Very high | 86.8 | Confident | 10 Ų | 10 | 48.9 Ų | 48.9 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 133.5 | 169.6 | -67.1 | 178.9 | 0 | 0 | 0 | 110 | Y218 A225 A227 K233 G292 A297 V299 L356 | Y218-L290 WeakPolarHBondContact CE2-O 3.47Å; Y218-L290 PolarHBondContact OH-O 2.82Å; Y218-L290 VanDerWaalsContact OH-O 3.06Å; A225-L290 HydrophobicContact CB-CB 4.31Å; A225-L290 HydrophobicContact CB-CD1 3.83Å; A225-L290 HydrophobicContact CB-CG 4.37Å; A225-L290 PolarHBondContact O-N 3.32Å; A227-L290 HydrophobicContact CB-CD2 3.92Å; K233-L290 HydrophobicContact CD-CD1 3.92Å; K233-L290 HydrophobicContact CG-CD1 3.88Å; L290-G292 PolarHBondContact O-N 2.91Å; L290-A297 HydrophobicContact CB-CB 4.36Å; L290-V299 HydrophobicContact CD2-CG2 4.14Å; L290-L356 WeakPolarHBondContact O-CD1 3.48Å |
| 291 | A | 91.3 | Very high | 87 | Confident | 12 Ų | 12 | 49 Ų | 49 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -63.1 | -25.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A298 V300 E355 L356 | A291-A298 HydrophobicContact CB-CB 4.19Å; A291-A298 VanDerWaalsContact CB-O 3.25Å; A291-A298 WeakPolarHBondContact CB-O 3.35Å; A291-A298 PolarHBondContact N-O 3.34Å; A291-V300 HydrophobicContact CB-CG2 3.83Å; A291-E355 CarbonylContact O-C 3.56Å; A291-E355 WeakPolarHBondContact O-CA 3.23Å; A291-L356 PolarHBondContact O-N 3.48Å |
| 292 | G | 88.8 | Confident | 87.2 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.031 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -159.1 | -174.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S216 L290 A297 | S216-G292 CarbonylContact O-C 3.6Å; S216-G292 VanDerWaalsContact O-CA 3.31Å; S216-G292 WeakPolarHBondContact O-CA 3.5Å; L290-G292 PolarHBondContact O-N 2.91Å; G292-A297 VanDerWaalsContact O-CB 3.3Å; G292-A297 WeakPolarHBondContact O-CB 3.45Å |
| 293 | R | 85.1 | Confident | 87.3 | Confident | 113 Ų | 113 | 51.7 Ų | 51.7 | 43% | 0.426 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -82.8 | -21.3 | -174.6 | -61.6 | -176.4 | -9.3 | 179.5 | 1 | 113.3 | S216 Y218 D222 K233 | S216-R293 PolarHBondContact O-N 3.41Å; Y218-R293 HydrophobicContact CD1-CG 3.84Å; Y218-R293 HydrophobicContact CE1-CG 4.04Å; Y218-R293 HydrophobicContact CG-CG 4.37Å; D222-R293 IonicContact OD1-NH1 3.99Å; D222-R293 WeakPolarHBondContact OD2-CD 3.38Å; D222-R293 IonicContact OD2-CZ 3.94Å; D222-R293 IonicContact OD2-NE 3.51Å; D222-R293 IonicContact OD2-NH1 3Å; D222-R293 PolarHBondContact OD2-NH1 3.15Å; K233-R293 PolarHBondContact NZ-O 2.87Å |
| 294 | N | 79.1 | Confident | 87.1 | Confident | 75 Ų | 75 | 51.6 Ų | 51.6 | 40% | 0.401 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -64 | 154.8 | -173.1 | -66.8 | -6.9 | 0 | 0 | 0 | 112.7 | S216 K233 D296 A297 | S216-N294 WeakPolarHBondContact CB-ND2 3.3Å; K233-N294 VanDerWaalsContact NZ-C 3.32Å; K233-N294 PolarHBondContact NZ-O 3.37Å; N294-D296 PolarHBondContact O-N 2.88Å; N294-A297 WeakPolarHBondContact O-CB 3.36Å; N294-A297 PolarHBondContact O-N 3.44Å |
| 295 | A | 67.3 | Low | 86.6 | Confident | 82 Ų | 82 | 54.2 Ų | 54.2 | 68% | 0.678 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -38.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 296 | D | 74.7 | Confident | 86.3 | Confident | 159 Ų | 159 | 54.9 Ų | 54.9 | 85% | 0.85 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 21 | -177 | -48.2 | -47.7 | 0 | 0 | 0 | 113.3 | N294 A298 | N294-D296 PolarHBondContact O-N 2.88Å; D296-A298 PolarHBondContact O-N 3.05Å |
| 297 | A | 81.4 | Confident | 86 | Confident | 20 Ų | 20 | 49.1 Ų | 49.1 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 132.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L290 G292 N294 | L290-A297 HydrophobicContact CB-CB 4.36Å; G292-A297 VanDerWaalsContact O-CB 3.3Å; G292-A297 WeakPolarHBondContact O-CB 3.45Å; N294-A297 WeakPolarHBondContact O-CB 3.36Å; N294-A297 PolarHBondContact O-N 3.44Å |
| 298 | A | 87.3 | Confident | 85.6 | Confident | 67 Ų | 67 | 50.2 Ų | 50.2 | 55% | 0.554 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 149.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A291 D296 | A291-A298 HydrophobicContact CB-CB 4.19Å; A291-A298 VanDerWaalsContact CB-O 3.25Å; A291-A298 WeakPolarHBondContact CB-O 3.35Å; A291-A298 PolarHBondContact N-O 3.34Å; D296-A298 PolarHBondContact O-N 3.05Å |
| 299 | V | 90 | Very high | 85.1 | Confident | 71 Ų | 71 | 48.7 Ų | 48.7 | 43% | 0.43 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 129.9 | 175.3 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | A227 Q288 L289 L290 | A227-V299 HydrophobicContact CB-CG1 4.31Å; A227-V299 HydrophobicContact CB-CG2 3.93Å; Q288-V299 HydrophobicContact CB-CG1 3.66Å; Q288-V299 HydrophobicContact CG-CG1 4.1Å; L289-V299 CarbonylContact O-C 3.47Å; L289-V299 WeakPolarHBondContact O-CA 3.29Å; L290-V299 HydrophobicContact CD2-CG2 4.14Å |
| 300 | V | 92.1 | Very high | 84.5 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 102.4 | 174.5 | -176.2 | 0 | 0 | 0 | 0 | 107.7 | L289 A291 L356 A359 | L289-V300 HydrophobicContact CB-CB 4.43Å; L289-V300 PolarHBondContact N-O 3.4Å; L289-V300 PolarHBondContact O-N 2.84Å; A291-V300 HydrophobicContact CB-CG2 3.83Å; V300-L356 HydrophobicContact CG2-CB 4.32Å; V300-A359 HydrophobicContact CG1-CB 4.36Å |
| 301 | P | 91.4 | Very high | 83.7 | Confident | 72 Ų | 72 | 53.6 Ų | 53.6 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 148.3 | 174.9 | 29.4 | -33.7 | 0 | 0 | 0 | 110.3 | ||
| 302 | V | 92.4 | Very high | 82.8 | Confident | 11 Ų | 11 | 59 Ų | 59 | 7% | 0.067 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 116.1 | 172.2 | 178.5 | 0 | 0 | 0 | 0 | 109.3 | V287 L289 Y346 A359 V361 | V287-V302 HydrophobicContact CB-CB 4.32Å; V287-V302 HydrophobicContact CB-CG2 3.83Å; V287-V302 HydrophobicContact CG1-CG2 4.07Å; V287-V302 WeakPolarHBondContact O-CG2 3.49Å; V287-V302 PolarHBondContact O-N 2.9Å; L289-V302 HydrophobicContact CD1-CG2 4.08Å; L289-V302 HydrophobicContact CG-CG2 4.19Å; V302-Y346 HydrophobicContact CG1-CD1 4.1Å; V302-Y346 HydrophobicContact CG1-CE1 3.98Å; V302-A359 CarbonylContact C-O 3.55Å; V302-A359 WeakPolarHBondContact CA-O 3.46Å; V302-A359 HydrophobicContact CG2-CB 3.91Å; V302-V361 HydrophobicContact CG1-CB 3.75Å; V302-V361 HydrophobicContact CG1-CG1 3.74Å |
| 303 | D | 88.7 | Confident | 81.8 | Confident | 81 Ų | 81 | 68.6 Ų | 68.6 | 43% | 0.433 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 141 | 178.3 | -63.3 | -41.8 | 0 | 0 | 0 | 111.1 | A305 A359 S360 V361 | D303-A305 PolarHBondContact O-N 3.07Å; D303-A359 PolarHBondContact N-O 2.82Å; D303-S360 CarbonylContact O-C 3.58Å; D303-S360 WeakPolarHBondContact O-CA 3.49Å; D303-V361 PolarHBondContact O-N 3.38Å |
| 304 | V | 85.9 | Confident | 81.1 | Confident | 53 Ų | 53 | 65 Ų | 65 | 32% | 0.321 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 111.2 | 174.3 | -179.5 | 0 | 0 | 0 | 0 | 109.1 | M281 A285 V307 V361 | M281-V304 HydrophobicContact CE-CG1 3.85Å; M281-V304 HydrophobicContact CE-CG2 4.07Å; A285-V304 HydrophobicContact CB-CG2 3.66Å; V304-V307 HydrophobicContact CG1-CG2 3.71Å; V304-V361 HydrophobicContact CG2-CG1 4.24Å |
| 305 | A | 79.9 | Confident | 80.7 | Confident | 63 Ų | 63 | 64.3 Ų | 64.3 | 52% | 0.521 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -42.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | D303 V361 | D303-A305 PolarHBondContact O-N 3.07Å; A305-V361 PolarHBondContact N-O 3.25Å |
| 306 | S | 81.4 | Confident | 81.2 | Confident | 21 Ų | 21 | 66 Ų | 66 | 15% | 0.147 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 145.6 | -177.2 | 65.6 | 0 | 0 | 0 | 0 | 111.4 | S362 L363 | S306-S362 WeakPolarHBondContact O-CA 3.38Å; S306-S362 VanDerWaalsContact OG-CB 3.29Å; S306-S362 WeakPolarHBondContact OG-CB 3.44Å; S306-S362 PolarHBondContact OG-OG 2.83Å; S306-L363 PolarHBondContact O-N 2.54Å |
| 307 | V | 82 | Confident | 81 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 124.1 | 172.3 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | M281 V304 L319 V321 L363 L365 | M281-V307 HydrophobicContact CE-CG2 3.38Å; M281-V307 HydrophobicContact SD-CG2 4.07Å; V304-V307 HydrophobicContact CG1-CG2 3.71Å; V307-L319 HydrophobicContact CG1-CD1 4.09Å; V307-L319 PolarHBondContact O-N 2.8Å; V307-V321 HydrophobicContact CB-CG2 3.69Å; V307-V321 HydrophobicContact CG2-CG2 3.49Å; V307-V321 VanDerWaalsContact CG2-CG2 3.49Å; V307-L363 WeakPolarHBondContact CA-O 3.38Å; V307-L365 HydrophobicContact CG1-CD1 3.63Å; V307-L365 HydrophobicContact CG1-CG 3.85Å |
| 308 | I | 80.9 | Confident | 80.8 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 126.6 | -178.8 | -59.8 | 174.7 | 0 | 0 | 0 | 109.1 | Q316 T317 L363 V364 L365 | I308-Q316 HydrophobicContact CG2-CB 3.7Å; I308-Q316 HydrophobicContact CG2-CG 3.93Å; I308-T317 CarbonylContact C-O 3.52Å; I308-T317 WeakPolarHBondContact CA-O 3.47Å; I308-L363 PolarHBondContact N-O 3.05Å; I308-V364 HydrophobicContact CB-CG2 4.36Å; I308-V364 CarbonylContact O-C 3.53Å; I308-V364 WeakPolarHBondContact O-CA 3.42Å; I308-L365 PolarHBondContact O-N 3.49Å |
| 309 | L | 81.4 | Confident | 80 | Confident | 55 Ų | 55 | 67.5 Ų | 67.5 | 29% | 0.288 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 125.5 | 168.3 | -65.8 | -179 | 0 | 0 | 0 | 110.2 | Q316 T317 L319 L365 | L309-Q316 CarbonylContact O-C 3.58Å; L309-Q316 VanDerWaalsContact O-CA 3.31Å; L309-Q316 WeakPolarHBondContact O-CA 3.1Å; L309-T317 PolarHBondContact N-O 3.42Å; L309-T317 PolarHBondContact O-N 2.03Å; L309-L319 HydrophobicContact CD1-CD1 3.79Å; L309-L319 HydrophobicContact CD1-CD2 3.79Å; L309-L319 HydrophobicContact CD1-CG 3.92Å; L309-L319 HydrophobicContact CD2-CD1 3.77Å; L309-L319 HydrophobicContact CG-CD1 3.53Å; L309-L319 HydrophobicContact CG-CD2 4.25Å; L309-L319 HydrophobicContact CG-CG 3.8Å; L309-L365 CarbonylContact C-O 3.54Å; L309-L365 WeakPolarHBondContact CA-O 3.08Å; L309-L365 HydrophobicContact CD2-CB 3.96Å; L309-L365 HydrophobicContact CD2-CD1 4.25Å |
| 310 | Q | 81.3 | Confident | 78.6 | Confident | 61 Ų | 61 | 70.5 Ų | 70.5 | 29% | 0.285 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122 | 176.1 | -176.4 | 171.3 | -36.8 | 0 | 0 | 110.9 | A315 Q316 L342 V364 L365 G366 | Q310-A315 WeakPolarHBondContact CA-O 3.44Å; Q310-Q316 HydrophobicContact CB-CG 4.39Å; Q310-Q316 HydrophobicContact CG-CG 4.33Å; Q310-L342 HydrophobicContact CB-CD1 4.46Å; Q310-V364 HydrophobicContact CB-CG1 3.77Å; Q310-L365 PolarHBondContact N-O 3.36Å; Q310-G366 WeakPolarHBondContact O-CA 3.33Å |
| 311 | S | 75.6 | Confident | 76.9 | Confident | 52 Ų | 52 | 72.4 Ų | 72.4 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | trans | -74 | 166.1 | 173.5 | 73.4 | 0 | 0 | 0 | 0 | 112.4 | K313 G314 A315 | S311-K313 PolarHBondContact O-N 2.89Å; S311-K313 VanDerWaalsContact O-N 3.13Å; S311-K313 PolarHBondContact OG-N 2.86Å; S311-G314 PolarHBondContact O-N 2.82Å; S311-G314 PolarHBondContact OG-N 3.02Å; S311-A315 PolarHBondContact N-O 2.84Å; S311-A315 WeakPolarHBondContact OG-CB 3.38Å; S311-A315 PolarHBondContact OG-N 2.91Å; S311-A315 PolarHBondContact OG-O 3.11Å | ||
| 312 | I | 71.7 | Confident | 75.2 | Confident | 126 Ų | 126 | 72.6 Ų | 72.6 | 65% | 0.646 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -30.6 | 175.2 | -51.6 | 172.3 | 0 | 0 | 0 | 111.9 | G314 F367 | I312-G314 VanDerWaalsContact C-N 3.33Å; I312-F367 HydrophobicContact CD1-CD1 3.44Å; I312-F367 VanDerWaalsContact CD1-CD1 3.44Å; I312-F367 HydrophobicContact CD1-CE1 3.64Å; I312-F367 HydrophobicContact CD1-CG 4.42Å; I312-F367 HydrophobicContact CG1-CB 4.29Å; I312-F367 HydrophobicContact CG1-CD1 3.53Å; I312-F367 HydrophobicContact CG1-CE1 4.26Å; I312-F367 HydrophobicContact CG1-CG 4.24Å |
| 313 | K | 69.2 | Low | 72.9 | Confident | 204 Ų | 204 | 80.6 Ų | 80.6 | 89% | 0.887 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 8.5 | 179.4 | -63.2 | -173.7 | 178 | -175.5 | 0 | 113.3 | S311 A315 | S311-K313 PolarHBondContact O-N 2.89Å; S311-K313 VanDerWaalsContact O-N 3.13Å; S311-K313 PolarHBondContact OG-N 2.86Å; K313-A315 VanDerWaalsContact C-N 3.34Å; K313-A315 PolarHBondContact O-N 2.74Å |
| 314 | G | 68.7 | Low | 71.1 | Confident | 37 Ų | 37 | 80.3 Ų | 80.3 | 38% | 0.381 | 48% | 0.475 | S | S | . | . | trans | 81.5 | 0.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | S311 I312 Q316 | S311-G314 PolarHBondContact O-N 2.82Å; S311-G314 PolarHBondContact OG-N 3.02Å; I312-G314 VanDerWaalsContact C-N 3.33Å; G314-Q316 PolarHBondContact O-N 2.87Å | ||
| 315 | A | 71.3 | Confident | 69.7 | Low | 62 Ų | 62 | 83.1 Ų | 83.1 | 51% | 0.512 | 48% | 0.484 | S | S | . | . | trans | -64.2 | 134.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q310 S311 K313 | Q310-A315 WeakPolarHBondContact CA-O 3.44Å; S311-A315 PolarHBondContact N-O 2.84Å; S311-A315 WeakPolarHBondContact OG-CB 3.38Å; S311-A315 PolarHBondContact OG-N 2.91Å; S311-A315 PolarHBondContact OG-O 3.11Å; K313-A315 VanDerWaalsContact C-N 3.34Å; K313-A315 PolarHBondContact O-N 2.74Å | ||
| 316 | Q | 76.9 | Confident | 68.8 | Low | 118 Ų | 118 | 85.1 Ų | 85.1 | 55% | 0.551 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.7 | -175.3 | -72.3 | -179.2 | -6.7 | 0 | 0 | 111 | I308 L309 Q310 G314 | I308-Q316 HydrophobicContact CG2-CB 3.7Å; I308-Q316 HydrophobicContact CG2-CG 3.93Å; L309-Q316 CarbonylContact O-C 3.58Å; L309-Q316 VanDerWaalsContact O-CA 3.31Å; L309-Q316 WeakPolarHBondContact O-CA 3.1Å; Q310-Q316 HydrophobicContact CB-CG 4.39Å; Q310-Q316 HydrophobicContact CG-CG 4.33Å; G314-Q316 PolarHBondContact O-N 2.87Å |
| 317 | T | 72.3 | Confident | 68.3 | Low | 90 Ų | 90 | 86.1 Ų | 86.1 | 55% | 0.552 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 126.9 | 175.1 | -54.9 | 0 | 0 | 0 | 0 | 109.1 | I308 L309 | I308-T317 CarbonylContact C-O 3.52Å; I308-T317 WeakPolarHBondContact CA-O 3.47Å; L309-T317 PolarHBondContact N-O 3.42Å; L309-T317 PolarHBondContact O-N 2.03Å |
| 318 | E | 75.5 | Confident | 68.1 | Low | 142 Ų | 142 | 89.9 Ų | 89.9 | 66% | 0.664 | 51% | 0.508 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 133.7 | 174.5 | -172.7 | 170.9 | -157.8 | 0 | 0 | 110.7 | ||
| 319 | L | 71.1 | Confident | 68.1 | Low | 44 Ų | 44 | 88.2 Ų | 88.2 | 23% | 0.23 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 134.9 | 174.2 | -71.8 | 172.7 | 0 | 0 | 0 | 110.1 | V307 L309 V321 F327 | V307-L319 HydrophobicContact CG1-CD1 4.09Å; V307-L319 PolarHBondContact O-N 2.8Å; L309-L319 HydrophobicContact CD1-CD1 3.79Å; L309-L319 HydrophobicContact CD1-CD2 3.79Å; L309-L319 HydrophobicContact CD1-CG 3.92Å; L309-L319 HydrophobicContact CD2-CD1 3.77Å; L309-L319 HydrophobicContact CG-CD1 3.53Å; L309-L319 HydrophobicContact CG-CD2 4.25Å; L309-L319 HydrophobicContact CG-CG 3.8Å; L319-V321 PolarHBondContact O-N 2.79Å; L319-F327 HydrophobicContact CD1-CE1 4.09Å; L319-F327 HydrophobicContact CD1-CE2 4.3Å; L319-F327 HydrophobicContact CD1-CZ 3.94Å |
| 320 | T | 60.3 | Low | 68.1 | Low | 135 Ų | 135 | 89.1 Ų | 89.1 | 83% | 0.828 | 51% | 0.507 | S | S | * | . | trans | -74.6 | 91.6 | 165.5 | 52 | 0 | 0 | 0 | 0 | 108.5 | S322 | T320-S322 PolarHBondContact O-N 2.74Š| ||
| 321 | V | 57.9 | Low | 67.8 | Low | 52 Ų | 52 | 92.7 Ų | 92.7 | 32% | 0.315 | 52% | 0.518 | S | S | . | . | trans | -69.1 | 118.3 | 176.6 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | V307 L319 | V307-V321 HydrophobicContact CB-CG2 3.69Å; V307-V321 HydrophobicContact CG2-CG2 3.49Å; V307-V321 VanDerWaalsContact CG2-CG2 3.49Å; L319-V321 PolarHBondContact O-N 2.79Å | ||
| 322 | S | 54.6 | Low | 67.5 | Low | 76 Ų | 76 | 92.1 Ų | 92.1 | 53% | 0.531 | 51% | 0.512 | S | S | . | . | trans | -85.9 | 141.2 | 163.7 | -60.3 | 0 | 0 | 0 | 0 | 108.1 | T320 G324 E325 | T320-S322 PolarHBondContact O-N 2.74Å; S322-G324 PolarHBondContact O-N 2.81Å; S322-E325 PolarHBondContact O-N 3.45Å | ||
| 323 | D | 45.1 | Very low | 67 | Low | 178 Ų | 178 | 93.7 Ų | 93.7 | 95% | 0.952 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | 113 | 179.3 | -74.6 | -27.4 | 0 | 0 | 0 | 110.8 | ||
| 324 | G | 50 | Low | 66.7 | Low | 75 Ų | 75 | 87 Ų | 87 | 77% | 0.773 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.8 | 8.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | S322 D326 | S322-G324 PolarHBondContact O-N 2.81Å; G324-D326 PolarHBondContact O-N 3.21Å |
| 325 | E | 57 | Low | 66.6 | Low | 112 Ų | 112 | 87.5 Ų | 87.5 | 52% | 0.523 | 51% | 0.505 | S | S | . | . | trans | -82.4 | 102.1 | 169.2 | -74.6 | -161.3 | 152.2 | 0 | 0 | 112.2 | S322 F327 | S322-E325 PolarHBondContact O-N 3.45Å; E325-F327 HydrophobicContact CB-CE2 4.12Å; E325-F327 HydrophobicContact CB-CZ 4.38Å; E325-F327 WeakPolarHBondContact O-CD2 3.46Å; E325-F327 PolarHBondContact O-N 3Å | ||
| 326 | D | 60.5 | Low | 66.8 | Low | 106 Ų | 106 | 84.6 Ų | 84.6 | 57% | 0.567 | 48% | 0.481 | S | S | * | . | trans | -76.2 | 107.3 | 172.5 | -81.6 | -27.3 | 0 | 0 | 0 | 111.3 | G324 L328 | G324-D326 PolarHBondContact O-N 3.21Å; D326-L328 PolarHBondContact O-N 3Å | ||
| 327 | F | 71.6 | Confident | 67 | Low | 42 Ų | 42 | 79 Ų | 79 | 18% | 0.184 | 46% | 0.455 | C | S | . | . | trans | -80.1 | 82.1 | 171.5 | -67.2 | -82.6 | 0 | 0 | 0 | 110.6 | M281 L319 E325 L365 | M281-F327 HydrophobicContact SD-CB 4.26Å; M281-F327 HydrophobicContact SD-CD2 4.12Å; L319-F327 HydrophobicContact CD1-CE1 4.09Å; L319-F327 HydrophobicContact CD1-CE2 4.3Å; L319-F327 HydrophobicContact CD1-CZ 3.94Å; E325-F327 HydrophobicContact CB-CE2 4.12Å; E325-F327 HydrophobicContact CB-CZ 4.38Å; E325-F327 WeakPolarHBondContact O-CD2 3.46Å; E325-F327 PolarHBondContact O-N 3Å; F327-L365 HydrophobicContact CB-CD1 3.88Å; F327-L365 HydrophobicContact CG-CD1 4.29Å | ||
| 328 | L | 77.3 | Confident | 67.6 | Low | 79 Ų | 79 | 75.5 Ų | 75.5 | 41% | 0.414 | 44% | 0.435 | S | S | . | . | trans | -69 | 141.6 | 174 | -68.4 | 173 | 0 | 0 | 0 | 111.1 | D326 V330 | D326-L328 PolarHBondContact O-N 3Å; L328-V330 PolarHBondContact O-N 2.98Å | ||
| 329 | P | 81.6 | Confident | 68.1 | Low | 6 Ų | 6 | 70.5 Ų | 70.5 | 4% | 0.039 | 41% | 0.413 | C | S | . | . | trans | -58.2 | 120.8 | 172.5 | -24.7 | 33.9 | 0 | 0 | 0 | 110.8 | C273 L279 R280 A338 M340 | C273-P329 HydrophobicContact CB-CB 3.89Å; L279-P329 HydrophobicContact CB-CG 4.21Å; R280-P329 HydrophobicContact CG-CG 4.13Å; P329-A338 VanDerWaalsContact CA-O 3.3Å; P329-A338 WeakPolarHBondContact CA-O 3.44Å; P329-M340 HydrophobicContact CB-CG 4.2Å | ||
| 330 | V | 80.2 | Confident | 68.9 | Low | 75 Ų | 75 | 68.4 Ų | 68.4 | 46% | 0.455 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.1 | -175.8 | 68.8 | 0 | 0 | 0 | 0 | 110.9 | L328 A338 | L328-V330 PolarHBondContact O-N 2.98Å; V330-A338 HydrophobicContact CG1-CB 4.04Å; V330-A338 PolarHBondContact N-O 2.7Å; V330-A338 VanDerWaalsContact N-O 3.09Å; V330-A338 PolarHBondContact O-N 3.06Å |
| 331 | R | 74.9 | Confident | 70.3 | Confident | 135 Ų | 135 | 62 Ų | 62 | 51% | 0.509 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 126.1 | 174 | -162.8 | 170.9 | -173.3 | 172.3 | 0.7 | 109.7 | G271 | G271-R331 WeakPolarHBondContact O-CD 3.41Å; G271-R331 PolarHBondContact O-NH1 3.4Å |
| 332 | T | 69.7 | Low | 71.8 | Confident | 40 Ų | 40 | 61 Ų | 61 | 25% | 0.245 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 157.5 | 177.2 | 57.9 | 0 | 0 | 0 | 0 | 111.6 | S334 S335 G336 A338 F367 | T332-S334 PolarHBondContact O-N 2.62Å; T332-S335 PolarHBondContact O-N 2.82Å; T332-G336 PolarHBondContact N-O 3.46Å; T332-G336 PolarHBondContact OG1-O 3.46Å; T332-A338 HydrophobicContact CG2-CB 3.86Å; T332-F367 HydrophobicContact CG2-CE2 3.87Å; T332-F367 VanDerWaalsContact OG1-CE2 3.24Å; T332-F367 WeakPolarHBondContact OG1-CE2 3.42Å |
| 333 | T | 62.2 | Low | 73.6 | Confident | 160 Ų | 160 | 60.1 Ų | 60.1 | 98% | 0.982 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -16.3 | -177.1 | 52.1 | 0 | 0 | 0 | 0 | 114.6 | ||
| 334 | S | 61.2 | Low | 75.8 | Confident | 64 Ų | 64 | 51.7 Ų | 51.7 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 21.3 | -177 | 60 | 0 | 0 | 0 | 0 | 114.5 | T332 G336 | T332-S334 PolarHBondContact O-N 2.62Å; S334-G336 VanDerWaalsContact C-N 3.32Å; S334-G336 PolarHBondContact O-N 3.43Å |
| 335 | S | 66.8 | Low | 77.8 | Confident | 47 Ų | 47 | 49.3 Ų | 49.3 | 33% | 0.329 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 32.6 | -174.6 | 69.8 | 0 | 0 | 0 | 0 | 114.1 | T332 T370 | T332-S335 PolarHBondContact O-N 2.82Å; S335-T370 WeakPolarHBondContact O-CB 3.49Å; S335-T370 WeakPolarHBondContact O-CG2 3.28Å; S335-T370 PolarHBondContact O-N 2.89Å; S335-T370 VanDerWaalsContact O-N 3.13Å; S335-T370 PolarHBondContact O-OG1 2.82Å |
| 336 | G | 75.4 | Confident | 79.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 156.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T332 S334 V368 | T332-G336 PolarHBondContact N-O 3.46Å; T332-G336 PolarHBondContact OG1-O 3.46Å; S334-G336 VanDerWaalsContact C-N 3.32Å; S334-G336 PolarHBondContact O-N 3.43Å; G336-V368 CarbonylContact C-O 3.5Å; G336-V368 WeakPolarHBondContact CA-O 2.91Å |
| 337 | C | 82.1 | Confident | 81 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.014 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 133 | 169 | -64.6 | 0 | 0 | 0 | 0 | 108.6 | C273 M340 F367 V368 | C273-C337 HydrophobicContact CB-CB 3.73Å; C273-C337 WeakPolarHBondContact CB-SG 3.49Å; C273-C337 WeakPolarHBondContact SG-CB 3.26Å; C273-C337 CovalentContact SG-SG 2.03Å; C273-C337 PolarHBondContact SG-SG 3.21Å; C337-M340 HydrophobicContact CB-CE 3.66Å; C337-M340 HydrophobicContact CB-CG 4.11Å; C337-M340 HydrophobicContact CB-SD 3.32Å; C337-M340 WeakPolarHBondContact CB-SD 3.25Å; C337-M340 WeakPolarHBondContact O-CE 3.39Å; C337-F367 WeakPolarHBondContact O-CA 3.4Å; C337-F367 WeakPolarHBondContact O-CD2 3.35Å; C337-V368 PolarHBondContact N-O 2.97Å; C337-V368 PolarHBondContact O-N 3.41Å |
| 338 | A | 84.7 | Confident | 82 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 12% | 0.124 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 165.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | P329 V330 T332 M340 F367 | P329-A338 VanDerWaalsContact CA-O 3.3Å; P329-A338 WeakPolarHBondContact CA-O 3.44Å; V330-A338 HydrophobicContact CG1-CB 4.04Å; V330-A338 PolarHBondContact N-O 2.7Å; V330-A338 VanDerWaalsContact N-O 3.09Å; V330-A338 PolarHBondContact O-N 3.06Å; T332-A338 HydrophobicContact CG2-CB 3.86Å; A338-M340 VanDerWaalsContact C-N 3.31Å; A338-M340 PolarHBondContact O-N 2.91Å; A338-F367 HydrophobicContact CB-CD2 3.88Å; A338-F367 HydrophobicContact CB-CE2 4.47Å |
| 339 | N | 86.4 | Confident | 82.7 | Confident | 38 Ų | 38 | 38.1 Ų | 38.1 | 20% | 0.203 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 60.7 | 33.3 | 177.1 | -54.1 | -18 | 0 | 0 | 0 | 114.2 | L365 G366 | N339-L365 HydrophobicContact CB-CD1 4.49Å; N339-G366 PolarHBondContact N-O 3.15Å |
| 340 | M | 87.2 | Confident | 83 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 139.6 | 175.3 | -63.7 | 168.6 | -65 | 0 | 0 | 110.7 | L279 P329 C337 A338 L342 L365 G366 V368 L377 | L279-M340 HydrophobicContact CB-CB 4.42Å; L279-M340 HydrophobicContact CB-CG 4.24Å; L279-M340 HydrophobicContact CD1-CG 4.26Å; L279-M340 HydrophobicContact CD1-SD 4.07Å; P329-M340 HydrophobicContact CB-CG 4.2Å; C337-M340 HydrophobicContact CB-CE 3.66Å; C337-M340 HydrophobicContact CB-CG 4.11Å; C337-M340 HydrophobicContact CB-SD 3.32Å; C337-M340 WeakPolarHBondContact CB-SD 3.25Å; C337-M340 WeakPolarHBondContact O-CE 3.39Å; A338-M340 VanDerWaalsContact C-N 3.31Å; A338-M340 PolarHBondContact O-N 2.91Å; M340-L342 PolarHBondContact O-N 3Å; M340-L365 CarbonylContact O-C 3.57Å; M340-L365 WeakPolarHBondContact O-CA 3.45Å; M340-G366 PolarHBondContact N-O 3.33Å; M340-G366 VanDerWaalsContact N-O 3.16Å; M340-G366 PolarHBondContact O-N 2.76Å; M340-V368 HydrophobicContact CE-CB 3.46Å; M340-V368 VanDerWaalsContact CE-CB 3.46Å; M340-V368 HydrophobicContact CE-CG2 3.37Å; M340-V368 VanDerWaalsContact CE-N 3.26Å; M340-V368 HydrophobicContact SD-CB 4.44Å; M340-V368 HydrophobicContact SD-CG2 4.39Å; M340-L377 HydrophobicContact CB-CD2 4.48Å; M340-L377 HydrophobicContact SD-CD2 4.43Å |
| 341 | V | 90.2 | Very high | 83.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 116.4 | 175.6 | -179.6 | 0 | 0 | 0 | 0 | 110.3 | L279 M281 Y284 A344 L363 L365 Q379 | L279-V341 PolarHBondContact O-N 2.82Å; L279-V341 VanDerWaalsContact O-N 3.08Å; M281-V341 HydrophobicContact CB-CG2 4.38Å; Y284-V341 HydrophobicContact CD2-CB 4.22Å; Y284-V341 HydrophobicContact CD2-CG1 3.97Å; Y284-V341 HydrophobicContact CD2-CG2 3.92Å; Y284-V341 HydrophobicContact CE2-CB 4.02Å; Y284-V341 HydrophobicContact CE2-CG1 3.95Å; Y284-V341 HydrophobicContact CE2-CG2 4.1Å; V341-A344 HydrophobicContact CG1-CB 4.45Å; V341-L363 HydrophobicContact CG1-CD2 3.92Å; V341-L363 HydrophobicContact CG2-CD2 4.32Å; V341-L365 HydrophobicContact CB-CD2 4.4Å; V341-L365 HydrophobicContact CG2-CD2 3.68Å; V341-Q379 PolarHBondContact O-NE2 2.83Å |
| 342 | L | 89.4 | Confident | 83.7 | Confident | 31 Ų | 31 | 41.3 Ų | 41.3 | 16% | 0.162 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -35.5 | 171 | -61.6 | -173.7 | 0 | 0 | 0 | 111.6 | Q310 M340 V364 L377 Q379 E380 | Q310-L342 HydrophobicContact CB-CD1 4.46Å; M340-L342 PolarHBondContact O-N 3Å; L342-V364 PolarHBondContact N-O 3.36Å; L342-L377 HydrophobicContact CD2-CD1 3.5Å; L342-L377 VanDerWaalsContact CD2-CD1 3.5Å; L342-L377 HydrophobicContact CD2-CD2 4.19Å; L342-L377 HydrophobicContact CD2-CG 4.22Å; L342-Q379 CarbonylContact O-C 3.51Å; L342-Q379 VanDerWaalsContact O-CA 3.26Å; L342-Q379 WeakPolarHBondContact O-CA 3.12Å; L342-E380 PolarHBondContact O-N 3Å |
| 343 | K | 91.3 | Very high | 84.3 | Confident | 58 Ų | 58 | 41.9 Ų | 41.9 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 138.7 | -178.7 | 178.1 | 169.8 | 174.9 | 156.4 | 0 | 111.3 | V345 L363 V364 E380 | K343-V345 HydrophobicContact CD-CG2 4.22Å; K343-V345 HydrophobicContact CG-CG2 4.04Å; K343-L363 CarbonylContact O-C 3.52Å; K343-L363 WeakPolarHBondContact O-CA 3.28Å; K343-V364 HydrophobicContact CB-CB 4Å; K343-V364 HydrophobicContact CB-CG2 4.02Å; K343-V364 PolarHBondContact N-O 2.93Å; K343-V364 PolarHBondContact O-N 3.17Å; K343-E380 CarbonylContact C-O 3.54Å; K343-E380 WeakPolarHBondContact CA-O 3.34Å; K343-E380 HydrophobicContact CB-CB 4.36Å; K343-E380 HydrophobicContact CD-CB 4.39Å; K343-E380 HydrophobicContact CD-CG 4.39Å; K343-E380 WeakPolarHBondContact CE-OE1 3.17Å; K343-E380 HydrophobicContact CG-CB 4.19Å; K343-E380 HydrophobicContact CG-CG 4.5Å; K343-E380 IonicContact NZ-OE1 2.74Å; K343-E380 PolarHBondContact NZ-OE1 2.85Å |
| 344 | A | 92.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y284 V341 Y346 V361 L363 E380 F381 Q382 | Y284-A344 HydrophobicContact CG-CB 4.47Å; V341-A344 HydrophobicContact CG1-CB 4.45Å; A344-Y346 HydrophobicContact CB-CE2 4.18Å; A344-V361 HydrophobicContact CB-CG2 4.33Å; A344-L363 HydrophobicContact CB-CD2 3.64Å; A344-E380 PolarHBondContact N-O 2.94Å; A344-F381 HydrophobicContact CB-CD1 3.93Å; A344-F381 HydrophobicContact CB-CE1 4.24Å; A344-F381 WeakPolarHBondContact O-CA 3.48Å; A344-Q382 PolarHBondContact O-N 3.39Å |
| 345 | V | 92.1 | Very high | 86.8 | Confident | 25 Ų | 25 | 34.4 Ų | 34.4 | 15% | 0.152 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 112.5 | -179.7 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | K343 V361 S362 Q382 I384 | K343-V345 HydrophobicContact CD-CG2 4.22Å; K343-V345 HydrophobicContact CG-CG2 4.04Å; V345-V361 CarbonylContact O-C 3.58Å; V345-V361 WeakPolarHBondContact O-CA 3.25Å; V345-S362 PolarHBondContact N-O 3.07Å; V345-S362 PolarHBondContact O-N 3.32Å; V345-Q382 CarbonylContact C-O 3.52Å; V345-Q382 WeakPolarHBondContact CA-O 3.46Å; V345-Q382 HydrophobicContact CG1-CB 4.22Å; V345-Q382 HydrophobicContact CG1-CG 4.37Å; V345-Q382 HydrophobicContact CG2-CB 4.26Å; V345-I384 HydrophobicContact CG1-CD1 4.12Å |
| 346 | Y | 93.1 | Very high | 88 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 133.6 | 175.2 | -66.7 | -93.4 | 0 | 0 | 0 | 110.4 | F236 L238 Y284 V302 A344 S360 V361 Q382 V383 I384 | F236-Y346 HydrophobicContact CE2-CE1 4.42Å; F236-Y346 AromaticContact CZ-CD1 3.99Å; F236-Y346 HydrophobicContact CZ-CD1 3.99Å; F236-Y346 HydrophobicContact CZ-CD2 4.32Å; F236-Y346 AromaticContact CZ-CE1 3.79Å; F236-Y346 HydrophobicContact CZ-CE1 3.79Å; F236-Y346 HydrophobicContact CZ-CE2 4.15Å; F236-Y346 HydrophobicContact CZ-CG 4.24Å; F236-Y346 AromaticContact CZ-CZ 3.87Å; L238-Y346 HydrophobicContact CD1-CD2 4.23Å; L238-Y346 HydrophobicContact CD1-CE2 4.39Å; L238-Y346 HydrophobicContact CD2-CD2 4.14Å; L238-Y346 HydrophobicContact CD2-CE2 3.48Å; L238-Y346 VanDerWaalsContact CD2-CE2 3.48Å; Y284-Y346 WeakPolarHBondContact CA-OH 3.35Å; Y284-Y346 VanDerWaalsContact CB-OH 3.25Å; Y284-Y346 WeakPolarHBondContact CB-OH 3.4Å; Y284-Y346 WeakPolarHBondContact O-CE1 3.44Å; Y284-Y346 PolarHBondContact O-OH 2.83Å; V302-Y346 HydrophobicContact CG1-CD1 4.1Å; V302-Y346 HydrophobicContact CG1-CE1 3.98Å; A344-Y346 HydrophobicContact CB-CE2 4.18Å; Y346-S360 CarbonylContact C-O 3.58Å; Y346-S360 WeakPolarHBondContact CA-O 3.27Å; Y346-V361 HydrophobicContact CD1-CB 3.94Å; Y346-V361 HydrophobicContact CD1-CG2 3.98Å; Y346-V361 HydrophobicContact CD2-CG2 4.26Å; Y346-V361 HydrophobicContact CE1-CB 3.89Å; Y346-V361 HydrophobicContact CE1-CG2 3.78Å; Y346-V361 HydrophobicContact CE2-CG2 4.06Å; Y346-V361 HydrophobicContact CG-CG2 4.23Å; Y346-Q382 PolarHBondContact N-O 3.04Å; Y346-V383 HydrophobicContact CD2-CG2 4.45Å; Y346-V383 CarbonylContact O-C 3.56Å; Y346-V383 WeakPolarHBondContact O-CA 3.38Å; Y346-I384 PolarHBondContact O-N 3.22Å |
| 347 | V | 90.8 | Very high | 88.8 | Confident | 32 Ų | 32 | 35 Ų | 35 | 19% | 0.194 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.7 | 170.3 | -179 | 0 | 0 | 0 | 0 | 107.4 | A359 S360 I384 | V347-A359 WeakPolarHBondContact O-CA 3.22Å; V347-S360 PolarHBondContact N-O 2.86Å; V347-S360 PolarHBondContact O-N 3.28Å; V347-I384 CarbonylContact C-O 3.59Å; V347-I384 WeakPolarHBondContact CA-O 3.38Å |
| 348 | I | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 119.5 | -176.3 | -56.4 | 176.7 | 0 | 0 | 0 | 108.6 | L224 L289 L356 A359 V383 I384 F385 Q386 | L224-I348 HydrophobicContact CD1-CD1 3.53Å; L289-I348 HydrophobicContact CD1-CD1 3.97Å; L289-I348 HydrophobicContact CD1-CG1 4.33Å; I348-L356 HydrophobicContact CG2-CB 4.47Å; I348-L356 HydrophobicContact CG2-CD1 4.12Å; I348-L356 HydrophobicContact CG2-CD2 3.82Å; I348-L356 HydrophobicContact CG2-CG 4.36Å; I348-A359 HydrophobicContact CG1-CB 4.21Å; I348-V383 HydrophobicContact CD1-CG1 3.76Å; I348-V383 HydrophobicContact CG1-CG1 4.33Å; I348-I384 PolarHBondContact N-O 3.22Å; I348-F385 HydrophobicContact CB-CD1 3.99Å; I348-F385 HydrophobicContact CB-CE1 4.08Å; I348-F385 HydrophobicContact CD1-CE1 4Å; I348-F385 HydrophobicContact CD1-CZ 4.29Å; I348-F385 HydrophobicContact CG2-CD1 4.21Å; I348-F385 HydrophobicContact CG2-CE1 4.15Å; I348-F385 WeakPolarHBondContact O-CA 3.16Å; I348-Q386 PolarHBondContact O-N 2.87Å |
| 349 | K | 91.1 | Very high | 89.5 | Confident | 72 Ų | 72 | 37 Ų | 37 | 31% | 0.313 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 135.7 | 178.4 | -66.7 | -176.8 | -179.8 | 176.6 | 0 | 111.8 | L356 V357 N358 Q386 | K349-L356 WeakPolarHBondContact O-CA 3.46Å; K349-V357 PolarHBondContact O-N 2.82Å; K349-N358 HydrophobicContact CB-CB 4.3Å; K349-N358 HydrophobicContact CD-CB 4.48Å; K349-N358 PolarHBondContact N-O 3.48Å; K349-Q386 CarbonylContact C-O 3.09Å; K349-Q386 WeakPolarHBondContact CA-O 3.41Å; K349-Q386 HydrophobicContact CG-CB 4.34Å |
| 350 | Y | 89.8 | Confident | 89.8 | Confident | 51 Ų | 51 | 36.4 Ų | 36.4 | 20% | 0.2 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 150.1 | -176.1 | 69.1 | -84.3 | 0 | 0 | 0 | 112.9 | F255 L256 E355 F385 Q386 A387 D388 | F255-Y350 HydrophobicContact CE2-CD1 4.39Å; F255-Y350 HydrophobicContact CE2-CD2 4.32Å; F255-Y350 AromaticContact CE2-CG 3.92Å; F255-Y350 HydrophobicContact CE2-CG 3.92Å; F255-Y350 AromaticContact CZ-CD2 3.75Å; F255-Y350 HydrophobicContact CZ-CD2 3.75Å; F255-Y350 HydrophobicContact CZ-CE2 4.44Å; F255-Y350 AromaticContact CZ-CG 3.84Å; F255-Y350 HydrophobicContact CZ-CG 3.84Å; L256-Y350 HydrophobicContact CD2-CD1 4.02Å; L256-Y350 HydrophobicContact CD2-CD2 4.3Å; L256-Y350 HydrophobicContact CD2-CE1 3.36Å; L256-Y350 HydrophobicContact CD2-CE2 3.72Å; L256-Y350 HydrophobicContact CD2-CG 4.46Å; L256-Y350 WeakPolarHBondContact CD2-OH 3.37Å; Y350-E355 CarbonylContact C-O 3.56Å; Y350-E355 VanDerWaalsContact CA-O 3.26Å; Y350-E355 WeakPolarHBondContact CA-O 3.34Å; Y350-F385 HydrophobicContact CD1-CB 4.18Å; Y350-F385 HydrophobicContact CE1-CB 3.95Å; Y350-Q386 WeakPolarHBondContact CD1-O 3.37Å; Y350-Q386 WeakPolarHBondContact CE1-O 3.35Å; Y350-Q386 PolarHBondContact N-O 3.08Å; Y350-A387 HydrophobicContact CE1-CB 4.43Å; Y350-A387 HydrophobicContact CE2-CB 4.42Å; Y350-A387 CarbonylContact O-C 3.59Å; Y350-A387 WeakPolarHBondContact O-CA 3.41Å; Y350-D388 WeakPolarHBondContact O-CB 3.4Å; Y350-D388 PolarHBondContact O-N 3.24Å |
| 351 | K | 87.7 | Confident | 90 | Very high | 93 Ų | 93 | 36.4 Ų | 36.4 | 40% | 0.404 | 20% | 0.2 | S | C | . | . | trans | -82.5 | 164.3 | 173.8 | -80.5 | 161.4 | -176.3 | 175.8 | 0 | 111.8 | S353 G354 E355 V357 D388 | K351-S353 WeakPolarHBondContact CB-OG 3.44Å; K351-S353 PolarHBondContact O-N 2.93Å; K351-G354 PolarHBondContact O-N 2.82Å; K351-E355 PolarHBondContact N-O 3.42Å; K351-V357 HydrophobicContact CB-CG2 4.39Å; K351-V357 HydrophobicContact CD-CG2 3.71Å; K351-V357 HydrophobicContact CG-CG2 3.52Å; K351-D388 HydrophobicContact CG-CB 4.48Å | ||
| 352 | S | 80.4 | Confident | 90 | Very high | 138 Ų | 138 | 38 Ų | 38 | 97% | 0.965 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20.3 | 170.4 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | G354 | S352-G354 VanDerWaalsContact C-N 3.27Å; S352-G354 PolarHBondContact O-N 3.34Å |
| 353 | S | 82.9 | Confident | 90 | Very high | 53 Ų | 53 | 36.6 Ų | 36.6 | 37% | 0.371 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -7.7 | 172.6 | 57.1 | 0 | 0 | 0 | 0 | 114.6 | G217 K351 E355 | G217-S353 WeakPolarHBondContact CA-O 3Å; K351-S353 WeakPolarHBondContact CB-OG 3.44Å; K351-S353 PolarHBondContact O-N 2.93Å; S353-E355 VanDerWaalsContact C-N 3.33Å |
| 354 | G | 84.6 | Confident | 89.9 | Confident | 6 Ų | 6 | 34.6 Ų | 34.6 | 6% | 0.062 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 84.4 | 2.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | G217 Y218 K351 S352 | G217-G354 VanDerWaalsContact CA-C 3.46Å; G217-G354 WeakPolarHBondContact CA-O 3.26Å; Y218-G354 PolarHBondContact N-O 3.23Å; Y218-G354 WeakPolarHBondContact O-CA 3.41Å; K351-G354 PolarHBondContact O-N 2.82Å; S352-G354 VanDerWaalsContact C-N 3.27Å; S352-G354 PolarHBondContact O-N 3.34Å |
| 355 | E | 91.3 | Very high | 89.7 | Confident | 60 Ų | 60 | 34.6 Ų | 34.6 | 28% | 0.28 | 20% | 0.197 | S | C | . | . | trans | -80.2 | 134.5 | 177.5 | -67.6 | 178.9 | 157 | 0 | 0 | 111.4 | S216 A291 Y350 K351 S353 | S216-E355 WeakPolarHBondContact CB-OE1 3.49Å; S216-E355 PolarHBondContact OG-OE1 3.32Å; A291-E355 CarbonylContact O-C 3.56Å; A291-E355 WeakPolarHBondContact O-CA 3.23Å; Y350-E355 CarbonylContact C-O 3.56Å; Y350-E355 VanDerWaalsContact CA-O 3.26Å; Y350-E355 WeakPolarHBondContact CA-O 3.34Å; K351-E355 PolarHBondContact N-O 3.42Å; S353-E355 VanDerWaalsContact C-N 3.33Å | ||
| 356 | L | 92.4 | Very high | 89.4 | Confident | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.037 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 138.2 | 173.7 | -43.1 | -177.6 | 0 | 0 | 0 | 109.7 | Y218 L224 F255 L289 L290 A291 V300 I348 K349 | Y218-L356 HydrophobicContact CD2-CD1 4.44Å; Y218-L356 HydrophobicContact CD2-CD2 4.12Å; Y218-L356 HydrophobicContact CD2-CG 4.03Å; Y218-L356 HydrophobicContact CE2-CD1 3.97Å; Y218-L356 HydrophobicContact CE2-CD2 4.46Å; Y218-L356 HydrophobicContact CE2-CG 3.94Å; L224-L356 HydrophobicContact CD2-CD1 4.18Å; F255-L356 HydrophobicContact CD2-CD2 3.91Å; F255-L356 HydrophobicContact CE2-CD2 3.61Å; L289-L356 HydrophobicContact CB-CD1 4.26Å; L289-L356 HydrophobicContact CD1-CD1 4.4Å; L290-L356 WeakPolarHBondContact O-CD1 3.48Å; A291-L356 PolarHBondContact O-N 3.48Å; V300-L356 HydrophobicContact CG2-CB 4.32Å; I348-L356 HydrophobicContact CG2-CB 4.47Å; I348-L356 HydrophobicContact CG2-CD1 4.12Å; I348-L356 HydrophobicContact CG2-CD2 3.82Å; I348-L356 HydrophobicContact CG2-CG 4.36Å; K349-L356 WeakPolarHBondContact O-CA 3.46Å |
| 357 | V | 90.9 | Very high | 89 | Confident | 52 Ų | 52 | 36 Ų | 36 | 32% | 0.315 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | -44.3 | -176.1 | -173.7 | 0 | 0 | 0 | 0 | 111.6 | K349 K351 D388 | K349-V357 PolarHBondContact O-N 2.82Å; K351-V357 HydrophobicContact CB-CG2 4.39Å; K351-V357 HydrophobicContact CD-CG2 3.71Å; K351-V357 HydrophobicContact CG-CG2 3.52Å; V357-D388 HydrophobicContact CB-CB 4.5Å; V357-D388 HydrophobicContact CG2-CB 4.01Å |
| 358 | N | 90.5 | Very high | 88.3 | Confident | 59 Ų | 59 | 35.1 Ų | 35.1 | 32% | 0.316 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 146.1 | -177.1 | -175.9 | -62.1 | 0 | 0 | 0 | 107.9 | K349 | K349-N358 HydrophobicContact CB-CB 4.3Å; K349-N358 HydrophobicContact CD-CB 4.48Å; K349-N358 PolarHBondContact N-O 3.48Å |
| 359 | A | 92.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 138.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | L289 V300 V302 D303 V347 I348 | L289-A359 HydrophobicContact CD1-CB 3.66Å; V300-A359 HydrophobicContact CG1-CB 4.36Å; V302-A359 CarbonylContact C-O 3.55Å; V302-A359 WeakPolarHBondContact CA-O 3.46Å; V302-A359 HydrophobicContact CG2-CB 3.91Å; D303-A359 PolarHBondContact N-O 2.82Å; V347-A359 WeakPolarHBondContact O-CA 3.22Å; I348-A359 HydrophobicContact CG1-CB 4.21Å |
| 360 | S | 91.3 | Very high | 86.2 | Confident | 25 Ų | 25 | 35.1 Ų | 35.1 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 150.6 | 177.1 | 67.1 | 0 | 0 | 0 | 0 | 111.7 | D303 Y346 V347 | D303-S360 CarbonylContact O-C 3.58Å; D303-S360 WeakPolarHBondContact O-CA 3.49Å; Y346-S360 CarbonylContact C-O 3.58Å; Y346-S360 WeakPolarHBondContact CA-O 3.27Å; V347-S360 PolarHBondContact N-O 2.86Å; V347-S360 PolarHBondContact O-N 3.28Å |
| 361 | V | 91.9 | Very high | 84.8 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 132.8 | 176.3 | 69 | 0 | 0 | 0 | 0 | 111.6 | V302 D303 V304 A305 A344 V345 Y346 L363 | V302-V361 HydrophobicContact CG1-CB 3.75Å; V302-V361 HydrophobicContact CG1-CG1 3.74Å; D303-V361 PolarHBondContact O-N 3.38Å; V304-V361 HydrophobicContact CG2-CG1 4.24Å; A305-V361 PolarHBondContact N-O 3.25Å; A344-V361 HydrophobicContact CB-CG2 4.33Å; V345-V361 CarbonylContact O-C 3.58Å; V345-V361 WeakPolarHBondContact O-CA 3.25Å; Y346-V361 HydrophobicContact CD1-CB 3.94Å; Y346-V361 HydrophobicContact CD1-CG2 3.98Å; Y346-V361 HydrophobicContact CD2-CG2 4.26Å; Y346-V361 HydrophobicContact CE1-CB 3.89Å; Y346-V361 HydrophobicContact CE1-CG2 3.78Å; Y346-V361 HydrophobicContact CE2-CG2 4.06Å; Y346-V361 HydrophobicContact CG-CG2 4.23Å; V361-L363 HydrophobicContact CG1-CD1 4.26Å; V361-L363 HydrophobicContact CG2-CD2 4.26Å; V361-L363 HydrophobicContact CG2-CG 4.12Å |
| 362 | S | 90.4 | Very high | 83.3 | Confident | 35 Ų | 35 | 42.1 Ų | 42.1 | 25% | 0.245 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.5 | 169.6 | -70.2 | 0 | 0 | 0 | 0 | 109.6 | S306 V345 | S306-S362 WeakPolarHBondContact O-CA 3.38Å; S306-S362 VanDerWaalsContact OG-CB 3.29Å; S306-S362 WeakPolarHBondContact OG-CB 3.44Å; S306-S362 PolarHBondContact OG-OG 2.83Å; V345-S362 PolarHBondContact N-O 3.07Å; V345-S362 PolarHBondContact O-N 3.32Å |
| 363 | L | 88.6 | Confident | 82.1 | Confident | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 140.5 | -172.1 | -69.1 | 153.8 | 0 | 0 | 0 | 111.2 | M281 S306 V307 I308 V341 K343 A344 V361 | M281-L363 HydrophobicContact CE-CD1 3.72Å; M281-L363 HydrophobicContact CG-CD1 3.74Å; M281-L363 HydrophobicContact SD-CD1 4.14Å; S306-L363 PolarHBondContact O-N 2.54Å; V307-L363 WeakPolarHBondContact CA-O 3.38Å; I308-L363 PolarHBondContact N-O 3.05Å; V341-L363 HydrophobicContact CG1-CD2 3.92Å; V341-L363 HydrophobicContact CG2-CD2 4.32Å; K343-L363 CarbonylContact O-C 3.52Å; K343-L363 WeakPolarHBondContact O-CA 3.28Å; A344-L363 HydrophobicContact CB-CD2 3.64Å; V361-L363 HydrophobicContact CG1-CD1 4.26Å; V361-L363 HydrophobicContact CG2-CD2 4.26Å; V361-L363 HydrophobicContact CG2-CG 4.12Å |
| 364 | V | 88.9 | Confident | 80.9 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 10% | 0.097 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.4 | 168.2 | -173.8 | 0 | 0 | 0 | 0 | 108 | I308 Q310 L342 K343 | I308-V364 HydrophobicContact CB-CG2 4.36Å; I308-V364 CarbonylContact O-C 3.53Å; I308-V364 WeakPolarHBondContact O-CA 3.42Å; Q310-V364 HydrophobicContact CB-CG1 3.77Å; L342-V364 PolarHBondContact N-O 3.36Å; K343-V364 HydrophobicContact CB-CB 4Å; K343-V364 HydrophobicContact CB-CG2 4.02Å; K343-V364 PolarHBondContact N-O 2.93Å; K343-V364 PolarHBondContact O-N 3.17Å |
| 365 | L | 88.9 | Confident | 80 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 142.9 | 175.7 | -51.3 | -179.2 | 0 | 0 | 0 | 109.9 | M281 V307 I308 L309 Q310 F327 N339 M340 V341 | M281-L365 HydrophobicContact CB-CD2 4.49Å; M281-L365 HydrophobicContact SD-CD1 4.37Å; V307-L365 HydrophobicContact CG1-CD1 3.63Å; V307-L365 HydrophobicContact CG1-CG 3.85Å; I308-L365 PolarHBondContact O-N 3.49Å; L309-L365 CarbonylContact C-O 3.54Å; L309-L365 WeakPolarHBondContact CA-O 3.08Å; L309-L365 HydrophobicContact CD2-CB 3.96Å; L309-L365 HydrophobicContact CD2-CD1 4.25Å; Q310-L365 PolarHBondContact N-O 3.36Å; F327-L365 HydrophobicContact CB-CD1 3.88Å; F327-L365 HydrophobicContact CG-CD1 4.29Å; N339-L365 HydrophobicContact CB-CD1 4.49Å; M340-L365 CarbonylContact O-C 3.57Å; M340-L365 WeakPolarHBondContact O-CA 3.45Å; V341-L365 HydrophobicContact CB-CD2 4.4Å; V341-L365 HydrophobicContact CG2-CD2 3.68Å |
| 366 | G | 86.9 | Confident | 79.4 | Confident | 4 Ų | 4 | 48.5 Ų | 48.5 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | -179.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q310 N339 M340 | Q310-G366 WeakPolarHBondContact O-CA 3.33Å; N339-G366 PolarHBondContact N-O 3.15Å; M340-G366 PolarHBondContact N-O 3.33Å; M340-G366 VanDerWaalsContact N-O 3.16Å; M340-G366 PolarHBondContact O-N 2.76Å |
| 367 | F | 82.9 | Confident | 79 | Confident | 50 Ų | 50 | 48.8 Ų | 48.8 | 22% | 0.219 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132.7 | 179.7 | -178 | -84.1 | 0 | 0 | 0 | 111 | I312 T332 C337 A338 N369 | I312-F367 HydrophobicContact CD1-CD1 3.44Å; I312-F367 VanDerWaalsContact CD1-CD1 3.44Å; I312-F367 HydrophobicContact CD1-CE1 3.64Å; I312-F367 HydrophobicContact CD1-CG 4.42Å; I312-F367 HydrophobicContact CG1-CB 4.29Å; I312-F367 HydrophobicContact CG1-CD1 3.53Å; I312-F367 HydrophobicContact CG1-CE1 4.26Å; I312-F367 HydrophobicContact CG1-CG 4.24Å; T332-F367 HydrophobicContact CG2-CE2 3.87Å; T332-F367 VanDerWaalsContact OG1-CE2 3.24Å; T332-F367 WeakPolarHBondContact OG1-CE2 3.42Å; C337-F367 WeakPolarHBondContact O-CA 3.4Å; C337-F367 WeakPolarHBondContact O-CD2 3.35Å; A338-F367 HydrophobicContact CB-CD2 3.88Å; A338-F367 HydrophobicContact CB-CE2 4.47Å; F367-N369 HydrophobicContact CE1-CB 4.07Å |
| 368 | V | 77.7 | Confident | 78.8 | Confident | 14 Ų | 14 | 51.9 Ų | 51.9 | 9% | 0.085 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 128.5 | 175.1 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | L267 G336 C337 M340 T373 L377 | L267-V368 HydrophobicContact CD1-CG1 4.02Å; G336-V368 CarbonylContact C-O 3.5Å; G336-V368 WeakPolarHBondContact CA-O 2.91Å; C337-V368 PolarHBondContact N-O 2.97Å; C337-V368 PolarHBondContact O-N 3.41Å; M340-V368 HydrophobicContact CE-CB 3.46Å; M340-V368 VanDerWaalsContact CE-CB 3.46Å; M340-V368 HydrophobicContact CE-CG2 3.37Å; M340-V368 VanDerWaalsContact CE-N 3.26Å; M340-V368 HydrophobicContact SD-CB 4.44Å; M340-V368 HydrophobicContact SD-CG2 4.39Å; V368-T373 HydrophobicContact CG1-CG2 4.31Å; V368-T373 VanDerWaalsContact CG1-OG1 3.3Å; V368-T373 WeakPolarHBondContact CG1-OG1 3.4Å; V368-L377 HydrophobicContact CG2-CD1 3.42Å; V368-L377 VanDerWaalsContact CG2-CD1 3.42Å; V368-L377 HydrophobicContact CG2-CD2 4.45Å; V368-L377 HydrophobicContact CG2-CG 4.43Å |
| 369 | N | 74.9 | Confident | 78.8 | Confident | 32 Ų | 32 | 49.2 Ų | 49.2 | 17% | 0.171 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 112.4 | 174.3 | -167.7 | -24.8 | 0 | 0 | 0 | 110.2 | F367 S371 R372 T373 | F367-N369 HydrophobicContact CE1-CB 4.07Å; N369-S371 PolarHBondContact O-N 2.85Å; N369-S371 PolarHBondContact OD1-N 2.84Å; N369-S371 VanDerWaalsContact OD1-N 3.1Å; N369-S371 PolarHBondContact OD1-OG 2.88Å; N369-R372 PolarHBondContact O-N 2.82Å; N369-T373 PolarHBondContact O-N 2.75Å; N369-T373 PolarHBondContact O-OG1 2.71Å |
| 370 | T | 64.4 | Low | 78.8 | Confident | 41 Ų | 41 | 50.8 Ų | 50.8 | 25% | 0.252 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -13.6 | -175.5 | 71 | 0 | 0 | 0 | 0 | 113.6 | L269 S335 | L269-T370 HydrophobicContact CD1-CG2 3.38Å; S335-T370 WeakPolarHBondContact O-CB 3.49Å; S335-T370 WeakPolarHBondContact O-CG2 3.28Å; S335-T370 PolarHBondContact O-N 2.89Å; S335-T370 VanDerWaalsContact O-N 3.13Å; S335-T370 PolarHBondContact O-OG1 2.82Å |
| 371 | S | 60.9 | Low | 78.9 | Confident | 78 Ų | 78 | 49.6 Ų | 49.6 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -18.8 | 179.8 | 65.2 | 0 | 0 | 0 | 0 | 114.7 | N369 | N369-S371 PolarHBondContact O-N 2.85Å; N369-S371 PolarHBondContact OD1-N 2.84Å; N369-S371 VanDerWaalsContact OD1-N 3.1Å; N369-S371 PolarHBondContact OD1-OG 2.88Å |
| 372 | R | 56.7 | Low | 78.9 | Confident | 212 Ų | 212 | 51.9 Ų | 51.9 | 80% | 0.8 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.8 | -18.6 | -174.3 | -62.4 | -168.6 | -157.5 | -171 | 4.6 | 114.6 | N369 | N369-R372 PolarHBondContact O-N 2.82Š|
| 373 | T | 55 | Low | 79 | Confident | 58 Ų | 58 | 50.2 Ų | 50.2 | 36% | 0.356 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -95.3 | 132 | -180 | 51.8 | 0 | 0 | 0 | 0 | 108.4 | V368 N369 N375 | V368-T373 HydrophobicContact CG1-CG2 4.31Å; V368-T373 VanDerWaalsContact CG1-OG1 3.3Å; V368-T373 WeakPolarHBondContact CG1-OG1 3.4Å; N369-T373 PolarHBondContact O-N 2.75Å; N369-T373 PolarHBondContact O-OG1 2.71Å; T373-N375 PolarHBondContact O-N 2.91Å |
| 374 | H | 57.4 | Low | 79 | Confident | 168 Ų | 168 | 52.4 Ų | 52.4 | 78% | 0.778 | 27% | 0.265 | S | S | * | . | trans | -50 | 138 | 160.9 | -67.7 | -93.3 | 0 | 0 | 0 | 107 | S376 | H374-S376 PolarHBondContact O-N 2.88Š| ||
| 375 | N | 66.3 | Low | 79 | Confident | 108 Ų | 108 | 52.2 Ų | 52.2 | 58% | 0.578 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -60.8 | 47.1 | -170 | -63 | -23.3 | 0 | 0 | 0 | 115.1 | R266 L267 T373 | R266-N375 CarbonylContact C-O 3.59Å; R266-N375 WeakPolarHBondContact CA-O 3.13Å; L267-N375 PolarHBondContact N-O 2.79Å; T373-N375 PolarHBondContact O-N 2.91Å |
| 376 | S | 76.9 | Confident | 78.7 | Confident | 58 Ų | 58 | 54.2 Ų | 54.2 | 41% | 0.406 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 122.1 | -175.2 | 59.1 | 0 | 0 | 0 | 0 | 109.4 | Q265 H374 | Q265-S376 CarbonylContact O-C 3.57Å; Q265-S376 VanDerWaalsContact O-CA 3.26Å; Q265-S376 WeakPolarHBondContact O-CA 3.04Å; H374-S376 PolarHBondContact O-N 2.88Å |
| 377 | L | 84 | Confident | 78.4 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 122.5 | 175.8 | 176.7 | 59.3 | 0 | 0 | 0 | 109.6 | S264 Q265 L267 L279 M340 L342 V368 Q379 | S264-L377 CarbonylContact C-O 3.6Å; S264-L377 WeakPolarHBondContact CA-O 3.29Å; Q265-L377 PolarHBondContact N-O 2.99Å; Q265-L377 PolarHBondContact O-N 3.24Å; L267-L377 HydrophobicContact CD1-CB 4.04Å; L267-L377 HydrophobicContact CD2-CB 4.29Å; L267-L377 HydrophobicContact CG-CB 4.16Å; L279-L377 HydrophobicContact CD2-CD2 3.6Å; M340-L377 HydrophobicContact CB-CD2 4.48Å; M340-L377 HydrophobicContact SD-CD2 4.43Å; L342-L377 HydrophobicContact CD2-CD1 3.5Å; L342-L377 VanDerWaalsContact CD2-CD1 3.5Å; L342-L377 HydrophobicContact CD2-CD2 4.19Å; L342-L377 HydrophobicContact CD2-CG 4.22Å; V368-L377 HydrophobicContact CG2-CD1 3.42Å; V368-L377 VanDerWaalsContact CG2-CD1 3.42Å; V368-L377 HydrophobicContact CG2-CD2 4.45Å; V368-L377 HydrophobicContact CG2-CG 4.43Å; L377-Q379 HydrophobicContact CD2-CG 4.24Å; L377-Q379 HydrophobicContact CG-CG 4.16Å |
| 378 | Q | 87.7 | Confident | 77.9 | Confident | 118 Ų | 118 | 57.2 Ų | 57.2 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.9 | 171.8 | -167.9 | 173.8 | 32.9 | 0 | 0 | 110.2 | C263 | C263-Q378 CarbonylContact O-C 3.45Å; C263-Q378 WeakPolarHBondContact O-CA 3.4Å |
| 379 | Q | 90.6 | Very high | 77 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.009 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 150.8 | 175.4 | -62.6 | 179.9 | -75.7 | 0 | 0 | 110.3 | R262 C263 A278 V341 L342 L377 F381 | R262-Q379 WeakPolarHBondContact CA-O 3.34Å; C263-Q379 PolarHBondContact N-O 2.86Å; C263-Q379 VanDerWaalsContact N-O 3.11Å; C263-Q379 PolarHBondContact O-N 2.83Å; A278-Q379 PolarHBondContact O-NE2 2.74Å; V341-Q379 PolarHBondContact O-NE2 2.83Å; L342-Q379 CarbonylContact O-C 3.51Å; L342-Q379 VanDerWaalsContact O-CA 3.26Å; L342-Q379 WeakPolarHBondContact O-CA 3.12Å; L377-Q379 HydrophobicContact CD2-CG 4.24Å; L377-Q379 HydrophobicContact CG-CG 4.16Å; Q379-F381 HydrophobicContact CB-CE2 3.54Å; Q379-F381 HydrophobicContact CB-CZ 3.75Å; Q379-F381 HydrophobicContact CG-CZ 4.47Å |
| 380 | E | 92.3 | Very high | 75.6 | Confident | 34 Ų | 34 | 60.7 Ų | 60.7 | 16% | 0.159 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.3 | 179 | -173.9 | 176.8 | 132 | 0 | 0 | 111 | T260 S261 R262 L342 K343 A344 | T260-E380 HydrophobicContact CG2-CG 4.34Å; S261-E380 CarbonylContact O-C 3.48Å; S261-E380 WeakPolarHBondContact O-CA 3.13Å; R262-E380 HydrophobicContact CG-CB 4.21Å; R262-E380 HydrophobicContact CG-CG 3.94Å; R262-E380 IonicContact CZ-OE2 3.83Å; R262-E380 VanDerWaalsContact CZ-OE2 3.22Å; R262-E380 IonicContact NE-OE2 2.84Å; R262-E380 PolarHBondContact NE-OE2 2.69Å; R262-E380 IonicContact NH2-OE2 2.83Å; R262-E380 PolarHBondContact NH2-OE2 2.78Å; L342-E380 PolarHBondContact O-N 3Å; K343-E380 CarbonylContact C-O 3.54Å; K343-E380 WeakPolarHBondContact CA-O 3.34Å; K343-E380 HydrophobicContact CB-CB 4.36Å; K343-E380 HydrophobicContact CD-CB 4.39Å; K343-E380 HydrophobicContact CD-CG 4.39Å; K343-E380 WeakPolarHBondContact CE-OE1 3.17Å; K343-E380 HydrophobicContact CG-CB 4.19Å; K343-E380 HydrophobicContact CG-CG 4.5Å; K343-E380 IonicContact NZ-OE1 2.74Å; K343-E380 PolarHBondContact NZ-OE1 2.85Å; A344-E380 PolarHBondContact N-O 2.94Å |
| 381 | F | 93.4 | Very high | 74.7 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 0% | 0.004 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.3 | 179.7 | -56.2 | -84.5 | 0 | 0 | 0 | 110 | P239 T260 S261 Y284 A344 Q379 | P239-F381 HydrophobicContact CB-CD2 3.92Å; P239-F381 HydrophobicContact CB-CE2 3.53Å; P239-F381 HydrophobicContact CB-CZ 3.98Å; P239-F381 HydrophobicContact CG-CD1 4.43Å; P239-F381 HydrophobicContact CG-CD2 4.19Å; P239-F381 HydrophobicContact CG-CE1 4.01Å; P239-F381 HydrophobicContact CG-CE2 3.72Å; P239-F381 HydrophobicContact CG-CZ 3.62Å; P239-F381 VanDerWaalsContact O-CD2 3.22Å; P239-F381 WeakPolarHBondContact O-CD2 3.45Å; T260-F381 CarbonylContact C-O 3.59Å; T260-F381 WeakPolarHBondContact CA-O 3.4Å; S261-F381 PolarHBondContact N-O 2.96Å; S261-F381 PolarHBondContact O-N 3.14Å; S261-F381 PolarHBondContact OG-O 3.02Å; Y284-F381 HydrophobicContact CD1-CD1 4.43Å; Y284-F381 AromaticContact CD1-CE1 3.99Å; Y284-F381 HydrophobicContact CD1-CE1 3.99Å; Y284-F381 HydrophobicContact CE1-CD1 4.04Å; Y284-F381 AromaticContact CE1-CE1 3.3Å; Y284-F381 HydrophobicContact CE1-CE1 3.3Å; Y284-F381 HydrophobicContact CE1-CZ 4.02Å; Y284-F381 HydrophobicContact CE2-CE1 4.3Å; Y284-F381 AromaticContact CZ-CE1 3.48Å; Y284-F381 VanDerWaalsContact CZ-CE1 3.48Å; Y284-F381 AromaticContact CZ-CZ 3.87Å; Y284-F381 WeakPolarHBondContact OH-CZ 3.45Å; A344-F381 HydrophobicContact CB-CD1 3.93Å; A344-F381 HydrophobicContact CB-CE1 4.24Å; A344-F381 WeakPolarHBondContact O-CA 3.48Å; Q379-F381 HydrophobicContact CB-CE2 3.54Å; Q379-F381 HydrophobicContact CB-CZ 3.75Å; Q379-F381 HydrophobicContact CG-CZ 4.47Å |
| 382 | Q | 92.2 | Very high | 74.1 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 139.9 | -178.2 | -172.8 | 173.3 | 11.5 | 0 | 0 | 111 | Q259 A344 V345 Y346 I384 | Q259-Q382 CarbonylContact O-C 3.53Å; Q259-Q382 VanDerWaalsContact O-CA 3.25Å; Q259-Q382 WeakPolarHBondContact O-CA 3.3Å; A344-Q382 PolarHBondContact O-N 3.39Å; V345-Q382 CarbonylContact C-O 3.52Å; V345-Q382 WeakPolarHBondContact CA-O 3.46Å; V345-Q382 HydrophobicContact CG1-CB 4.22Å; V345-Q382 HydrophobicContact CG1-CG 4.37Å; V345-Q382 HydrophobicContact CG2-CB 4.26Å; Y346-Q382 PolarHBondContact N-O 3.04Å; Q382-I384 HydrophobicContact CG-CD1 4.28Å; Q382-I384 HydrophobicContact CG-CG1 3.99Å |
| 383 | V | 93.1 | Very high | 73.8 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 132.6 | 170.2 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | L238 D258 Q259 Y346 I348 F385 | L238-V383 HydrophobicContact CD1-CG2 3.04Å; L238-V383 HydrophobicContact CG-CG2 4.5Å; D258-V383 WeakPolarHBondContact CA-O 3.22Å; Q259-V383 HydrophobicContact CG-CB 3.77Å; Q259-V383 HydrophobicContact CG-CG2 3.84Å; Q259-V383 PolarHBondContact N-O 2.64Å; Q259-V383 VanDerWaalsContact N-O 3.07Å; Q259-V383 PolarHBondContact O-N 3.27Å; Y346-V383 HydrophobicContact CD2-CG2 4.45Å; Y346-V383 CarbonylContact O-C 3.56Å; Y346-V383 WeakPolarHBondContact O-CA 3.38Å; I348-V383 HydrophobicContact CD1-CG1 3.76Å; I348-V383 HydrophobicContact CG1-CG1 4.33Å; V383-F385 HydrophobicContact CG1-CE2 3.91Å; V383-F385 HydrophobicContact CG1-CZ 4.05Å |
| 384 | I | 89 | Confident | 73.7 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 24% | 0.241 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.3 | -178.5 | -52.7 | 172.5 | 0 | 0 | 0 | 108.3 | D258 V345 Y346 V347 I348 Q382 | D258-I384 WeakPolarHBondContact OD1-CA 3.43Å; V345-I384 HydrophobicContact CG1-CD1 4.12Å; Y346-I384 PolarHBondContact O-N 3.22Å; V347-I384 CarbonylContact C-O 3.59Å; V347-I384 WeakPolarHBondContact CA-O 3.38Å; I348-I384 PolarHBondContact N-O 3.22Å; Q382-I384 HydrophobicContact CG-CD1 4.28Å; Q382-I384 HydrophobicContact CG-CG1 3.99Å |
| 385 | F | 88.2 | Confident | 73.9 | Confident | 13 Ų | 13 | 52.1 Ų | 52.1 | 6% | 0.057 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 132.1 | 175.5 | -66 | -87.9 | 0 | 0 | 0 | 111.4 | L224 V254 F255 L256 D258 I348 Y350 V383 | L224-F385 HydrophobicContact CD1-CE1 3.93Å; L224-F385 HydrophobicContact CD1-CZ 3.82Å; L224-F385 HydrophobicContact CD2-CE1 4.5Å; L224-F385 HydrophobicContact CG-CZ 4.46Å; V254-F385 WeakPolarHBondContact O-CE2 3.12Å; V254-F385 VanDerWaalsContact O-CZ 3.24Å; V254-F385 WeakPolarHBondContact O-CZ 3.24Å; F255-F385 HydrophobicContact CD2-CD1 4.03Å; F255-F385 AromaticContact CD2-CE1 3.77Å; F255-F385 HydrophobicContact CD2-CE1 3.77Å; F255-F385 HydrophobicContact CE2-CD1 4.27Å; F255-F385 HydrophobicContact CE2-CE1 4.41Å; L256-F385 HydrophobicContact CD2-CB 4.05Å; D258-F385 PolarHBondContact OD1-N 3.23Å; I348-F385 HydrophobicContact CB-CD1 3.99Å; I348-F385 HydrophobicContact CB-CE1 4.08Å; I348-F385 HydrophobicContact CD1-CE1 4Å; I348-F385 HydrophobicContact CD1-CZ 4.29Å; I348-F385 HydrophobicContact CG2-CD1 4.21Å; I348-F385 HydrophobicContact CG2-CE1 4.15Å; I348-F385 WeakPolarHBondContact O-CA 3.16Å; Y350-F385 HydrophobicContact CD1-CB 4.18Å; Y350-F385 HydrophobicContact CE1-CB 3.95Å; V383-F385 HydrophobicContact CG1-CE2 3.91Å; V383-F385 HydrophobicContact CG1-CZ 4.05Å |
| 386 | Q | 83.1 | Confident | 74.2 | Confident | 42 Ų | 42 | 52 Ų | 52 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.2 | 178.4 | -177.3 | 173.9 | 12.5 | 0 | 0 | 111.1 | I348 K349 Y350 A393 | I348-Q386 PolarHBondContact O-N 2.87Å; K349-Q386 CarbonylContact C-O 3.09Å; K349-Q386 WeakPolarHBondContact CA-O 3.41Å; K349-Q386 HydrophobicContact CG-CB 4.34Å; Y350-Q386 WeakPolarHBondContact CD1-O 3.37Å; Y350-Q386 WeakPolarHBondContact CE1-O 3.35Å; Y350-Q386 PolarHBondContact N-O 3.08Å; Q386-A393 HydrophobicContact CG-CB 4.31Å |
| 387 | A | 80.5 | Confident | 74.4 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 34% | 0.339 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 134.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y350 G389 G390 | Y350-A387 HydrophobicContact CE1-CB 4.43Å; Y350-A387 HydrophobicContact CE2-CB 4.42Å; Y350-A387 CarbonylContact O-C 3.59Å; Y350-A387 WeakPolarHBondContact O-CA 3.41Å; A387-G389 PolarHBondContact O-N 3.02Å; A387-G390 PolarHBondContact O-N 2.84Å |
| 388 | D | 72.7 | Confident | 74.4 | Confident | 76 Ų | 76 | 49.4 Ų | 49.4 | 41% | 0.406 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 125.6 | 176 | -171.6 | 36.8 | 0 | 0 | 0 | 110 | Y350 K351 V357 G390 | Y350-D388 WeakPolarHBondContact O-CB 3.4Å; Y350-D388 PolarHBondContact O-N 3.24Å; K351-D388 HydrophobicContact CG-CB 4.48Å; V357-D388 HydrophobicContact CB-CB 4.5Å; V357-D388 HydrophobicContact CG2-CB 4.01Å; D388-G390 PolarHBondContact O-N 2.63Å |
| 389 | G | 57.1 | Low | 74 | Confident | 82 Ų | 82 | 50.1 Ų | 50.1 | 85% | 0.845 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 5.3 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A387 | A387-G389 PolarHBondContact O-N 3.02Š|
| 390 | G | 46.5 | Very low | 73.3 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 37% | 0.371 | 31% | 0.31 | S | S | . | . | trans | -75.4 | 136.2 | 169 | 0 | 0 | 0 | 0 | 0 | 111.1 | A387 D388 | A387-G390 PolarHBondContact O-N 2.84Å; D388-G390 PolarHBondContact O-N 2.63Å | ||
| 391 | E | 44.4 | Very low | 73.1 | Confident | 166 Ų | 166 | 50.9 Ų | 50.9 | 78% | 0.776 | 30% | 0.304 | S | S | * | . | S | Bend | trans | -38.3 | 139.2 | 154.5 | -80.3 | -80.9 | 144.6 | 0 | 0 | 108.9 | A393 | E391-A393 PolarHBondContact O-N 2.7Š|
| 392 | P | 49.5 | Very low | 73 | Confident | 55 Ų | 55 | 51.3 Ų | 51.3 | 36% | 0.357 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -44.8 | 122.4 | -172.8 | 16.5 | -29.9 | 0 | 0 | 0 | 110.2 | V394 I422 | P392-V394 PolarHBondContact O-N 3.27Å; P392-I422 HydrophobicContact CB-CD1 3.39Å; P392-I422 HydrophobicContact CB-CG1 3.93Å; P392-I422 HydrophobicContact CG-CD1 3.45Å; P392-I422 VanDerWaalsContact CG-CD1 3.45Å; P392-I422 HydrophobicContact CG-CG1 4.13Å |
| 393 | A | 49.6 | Very low | 72.7 | Confident | 46 Ų | 46 | 52.8 Ų | 52.8 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | trans | -37.7 | 106.9 | -163 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q386 E391 H395 | Q386-A393 HydrophobicContact CG-CB 4.31Å; E391-A393 PolarHBondContact O-N 2.7Å; A393-H395 PolarHBondContact O-N 3.27Å | ||
| 394 | V | 53 | Low | 72.4 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 24% | 0.242 | 35% | 0.347 | C | S | . | . | trans | -65.9 | 87.6 | 176 | 170 | 0 | 0 | 0 | 0 | 105.3 | P392 Y396 | P392-V394 PolarHBondContact O-N 3.27Å; V394-Y396 HydrophobicContact CB-CE1 4.43Å; V394-Y396 HydrophobicContact CG1-CD1 4.04Å; V394-Y396 HydrophobicContact CG1-CE1 3.44Å; V394-Y396 VanDerWaalsContact CG1-CE1 3.44Å; V394-Y396 HydrophobicContact CG1-CE2 4.37Å; V394-Y396 VanDerWaalsContact O-CD2 3.28Å; V394-Y396 WeakPolarHBondContact O-CD2 3.46Å; V394-Y396 WeakPolarHBondContact O-CE2 3.36Å; V394-Y396 PolarHBondContact O-N 2.75Å | ||
| 395 | H | 62.1 | Low | 72 | Confident | 70 Ų | 70 | 56.4 Ų | 56.4 | 32% | 0.324 | 35% | 0.347 | S | S | . | . | trans | -53.7 | 117.9 | 176.7 | -163.6 | 75.6 | 0 | 0 | 0 | 108 | A393 M406 M409 R420 | A393-H395 PolarHBondContact O-N 3.27Å; H395-M406 WeakPolarHBondContact NE2-CE 3.3Å; H395-M409 VanDerWaalsContact O-SD 3.4Å; H395-R420 PolarHBondContact O-NH1 2.93Å; H395-R420 VanDerWaalsContact O-NH1 3.14Å; H395-R420 PolarHBondContact O-NH2 2.9Å | ||
| 396 | Y | 71.8 | Confident | 71.8 | Confident | 106 Ų | 106 | 58.6 Ų | 58.6 | 42% | 0.416 | 36% | 0.358 | S | S | . | . | trans | -99.5 | 135.7 | 176.1 | -63.6 | -61.3 | 0 | 0 | 0 | 107.9 | V394 G398 M409 G493 N494 | V394-Y396 HydrophobicContact CB-CE1 4.43Å; V394-Y396 HydrophobicContact CG1-CD1 4.04Å; V394-Y396 HydrophobicContact CG1-CE1 3.44Å; V394-Y396 VanDerWaalsContact CG1-CE1 3.44Å; V394-Y396 HydrophobicContact CG1-CE2 4.37Å; V394-Y396 VanDerWaalsContact O-CD2 3.28Å; V394-Y396 WeakPolarHBondContact O-CD2 3.46Å; V394-Y396 WeakPolarHBondContact O-CE2 3.36Å; V394-Y396 PolarHBondContact O-N 2.75Å; Y396-G398 PolarHBondContact O-N 3.06Å; Y396-M409 HydrophobicContact CD1-SD 4.38Å; Y396-G493 CarbonylContact C-O 3.49Å; Y396-G493 WeakPolarHBondContact CA-O 3.4Å; Y396-G493 WeakPolarHBondContact CB-O 3.39Å; Y396-N494 HydrophobicContact CD1-CB 4.12Å; Y396-N494 HydrophobicContact CE1-CB 4.49Å | ||
| 397 | S | 82.9 | Confident | 72 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.014 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -92.9 | 15.5 | -179.9 | -54.7 | 0 | 0 | 0 | 0 | 112.5 | V403 P407 M409 G493 | S397-V403 PolarHBondContact O-N 3.43Å; S397-P407 WeakPolarHBondContact CB-O 3.3Å; S397-P407 PolarHBondContact OG-O 3.07Å; S397-M409 WeakPolarHBondContact OG-CG 3.37Å; S397-G493 PolarHBondContact N-O 3.01Å |
| 398 | G | 82.1 | Confident | 72.5 | Confident | 13 Ų | 13 | 55.3 Ų | 55.3 | 13% | 0.134 | 34% | 0.337 | C | S | . | . | S | Bend | trans | 152.6 | 174.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y396 G401 G493 N494 | Y396-G398 PolarHBondContact O-N 3.06Å; G398-G401 CarbonylContact C-O 3.3Å; G398-G401 VanDerWaalsContact CA-O 3.23Å; G398-G401 WeakPolarHBondContact CA-O 3.26Å; G398-G493 PolarHBondContact N-O 2.85Å; G398-G493 CarbonylContact O-C 3.56Å; G398-G493 VanDerWaalsContact O-O 3.14Å; G398-N494 WeakPolarHBondContact O-CB 3.4Å; G398-N494 PolarHBondContact O-N 3.24Å |
| 399 | N | 79.6 | Confident | 73.2 | Confident | 133 Ų | 133 | 52.1 Ų | 52.1 | 71% | 0.711 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -147.1 | 106.8 | 179.2 | -173.7 | 11.9 | 0 | 0 | 0 | 111.7 | N494 | N399-N494 PolarHBondContact OD1-ND2 3.14Š|
| 400 | P | 77 | Confident | 74.8 | Confident | 48 Ų | 48 | 48.4 Ų | 48.4 | 31% | 0.312 | 28% | 0.28 | S | S | . | . | S | Bend | cis | -79.6 | -35.2 | -12.7 | 29.5 | -34.3 | 0 | 0 | 0 | 114.4 | F492 G493 N494 Q540 | P400-F492 WeakPolarHBondContact O-CB 3.18Å; P400-G493 WeakPolarHBondContact O-CA 3.49Å; P400-G493 PolarHBondContact O-N 3.1Å; P400-N494 VanDerWaalsContact CA-CG 3.43Å; P400-N494 WeakPolarHBondContact CA-ND2 3.41Å; P400-N494 VanDerWaalsContact CA-OD1 3.29Å; P400-N494 WeakPolarHBondContact CA-OD1 3.17Å; P400-N494 WeakPolarHBondContact CB-OD1 3.25Å; P400-N494 PolarHBondContact O-N 3.38Å; P400-N494 PolarHBondContact O-OD1 3.06Å; P400-Q540 VanDerWaalsContact CD-OE1 3.28Å; P400-Q540 HydrophobicContact CG-CB 4.4Å; P400-Q540 HydrophobicContact CG-CG 3.81Å |
| 401 | G | 88.4 | Confident | 76.8 | Confident | 4 Ų | 4 | 46.9 Ų | 46.9 | 4% | 0.041 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -69.7 | 159.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G398 A541 | G398-G401 CarbonylContact C-O 3.3Å; G398-G401 VanDerWaalsContact CA-O 3.23Å; G398-G401 WeakPolarHBondContact CA-O 3.26Å; G401-A541 CarbonylContact C-O 3.46Å; G401-A541 WeakPolarHBondContact CA-O 3.04Å |
| 402 | Y | 90 | Very high | 78.8 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 4% | 0.043 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -64.3 | 140.6 | 174.2 | -81.4 | -86.4 | 0 | 0 | 0 | 112.6 | L408 F451 A490 F492 A541 I543 | Y402-L408 HydrophobicContact CD1-CD2 4.05Å; Y402-L408 HydrophobicContact CE1-CD2 3.71Å; Y402-F451 VanDerWaalsContact CB-CG 3.5Å; Y402-F451 HydrophobicContact CD1-CB 4.14Å; Y402-F451 HydrophobicContact CD1-CD2 4.35Å; Y402-F451 HydrophobicContact CD1-CG 4.24Å; Y402-F451 HydrophobicContact CD2-CD2 4.48Å; Y402-F451 HydrophobicContact CG-CB 4.44Å; Y402-F451 AromaticContact CG-CD2 3.96Å; Y402-F451 HydrophobicContact CG-CD2 3.96Å; Y402-F451 HydrophobicContact CG-CE2 4.42Å; Y402-F451 HydrophobicContact CG-CG 4.04Å; Y402-A490 WeakPolarHBondContact CE2-O 3.42Å; Y402-A490 PolarHBondContact OH-O 3.13Å; Y402-F492 VanDerWaalsContact CE2-C 3.49Å; Y402-A541 PolarHBondContact N-O 2.59Å; Y402-A541 WeakPolarHBondContact O-CB 3.04Å; Y402-I543 HydrophobicContact CD2-CD1 4.07Å; Y402-I543 HydrophobicContact CD2-CG1 4.05Å; Y402-I543 HydrophobicContact CE1-CD1 4.49Å; Y402-I543 HydrophobicContact CE2-CD1 3.55Å; Y402-I543 HydrophobicContact CE2-CG1 3.84Å |
| 403 | V | 85.9 | Confident | 80.5 | Confident | 77 Ų | 77 | 47 Ų | 47 | 47% | 0.467 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -96.6 | 134.1 | 172 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | S397 G405 M406 | S397-V403 PolarHBondContact O-N 3.43Å; V403-G405 PolarHBondContact O-N 2.74Å; V403-M406 HydrophobicContact CB-CG 3.8Å; V403-M406 HydrophobicContact CG1-CG 4.09Å; V403-M406 WeakPolarHBondContact O-CB 3.48Å; V403-M406 PolarHBondContact O-N 3.37Å; V403-M406 VanDerWaalsContact O-N 3.15Å |
| 404 | V | 87.2 | Confident | 82.1 | Confident | 101 Ų | 101 | 46.2 Ų | 46.2 | 61% | 0.612 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 130.9 | 179.5 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | F451 | V404-F451 CarbonylContact C-O 3.54Å; V404-F451 WeakPolarHBondContact CA-O 3.21Å; V404-F451 HydrophobicContact CG2-CD1 4.26Å; V404-F451 HydrophobicContact CG2-CE1 4.32Å |
| 405 | G | 81.4 | Confident | 83.2 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 24% | 0.237 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | -3.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V403 F451 | V403-G405 PolarHBondContact O-N 2.74Å; G405-F451 PolarHBondContact N-O 2.94Å |
| 406 | M | 83.8 | Confident | 83.8 | Confident | 59 Ų | 59 | 54.6 Ų | 54.6 | 29% | 0.291 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -85.2 | 145.9 | 171.6 | -62.2 | -61.5 | -72.7 | 0 | 0 | 111.2 | H395 V403 L450 F451 | H395-M406 WeakPolarHBondContact NE2-CE 3.3Å; V403-M406 HydrophobicContact CB-CG 3.8Å; V403-M406 HydrophobicContact CG1-CG 4.09Å; V403-M406 WeakPolarHBondContact O-CB 3.48Å; V403-M406 PolarHBondContact O-N 3.37Å; V403-M406 VanDerWaalsContact O-N 3.15Å; M406-L450 WeakPolarHBondContact O-CA 3.26Å; M406-F451 PolarHBondContact O-N 3.27Å |
| 407 | P | 87.4 | Confident | 84.2 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 8% | 0.084 | 28% | 0.284 | C | S | . | . | B | Isolated β-bridge | trans | -58.9 | 150.2 | 178.3 | -25.5 | 35.3 | 0 | 0 | 0 | 113.5 | S397 L424 P448 V449 L450 | S397-P407 WeakPolarHBondContact CB-O 3.3Å; S397-P407 PolarHBondContact OG-O 3.07Å; P407-L424 HydrophobicContact CB-CD2 3.96Å; P407-L424 HydrophobicContact CG-CD1 4.29Å; P407-L424 HydrophobicContact CG-CD2 3.8Å; P407-P448 HydrophobicContact CB-CB 4.18Å; P407-V449 CarbonylContact C-O 3.42Å; P407-V449 WeakPolarHBondContact CA-O 2.92Å; P407-L450 HydrophobicContact CB-CD2 4.37Å; P407-L450 HydrophobicContact CG-CD2 3.97Å |
| 408 | L | 90.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -73.6 | 129.1 | 170.9 | -63.5 | -171.3 | 0 | 0 | 0 | 111.4 | Y402 S410 L428 V449 F451 V489 I528 I543 F575 | Y402-L408 HydrophobicContact CD1-CD2 4.05Å; Y402-L408 HydrophobicContact CE1-CD2 3.71Å; L408-S410 PolarHBondContact O-N 2.76Å; L408-L428 HydrophobicContact CD1-CD2 4.21Å; L408-V449 HydrophobicContact CD1-CB 4.2Å; L408-V449 HydrophobicContact CD1-CG1 3.58Å; L408-V449 HydrophobicContact CG-CB 4.34Å; L408-V449 HydrophobicContact CG-CG1 4Å; L408-V449 PolarHBondContact N-O 2.72Å; L408-F451 HydrophobicContact CD2-CB 3.87Å; L408-F451 HydrophobicContact CD2-CD2 4.08Å; L408-F451 HydrophobicContact CD2-CG 4.47Å; L408-V489 HydrophobicContact CB-CG1 4.25Å; L408-V489 HydrophobicContact CD1-CG1 4.49Å; L408-I528 HydrophobicContact CD1-CD1 3.42Å; L408-I528 VanDerWaalsContact CD1-CD1 3.42Å; L408-I543 HydrophobicContact CD1-CD1 4.23Å; L408-I543 HydrophobicContact CD2-CD1 3.62Å; L408-F575 HydrophobicContact CD1-CE1 4.39Å; L408-F575 HydrophobicContact CD1-CZ 4.27Å |
| 409 | M | 88.3 | Confident | 84.3 | Confident | 9 Ų | 9 | 52.3 Ų | 52.3 | 4% | 0.044 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 117.5 | 171.8 | -62.7 | -167.8 | -57.3 | 0 | 0 | 110.2 | H395 Y396 S397 R420 V489 A490 F492 G493 | H395-M409 VanDerWaalsContact O-SD 3.4Å; Y396-M409 HydrophobicContact CD1-SD 4.38Å; S397-M409 WeakPolarHBondContact OG-CG 3.37Å; M409-R420 PolarHBondContact SD-NH1 2.72Å; M409-R420 VanDerWaalsContact SD-NH1 3.35Å; M409-V489 CarbonylContact O-C 3.5Å; M409-V489 VanDerWaalsContact O-CA 3.3Å; M409-V489 WeakPolarHBondContact O-CA 3.49Å; M409-V489 WeakPolarHBondContact O-CG1 3.24Å; M409-A490 HydrophobicContact CB-CB 4Å; M409-A490 HydrophobicContact CE-CB 3.6Å; M409-A490 PolarHBondContact O-N 3Å; M409-F492 WeakPolarHBondContact CE-O 3.38Å; M409-G493 WeakPolarHBondContact CE-O 3.35Å; M409-G493 VanDerWaalsContact SD-O 3.36Å |
| 410 | S | 89.8 | Confident | 84 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.028 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 154.9 | -179.4 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | L408 R420 T427 L428 Y488 | L408-S410 PolarHBondContact O-N 2.76Å; S410-R420 WeakPolarHBondContact O-CB 3.28Å; S410-T427 VanDerWaalsContact OG-CA 3.32Å; S410-T427 WeakPolarHBondContact OG-CA 3.42Å; S410-L428 PolarHBondContact OG-N 2.8Å; S410-Y488 CarbonylContact C-O 3.51Å; S410-Y488 WeakPolarHBondContact CA-O 3.23Å; S410-Y488 WeakPolarHBondContact CB-O 3.42Å |
| 411 | G | 88.9 | Confident | 83.6 | Confident | 3 Ų | 3 | 48 Ų | 48 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | -178.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S419 Q487 Y488 | G411-S419 CarbonylContact C-O 3.54Å; G411-S419 VanDerWaalsContact CA-O 3.26Å; G411-S419 WeakPolarHBondContact CA-O 3.35Å; G411-Q487 PolarHBondContact O-N 2.86Å; G411-Y488 PolarHBondContact N-O 2.81Å; G411-Y488 PolarHBondContact O-N 2.75Å |
| 412 | D | 87.1 | Confident | 82.3 | Confident | 55 Ų | 55 | 53.2 Ų | 53.2 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 155.4 | -178.5 | -66.2 | -58.8 | 0 | 0 | 0 | 111 | A414 I418 S419 Q487 | D412-A414 PolarHBondContact O-N 3.28Å; D412-I418 CarbonylContact O-C 3.56Å; D412-I418 VanDerWaalsContact O-CA 3.32Å; D412-I418 WeakPolarHBondContact O-CA 3.47Å; D412-S419 PolarHBondContact N-O 2.91Å; D412-S419 PolarHBondContact O-N 3.2Å; D412-S419 PolarHBondContact O-OG 3.3Å; D412-Q487 WeakPolarHBondContact OD1-CG 3.08Å; D412-Q487 PolarHBondContact OD1-N 2.87Å |
| 413 | R | 84.6 | Confident | 81 | Confident | 168 Ų | 168 | 56.4 Ų | 56.4 | 63% | 0.634 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 119.8 | 179.7 | -166.4 | 174.1 | -171.8 | 178.8 | 3.2 | 110.6 | I418 Y488 | R413-I418 HydrophobicContact CB-CD1 4.5Å; R413-Y488 HydrophobicContact CB-CE2 3.92Å |
| 414 | A | 82.9 | Confident | 79.7 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 26% | 0.256 | 31% | 0.312 | S | S | . | . | trans | -101.5 | 177.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D412 D416 G417 | D412-A414 PolarHBondContact O-N 3.28Å; A414-D416 PolarHBondContact O-N 2.89Å; A414-G417 PolarHBondContact N-O 2.89Å | ||
| 415 | T | 75.3 | Confident | 78.2 | Confident | 151 Ų | 151 | 58.8 Ų | 58.8 | 93% | 0.926 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -64.4 | -26.5 | -179.7 | 42.2 | 0 | 0 | 0 | 0 | 113.7 | ||
| 416 | D | 74.9 | Confident | 77.4 | Confident | 135 Ų | 135 | 60.7 Ų | 60.7 | 72% | 0.722 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -123.6 | 6.5 | -171.2 | 56.3 | -20.7 | 0 | 0 | 0 | 113.5 | A414 | A414-D416 PolarHBondContact O-N 2.89Š|
| 417 | G | 81.8 | Confident | 77.1 | Confident | 7 Ų | 7 | 58.4 Ų | 58.4 | 7% | 0.072 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 157.1 | -135.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A414 | A414-G417 PolarHBondContact N-O 2.89Š|
| 418 | I | 83.5 | Confident | 77.2 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 126 | 172.2 | -61.1 | -63.4 | 0 | 0 | 0 | 109.5 | D412 R413 Y488 L497 W503 | D412-I418 CarbonylContact O-C 3.56Å; D412-I418 VanDerWaalsContact O-CA 3.32Å; D412-I418 WeakPolarHBondContact O-CA 3.47Å; R413-I418 HydrophobicContact CB-CD1 4.5Å; I418-Y488 HydrophobicContact CD1-CD2 4.23Å; I418-Y488 HydrophobicContact CD1-CG 4.24Å; I418-L497 HydrophobicContact CB-CD2 4.49Å; I418-L497 HydrophobicContact CG2-CD2 4.44Å; I418-L497 PolarHBondContact N-O 2.95Å; I418-L497 WeakPolarHBondContact O-CB 3.41Å; I418-L497 WeakPolarHBondContact O-CD2 3.5Å; I418-W503 HydrophobicContact CB-CD2 4.17Å; I418-W503 HydrophobicContact CB-CZ2 4.16Å; I418-W503 HydrophobicContact CD1-CB 4.45Å; I418-W503 HydrophobicContact CD1-CD2 4.46Å; I418-W503 HydrophobicContact CD1-CG 4.26Å; I418-W503 HydrophobicContact CG1-CB 4.33Å; I418-W503 HydrophobicContact CG1-CD2 3.7Å; I418-W503 HydrophobicContact CG1-CE3 4.36Å; I418-W503 HydrophobicContact CG1-CG 3.65Å; I418-W503 HydrophobicContact CG2-CD2 3.97Å; I418-W503 HydrophobicContact CG2-CE3 3.9Å; I418-W503 HydrophobicContact CG2-CH2 3.82Å; I418-W503 HydrophobicContact CG2-CZ2 3.89Å; I418-W503 HydrophobicContact CG2-CZ3 3.83Å |
| 419 | S | 81.6 | Confident | 77.2 | Confident | 59 Ų | 59 | 59 Ų | 59 | 41% | 0.413 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 134.7 | 167.1 | 56.7 | 0 | 0 | 0 | 0 | 109.6 | G411 D412 | G411-S419 CarbonylContact C-O 3.54Å; G411-S419 VanDerWaalsContact CA-O 3.26Å; G411-S419 WeakPolarHBondContact CA-O 3.35Å; D412-S419 PolarHBondContact N-O 2.91Å; D412-S419 PolarHBondContact O-N 3.2Å; D412-S419 PolarHBondContact O-OG 3.3Å |
| 420 | R | 74.8 | Confident | 77.2 | Confident | 46 Ų | 46 | 58.6 Ų | 58.6 | 17% | 0.174 | 31% | 0.306 | C | S | . | . | trans | -126.6 | 149.7 | 174.9 | 66.2 | 171.6 | 167.7 | 159 | 86.1 | 111.9 | H395 M409 S410 L497 | H395-R420 PolarHBondContact O-NH1 2.93Å; H395-R420 VanDerWaalsContact O-NH1 3.14Å; H395-R420 PolarHBondContact O-NH2 2.9Å; M409-R420 PolarHBondContact SD-NH1 2.72Å; M409-R420 VanDerWaalsContact SD-NH1 3.35Å; S410-R420 WeakPolarHBondContact O-CB 3.28Å; R420-L497 HydrophobicContact CB-CD2 4.26Å; R420-L497 HydrophobicContact CG-CD1 4.26Å; R420-L497 HydrophobicContact CG-CD2 3.69Å | ||
| 421 | S | 67.3 | Low | 77.3 | Confident | 45 Ų | 45 | 58.6 Ų | 58.6 | 32% | 0.315 | 31% | 0.306 | S | S | . | . | trans | -76.5 | 143 | 167.9 | -173.5 | 0 | 0 | 0 | 0 | 110.5 | N423 D426 | S421-N423 VanDerWaalsContact C-N 3.29Å; S421-N423 PolarHBondContact OG-N 3.35Å; S421-N423 VanDerWaalsContact OG-N 3.14Å; S421-D426 VanDerWaalsContact OG-CB 3.29Å; S421-D426 WeakPolarHBondContact OG-CB 3.34Å; S421-D426 PolarHBondContact OG-OD2 3Å | ||
| 422 | I | 62.3 | Low | 77.2 | Confident | 113 Ų | 113 | 61.9 Ų | 61.9 | 58% | 0.579 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -78.9 | -21.9 | 172.8 | -55.6 | 145.4 | 0 | 0 | 0 | 109.9 | P392 | P392-I422 HydrophobicContact CB-CD1 3.39Å; P392-I422 HydrophobicContact CB-CG1 3.93Å; P392-I422 HydrophobicContact CG-CD1 3.45Å; P392-I422 VanDerWaalsContact CG-CD1 3.45Å; P392-I422 HydrophobicContact CG-CG1 4.13Å |
| 423 | N | 61.3 | Low | 77.1 | Confident | 79 Ų | 79 | 62.3 Ų | 62.3 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -83.3 | 121.1 | 179.8 | -170 | -20.5 | 0 | 0 | 0 | 110.3 | S421 R425 D426 T427 | S421-N423 VanDerWaalsContact C-N 3.29Å; S421-N423 PolarHBondContact OG-N 3.35Å; S421-N423 VanDerWaalsContact OG-N 3.14Å; N423-R425 PolarHBondContact O-N 3.14Å; N423-R425 VanDerWaalsContact O-N 3.07Å; N423-R425 WeakPolarHBondContact OD1-CB 3.15Å; N423-R425 PolarHBondContact OD1-N 2.91Å; N423-D426 WeakPolarHBondContact CB-OD2 3.42Å; N423-D426 PolarHBondContact O-N 3.34Å; N423-T427 PolarHBondContact O-N 2.72Å |
| 424 | L | 59.2 | Low | 76.8 | Confident | 72 Ų | 72 | 55.8 Ų | 55.8 | 38% | 0.377 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -57.6 | -23.9 | 177.1 | -65.5 | 176.4 | 0 | 0 | 0 | 113.1 | P407 D426 T427 | P407-L424 HydrophobicContact CB-CD2 3.96Å; P407-L424 HydrophobicContact CG-CD1 4.29Å; P407-L424 HydrophobicContact CG-CD2 3.8Å; L424-D426 VanDerWaalsContact C-N 3.27Å; L424-D426 PolarHBondContact O-N 2.86Å; L424-T427 HydrophobicContact CD2-CG2 4.45Å; L424-T427 PolarHBondContact O-N 2.9Å; L424-T427 PolarHBondContact O-OG1 3.06Å |
| 425 | R | 55.9 | Low | 76.6 | Confident | 156 Ų | 156 | 63.5 Ų | 63.5 | 59% | 0.589 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -69.9 | -24.9 | 175.6 | -64.4 | -172.5 | 177.9 | -80.9 | 2.6 | 113.5 | N423 | N423-R425 PolarHBondContact O-N 3.14Å; N423-R425 VanDerWaalsContact O-N 3.07Å; N423-R425 WeakPolarHBondContact OD1-CB 3.15Å; N423-R425 PolarHBondContact OD1-N 2.91Å |
| 426 | D | 64.6 | Low | 76.6 | Confident | 62 Ų | 62 | 62.4 Ų | 62.4 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -95.4 | 0.3 | 178.2 | -57.2 | -28.3 | 0 | 0 | 0 | 111.7 | S421 N423 L424 | S421-D426 VanDerWaalsContact OG-CB 3.29Å; S421-D426 WeakPolarHBondContact OG-CB 3.34Å; S421-D426 PolarHBondContact OG-OD2 3Å; N423-D426 WeakPolarHBondContact CB-OD2 3.42Å; N423-D426 PolarHBondContact O-N 3.34Å; L424-D426 VanDerWaalsContact C-N 3.27Å; L424-D426 PolarHBondContact O-N 2.86Å |
| 427 | T | 76.9 | Confident | 76.9 | Confident | 11 Ų | 11 | 61.6 Ų | 61.6 | 7% | 0.067 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -80.9 | 169.1 | 168.6 | 68.9 | 0 | 0 | 0 | 0 | 110.6 | S410 N423 L424 S429 | S410-T427 VanDerWaalsContact OG-CA 3.32Å; S410-T427 WeakPolarHBondContact OG-CA 3.42Å; N423-T427 PolarHBondContact O-N 2.72Å; L424-T427 HydrophobicContact CD2-CG2 4.45Å; L424-T427 PolarHBondContact O-N 2.9Å; L424-T427 PolarHBondContact O-OG1 3.06Å; T427-S429 WeakPolarHBondContact O-CB 3.36Å; T427-S429 PolarHBondContact O-N 2.83Å; T427-S429 PolarHBondContact O-OG 2.82Å |
| 428 | L | 89.3 | Confident | 77.2 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 7% | 0.068 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -50.6 | 113.4 | 176.5 | -177.7 | 65.2 | 0 | 0 | 0 | 109.9 | L408 S410 V449 P486 V489 I506 L526 | L408-L428 HydrophobicContact CD1-CD2 4.21Å; S410-L428 PolarHBondContact OG-N 2.8Å; L428-V449 HydrophobicContact CD2-CG2 4.44Å; L428-V449 HydrophobicContact CG-CB 4.49Å; L428-V449 HydrophobicContact CG-CG2 4.06Å; L428-V449 PolarHBondContact O-N 3.03Å; L428-P486 HydrophobicContact CB-CG 3.98Å; L428-P486 HydrophobicContact CD1-CG 4.13Å; L428-V489 HydrophobicContact CD2-CG2 3.87Å; L428-I506 HydrophobicContact CD1-CD1 3.98Å; L428-I506 HydrophobicContact CD2-CD1 4.38Å; L428-L526 HydrophobicContact CD1-CD1 3.98Å; L428-L526 HydrophobicContact CD2-CD1 4.19Å; L428-L526 HydrophobicContact CG-CD1 4.17Å |
| 429 | S | 90.1 | Very high | 77.3 | Confident | 14 Ų | 14 | 62 Ų | 62 | 10% | 0.098 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 152.4 | -168.9 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | T427 R446 S447 | T427-S429 WeakPolarHBondContact O-CB 3.36Å; T427-S429 PolarHBondContact O-N 2.83Å; T427-S429 PolarHBondContact O-OG 2.82Å; S429-R446 PolarHBondContact O-NH2 2.91Å; S429-R446 PolarHBondContact OG-NE 2.91Å; S429-S447 CarbonylContact C-O 3.43Å; S429-S447 WeakPolarHBondContact CA-O 3.38Å; S429-S447 VanDerWaalsContact CB-O 3.25Å; S429-S447 WeakPolarHBondContact CB-O 3.3Å |
| 430 | L | 90.1 | Very high | 77.5 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 154.9 | 175.5 | -64.5 | 170.6 | 0 | 0 | 0 | 110.4 | R446 S447 V449 Y455 L524 L526 S571 V573 | L430-R446 VanDerWaalsContact O-CA 3.24Å; L430-R446 WeakPolarHBondContact O-CA 3.25Å; L430-R446 WeakPolarHBondContact O-CB 3.5Å; L430-S447 PolarHBondContact N-O 2.85Å; L430-S447 PolarHBondContact O-N 3.32Å; L430-V449 HydrophobicContact CD1-CG2 4.15Å; L430-V449 HydrophobicContact CG-CG2 3.87Å; L430-Y455 HydrophobicContact CB-CD1 4.46Å; L430-Y455 HydrophobicContact CD1-CD1 3.76Å; L430-L524 HydrophobicContact CD2-CD2 4.06Å; L430-L526 HydrophobicContact CD2-CD1 3.9Å; L430-L526 HydrophobicContact CD2-CG 4.35Å; L430-S571 VanDerWaalsContact CD2-OG 3.23Å; L430-S571 WeakPolarHBondContact CD2-OG 3.17Å; L430-V573 HydrophobicContact CD1-CB 3.81Å; L430-V573 HydrophobicContact CD1-CG1 3.49Å; L430-V573 VanDerWaalsContact CD1-CG1 3.49Å |
| 431 | L | 90.1 | Very high | 77.8 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 142.9 | 172.3 | -177.9 | 65.5 | 0 | 0 | 0 | 109.6 | H444 S457 C459 V479 | L431-H444 HydrophobicContact CD1-CB 3.86Å; L431-S457 VanDerWaalsContact O-CB 3.23Å; L431-S457 WeakPolarHBondContact O-CB 3Å; L431-S457 PolarHBondContact O-OG 2.65Å; L431-C459 HydrophobicContact CD2-CB 4.27Å; L431-C459 VanDerWaalsContact CD2-SG 3.54Å; L431-V479 HydrophobicContact CD1-CG1 4.02Å; L431-V479 HydrophobicContact CD2-CG1 4.07Å |
| 432 | Q | 87.4 | Confident | 78 | Confident | 72 Ų | 72 | 66.2 Ų | 66.2 | 34% | 0.336 | 34% | 0.343 | S | S | . | . | trans | -108.5 | 139.1 | 170.8 | -167.9 | 174.7 | 6.9 | 0 | 0 | 109.6 | Q445 | Q432-Q445 HydrophobicContact CB-CB 4.1Å; Q432-Q445 WeakPolarHBondContact CB-O 3.42Å; Q432-Q445 PolarHBondContact N-O 3.39Å | ||
| 433 | S | 84.5 | Confident | 78.5 | Confident | 65 Ų | 65 | 66.8 Ų | 66.8 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | trans | -68.8 | 132.6 | 176.1 | -61.4 | 0 | 0 | 0 | 0 | 110.7 | G458 | S433-G458 WeakPolarHBondContact CB-O 3.48Å; S433-G458 PolarHBondContact OG-N 3.1Å; S433-G458 VanDerWaalsContact OG-N 3.09Å; S433-G458 PolarHBondContact OG-O 3.21Å | ||
| 434 | T | 78.9 | Confident | 79.5 | Confident | 31 Ų | 31 | 66 Ų | 66 | 19% | 0.19 | 35% | 0.348 | C | S | . | . | trans | -110.1 | 164.7 | 177.6 | 59.1 | 0 | 0 | 0 | 0 | 111 | D436 Q437 | T434-D436 VanDerWaalsContact C-N 3.28Å; T434-D436 PolarHBondContact O-N 2.81Å; T434-Q437 WeakPolarHBondContact O-CG 3.41Å; T434-Q437 PolarHBondContact O-N 2.88Å; T434-Q437 VanDerWaalsContact O-N 3.14Å | ||
| 435 | E | 78.2 | Confident | 80.6 | Confident | 193 Ų | 193 | 67.6 Ų | 67.6 | 90% | 0.902 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -36.6 | 179.9 | -66.6 | -172.7 | 166.8 | 0 | 0 | 113 | Q437 | E435-Q437 PolarHBondContact O-N 3.29Š|
| 436 | D | 76.3 | Confident | 81.9 | Confident | 128 Ų | 128 | 61.3 Ų | 61.3 | 68% | 0.684 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70 | -18.5 | 179.6 | -63.4 | -50.4 | 0 | 0 | 0 | 113 | T434 D438 | T434-D436 VanDerWaalsContact C-N 3.28Å; T434-D436 PolarHBondContact O-N 2.81Å; D436-D438 PolarHBondContact O-N 2.85Å |
| 437 | Q | 81.7 | Confident | 82.9 | Confident | 117 Ų | 117 | 59.5 Ų | 59.5 | 55% | 0.547 | 32% | 0.322 | S | S | . | . | trans | 50.9 | 17.4 | 179.3 | -61.2 | -174.3 | 1.6 | 0 | 0 | 115.5 | T434 E435 T460 | T434-Q437 WeakPolarHBondContact O-CG 3.41Å; T434-Q437 PolarHBondContact O-N 2.88Å; T434-Q437 VanDerWaalsContact O-N 3.14Å; E435-Q437 PolarHBondContact O-N 3.29Å; Q437-T460 WeakPolarHBondContact O-CA 3.37Å; Q437-T460 WeakPolarHBondContact O-CB 3.43Å; Q437-T460 PolarHBondContact O-N 2.56Å; Q437-T460 PolarHBondContact O-OG1 2.77Å | ||
| 438 | D | 86.3 | Confident | 83.4 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 11% | 0.112 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -104.1 | 123 | -174.5 | -175 | -22.7 | 0 | 0 | 0 | 110.6 | D436 L440 K441 | D436-D438 PolarHBondContact O-N 2.85Å; D438-L440 VanDerWaalsContact C-N 3.28Å; D438-L440 PolarHBondContact O-N 3.21Å; D438-L440 PolarHBondContact OD1-N 3.16Å; D438-K441 HydrophobicContact CB-CB 4.12Å; D438-K441 HydrophobicContact CB-CD 4.04Å; D438-K441 HydrophobicContact CB-CG 4.2Å; D438-K441 WeakPolarHBondContact OD2-CD 3.29Å; D438-K441 WeakPolarHBondContact OD2-CE 3.33Å; D438-K441 WeakPolarHBondContact OD2-CG 3.4Å; D438-K441 IonicContact OD2-NZ 2.98Å; D438-K441 PolarHBondContact OD2-NZ 2.94Å |
| 439 | C | 87.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -20.6 | -177.8 | -61.4 | 0 | 0 | 0 | 0 | 114.2 | H444 C459 T460 L476 V569 | C439-H444 PolarHBondContact O-CE1 3.29Å; C439-H444 PolarHBondContact O-NE2 3.19Å; C439-C459 WeakPolarHBondContact CA-SG 3.06Å; C439-C459 HydrophobicContact CB-CB 4.05Å; C439-C459 WeakPolarHBondContact CB-SG 3.3Å; C439-C459 WeakPolarHBondContact SG-CB 3.12Å; C439-C459 CovalentContact SG-SG 2.03Å; C439-C459 PolarHBondContact SG-SG 2.78Å; C439-T460 PolarHBondContact N-O 2.03Å; C439-T460 VanDerWaalsContact SG-C 3.51Å; C439-T460 PolarHBondContact SG-N 3.13Å; C439-T460 VanDerWaalsContact SG-N 3.39Å; C439-T460 PolarHBondContact SG-O 2.77Å; C439-L476 HydrophobicContact CB-CD2 3.65Å; C439-V569 VanDerWaalsContact SG-CB 3.53Å; C439-V569 VanDerWaalsContact SG-CG2 3.59Å |
| 440 | L | 85.5 | Confident | 83.6 | Confident | 55 Ų | 55 | 62.2 Ų | 62.2 | 29% | 0.288 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -7.9 | -176.8 | -61.3 | -179.3 | 0 | 0 | 0 | 112.7 | D438 L461 D465 | D438-L440 VanDerWaalsContact C-N 3.28Å; D438-L440 PolarHBondContact O-N 3.21Å; D438-L440 PolarHBondContact OD1-N 3.16Å; L440-L461 HydrophobicContact CD1-CD1 3.7Å; L440-L461 HydrophobicContact CD2-CD1 4.28Å; L440-L461 HydrophobicContact CG-CD1 3.82Å; L440-D465 HydrophobicContact CD1-CB 3.64Å |
| 441 | K | 81.3 | Confident | 83.7 | Confident | 128 Ų | 128 | 62.3 Ų | 62.3 | 56% | 0.557 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -94.2 | 111 | 175 | -72.9 | 179 | -172.7 | 142.8 | 0 | 111.2 | D438 H444 | D438-K441 HydrophobicContact CB-CB 4.12Å; D438-K441 HydrophobicContact CB-CD 4.04Å; D438-K441 HydrophobicContact CB-CG 4.2Å; D438-K441 WeakPolarHBondContact OD2-CD 3.29Å; D438-K441 WeakPolarHBondContact OD2-CE 3.33Å; D438-K441 WeakPolarHBondContact OD2-CG 3.4Å; D438-K441 IonicContact OD2-NZ 2.98Å; D438-K441 PolarHBondContact OD2-NZ 2.94Å; K441-H444 PolarHBondContact O-CE1 2.77Å |
| 442 | G | 69.9 | Low | 83.7 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -84.9 | 165.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 443 | P | 74.1 | Confident | 83.8 | Confident | 125 Ų | 125 | 64.6 Ų | 64.6 | 81% | 0.812 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | cis | -85.6 | 136.4 | 4 | 31.5 | -32.9 | 0 | 0 | 0 | 113.7 | ||
| 444 | H | 80.8 | Confident | 84.2 | Confident | 61 Ų | 61 | 66.8 Ų | 66.8 | 28% | 0.282 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -81.9 | 126.2 | 178.4 | -57.6 | -64.4 | 0 | 0 | 0 | 111.5 | L431 C439 K441 | L431-H444 HydrophobicContact CD1-CB 3.86Å; C439-H444 PolarHBondContact O-CE1 3.29Å; C439-H444 PolarHBondContact O-NE2 3.19Å; K441-H444 PolarHBondContact O-CE1 2.77Å |
| 445 | Q | 82.6 | Confident | 84.7 | Confident | 107 Ų | 107 | 69.8 Ų | 69.8 | 50% | 0.5 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -79.4 | 146.1 | 171 | -63.4 | -177.2 | 18.5 | 0 | 0 | 109.9 | Q432 | Q432-Q445 HydrophobicContact CB-CB 4.1Å; Q432-Q445 WeakPolarHBondContact CB-O 3.42Å; Q432-Q445 PolarHBondContact N-O 3.39Å |
| 446 | R | 84.4 | Confident | 85.4 | Confident | 23 Ų | 23 | 66.9 Ų | 66.9 | 9% | 0.087 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 145.9 | 178.9 | -55.9 | -169.9 | 75 | 82.8 | 0.4 | 110.4 | S429 L430 V479 L480 | S429-R446 PolarHBondContact O-NH2 2.91Å; S429-R446 PolarHBondContact OG-NE 2.91Å; L430-R446 VanDerWaalsContact O-CA 3.24Å; L430-R446 WeakPolarHBondContact O-CA 3.25Å; L430-R446 WeakPolarHBondContact O-CB 3.5Å; R446-V479 PolarHBondContact NH1-O 2.99Å; R446-L480 PolarHBondContact NH2-O 3.09Å |
| 447 | S | 84.1 | Confident | 86.1 | Confident | 25 Ų | 25 | 61.3 Ų | 61.3 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 136.6 | 175.7 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | S429 L430 | S429-S447 CarbonylContact C-O 3.43Å; S429-S447 WeakPolarHBondContact CA-O 3.38Å; S429-S447 VanDerWaalsContact CB-O 3.25Å; S429-S447 WeakPolarHBondContact CB-O 3.3Å; L430-S447 PolarHBondContact N-O 2.85Å; L430-S447 PolarHBondContact O-N 3.32Å |
| 448 | P | 88.9 | Confident | 86.5 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 25% | 0.247 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 148.3 | 175.1 | 27.8 | -34.4 | 0 | 0 | 0 | 110.7 | P407 L450 | P407-P448 HydrophobicContact CB-CB 4.18Å; P448-L450 HydrophobicContact CG-CD2 4.15Å; P448-L450 PolarHBondContact O-N 3.36Å |
| 449 | V | 91.3 | Very high | 86.7 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 121.4 | 172.8 | 176.3 | 0 | 0 | 0 | 0 | 108.6 | P407 L408 L428 L430 L526 I528 V573 F575 | P407-V449 CarbonylContact C-O 3.42Å; P407-V449 WeakPolarHBondContact CA-O 2.92Å; L408-V449 HydrophobicContact CD1-CB 4.2Å; L408-V449 HydrophobicContact CD1-CG1 3.58Å; L408-V449 HydrophobicContact CG-CB 4.34Å; L408-V449 HydrophobicContact CG-CG1 4Å; L408-V449 PolarHBondContact N-O 2.72Å; L428-V449 HydrophobicContact CD2-CG2 4.44Å; L428-V449 HydrophobicContact CG-CB 4.49Å; L428-V449 HydrophobicContact CG-CG2 4.06Å; L428-V449 PolarHBondContact O-N 3.03Å; L430-V449 HydrophobicContact CD1-CG2 4.15Å; L430-V449 HydrophobicContact CG-CG2 3.87Å; V449-L526 HydrophobicContact CG2-CD1 4.12Å; V449-I528 HydrophobicContact CG1-CD1 3.99Å; V449-V573 HydrophobicContact CG1-CB 4.48Å; V449-V573 HydrophobicContact CG1-CG1 4.33Å; V449-V573 HydrophobicContact CG1-CG2 3.91Å; V449-F575 HydrophobicContact CG1-CE2 4.29Å; V449-F575 HydrophobicContact CG1-CZ 3.91Å |
| 450 | L | 90.8 | Very high | 86.8 | Confident | 53 Ų | 53 | 58.3 Ų | 58.3 | 28% | 0.277 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -98.7 | 131.9 | -178.5 | -54.1 | -176.5 | 0 | 0 | 0 | 110.4 | M406 P407 P448 G452 Q453 F575 | M406-L450 WeakPolarHBondContact O-CA 3.26Å; P407-L450 HydrophobicContact CB-CD2 4.37Å; P407-L450 HydrophobicContact CG-CD2 3.97Å; P448-L450 HydrophobicContact CG-CD2 4.15Å; P448-L450 PolarHBondContact O-N 3.36Å; L450-G452 PolarHBondContact O-N 3.09Å; L450-Q453 HydrophobicContact CB-CB 4.4Å; L450-Q453 PolarHBondContact O-N 2.89Å; L450-F575 WeakPolarHBondContact O-CE2 3.25Å; L450-F575 WeakPolarHBondContact O-CZ 3.11Å |
| 451 | F | 93.8 | Very high | 86.9 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 131.3 | -177.3 | -179.1 | -102.4 | 0 | 0 | 0 | 112.1 | Y402 V404 G405 M406 L408 Q453 W530 A541 I543 F575 | Y402-F451 VanDerWaalsContact CB-CG 3.5Å; Y402-F451 HydrophobicContact CD1-CB 4.14Å; Y402-F451 HydrophobicContact CD1-CD2 4.35Å; Y402-F451 HydrophobicContact CD1-CG 4.24Å; Y402-F451 HydrophobicContact CD2-CD2 4.48Å; Y402-F451 HydrophobicContact CG-CB 4.44Å; Y402-F451 AromaticContact CG-CD2 3.96Å; Y402-F451 HydrophobicContact CG-CD2 3.96Å; Y402-F451 HydrophobicContact CG-CE2 4.42Å; Y402-F451 HydrophobicContact CG-CG 4.04Å; V404-F451 CarbonylContact C-O 3.54Å; V404-F451 WeakPolarHBondContact CA-O 3.21Å; V404-F451 HydrophobicContact CG2-CD1 4.26Å; V404-F451 HydrophobicContact CG2-CE1 4.32Å; G405-F451 PolarHBondContact N-O 2.94Å; M406-F451 PolarHBondContact O-N 3.27Å; L408-F451 HydrophobicContact CD2-CB 3.87Å; L408-F451 HydrophobicContact CD2-CD2 4.08Å; L408-F451 HydrophobicContact CD2-CG 4.47Å; F451-Q453 VanDerWaalsContact C-N 3.28Å; F451-Q453 PolarHBondContact O-N 2.99Å; F451-W530 HydrophobicContact CE2-CB 4.16Å; F451-W530 HydrophobicContact CE2-CD2 4.34Å; F451-W530 HydrophobicContact CE2-CG 4.16Å; F451-W530 HydrophobicContact CZ-CB 4.49Å; F451-W530 AromaticContact CZ-CD2 3.87Å; F451-W530 HydrophobicContact CZ-CD2 3.87Å; F451-W530 AromaticContact CZ-CE3 3.78Å; F451-W530 HydrophobicContact CZ-CE3 3.78Å; F451-W530 HydrophobicContact CZ-CG 4.19Å; F451-W530 HydrophobicContact CZ-CZ3 4.3Å; F451-A541 HydrophobicContact CE1-CB 3.69Å; F451-A541 HydrophobicContact CZ-CB 3.59Å; F451-I543 HydrophobicContact CD2-CD1 4.48Å; F451-I543 HydrophobicContact CE2-CG1 4.29Å; F451-F575 HydrophobicContact CD2-CD1 4.15Å; F451-F575 AromaticContact CD2-CE1 3.7Å; F451-F575 HydrophobicContact CD2-CE1 3.7Å; F451-F575 HydrophobicContact CE2-CD1 4.25Å; F451-F575 HydrophobicContact CE2-CE1 4.23Å; F451-F575 HydrophobicContact CG-CE1 4.41Å |
| 452 | G | 89.2 | Confident | 86.9 | Confident | 33 Ų | 33 | 51 Ų | 51 | 34% | 0.34 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 14.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L450 | L450-G452 PolarHBondContact O-N 3.09Š|
| 453 | Q | 90.2 | Very high | 87.1 | Confident | 91 Ų | 91 | 49.8 Ų | 49.8 | 43% | 0.425 | 28% | 0.275 | S | S | . | . | trans | -121.5 | 109 | 176.2 | -62.4 | -172.9 | 23.1 | 0 | 0 | 110.4 | L450 F451 F575 | L450-Q453 HydrophobicContact CB-CB 4.4Å; L450-Q453 PolarHBondContact O-N 2.89Å; F451-Q453 VanDerWaalsContact C-N 3.28Å; F451-Q453 PolarHBondContact O-N 2.99Å; Q453-F575 WeakPolarHBondContact O-CE2 3.34Å | ||
| 454 | D | 92.5 | Very high | 86.8 | Confident | 111 Ų | 111 | 50.2 Ų | 50.2 | 59% | 0.594 | 27% | 0.267 | S | S | * | . | trans | -67.3 | 135.1 | 171.3 | -63.2 | -12.1 | 0 | 0 | 0 | 109.3 | V573 A574 F575 | D454-V573 WeakPolarHBondContact CA-O 3.34Å; D454-A574 WeakPolarHBondContact OD1-CA 3.28Å; D454-F575 PolarHBondContact OD1-N 3.47Å | ||
| 455 | Y | 89.6 | Confident | 86 | Confident | 94 Ų | 94 | 50.6 Ų | 50.6 | 37% | 0.369 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 142.7 | -175.1 | -178.5 | -102.2 | 0 | 0 | 0 | 111.1 | L430 S572 V573 | L430-Y455 HydrophobicContact CB-CD1 4.46Å; L430-Y455 HydrophobicContact CD1-CD1 3.76Å; Y455-S572 CarbonylContact O-C 3.57Å; Y455-S572 WeakPolarHBondContact O-CA 3.17Å; Y455-S572 WeakPolarHBondContact O-CB 2.9Å; Y455-V573 PolarHBondContact N-O 3.17Å; Y455-V573 VanDerWaalsContact N-O 3.15Å; Y455-V573 PolarHBondContact O-N 3.14Å |
| 456 | M | 92.1 | Very high | 85.2 | Confident | 131 Ų | 131 | 47.1 Ų | 47.1 | 65% | 0.645 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 137 | 177.3 | -179.4 | 179.2 | 70.1 | 0 | 0 | 110.5 | S571 | M456-S571 CarbonylContact C-O 3.54Å; M456-S571 WeakPolarHBondContact CA-O 3.12Å |
| 457 | S | 91.8 | Very high | 84.4 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 8% | 0.084 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 175 | 179.4 | 62.3 | 0 | 0 | 0 | 0 | 110.5 | L431 R570 S571 | L431-S457 VanDerWaalsContact O-CB 3.23Å; L431-S457 WeakPolarHBondContact O-CB 3Å; L431-S457 PolarHBondContact O-OG 2.65Å; S457-R570 WeakPolarHBondContact O-CA 3.3Å; S457-S571 PolarHBondContact N-O 3.39Å; S457-S571 PolarHBondContact O-N 3.5Å; S457-S571 VanDerWaalsContact O-O 3.12Å; S457-S571 PolarHBondContact OG-O 2.79Å |
| 458 | G | 89.8 | Confident | 84.1 | Confident | 19 Ų | 19 | 54.5 Ų | 54.5 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.8 | 174.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115 | S433 V569 | S433-G458 WeakPolarHBondContact CB-O 3.48Å; S433-G458 PolarHBondContact OG-N 3.1Å; S433-G458 VanDerWaalsContact OG-N 3.09Å; S433-G458 PolarHBondContact OG-O 3.21Å; G458-V569 CarbonylContact C-O 3.6Å; G458-V569 WeakPolarHBondContact CA-O 3.32Å |
| 459 | C | 91.1 | Very high | 83.6 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 7% | 0.074 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 178.4 | 171.5 | 56.7 | 0 | 0 | 0 | 0 | 108.3 | L431 C439 V569 | L431-C459 HydrophobicContact CD2-CB 4.27Å; L431-C459 VanDerWaalsContact CD2-SG 3.54Å; C439-C459 WeakPolarHBondContact CA-SG 3.06Å; C439-C459 HydrophobicContact CB-CB 4.05Å; C439-C459 WeakPolarHBondContact CB-SG 3.3Å; C439-C459 WeakPolarHBondContact SG-CB 3.12Å; C439-C459 CovalentContact SG-SG 2.03Å; C439-C459 PolarHBondContact SG-SG 2.78Å; C459-V569 PolarHBondContact N-O 3.39Å; C459-V569 PolarHBondContact O-N 3.09Å; C459-V569 VanDerWaalsContact O-O 3.13Å |
| 460 | T | 89.1 | Confident | 83.1 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 144.4 | 179.7 | 67.6 | 0 | 0 | 0 | 0 | 110.4 | Q437 C439 I566 V567 | Q437-T460 WeakPolarHBondContact O-CA 3.37Å; Q437-T460 WeakPolarHBondContact O-CB 3.43Å; Q437-T460 PolarHBondContact O-N 2.56Å; Q437-T460 PolarHBondContact O-OG1 2.77Å; C439-T460 PolarHBondContact N-O 2.03Å; C439-T460 VanDerWaalsContact SG-C 3.51Å; C439-T460 PolarHBondContact SG-N 3.13Å; C439-T460 VanDerWaalsContact SG-N 3.39Å; C439-T460 PolarHBondContact SG-O 2.77Å; T460-I566 VanDerWaalsContact CB-CG2 3.47Å; T460-I566 HydrophobicContact CG2-CG2 4.03Å; T460-V567 WeakPolarHBondContact CA-O 3.34Å |
| 461 | L | 86.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 122.5 | 178 | 176.9 | 71.9 | 0 | 0 | 0 | 108.5 | L440 I466 V472 L476 I520 I566 V567 V569 | L440-L461 HydrophobicContact CD1-CD1 3.7Å; L440-L461 HydrophobicContact CD2-CD1 4.28Å; L440-L461 HydrophobicContact CG-CD1 3.82Å; L461-I466 HydrophobicContact CD2-CD1 4Å; L461-V472 HydrophobicContact CD1-CG1 4.26Å; L461-V472 HydrophobicContact CD2-CG1 4.42Å; L461-L476 HydrophobicContact CD1-CD1 4.18Å; L461-L476 HydrophobicContact CD1-CD2 4.48Å; L461-L476 HydrophobicContact CD2-CD1 3.62Å; L461-L476 HydrophobicContact CG-CD1 4.46Å; L461-I520 HydrophobicContact CD2-CG2 4.18Å; L461-I566 WeakPolarHBondContact O-CA 3.21Å; L461-V567 PolarHBondContact N-O 3.38Å; L461-V567 PolarHBondContact O-N 2.65Å; L461-V569 HydrophobicContact CB-CG2 4.07Å |
| 462 | S | 82.6 | Confident | 82.2 | Confident | 28 Ų | 28 | 59.4 Ų | 59.4 | 20% | 0.196 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 131.3 | 170.3 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | E464 D465 | S462-E464 PolarHBondContact O-N 3.19Å; S462-E464 PolarHBondContact OG-N 3.11Å; S462-D465 WeakPolarHBondContact CB-OD2 3.43Å; S462-D465 WeakPolarHBondContact O-CB 3.37Å; S462-D465 PolarHBondContact O-N 2.82Å |
| 463 | L | 73 | Confident | 81.9 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -70 | -17.7 | 177.3 | -67.7 | 174 | 0 | 0 | 0 | 113 | D465 I466 L557 L560 S565 V567 | L463-D465 PolarHBondContact O-N 3.49Å; L463-I466 HydrophobicContact CD2-CD1 3.44Å; L463-I466 VanDerWaalsContact CD2-CD1 3.44Å; L463-I466 HydrophobicContact CD2-CG1 4.48Å; L463-I466 PolarHBondContact O-N 3.16Å; L463-L557 HydrophobicContact CD2-CD2 4.22Å; L463-L560 HydrophobicContact CD1-CB 3.71Å; L463-L560 HydrophobicContact CD1-CD1 3.66Å; L463-L560 HydrophobicContact CD1-CD2 4.14Å; L463-L560 HydrophobicContact CD1-CG 4.02Å; L463-L560 HydrophobicContact CD2-CD1 4.4Å; L463-S565 WeakPolarHBondContact CB-O 3.1Å; L463-S565 WeakPolarHBondContact CD1-O 3.41Å; L463-S565 VanDerWaalsContact CD1-OG 3.25Å; L463-S565 WeakPolarHBondContact CD1-OG 3.18Å; L463-S565 WeakPolarHBondContact CG-O 3.38Å; L463-S565 PolarHBondContact N-O 3.04Å; L463-V567 HydrophobicContact CD1-CG2 4.2Å; L463-V567 HydrophobicContact CD2-CG2 3.81Å; L463-V567 HydrophobicContact CG-CG2 3.97Å |
| 464 | E | 68.7 | Low | 81.7 | Confident | 134 Ų | 134 | 60.2 Ų | 60.2 | 63% | 0.626 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -64.5 | -25.6 | 173 | -65.7 | 174.2 | -154.3 | 0 | 0 | 111.7 | S462 I466 S564 | S462-E464 PolarHBondContact O-N 3.19Å; S462-E464 PolarHBondContact OG-N 3.11Å; E464-I466 VanDerWaalsContact C-N 3.26Å; E464-I466 PolarHBondContact O-N 3.36Å; E464-S564 WeakPolarHBondContact OE1-CB 3.4Å; E464-S564 PolarHBondContact OE1-OG 2.91Å |
| 465 | D | 63.5 | Low | 81.4 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -80.6 | -6.5 | 179.6 | -59.7 | -37.7 | 0 | 0 | 0 | 112.8 | L440 S462 L463 T467 | L440-D465 HydrophobicContact CD1-CB 3.64Å; S462-D465 WeakPolarHBondContact CB-OD2 3.43Å; S462-D465 WeakPolarHBondContact O-CB 3.37Å; S462-D465 PolarHBondContact O-N 2.82Å; L463-D465 PolarHBondContact O-N 3.49Å; D465-T467 VanDerWaalsContact C-N 3.3Å; D465-T467 PolarHBondContact O-N 2.89Å |
| 466 | I | 66.1 | Low | 81.3 | Confident | 34 Ų | 34 | 52.8 Ų | 52.8 | 17% | 0.174 | 30% | 0.298 | C | S | . | . | trans | -87.4 | 69.2 | -176.5 | -47.9 | -172.9 | 0 | 0 | 0 | 110.7 | L461 L463 E464 C469 V472 I520 | L461-I466 HydrophobicContact CD2-CD1 4Å; L463-I466 HydrophobicContact CD2-CD1 3.44Å; L463-I466 VanDerWaalsContact CD2-CD1 3.44Å; L463-I466 HydrophobicContact CD2-CG1 4.48Å; L463-I466 PolarHBondContact O-N 3.16Å; E464-I466 VanDerWaalsContact C-N 3.26Å; E464-I466 PolarHBondContact O-N 3.36Å; I466-C469 HydrophobicContact CG2-CB 4.37Å; I466-V472 HydrophobicContact CG1-CG1 4.36Å; I466-I520 HydrophobicContact CD1-CD1 3.67Å; I466-I520 HydrophobicContact CG2-CD1 4.4Å | ||
| 467 | T | 67.9 | Low | 81.1 | Confident | 135 Ų | 135 | 48.1 Ų | 48.1 | 83% | 0.828 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -81.7 | -33.4 | 173.6 | 54.7 | 0 | 0 | 0 | 0 | 112.3 | D465 | D465-T467 VanDerWaalsContact C-N 3.3Å; D465-T467 PolarHBondContact O-N 2.89Å |
| 468 | N | 78.1 | Confident | 81 | Confident | 69 Ų | 69 | 52.5 Ų | 52.5 | 37% | 0.369 | 30% | 0.298 | S | S | . | . | trans | -136.9 | 103.7 | 174.8 | -174.5 | -19.7 | 0 | 0 | 0 | 109.9 | S470 L471 V472 | N468-S470 VanDerWaalsContact C-N 3.27Å; N468-S470 PolarHBondContact O-N 2.9Å; N468-S470 PolarHBondContact OD1-N 2.81Å; N468-S470 PolarHBondContact OD1-OG 2.88Å; N468-L471 HydrophobicContact CB-CB 4.29Å; N468-L471 HydrophobicContact CB-CD1 4.04Å; N468-L471 HydrophobicContact CB-CG 4.25Å; N468-L471 PolarHBondContact O-N 3.12Å; N468-V472 PolarHBondContact O-N 2.93Å | ||
| 469 | C | 78.8 | Confident | 81 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 14% | 0.135 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.2 | -36.2 | -176 | 176 | 0 | 0 | 0 | 0 | 113.8 | I466 L471 V472 S473 C518 | I466-C469 HydrophobicContact CG2-CB 4.37Å; C469-L471 VanDerWaalsContact C-N 3.33Å; C469-L471 PolarHBondContact O-N 2.88Å; C469-V472 PolarHBondContact O-N 2.84Å; C469-S473 WeakPolarHBondContact O-CB 3.26Å; C469-S473 PolarHBondContact O-N 2.86Å; C469-C518 HydrophobicContact CB-CB 3.7Å; C469-C518 WeakPolarHBondContact CB-SG 3.32Å; C469-C518 WeakPolarHBondContact SG-CB 3.24Å; C469-C518 CovalentContact SG-SG 1.98Å; C469-C518 PolarHBondContact SG-SG 2.94Å |
| 470 | S | 80.3 | Confident | 80.9 | Confident | 67 Ų | 67 | 51.6 Ų | 51.6 | 47% | 0.469 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.9 | -41.7 | -179.9 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | N468 Q474 | N468-S470 VanDerWaalsContact C-N 3.27Å; N468-S470 PolarHBondContact O-N 2.9Å; N468-S470 PolarHBondContact OD1-N 2.81Å; N468-S470 PolarHBondContact OD1-OG 2.88Å; S470-Q474 WeakPolarHBondContact O-CG 3.43Å; S470-Q474 PolarHBondContact O-N 3.29Å; S470-Q474 VanDerWaalsContact O-N 3.09Å |
| 471 | L | 81.9 | Confident | 80.9 | Confident | 102 Ų | 102 | 52.5 Ų | 52.5 | 53% | 0.534 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.2 | -43.7 | 177.5 | -66.8 | 178.9 | 0 | 0 | 0 | 111.8 | N468 C469 S473 Q474 S475 | N468-L471 HydrophobicContact CB-CB 4.29Å; N468-L471 HydrophobicContact CB-CD1 4.04Å; N468-L471 HydrophobicContact CB-CG 4.25Å; N468-L471 PolarHBondContact O-N 3.12Å; C469-L471 VanDerWaalsContact C-N 3.33Å; C469-L471 PolarHBondContact O-N 2.88Å; L471-S473 VanDerWaalsContact C-N 3.32Å; L471-S473 PolarHBondContact O-N 2.88Å; L471-Q474 PolarHBondContact O-N 2.99Å; L471-S475 VanDerWaalsContact O-CB 3.28Å; L471-S475 WeakPolarHBondContact O-CB 3.41Å; L471-S475 PolarHBondContact O-N 3.31Å |
| 472 | V | 83.2 | Confident | 80.9 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 7% | 0.067 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64 | -40.1 | 177.6 | 173.4 | 0 | 0 | 0 | 0 | 111 | L461 I466 N468 C469 S475 L476 | L461-V472 HydrophobicContact CD1-CG1 4.26Å; L461-V472 HydrophobicContact CD2-CG1 4.42Å; I466-V472 HydrophobicContact CG1-CG1 4.36Å; N468-V472 PolarHBondContact O-N 2.93Å; C469-V472 PolarHBondContact O-N 2.84Å; V472-S475 PolarHBondContact O-N 2.83Å; V472-L476 HydrophobicContact CG1-CD1 3.7Å; V472-L476 HydrophobicContact CG1-CG 4.34Å; V472-L476 WeakPolarHBondContact O-CB 3.47Å; V472-L476 WeakPolarHBondContact O-CG 3.32Å; V472-L476 PolarHBondContact O-N 2.87Å |
| 473 | S | 83.7 | Confident | 80.5 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 12% | 0.119 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.1 | -49 | 175.9 | 178.5 | 0 | 0 | 0 | 0 | 111.9 | C469 L471 S475 L476 L477 Q519 | C469-S473 WeakPolarHBondContact O-CB 3.26Å; C469-S473 PolarHBondContact O-N 2.86Å; L471-S473 VanDerWaalsContact C-N 3.32Å; L471-S473 PolarHBondContact O-N 2.88Å; S473-S475 PolarHBondContact O-N 2.83Å; S473-L476 PolarHBondContact O-N 2.97Å; S473-L477 WeakPolarHBondContact O-CB 3.23Å; S473-L477 PolarHBondContact O-N 2.94Å; S473-Q519 VanDerWaalsContact CB-O 3.3Å; S473-Q519 WeakPolarHBondContact CB-O 3.49Å; S473-Q519 PolarHBondContact OG-O 2.78Å |
| 474 | Q | 84.6 | Confident | 80.8 | Confident | 123 Ų | 123 | 60.2 Ų | 60.2 | 58% | 0.575 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 176.4 | -73.3 | -178.4 | -5.4 | 0 | 0 | 112.2 | S470 L471 L477 N478 | S470-Q474 WeakPolarHBondContact O-CG 3.43Å; S470-Q474 PolarHBondContact O-N 3.29Å; S470-Q474 VanDerWaalsContact O-N 3.09Å; L471-Q474 PolarHBondContact O-N 2.99Å; Q474-L477 PolarHBondContact O-N 3.07Å; Q474-N478 VanDerWaalsContact O-CG 3.24Å; Q474-N478 PolarHBondContact O-N 3.39Å; Q474-N478 PolarHBondContact O-ND2 2.65Å |
| 475 | S | 87.1 | Confident | 81.6 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -50 | 177.5 | -167.6 | 0 | 0 | 0 | 0 | 110.9 | L471 V472 S473 L477 N478 V479 | L471-S475 VanDerWaalsContact O-CB 3.28Å; L471-S475 WeakPolarHBondContact O-CB 3.41Å; L471-S475 PolarHBondContact O-N 3.31Å; V472-S475 PolarHBondContact O-N 2.83Å; S473-S475 PolarHBondContact O-N 2.83Å; S475-L477 VanDerWaalsContact C-N 3.32Å; S475-L477 PolarHBondContact O-N 3.14Å; S475-N478 WeakPolarHBondContact O-CB 3.32Å; S475-N478 PolarHBondContact O-N 2.5Å; S475-N478 VanDerWaalsContact O-N 3.14Å; S475-V479 VanDerWaalsContact O-CG2 3.3Å; S475-V479 WeakPolarHBondContact O-CG2 3.36Å; S475-V479 PolarHBondContact O-N 3.45Å |
| 476 | L | 88.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.5 | -37 | 177.7 | -77.5 | 166.3 | 0 | 0 | 0 | 112.7 | C439 L461 V472 S473 N478 V479 L480 I520 P521 V569 | C439-L476 HydrophobicContact CB-CD2 3.65Å; L461-L476 HydrophobicContact CD1-CD1 4.18Å; L461-L476 HydrophobicContact CD1-CD2 4.48Å; L461-L476 HydrophobicContact CD2-CD1 3.62Å; L461-L476 HydrophobicContact CG-CD1 4.46Å; V472-L476 HydrophobicContact CG1-CD1 3.7Å; V472-L476 HydrophobicContact CG1-CG 4.34Å; V472-L476 WeakPolarHBondContact O-CB 3.47Å; V472-L476 WeakPolarHBondContact O-CG 3.32Å; V472-L476 PolarHBondContact O-N 2.87Å; S473-L476 PolarHBondContact O-N 2.97Å; L476-N478 VanDerWaalsContact C-N 3.32Å; L476-N478 PolarHBondContact O-N 3.01Å; L476-V479 CarbonylContact O-C 3.6Å; L476-V479 PolarHBondContact O-N 3.45Å; L476-L480 WeakPolarHBondContact O-CB 3.25Å; L476-L480 VanDerWaalsContact O-CG 3.32Å; L476-L480 WeakPolarHBondContact O-CG 3.46Å; L476-L480 PolarHBondContact O-N 2.63Å; L476-I520 HydrophobicContact CD1-CG2 3.59Å; L476-P521 HydrophobicContact CB-CG 3.86Å; L476-V569 HydrophobicContact CD2-CG1 4.48Å; L476-V569 HydrophobicContact CD2-CG2 4.14Å |
| 477 | L | 87.9 | Confident | 83.9 | Confident | 32 Ų | 32 | 58 Ų | 58 | 17% | 0.168 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 174.5 | -171.7 | 65.8 | 0 | 0 | 0 | 111.1 | S473 Q474 S475 V479 L480 R481 M510 P521 I550 | S473-L477 WeakPolarHBondContact O-CB 3.23Å; S473-L477 PolarHBondContact O-N 2.94Å; Q474-L477 PolarHBondContact O-N 3.07Å; S475-L477 VanDerWaalsContact C-N 3.32Å; S475-L477 PolarHBondContact O-N 3.14Å; L477-V479 VanDerWaalsContact C-N 3.34Å; L477-L480 PolarHBondContact O-N 2.85Å; L477-R481 HydrophobicContact CD1-CG 4.44Å; L477-R481 WeakPolarHBondContact O-CB 3.22Å; L477-R481 PolarHBondContact O-N 2.86Å; L477-M510 HydrophobicContact CD1-SD 4.37Å; L477-P521 HydrophobicContact CB-CG 4.34Å; L477-I550 HydrophobicContact CD1-CD1 3.51Å |
| 478 | N | 87.8 | Confident | 85.1 | Confident | 105 Ų | 105 | 53.6 Ų | 53.6 | 56% | 0.561 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.4 | -35.4 | 174.8 | -67.4 | -18.8 | 0 | 0 | 0 | 111.9 | Q474 S475 L476 G482 | Q474-N478 VanDerWaalsContact O-CG 3.24Å; Q474-N478 PolarHBondContact O-N 3.39Å; Q474-N478 PolarHBondContact O-ND2 2.65Å; S475-N478 WeakPolarHBondContact O-CB 3.32Å; S475-N478 PolarHBondContact O-N 2.5Å; S475-N478 VanDerWaalsContact O-N 3.14Å; L476-N478 VanDerWaalsContact C-N 3.32Å; L476-N478 PolarHBondContact O-N 3.01Å; N478-G482 CarbonylContact O-C 3.53Å; N478-G482 VanDerWaalsContact O-CA 3.23Å; N478-G482 WeakPolarHBondContact O-CA 3.45Å; N478-G482 PolarHBondContact O-N 3.14Å |
| 479 | V | 89.8 | Confident | 85.8 | Confident | 10 Ų | 10 | 50.3 Ų | 50.3 | 6% | 0.061 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.6 | -38.9 | 173.9 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | L431 R446 S475 L476 L477 | L431-V479 HydrophobicContact CD1-CG1 4.02Å; L431-V479 HydrophobicContact CD2-CG1 4.07Å; R446-V479 PolarHBondContact NH1-O 2.99Å; S475-V479 VanDerWaalsContact O-CG2 3.3Å; S475-V479 WeakPolarHBondContact O-CG2 3.36Å; S475-V479 PolarHBondContact O-N 3.45Å; L476-V479 CarbonylContact O-C 3.6Å; L476-V479 PolarHBondContact O-N 3.45Å; L477-V479 VanDerWaalsContact C-N 3.34Å |
| 480 | L | 90.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.8 | -44.5 | 178.7 | -74.7 | 172 | 0 | 0 | 0 | 112 | R446 L476 L477 P521 L524 V569 | R446-L480 PolarHBondContact NH2-O 3.09Å; L476-L480 WeakPolarHBondContact O-CB 3.25Å; L476-L480 VanDerWaalsContact O-CG 3.32Å; L476-L480 WeakPolarHBondContact O-CG 3.46Å; L476-L480 PolarHBondContact O-N 2.63Å; L477-L480 PolarHBondContact O-N 2.85Å; L480-P521 HydrophobicContact CD1-CB 3.92Å; L480-P521 HydrophobicContact CD1-CG 4.32Å; L480-L524 HydrophobicContact CB-CB 4.08Å; L480-L524 HydrophobicContact CB-CD1 3.92Å; L480-L524 HydrophobicContact CD1-CB 4.27Å; L480-L524 HydrophobicContact CD2-CB 3.98Å; L480-L524 HydrophobicContact CG-CB 4.34Å; L480-V569 HydrophobicContact CD1-CG1 4.3Å; L480-V569 HydrophobicContact CD2-CG1 3.75Å; L480-V569 HydrophobicContact CG-CG1 4.21Å |
| 481 | R | 88.9 | Confident | 87 | Confident | 64 Ų | 64 | 46.5 Ų | 46.5 | 24% | 0.242 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -83.5 | -27.8 | -177.9 | -75.9 | -174.7 | 170.5 | 163.8 | 1.2 | 114.6 | L477 P485 S508 L524 E548 | L477-R481 HydrophobicContact CD1-CG 4.44Å; L477-R481 WeakPolarHBondContact O-CB 3.22Å; L477-R481 PolarHBondContact O-N 2.86Å; R481-P485 HydrophobicContact CB-CB 4.05Å; R481-P485 HydrophobicContact CB-CG 4.26Å; R481-S508 PolarHBondContact NH2-OG 2.81Å; R481-S508 VanDerWaalsContact NH2-OG 3.16Å; R481-L524 HydrophobicContact CG-CD1 3.99Å; R481-E548 WeakPolarHBondContact CG-OE1 3.35Å; R481-E548 IonicContact CZ-OE1 3.76Å; R481-E548 IonicContact CZ-OE2 3.46Å; R481-E548 IonicContact NE-OE1 2.9Å; R481-E548 PolarHBondContact NE-OE1 2.92Å; R481-E548 IonicContact NE-OE2 3.4Å; R481-E548 PolarHBondContact NE-OE2 3.39Å; R481-E548 IonicContact NH2-OE1 3.75Å; R481-E548 IonicContact NH2-OE2 2.72Å; R481-E548 PolarHBondContact NH2-OE2 3.47Å |
| 482 | G | 86.4 | Confident | 87.5 | Confident | 7 Ų | 7 | 43 Ų | 43 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | trans | 87.5 | 175.3 | -172 | 0 | 0 | 0 | 0 | 0 | 113.3 | N478 N484 | N478-G482 CarbonylContact O-C 3.53Å; N478-G482 VanDerWaalsContact O-CA 3.23Å; N478-G482 WeakPolarHBondContact O-CA 3.45Å; N478-G482 PolarHBondContact O-N 3.14Å; G482-N484 PolarHBondContact O-N 3.36Å | ||
| 483 | P | 75.5 | Confident | 87.6 | Confident | 103 Ų | 103 | 42.5 Ų | 42.5 | 67% | 0.669 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -68.7 | -31.7 | -171.1 | 25.3 | -33.3 | 0 | 0 | 0 | 114.2 | ||
| 484 | N | 78.8 | Confident | 87.7 | Confident | 112 Ų | 112 | 43.9 Ų | 43.9 | 60% | 0.599 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -137.9 | 81.8 | 179 | -64.5 | -48 | 0 | 0 | 0 | 109.5 | G482 | G482-N484 PolarHBondContact O-N 3.36Š|
| 485 | P | 85 | Confident | 87.7 | Confident | 59 Ų | 59 | 38.2 Ų | 38.2 | 38% | 0.383 | 21% | 0.208 | S | C | . | . | trans | -71.9 | 124.6 | -178.7 | 26.9 | -31.2 | 0 | 0 | 0 | 110.6 | R481 | R481-P485 HydrophobicContact CB-CB 4.05Å; R481-P485 HydrophobicContact CB-CG 4.26Å | ||
| 486 | P | 88.7 | Confident | 87.6 | Confident | 16 Ų | 16 | 40.7 Ų | 40.7 | 10% | 0.104 | 22% | 0.216 | C | C | . | . | trans | -69.9 | 150.6 | -179.9 | 29.9 | -35.6 | 0 | 0 | 0 | 111.1 | L428 I506 | L428-P486 HydrophobicContact CB-CG 3.98Å; L428-P486 HydrophobicContact CD1-CG 4.13Å; P486-I506 HydrophobicContact CG-CD1 4.48Å; P486-I506 WeakPolarHBondContact O-CD1 3.35Å | ||
| 487 | Q | 89.7 | Confident | 87.4 | Confident | 115 Ų | 115 | 43.1 Ų | 43.1 | 54% | 0.537 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -92.6 | -22.6 | 177.8 | -67.7 | -179.3 | 2.7 | 0 | 0 | 114.2 | G411 D412 I506 | G411-Q487 PolarHBondContact O-N 2.86Å; D412-Q487 WeakPolarHBondContact OD1-CG 3.08Å; D412-Q487 PolarHBondContact OD1-N 2.87Å; Q487-I506 PolarHBondContact O-N 2.75Å |
| 488 | Y | 92.1 | Very high | 87.2 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 17% | 0.169 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.6 | -174.3 | -61.9 | -97.1 | 0 | 0 | 0 | 111.8 | S410 G411 R413 I418 W503 V504 P505 | S410-Y488 CarbonylContact C-O 3.51Å; S410-Y488 WeakPolarHBondContact CA-O 3.23Å; S410-Y488 WeakPolarHBondContact CB-O 3.42Å; G411-Y488 PolarHBondContact N-O 2.81Å; G411-Y488 PolarHBondContact O-N 2.75Å; R413-Y488 HydrophobicContact CB-CE2 3.92Å; I418-Y488 HydrophobicContact CD1-CD2 4.23Å; I418-Y488 HydrophobicContact CD1-CG 4.24Å; Y488-W503 HydrophobicContact CD1-CB 4.19Å; Y488-W503 HydrophobicContact CG-CB 4.5Å; Y488-V504 WeakPolarHBondContact CA-O 3.49Å; Y488-P505 HydrophobicContact CD1-CB 4.05Å; Y488-P505 HydrophobicContact CE1-CB 3.86Å |
| 489 | V | 93.1 | Very high | 87 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 140.7 | 171.3 | 178.1 | 0 | 0 | 0 | 0 | 109.1 | L408 M409 L428 W503 V504 I506 I543 I546 | L408-V489 HydrophobicContact CB-CG1 4.25Å; L408-V489 HydrophobicContact CD1-CG1 4.49Å; M409-V489 CarbonylContact O-C 3.5Å; M409-V489 VanDerWaalsContact O-CA 3.3Å; M409-V489 WeakPolarHBondContact O-CA 3.49Å; M409-V489 WeakPolarHBondContact O-CG1 3.24Å; L428-V489 HydrophobicContact CD2-CG2 3.87Å; V489-W503 CarbonylContact O-C 3.55Å; V489-V504 PolarHBondContact N-O 2.89Å; V489-V504 PolarHBondContact O-N 3.31Å; V489-I506 HydrophobicContact CG2-CD1 3.93Å; V489-I506 HydrophobicContact CG2-CG1 4.09Å; V489-I543 HydrophobicContact CG1-CD1 3.98Å; V489-I546 HydrophobicContact CB-CD1 3.4Å; V489-I546 HydrophobicContact CG1-CD1 3.62Å; V489-I546 HydrophobicContact CG2-CD1 3.39Å |
| 490 | A | 92.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 145.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y402 M409 F492 T495 W503 | Y402-A490 WeakPolarHBondContact CE2-O 3.42Å; Y402-A490 PolarHBondContact OH-O 3.13Å; M409-A490 HydrophobicContact CB-CB 4Å; M409-A490 HydrophobicContact CE-CB 3.6Å; M409-A490 PolarHBondContact O-N 3Å; A490-F492 WeakPolarHBondContact CB-O 3Å; A490-T495 HydrophobicContact CB-CG2 4.37Å; A490-W503 HydrophobicContact CB-CD2 4.3Å; A490-W503 HydrophobicContact CB-CE3 4.13Å; A490-W503 HydrophobicContact CB-CH2 4.15Å; A490-W503 HydrophobicContact CB-CZ2 4.29Å; A490-W503 HydrophobicContact CB-CZ3 4.07Å |
| 491 | S | 93.2 | Very high | 86.7 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -74.7 | -32 | 174.1 | 59.6 | 0 | 0 | 0 | 0 | 112 | D502 Q542 I543 | S491-D502 WeakPolarHBondContact CB-O 3.45Å; S491-D502 PolarHBondContact N-O 2.72Å; S491-D502 PolarHBondContact OG-O 3.4Å; S491-Q542 CarbonylContact O-C 3.56Å; S491-Q542 VanDerWaalsContact O-CA 3.28Å; S491-Q542 WeakPolarHBondContact O-CA 3.4Å; S491-Q542 WeakPolarHBondContact O-CG 3.42Å; S491-I543 PolarHBondContact O-N 2.86Å |
| 492 | F | 91.4 | Very high | 86.8 | Confident | 30 Ų | 30 | 56.7 Ų | 56.7 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -121.8 | 156.4 | 178.5 | -72.5 | -75.2 | 0 | 0 | 0 | 111.7 | P400 Y402 M409 A490 N494 T495 Y533 Q540 Q542 | P400-F492 WeakPolarHBondContact O-CB 3.18Å; Y402-F492 VanDerWaalsContact CE2-C 3.49Å; M409-F492 WeakPolarHBondContact CE-O 3.38Å; A490-F492 WeakPolarHBondContact CB-O 3Å; F492-N494 PolarHBondContact O-N 3.32Å; F492-T495 PolarHBondContact N-OG1 3.31Å; F492-T495 PolarHBondContact O-N 3.41Å; F492-T495 PolarHBondContact O-OG1 3.34Å; F492-Y533 HydrophobicContact CE1-CD1 4.45Å; F492-Y533 AromaticContact CZ-CD1 3.99Å; F492-Y533 HydrophobicContact CZ-CD1 3.99Å; F492-Y533 HydrophobicContact CZ-CG 4.24Å; F492-Q540 HydrophobicContact CE1-CB 4.36Å; F492-Q542 HydrophobicContact CD1-CB 4.23Å; F492-Q542 HydrophobicContact CD1-CG 4.24Å; F492-Q542 HydrophobicContact CD2-CG 4.34Å; F492-Q542 HydrophobicContact CE1-CB 3.68Å; F492-Q542 HydrophobicContact CE1-CG 3.77Å; F492-Q542 HydrophobicContact CE2-CG 3.89Å; F492-Q542 VanDerWaalsContact CE2-NE2 3.32Å; F492-Q542 HydrophobicContact CZ-CB 3.93Å; F492-Q542 HydrophobicContact CZ-CG 3.58Å |
| 493 | G | 85.6 | Confident | 87 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -14.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y396 S397 G398 P400 M409 | Y396-G493 CarbonylContact C-O 3.49Å; Y396-G493 WeakPolarHBondContact CA-O 3.4Å; Y396-G493 WeakPolarHBondContact CB-O 3.39Å; S397-G493 PolarHBondContact N-O 3.01Å; G398-G493 PolarHBondContact N-O 2.85Å; G398-G493 CarbonylContact O-C 3.56Å; G398-G493 VanDerWaalsContact O-O 3.14Å; P400-G493 WeakPolarHBondContact O-CA 3.49Å; P400-G493 PolarHBondContact O-N 3.1Å; M409-G493 WeakPolarHBondContact CE-O 3.35Å; M409-G493 VanDerWaalsContact SD-O 3.36Å |
| 494 | N | 85.3 | Confident | 87.9 | Confident | 46 Ų | 46 | 52.9 Ų | 52.9 | 25% | 0.246 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.8 | 15.3 | 178.5 | 71.5 | -21.5 | 0 | 0 | 0 | 115 | Y396 G398 N399 P400 F492 L496 | Y396-N494 HydrophobicContact CD1-CB 4.12Å; Y396-N494 HydrophobicContact CE1-CB 4.49Å; G398-N494 WeakPolarHBondContact O-CB 3.4Å; G398-N494 PolarHBondContact O-N 3.24Å; N399-N494 PolarHBondContact OD1-ND2 3.14Å; P400-N494 VanDerWaalsContact CA-CG 3.43Å; P400-N494 WeakPolarHBondContact CA-ND2 3.41Å; P400-N494 VanDerWaalsContact CA-OD1 3.29Å; P400-N494 WeakPolarHBondContact CA-OD1 3.17Å; P400-N494 WeakPolarHBondContact CB-OD1 3.25Å; P400-N494 PolarHBondContact O-N 3.38Å; P400-N494 PolarHBondContact O-OD1 3.06Å; F492-N494 PolarHBondContact O-N 3.32Å; N494-L496 PolarHBondContact O-N 3.33Å |
| 495 | T | 86 | Confident | 88.7 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | trans | -56.1 | 131.4 | -177.9 | -61.7 | 0 | 0 | 0 | 0 | 111.9 | A490 F492 D502 W503 | A490-T495 HydrophobicContact CB-CG2 4.37Å; F492-T495 PolarHBondContact N-OG1 3.31Å; F492-T495 PolarHBondContact O-N 3.41Å; F492-T495 PolarHBondContact O-OG1 3.34Å; T495-D502 HydrophobicContact CG2-CB 3.41Å; T495-D502 VanDerWaalsContact CG2-CB 3.41Å; T495-W503 HydrophobicContact CG2-CZ2 4.44Å | ||
| 496 | L | 83.8 | Confident | 89.1 | Confident | 101 Ų | 101 | 49.2 Ų | 49.2 | 53% | 0.529 | 25% | 0.254 | S | S | . | . | trans | -75.3 | 146.9 | 175.5 | -61.7 | 177 | 0 | 0 | 0 | 111.2 | N494 E498 N499 W503 | N494-L496 PolarHBondContact O-N 3.33Å; L496-E498 PolarHBondContact O-N 3.2Å; L496-N499 PolarHBondContact O-N 3.36Å; L496-N499 VanDerWaalsContact O-N 3.16Å; L496-W503 PolarHBondContact O-NE1 2.94Å | ||
| 497 | L | 83.4 | Confident | 89.2 | Confident | 52 Ų | 52 | 54.6 Ų | 54.6 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -28.2 | -178.1 | -63.6 | 176.4 | 0 | 0 | 0 | 113.4 | I418 R420 N499 W503 | I418-L497 HydrophobicContact CB-CD2 4.49Å; I418-L497 HydrophobicContact CG2-CD2 4.44Å; I418-L497 PolarHBondContact N-O 2.95Å; I418-L497 WeakPolarHBondContact O-CB 3.41Å; I418-L497 WeakPolarHBondContact O-CD2 3.5Å; R420-L497 HydrophobicContact CB-CD2 4.26Å; R420-L497 HydrophobicContact CG-CD1 4.26Å; R420-L497 HydrophobicContact CG-CD2 3.69Å; L497-N499 VanDerWaalsContact C-N 3.34Å; L497-W503 HydrophobicContact CD2-CH2 4.12Å; L497-W503 HydrophobicContact CD2-CZ2 3.75Å |
| 498 | E | 83.4 | Confident | 89.1 | Confident | 166 Ų | 166 | 51.2 Ų | 51.2 | 78% | 0.776 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -23.2 | 178.4 | -61.5 | 172.2 | -165.4 | 0 | 0 | 112.5 | L496 V500 | L496-E498 PolarHBondContact O-N 3.2Å; E498-V500 PolarHBondContact O-N 3.31Å; E498-V500 VanDerWaalsContact O-N 3.11Å |
| 499 | N | 85.1 | Confident | 88.5 | Confident | 64 Ų | 64 | 53.8 Ų | 53.8 | 34% | 0.342 | 28% | 0.281 | S | S | . | . | trans | -89.6 | 73 | -175.3 | -169 | 5.4 | 0 | 0 | 0 | 112.4 | L496 L497 L501 D502 | L496-N499 PolarHBondContact O-N 3.36Å; L496-N499 VanDerWaalsContact O-N 3.16Å; L497-N499 VanDerWaalsContact C-N 3.34Å; N499-L501 PolarHBondContact O-N 2.89Å; N499-D502 PolarHBondContact ND2-OD1 2.9Å; N499-D502 PolarHBondContact ND2-OD2 2.71Å; N499-D502 PolarHBondContact O-N 2.95Å | ||
| 500 | V | 86.1 | Confident | 87.4 | Confident | 47 Ų | 47 | 55.3 Ų | 55.3 | 29% | 0.285 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -54.9 | -28.7 | -176.4 | -175.3 | 0 | 0 | 0 | 0 | 113.8 | E498 D502 W503 | E498-V500 PolarHBondContact O-N 3.31Å; E498-V500 VanDerWaalsContact O-N 3.11Å; V500-D502 VanDerWaalsContact C-N 3.26Å; V500-D502 PolarHBondContact O-N 2.85Å; V500-W503 PolarHBondContact O-N 2.83Å |
| 501 | L | 87 | Confident | 85.8 | Confident | 165 Ų | 165 | 60 Ų | 60 | 86% | 0.864 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -69.5 | -24.5 | -179.1 | -67.4 | 176.8 | 0 | 0 | 0 | 113.3 | N499 W503 | N499-L501 PolarHBondContact O-N 2.89Å; L501-W503 PolarHBondContact O-N 3.13Å |
| 502 | D | 90 | Very high | 84 | Confident | 55 Ų | 55 | 65.5 Ų | 65.5 | 29% | 0.294 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -84.2 | 4.3 | 177.1 | -74.3 | 1.2 | 0 | 0 | 0 | 112.1 | S491 T495 N499 V500 | S491-D502 WeakPolarHBondContact CB-O 3.45Å; S491-D502 PolarHBondContact N-O 2.72Å; S491-D502 PolarHBondContact OG-O 3.4Å; T495-D502 HydrophobicContact CG2-CB 3.41Å; T495-D502 VanDerWaalsContact CG2-CB 3.41Å; N499-D502 PolarHBondContact ND2-OD1 2.9Å; N499-D502 PolarHBondContact ND2-OD2 2.71Å; N499-D502 PolarHBondContact O-N 2.95Å; V500-D502 VanDerWaalsContact C-N 3.26Å; V500-D502 PolarHBondContact O-N 2.85Å |
| 503 | W | 92.2 | Very high | 82.1 | Confident | 10 Ų | 10 | 70.2 Ų | 70.2 | 4% | 0.038 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 124 | 177.3 | -67.9 | 80.5 | 0 | 0 | 0 | 111.4 | I418 Y488 V489 A490 T495 L496 L497 V500 L501 | I418-W503 HydrophobicContact CB-CD2 4.17Å; I418-W503 HydrophobicContact CB-CZ2 4.16Å; I418-W503 HydrophobicContact CD1-CB 4.45Å; I418-W503 HydrophobicContact CD1-CD2 4.46Å; I418-W503 HydrophobicContact CD1-CG 4.26Å; I418-W503 HydrophobicContact CG1-CB 4.33Å; I418-W503 HydrophobicContact CG1-CD2 3.7Å; I418-W503 HydrophobicContact CG1-CE3 4.36Å; I418-W503 HydrophobicContact CG1-CG 3.65Å; I418-W503 HydrophobicContact CG2-CD2 3.97Å; I418-W503 HydrophobicContact CG2-CE3 3.9Å; I418-W503 HydrophobicContact CG2-CH2 3.82Å; I418-W503 HydrophobicContact CG2-CZ2 3.89Å; I418-W503 HydrophobicContact CG2-CZ3 3.83Å; Y488-W503 HydrophobicContact CD1-CB 4.19Å; Y488-W503 HydrophobicContact CG-CB 4.5Å; V489-W503 CarbonylContact O-C 3.55Å; A490-W503 HydrophobicContact CB-CD2 4.3Å; A490-W503 HydrophobicContact CB-CE3 4.13Å; A490-W503 HydrophobicContact CB-CH2 4.15Å; A490-W503 HydrophobicContact CB-CZ2 4.29Å; A490-W503 HydrophobicContact CB-CZ3 4.07Å; T495-W503 HydrophobicContact CG2-CZ2 4.44Å; L496-W503 PolarHBondContact O-NE1 2.94Å; L497-W503 HydrophobicContact CD2-CH2 4.12Å; L497-W503 HydrophobicContact CD2-CZ2 3.75Å; V500-W503 PolarHBondContact O-N 2.83Å; L501-W503 PolarHBondContact O-N 3.13Å |
| 504 | V | 94.4 | Very high | 80.6 | Confident | 20 Ų | 20 | 77.6 Ų | 77.6 | 12% | 0.121 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 122.3 | -178.2 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | Y488 V489 | Y488-V504 WeakPolarHBondContact CA-O 3.49Å; V489-V504 PolarHBondContact N-O 2.89Å; V489-V504 PolarHBondContact O-N 3.31Å |
| 505 | P | 94.1 | Very high | 78.9 | Confident | 59 Ų | 59 | 78.9 Ų | 78.9 | 38% | 0.383 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 138.5 | 176.7 | 28.9 | -33.7 | 0 | 0 | 0 | 111.2 | Y488 K507 | Y488-P505 HydrophobicContact CD1-CB 4.05Å; Y488-P505 HydrophobicContact CE1-CB 3.86Å; P505-K507 PolarHBondContact O-N 3.42Å |
| 506 | I | 93.6 | Very high | 77.3 | Confident | 35 Ų | 35 | 88.8 Ų | 88.8 | 18% | 0.179 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 115.1 | 173.1 | -55.8 | -176.7 | 0 | 0 | 0 | 108.5 | L428 P486 Q487 V489 I546 E548 | L428-I506 HydrophobicContact CD1-CD1 3.98Å; L428-I506 HydrophobicContact CD2-CD1 4.38Å; P486-I506 HydrophobicContact CG-CD1 4.48Å; P486-I506 WeakPolarHBondContact O-CD1 3.35Å; Q487-I506 PolarHBondContact O-N 2.75Å; V489-I506 HydrophobicContact CG2-CD1 3.93Å; V489-I506 HydrophobicContact CG2-CG1 4.09Å; I506-I546 HydrophobicContact CG1-CG2 4.3Å; I506-I546 HydrophobicContact CG2-CG2 4.18Å; I506-E548 HydrophobicContact CG2-CB 4.11Å |
| 507 | K | 91.6 | Very high | 76.2 | Confident | 129 Ų | 129 | 87.3 Ų | 87.3 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 117 | 179.4 | -66.3 | 177.9 | -177.4 | 172.3 | 0 | 109.9 | P505 I546 R547 E548 | P505-K507 PolarHBondContact O-N 3.42Å; K507-I546 PolarHBondContact N-O 2.98Å; K507-I546 VanDerWaalsContact N-O 3.12Å; K507-R547 CarbonylContact O-C 3.48Å; K507-R547 WeakPolarHBondContact O-CA 3.38Å; K507-E548 PolarHBondContact O-N 3.14Å |
| 508 | S | 86.6 | Confident | 75.7 | Confident | 44 Ų | 44 | 88 Ų | 88 | 31% | 0.308 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 143.6 | 174.5 | -169.8 | 0 | 0 | 0 | 0 | 111.6 | R481 M510 E548 | R481-S508 PolarHBondContact NH2-OG 2.81Å; R481-S508 VanDerWaalsContact NH2-OG 3.16Å; S508-M510 VanDerWaalsContact C-N 3.29Å; S508-M510 PolarHBondContact OG-N 2.8Å; S508-E548 WeakPolarHBondContact CA-O 3.23Å; S508-E548 WeakPolarHBondContact CB-OE2 3.49Å; S508-E548 PolarHBondContact OG-OE2 2.87Å |
| 509 | N | 80.9 | Confident | 75.4 | Confident | 96 Ų | 96 | 82.5 Ų | 82.5 | 51% | 0.513 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -80.4 | -8.4 | 170.5 | 69.1 | -16 | 0 | 0 | 0 | 113.4 | E548 I550 | N509-E548 PolarHBondContact N-O 3.3Å; N509-E548 VanDerWaalsContact N-O 3.14Å; N509-E548 PolarHBondContact OD1-O 3.37Å; N509-I550 PolarHBondContact ND2-N 2.85Å; N509-I550 PolarHBondContact ND2-O 2.86Å; N509-I550 PolarHBondContact OD1-N 2.86Å |
| 510 | M | 69 | Low | 75.3 | Confident | 32 Ų | 32 | 79.8 Ų | 79.8 | 16% | 0.158 | 44% | 0.437 | C | S | . | . | trans | -105.5 | 113.5 | -174.5 | -162.8 | 172.8 | -165.9 | 0 | 0 | 111.5 | L477 S508 I550 T552 | L477-M510 HydrophobicContact CD1-SD 4.37Å; S508-M510 VanDerWaalsContact C-N 3.29Å; S508-M510 PolarHBondContact OG-N 2.8Å; M510-I550 HydrophobicContact CB-CD1 4.26Å; M510-I550 HydrophobicContact SD-CB 4.31Å; M510-I550 HydrophobicContact SD-CD1 4.03Å; M510-I550 HydrophobicContact SD-CG2 3.95Å; M510-T552 HydrophobicContact CE-CG2 3.92Å | ||
| 511 | N | 59.3 | Low | 75.3 | Confident | 100 Ų | 100 | 77.5 Ų | 77.5 | 54% | 0.535 | 42% | 0.424 | S | S | . | . | trans | -86.3 | 122.5 | 173.3 | -78.3 | -18.4 | 0 | 0 | 0 | 110.5 | T513 | N511-T513 PolarHBondContact O-N 2.66Å; N511-T513 VanDerWaalsContact O-N 3.15Å | ||
| 512 | P | 55.4 | Low | 75.4 | Confident | 121 Ų | 121 | 71.4 Ų | 71.4 | 79% | 0.786 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -9.9 | -179 | 24.9 | -31.7 | 0 | 0 | 0 | 114.4 | ||
| 513 | T | 50.6 | Low | 75.4 | Confident | 129 Ų | 129 | 69.3 Ų | 69.3 | 79% | 0.791 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -3.2 | -173.8 | 23.6 | 0 | 0 | 0 | 0 | 115.5 | N511 | N511-T513 PolarHBondContact O-N 2.66Å; N511-T513 VanDerWaalsContact O-N 3.15Å |
| 514 | E | 53.7 | Low | 75.5 | Confident | 155 Ų | 155 | 69.1 Ų | 69.1 | 72% | 0.724 | 38% | 0.381 | S | S | * | . | trans | -121.4 | 62.7 | -176.7 | -71.5 | -174.3 | 161 | 0 | 0 | 112.6 | ||||
| 515 | V | 51.5 | Low | 75.5 | Confident | 72 Ų | 72 | 70.7 Ų | 70.7 | 44% | 0.436 | 39% | 0.387 | S | S | . | . | trans | -134.6 | 81 | 178.1 | -161.2 | 0 | 0 | 0 | 0 | 111.9 | S517 | V515-S517 WeakPolarHBondContact CG1-O 3.46Š| ||
| 516 | Q | 51.7 | Low | 75.6 | Confident | 213 Ų | 213 | 68 Ų | 68 | 100% | 0.995 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -91.6 | -3.5 | 163 | -81.8 | -178 | -11.9 | 0 | 0 | 112.8 | ||
| 517 | S | 61.3 | Low | 75.7 | Confident | 70 Ų | 70 | 68.1 Ų | 68.1 | 49% | 0.49 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -125.3 | 132.3 | 178.6 | 57.6 | 0 | 0 | 0 | 0 | 111.3 | V515 Q519 | V515-S517 WeakPolarHBondContact CG1-O 3.46Å; S517-Q519 PolarHBondContact O-N 2.84Å; S517-Q519 VanDerWaalsContact O-N 3.12Å |
| 518 | C | 71.9 | Confident | 76 | Confident | 67 Ų | 67 | 62 Ų | 62 | 45% | 0.453 | 34% | 0.342 | S | S | . | . | trans | -51.9 | 111 | 176.5 | 157.2 | 0 | 0 | 0 | 0 | 112.3 | C469 L557 | C469-C518 HydrophobicContact CB-CB 3.7Å; C469-C518 WeakPolarHBondContact CB-SG 3.32Å; C469-C518 WeakPolarHBondContact SG-CB 3.24Å; C469-C518 CovalentContact SG-SG 1.98Å; C469-C518 PolarHBondContact SG-SG 2.94Å; C518-L557 WeakPolarHBondContact SG-CD1 3.41Å | ||
| 519 | Q | 77.9 | Confident | 76.4 | Confident | 50 Ų | 50 | 61.9 Ų | 61.9 | 23% | 0.234 | 34% | 0.337 | C | S | . | . | trans | -124.4 | 117 | 175.7 | -73.8 | -179.6 | -5.4 | 0 | 0 | 109.1 | S473 S517 T552 | S473-Q519 VanDerWaalsContact CB-O 3.3Å; S473-Q519 WeakPolarHBondContact CB-O 3.49Å; S473-Q519 PolarHBondContact OG-O 2.78Å; S517-Q519 PolarHBondContact O-N 2.84Å; S517-Q519 VanDerWaalsContact O-N 3.12Å; Q519-T552 HydrophobicContact CB-CG2 4.11Å | ||
| 520 | I | 81.8 | Confident | 77.1 | Confident | 6 Ų | 6 | 59.5 Ų | 59.5 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | trans | -95.2 | 122.5 | 179.7 | -63.5 | 163.5 | 0 | 0 | 0 | 108.5 | L461 I466 L476 L522 T552 N553 L557 | L461-I520 HydrophobicContact CD2-CG2 4.18Å; I466-I520 HydrophobicContact CD1-CD1 3.67Å; I466-I520 HydrophobicContact CG2-CD1 4.4Å; L476-I520 HydrophobicContact CD1-CG2 3.59Å; I520-L522 HydrophobicContact CG2-CD2 3.9Å; I520-L522 PolarHBondContact O-N 3.39Å; I520-T552 VanDerWaalsContact O-CA 3.23Å; I520-T552 WeakPolarHBondContact O-CA 3.45Å; I520-N553 PolarHBondContact O-N 3.31Å; I520-L557 HydrophobicContact CD1-CD1 3.83Å; I520-L557 HydrophobicContact CD1-CD2 3.93Å; I520-L557 HydrophobicContact CD1-CG 4.4Å | ||
| 521 | P | 87.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 119.4 | 175.7 | 31.2 | -32.4 | 0 | 0 | 0 | 109.8 | L476 L477 L480 I550 T552 | L476-P521 HydrophobicContact CB-CG 3.86Å; L477-P521 HydrophobicContact CB-CG 4.34Å; L480-P521 HydrophobicContact CD1-CB 3.92Å; L480-P521 HydrophobicContact CD1-CG 4.32Å; P521-I550 HydrophobicContact CB-CG2 3.64Å; P521-T552 HydrophobicContact CB-CG2 4.49Å |
| 522 | L | 87.8 | Confident | 79.6 | Confident | 37 Ų | 37 | 60.4 Ų | 60.4 | 19% | 0.194 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -22.3 | -178.7 | -63.2 | -176.4 | 0 | 0 | 0 | 112.4 | I520 E551 N553 V567 V569 R570 | I520-L522 HydrophobicContact CG2-CD2 3.9Å; I520-L522 PolarHBondContact O-N 3.39Å; L522-E551 PolarHBondContact N-O 2.91Å; L522-N553 HydrophobicContact CD1-CB 3.94Å; L522-N553 HydrophobicContact CG-CB 4.45Å; L522-V567 HydrophobicContact CD1-CG1 3.91Å; L522-V567 HydrophobicContact CD2-CG1 3.57Å; L522-V567 HydrophobicContact CG-CG1 4.35Å; L522-V569 HydrophobicContact CD2-CG2 4.45Å; L522-V569 CarbonylContact O-C 3.48Å; L522-V569 WeakPolarHBondContact O-CA 3.44Å; L522-R570 PolarHBondContact O-N 3.45Å |
| 523 | S | 90.9 | Very high | 81 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 8% | 0.077 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 147.1 | 175.9 | 74.5 | 0 | 0 | 0 | 0 | 111.6 | I550 E551 R570 | S523-I550 VanDerWaalsContact O-CA 3.31Å; S523-I550 WeakPolarHBondContact O-CA 3.39Å; S523-E551 PolarHBondContact N-O 2.69Å; S523-E551 PolarHBondContact O-N 2.85Å; S523-E551 VanDerWaalsContact O-N 3.13Å; S523-E551 WeakPolarHBondContact OG-CB 3.35Å; S523-E551 VanDerWaalsContact OG-CD 3.25Å; S523-E551 WeakPolarHBondContact OG-CG 3.3Å; S523-E551 PolarHBondContact OG-OE2 3.39Å; S523-R570 CarbonylContact C-O 3.53Å; S523-R570 VanDerWaalsContact CA-O 3.23Å; S523-R570 WeakPolarHBondContact CA-O 3.19Å |
| 524 | L | 93.5 | Very high | 82.5 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 118.8 | 163.7 | -178.2 | 153.9 | 0 | 0 | 0 | 107.7 | L430 L480 R481 L526 E548 R570 S571 S572 | L430-L524 HydrophobicContact CD2-CD2 4.06Å; L480-L524 HydrophobicContact CB-CB 4.08Å; L480-L524 HydrophobicContact CB-CD1 3.92Å; L480-L524 HydrophobicContact CD1-CB 4.27Å; L480-L524 HydrophobicContact CD2-CB 3.98Å; L480-L524 HydrophobicContact CG-CB 4.34Å; R481-L524 HydrophobicContact CG-CD1 3.99Å; L524-L526 HydrophobicContact CD2-CD1 4.49Å; L524-L526 HydrophobicContact CD2-CD2 4.1Å; L524-L526 HydrophobicContact CD2-CG 3.83Å; L524-E548 HydrophobicContact CD1-CG 4.24Å; L524-E548 WeakPolarHBondContact CD1-OE1 3.36Å; L524-E548 HydrophobicContact CG-CG 4.16Å; L524-R570 PolarHBondContact N-O 3.31Å; L524-S571 CarbonylContact O-C 3.56Å; L524-S571 VanDerWaalsContact O-CA 3.32Å; L524-S571 WeakPolarHBondContact O-CA 3.42Å; L524-S572 PolarHBondContact O-N 2.03Å |
| 525 | H | 95.3 | Very high | 83.5 | Confident | 52 Ų | 52 | 52.4 Ų | 52.4 | 24% | 0.241 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.1 | 175.2 | -173.8 | 65.1 | 0 | 0 | 0 | 110 | M549 S572 | H525-M549 HydrophobicContact CB-CB 4.38Å; H525-M549 PolarHBondContact N-O 3.22Å; H525-M549 PolarHBondContact O-N 2.68Å; H525-S572 CarbonylContact C-O 3.57Å; H525-S572 WeakPolarHBondContact CA-O 3.31Å; H525-S572 PolarHBondContact ND1-OG 2.92Å |
| 526 | L | 95.7 | Very high | 84.5 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 117.9 | 172.8 | -64.8 | 178.7 | 0 | 0 | 0 | 109.5 | L428 L430 V449 L524 R547 E548 S572 V573 A574 | L428-L526 HydrophobicContact CD1-CD1 3.98Å; L428-L526 HydrophobicContact CD2-CD1 4.19Å; L428-L526 HydrophobicContact CG-CD1 4.17Å; L430-L526 HydrophobicContact CD2-CD1 3.9Å; L430-L526 HydrophobicContact CD2-CG 4.35Å; V449-L526 HydrophobicContact CG2-CD1 4.12Å; L524-L526 HydrophobicContact CD2-CD1 4.49Å; L524-L526 HydrophobicContact CD2-CD2 4.1Å; L524-L526 HydrophobicContact CD2-CG 3.83Å; L526-R547 WeakPolarHBondContact CA-O 3.31Å; L526-E548 HydrophobicContact CD2-CB 3.96Å; L526-E548 HydrophobicContact CD2-CG 4.07Å; L526-S572 PolarHBondContact N-O 3.31Å; L526-V573 HydrophobicContact CB-CB 4.13Å; L526-V573 HydrophobicContact CB-CG2 4.01Å; L526-V573 CarbonylContact O-C 3.58Å; L526-V573 VanDerWaalsContact O-CA 3.25Å; L526-V573 WeakPolarHBondContact O-CA 3.45Å; L526-A574 PolarHBondContact O-N 2.83Å |
| 527 | E | 96.1 | Very high | 85.8 | Confident | 37 Ų | 37 | 50.1 Ų | 50.1 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 117 | 173.4 | -175.8 | 178.9 | 101 | 0 | 0 | 109 | I546 R547 M549 I576 | E527-I546 WeakPolarHBondContact O-CA 3.47Å; E527-R547 HydrophobicContact CB-CB 4.4Å; E527-R547 PolarHBondContact N-O 3.49Å; E527-R547 PolarHBondContact O-N 3.03Å; E527-M549 HydrophobicContact CB-CE 3.47Å; E527-M549 VanDerWaalsContact CB-CE 3.47Å; E527-M549 HydrophobicContact CG-CE 4.26Å; E527-M549 WeakPolarHBondContact OE2-CE 3.2Å; E527-I576 HydrophobicContact CG-CD1 3.4Å; E527-I576 HydrophobicContact CG-CG1 4.15Å |
| 528 | I | 97.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 102.9 | -174.7 | -55 | -174.8 | 0 | 0 | 0 | 108.7 | L408 V449 I543 I546 V573 A574 F575 I576 | L408-I528 HydrophobicContact CD1-CD1 3.42Å; L408-I528 VanDerWaalsContact CD1-CD1 3.42Å; V449-I528 HydrophobicContact CG1-CD1 3.99Å; I528-I543 HydrophobicContact CG2-CD1 4.32Å; I528-I543 HydrophobicContact CG2-CG1 4.33Å; I528-I543 HydrophobicContact CG2-CG2 4.09Å; I528-I546 HydrophobicContact CG1-CG1 4.28Å; I528-I546 HydrophobicContact CG1-CG2 4.27Å; I528-I546 HydrophobicContact CG2-CG1 4.2Å; I528-V573 HydrophobicContact CD1-CG2 3.59Å; I528-V573 HydrophobicContact CG1-CG2 4.02Å; I528-A574 PolarHBondContact N-O 3.42Å; I528-F575 HydrophobicContact CB-CD1 3.95Å; I528-F575 HydrophobicContact CB-CE1 4.05Å; I528-F575 HydrophobicContact CD1-CE1 3.89Å; I528-F575 HydrophobicContact CD1-CZ 3.86Å; I528-F575 HydrophobicContact CG2-CD1 3.82Å; I528-F575 HydrophobicContact CG2-CE1 3.75Å; I528-F575 CarbonylContact O-C 3.54Å; I528-F575 WeakPolarHBondContact O-CA 3.18Å; I528-I576 PolarHBondContact O-N 2.86Å |
| 529 | E | 96.4 | Very high | 87.2 | Confident | 41 Ų | 41 | 51 Ų | 51 | 19% | 0.192 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 125 | 175.2 | -70.9 | 179.2 | 174.2 | 0 | 0 | 109.6 | V544 S545 R547 I576 V578 | E529-V544 PolarHBondContact O-N 3.04Å; E529-S545 PolarHBondContact N-O 3.41Å; E529-S545 PolarHBondContact O-N 3.48Å; E529-S545 WeakPolarHBondContact OE2-CB 3.23Å; E529-R547 IonicContact OE1-NH2 3.91Å; E529-I576 WeakPolarHBondContact CA-O 3.48Å; E529-V578 HydrophobicContact CB-CG1 3.65Å; E529-V578 HydrophobicContact CG-CG1 3.7Å |
| 530 | W | 95.3 | Very high | 87.8 | Confident | 46 Ų | 46 | 50 Ų | 50 | 17% | 0.174 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 159.5 | -177.9 | 74 | -82.8 | 0 | 0 | 0 | 112.4 | F451 K532 A541 Q542 I576 P577 V578 | F451-W530 HydrophobicContact CE2-CB 4.16Å; F451-W530 HydrophobicContact CE2-CD2 4.34Å; F451-W530 HydrophobicContact CE2-CG 4.16Å; F451-W530 HydrophobicContact CZ-CB 4.49Å; F451-W530 AromaticContact CZ-CD2 3.87Å; F451-W530 HydrophobicContact CZ-CD2 3.87Å; F451-W530 AromaticContact CZ-CE3 3.78Å; F451-W530 HydrophobicContact CZ-CE3 3.78Å; F451-W530 HydrophobicContact CZ-CG 4.19Å; F451-W530 HydrophobicContact CZ-CZ3 4.3Å; W530-K532 HydrophobicContact CZ3-CG 3.99Å; W530-A541 HydrophobicContact CE3-CB 4.3Å; W530-A541 HydrophobicContact CZ3-CB 4.31Å; W530-Q542 CarbonylContact C-O 3.59Å; W530-Q542 VanDerWaalsContact CA-O 3.27Å; W530-Q542 WeakPolarHBondContact CA-O 3.4Å; W530-Q542 WeakPolarHBondContact CB-O 3.4Å; W530-I576 PolarHBondContact N-O 3.39Å; W530-P577 HydrophobicContact CZ2-CB 4.19Å; W530-P577 WeakPolarHBondContact O-CA 3.23Å; W530-V578 WeakPolarHBondContact O-CG2 3.29Å; W530-V578 PolarHBondContact O-N 2.85Å |
| 531 | T | 92.3 | Very high | 88.3 | Confident | 25 Ų | 25 | 50.4 Ų | 50.4 | 15% | 0.153 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 162.3 | -175.9 | -172.1 | 0 | 0 | 0 | 0 | 112 | A541 Q542 V544 S579 | T531-A541 WeakPolarHBondContact O-CA 3.18Å; T531-Q542 HydrophobicContact CG2-CB 4.18Å; T531-Q542 PolarHBondContact N-O 3.49Å; T531-Q542 PolarHBondContact O-N 3.18Å; T531-V544 HydrophobicContact CG2-CG2 3.49Å; T531-V544 VanDerWaalsContact CG2-CG2 3.49Å; T531-S579 VanDerWaalsContact OG1-CB 3.28Å; T531-S579 WeakPolarHBondContact OG1-CB 3.18Å; T531-S579 PolarHBondContact OG1-OG 2.89Å |
| 532 | K | 88.3 | Confident | 88.6 | Confident | 127 Ų | 127 | 52.3 Ų | 52.3 | 55% | 0.552 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 107.4 | 169.6 | -81.4 | -174.1 | -178.9 | -175.5 | 0 | 109.6 | W530 P539 Q540 | W530-K532 HydrophobicContact CZ3-CG 3.99Å; K532-P539 HydrophobicContact CB-CB 3.79Å; K532-P539 HydrophobicContact CD-CB 3.95Å; K532-P539 HydrophobicContact CD-CG 4.03Å; K532-P539 HydrophobicContact CG-CB 4.07Å; K532-Q540 CarbonylContact C-O 3.57Å |
| 533 | Y | 84.5 | Confident | 89 | Confident | 121 Ų | 121 | 50.6 Ų | 50.6 | 48% | 0.475 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 146 | 179.6 | -174.5 | -94.8 | 0 | 0 | 0 | 112.1 | F492 Q540 | F492-Y533 HydrophobicContact CE1-CD1 4.45Å; F492-Y533 AromaticContact CZ-CD1 3.99Å; F492-Y533 HydrophobicContact CZ-CD1 3.99Å; F492-Y533 HydrophobicContact CZ-CG 4.24Å; Y533-Q540 PolarHBondContact N-O 2.93Å; Y533-Q540 PolarHBondContact O-N 2.92Å |
| 534 | G | 81.6 | Confident | 89.1 | Confident | 46 Ų | 46 | 53.4 Ų | 53.4 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 100 | -155.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 535 | S | 75.1 | Confident | 89.2 | Confident | 69 Ų | 69 | 53.7 Ų | 53.7 | 48% | 0.483 | 29% | 0.292 | S | S | . | . | trans | -71.6 | 152.5 | -174.8 | 75 | 0 | 0 | 0 | 0 | 112.5 | V537 N538 P539 | S535-V537 PolarHBondContact O-N 2.87Å; S535-N538 CarbonylContact O-C 3.53Å; S535-N538 VanDerWaalsContact O-C 3.3Å; S535-N538 PolarHBondContact O-N 3.34Å; S535-N538 PolarHBondContact OG-N 3.3Å; S535-N538 VanDerWaalsContact OG-N 3.1Å; S535-P539 WeakPolarHBondContact O-CA 3.32Å; S535-P539 WeakPolarHBondContact O-CD 3.49Å; S535-P539 VanDerWaalsContact O-N 3.12Å | ||
| 536 | L | 73.4 | Confident | 89.2 | Confident | 95 Ų | 95 | 51.2 Ų | 51.2 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -60.6 | -31.7 | 175.5 | -176.4 | 65.7 | 0 | 0 | 0 | 112.5 | A582 P584 | L536-A582 HydrophobicContact CD1-CB 3.35Å; L536-P584 HydrophobicContact CD2-CB 4.33Å; L536-P584 HydrophobicContact CD2-CG 4.08Å |
| 537 | V | 78.3 | Confident | 89.2 | Confident | 142 Ų | 142 | 56.4 Ų | 56.4 | 86% | 0.861 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -77.6 | -28.1 | -177.5 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | S535 | S535-V537 PolarHBondContact O-N 2.87Š|
| 538 | N | 78.7 | Confident | 89.1 | Confident | 105 Ų | 105 | 55.4 Ų | 55.4 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -143.8 | 69.3 | 179.4 | -172 | 22 | 0 | 0 | 0 | 112.1 | S535 Q540 | S535-N538 CarbonylContact O-C 3.53Å; S535-N538 VanDerWaalsContact O-C 3.3Å; S535-N538 PolarHBondContact O-N 3.34Å; S535-N538 PolarHBondContact OG-N 3.3Å; S535-N538 VanDerWaalsContact OG-N 3.1Å; N538-Q540 VanDerWaalsContact CG-NE2 3.27Å; N538-Q540 PolarHBondContact ND2-NE2 3.44Å; N538-Q540 PolarHBondContact O-NE2 3.16Å; N538-Q540 PolarHBondContact OD1-NE2 3.28Å |
| 539 | P | 84.9 | Confident | 88.8 | Confident | 50 Ų | 50 | 58.2 Ų | 58.2 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 135.6 | 179.4 | 27.4 | -32.3 | 0 | 0 | 0 | 111.7 | K532 S535 | K532-P539 HydrophobicContact CB-CB 3.79Å; K532-P539 HydrophobicContact CD-CB 3.95Å; K532-P539 HydrophobicContact CD-CG 4.03Å; K532-P539 HydrophobicContact CG-CB 4.07Å; S535-P539 WeakPolarHBondContact O-CA 3.32Å; S535-P539 WeakPolarHBondContact O-CD 3.49Å; S535-P539 VanDerWaalsContact O-N 3.12Å |
| 540 | Q | 89.7 | Confident | 88.5 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 127 | -178.6 | -57.5 | -57.2 | -48.7 | 0 | 0 | 109.9 | P400 F492 K532 Y533 N538 Q542 | P400-Q540 VanDerWaalsContact CD-OE1 3.28Å; P400-Q540 HydrophobicContact CG-CB 4.4Å; P400-Q540 HydrophobicContact CG-CG 3.81Å; F492-Q540 HydrophobicContact CE1-CB 4.36Å; K532-Q540 CarbonylContact C-O 3.57Å; Y533-Q540 PolarHBondContact N-O 2.93Å; Y533-Q540 PolarHBondContact O-N 2.92Å; N538-Q540 VanDerWaalsContact CG-NE2 3.27Å; N538-Q540 PolarHBondContact ND2-NE2 3.44Å; N538-Q540 PolarHBondContact O-NE2 3.16Å; N538-Q540 PolarHBondContact OD1-NE2 3.28Å; Q540-Q542 PolarHBondContact O-N 3.03Å |
| 541 | A | 91.9 | Very high | 88.1 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 11% | 0.107 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 125.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | G401 Y402 F451 W530 T531 | G401-A541 CarbonylContact C-O 3.46Å; G401-A541 WeakPolarHBondContact CA-O 3.04Å; Y402-A541 PolarHBondContact N-O 2.59Å; Y402-A541 WeakPolarHBondContact O-CB 3.04Å; F451-A541 HydrophobicContact CE1-CB 3.69Å; F451-A541 HydrophobicContact CZ-CB 3.59Å; W530-A541 HydrophobicContact CE3-CB 4.3Å; W530-A541 HydrophobicContact CZ3-CB 4.31Å; T531-A541 WeakPolarHBondContact O-CA 3.18Å |
| 542 | Q | 94.1 | Very high | 87.7 | Confident | 41 Ų | 41 | 61.2 Ų | 61.2 | 19% | 0.192 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 133.6 | -178.1 | -172.9 | -174.4 | 14.7 | 0 | 0 | 110 | S491 F492 W530 T531 Q540 | S491-Q542 CarbonylContact O-C 3.56Å; S491-Q542 VanDerWaalsContact O-CA 3.28Å; S491-Q542 WeakPolarHBondContact O-CA 3.4Å; S491-Q542 WeakPolarHBondContact O-CG 3.42Å; F492-Q542 HydrophobicContact CD1-CB 4.23Å; F492-Q542 HydrophobicContact CD1-CG 4.24Å; F492-Q542 HydrophobicContact CD2-CG 4.34Å; F492-Q542 HydrophobicContact CE1-CB 3.68Å; F492-Q542 HydrophobicContact CE1-CG 3.77Å; F492-Q542 HydrophobicContact CE2-CG 3.89Å; F492-Q542 VanDerWaalsContact CE2-NE2 3.32Å; F492-Q542 HydrophobicContact CZ-CB 3.93Å; F492-Q542 HydrophobicContact CZ-CG 3.58Å; W530-Q542 CarbonylContact C-O 3.59Å; W530-Q542 VanDerWaalsContact CA-O 3.27Å; W530-Q542 WeakPolarHBondContact CA-O 3.4Å; W530-Q542 WeakPolarHBondContact CB-O 3.4Å; T531-Q542 HydrophobicContact CG2-CB 4.18Å; T531-Q542 PolarHBondContact N-O 3.49Å; T531-Q542 PolarHBondContact O-N 3.18Å; Q540-Q542 PolarHBondContact O-N 3.03Å |
| 543 | I | 95.8 | Very high | 87 | Confident | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 130 | 170.8 | -63 | 176.2 | 0 | 0 | 0 | 108.8 | Y402 L408 F451 V489 S491 I528 I546 | Y402-I543 HydrophobicContact CD2-CD1 4.07Å; Y402-I543 HydrophobicContact CD2-CG1 4.05Å; Y402-I543 HydrophobicContact CE1-CD1 4.49Å; Y402-I543 HydrophobicContact CE2-CD1 3.55Å; Y402-I543 HydrophobicContact CE2-CG1 3.84Å; L408-I543 HydrophobicContact CD1-CD1 4.23Å; L408-I543 HydrophobicContact CD2-CD1 3.62Å; F451-I543 HydrophobicContact CD2-CD1 4.48Å; F451-I543 HydrophobicContact CE2-CG1 4.29Å; V489-I543 HydrophobicContact CG1-CD1 3.98Å; S491-I543 PolarHBondContact O-N 2.86Å; I528-I543 HydrophobicContact CG2-CD1 4.32Å; I528-I543 HydrophobicContact CG2-CG1 4.33Å; I528-I543 HydrophobicContact CG2-CG2 4.09Å; I543-I546 HydrophobicContact CG2-CD1 4.07Å; I543-I546 HydrophobicContact CG2-CG1 3.84Å |
| 544 | V | 94.1 | Very high | 85.6 | Confident | 69 Ų | 69 | 59.5 Ų | 59.5 | 42% | 0.418 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -43.8 | -176.6 | -178.6 | 0 | 0 | 0 | 0 | 111 | E529 T531 V578 | E529-V544 PolarHBondContact O-N 3.04Å; T531-V544 HydrophobicContact CG2-CG2 3.49Å; T531-V544 VanDerWaalsContact CG2-CG2 3.49Å; V544-V578 HydrophobicContact CG2-CG2 4.06Å |
| 545 | S | 94.9 | Very high | 84.1 | Confident | 13 Ų | 13 | 61.2 Ų | 61.2 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 147.3 | -175.4 | 169 | 0 | 0 | 0 | 0 | 110.3 | E529 | E529-S545 PolarHBondContact N-O 3.41Å; E529-S545 PolarHBondContact O-N 3.48Å; E529-S545 WeakPolarHBondContact OE2-CB 3.23Å |
| 546 | I | 95.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 130.6 | 171.5 | -57.9 | -178.2 | 0 | 0 | 0 | 108.8 | V489 I506 K507 E527 I528 I543 | V489-I546 HydrophobicContact CB-CD1 3.4Å; V489-I546 HydrophobicContact CG1-CD1 3.62Å; V489-I546 HydrophobicContact CG2-CD1 3.39Å; I506-I546 HydrophobicContact CG1-CG2 4.3Å; I506-I546 HydrophobicContact CG2-CG2 4.18Å; K507-I546 PolarHBondContact N-O 2.98Å; K507-I546 VanDerWaalsContact N-O 3.12Å; E527-I546 WeakPolarHBondContact O-CA 3.47Å; I528-I546 HydrophobicContact CG1-CG1 4.28Å; I528-I546 HydrophobicContact CG1-CG2 4.27Å; I528-I546 HydrophobicContact CG2-CG1 4.2Å; I543-I546 HydrophobicContact CG2-CD1 4.07Å; I543-I546 HydrophobicContact CG2-CG1 3.84Å |
| 547 | R | 94.7 | Very high | 81.6 | Confident | 112 Ų | 112 | 60.3 Ų | 60.3 | 42% | 0.423 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 129.4 | 175.6 | -62.2 | -179.8 | -173.3 | 172.7 | 9.2 | 110.1 | K507 L526 E527 E529 | K507-R547 CarbonylContact O-C 3.48Å; K507-R547 WeakPolarHBondContact O-CA 3.38Å; L526-R547 WeakPolarHBondContact CA-O 3.31Å; E527-R547 HydrophobicContact CB-CB 4.4Å; E527-R547 PolarHBondContact N-O 3.49Å; E527-R547 PolarHBondContact O-N 3.03Å; E529-R547 IonicContact OE1-NH2 3.91Å |
| 548 | E | 93.6 | Very high | 80.1 | Confident | 17 Ų | 17 | 57.1 Ų | 57.1 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 117.6 | 168.6 | -175.6 | -161.4 | -127.8 | 0 | 0 | 108.3 | R481 I506 K507 S508 N509 L524 L526 I550 | R481-E548 WeakPolarHBondContact CG-OE1 3.35Å; R481-E548 IonicContact CZ-OE1 3.76Å; R481-E548 IonicContact CZ-OE2 3.46Å; R481-E548 IonicContact NE-OE1 2.9Å; R481-E548 PolarHBondContact NE-OE1 2.92Å; R481-E548 IonicContact NE-OE2 3.4Å; R481-E548 PolarHBondContact NE-OE2 3.39Å; R481-E548 IonicContact NH2-OE1 3.75Å; R481-E548 IonicContact NH2-OE2 2.72Å; R481-E548 PolarHBondContact NH2-OE2 3.47Å; I506-E548 HydrophobicContact CG2-CB 4.11Å; K507-E548 PolarHBondContact O-N 3.14Å; S508-E548 WeakPolarHBondContact CA-O 3.23Å; S508-E548 WeakPolarHBondContact CB-OE2 3.49Å; S508-E548 PolarHBondContact OG-OE2 2.87Å; N509-E548 PolarHBondContact N-O 3.3Å; N509-E548 VanDerWaalsContact N-O 3.14Å; N509-E548 PolarHBondContact OD1-O 3.37Å; L524-E548 HydrophobicContact CD1-CG 4.24Å; L524-E548 WeakPolarHBondContact CD1-OE1 3.36Å; L524-E548 HydrophobicContact CG-CG 4.16Å; L526-E548 HydrophobicContact CD2-CB 3.96Å; L526-E548 HydrophobicContact CD2-CG 4.07Å; E548-I550 HydrophobicContact CG-CG1 4.17Å |
| 549 | M | 92.2 | Very high | 78.5 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 29% | 0.286 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 112.9 | 175.8 | -71 | 178.9 | -88.4 | 0 | 0 | 109.1 | H525 E527 | H525-M549 HydrophobicContact CB-CB 4.38Å; H525-M549 PolarHBondContact N-O 3.22Å; H525-M549 PolarHBondContact O-N 2.68Å; E527-M549 HydrophobicContact CB-CE 3.47Å; E527-M549 VanDerWaalsContact CB-CE 3.47Å; E527-M549 HydrophobicContact CG-CE 4.26Å; E527-M549 WeakPolarHBondContact OE2-CE 3.2Å |
| 550 | I | 89.4 | Confident | 76.8 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.046 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 122.9 | 173.3 | -58.7 | 178.7 | 0 | 0 | 0 | 108.4 | L477 N509 M510 P521 S523 E548 T552 | L477-I550 HydrophobicContact CD1-CD1 3.51Å; N509-I550 PolarHBondContact ND2-N 2.85Å; N509-I550 PolarHBondContact ND2-O 2.86Å; N509-I550 PolarHBondContact OD1-N 2.86Å; M510-I550 HydrophobicContact CB-CD1 4.26Å; M510-I550 HydrophobicContact SD-CB 4.31Å; M510-I550 HydrophobicContact SD-CD1 4.03Å; M510-I550 HydrophobicContact SD-CG2 3.95Å; P521-I550 HydrophobicContact CB-CG2 3.64Å; S523-I550 VanDerWaalsContact O-CA 3.31Å; S523-I550 WeakPolarHBondContact O-CA 3.39Å; E548-I550 HydrophobicContact CG-CG1 4.17Å; I550-T552 HydrophobicContact CG2-CG2 4.31Å |
| 551 | E | 87 | Confident | 74.6 | Confident | 132 Ų | 132 | 61.6 Ų | 61.6 | 62% | 0.617 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.7 | 172 | -55.1 | 173.9 | 145.9 | 0 | 0 | 109.5 | L522 S523 | L522-E551 PolarHBondContact N-O 2.91Å; S523-E551 PolarHBondContact N-O 2.69Å; S523-E551 PolarHBondContact O-N 2.85Å; S523-E551 VanDerWaalsContact O-N 3.13Å; S523-E551 WeakPolarHBondContact OG-CB 3.35Å; S523-E551 VanDerWaalsContact OG-CD 3.25Å; S523-E551 WeakPolarHBondContact OG-CG 3.3Å; S523-E551 PolarHBondContact OG-OE2 3.39Å |
| 552 | T | 83.1 | Confident | 72.4 | Confident | 34 Ų | 34 | 64.8 Ų | 64.8 | 21% | 0.209 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 151.1 | 177.5 | 61 | 0 | 0 | 0 | 0 | 111.2 | M510 Q519 I520 P521 I550 Q554 | M510-T552 HydrophobicContact CE-CG2 3.92Å; Q519-T552 HydrophobicContact CB-CG2 4.11Å; I520-T552 VanDerWaalsContact O-CA 3.23Å; I520-T552 WeakPolarHBondContact O-CA 3.45Å; P521-T552 HydrophobicContact CB-CG2 4.49Å; I550-T552 HydrophobicContact CG2-CG2 4.31Å; T552-Q554 PolarHBondContact O-N 3.06Å |
| 553 | N | 73.5 | Confident | 70.2 | Confident | 43 Ų | 43 | 65.4 Ų | 65.4 | 23% | 0.23 | 40% | 0.404 | C | S | . | . | trans | -73 | 108.6 | 171.7 | -164.9 | -12 | 0 | 0 | 0 | 109.9 | I520 L522 S555 | I520-N553 PolarHBondContact O-N 3.31Å; L522-N553 HydrophobicContact CD1-CB 3.94Å; L522-N553 HydrophobicContact CG-CB 4.45Å; N553-S555 VanDerWaalsContact C-N 3.34Å; N553-S555 WeakPolarHBondContact OD1-CB 3.5Å; N553-S555 PolarHBondContact OD1-N 3.13Å | ||
| 554 | Q | 56.9 | Low | 68.3 | Low | 169 Ų | 169 | 69.3 Ų | 69.3 | 79% | 0.79 | 43% | 0.431 | S | S | * | . | trans | -83.6 | -7.8 | 175.8 | -70.7 | -170.2 | -13.1 | 0 | 0 | 113.5 | T552 | T552-Q554 PolarHBondContact O-N 3.06Š| ||
| 555 | S | 48.1 | Very low | 67 | Low | 83 Ų | 83 | 67.8 Ų | 67.8 | 58% | 0.58 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -87 | 124.3 | -177.8 | -51.7 | 0 | 0 | 0 | 0 | 109.1 | N553 L557 | N553-S555 VanDerWaalsContact C-N 3.34Å; N553-S555 WeakPolarHBondContact OD1-CB 3.5Å; N553-S555 PolarHBondContact OD1-N 3.13Å; S555-L557 PolarHBondContact O-N 3.26Å; S555-L557 VanDerWaalsContact O-N 3.14Å |
| 556 | S | 48.2 | Very low | 66.2 | Low | 90 Ų | 90 | 72.2 Ų | 72.2 | 63% | 0.629 | 45% | 0.445 | S | S | * | . | trans | -41 | 124.1 | 171.5 | 56.3 | 0 | 0 | 0 | 0 | 109.7 | A558 P559 | S556-A558 PolarHBondContact O-N 2.76Å; S556-P559 WeakPolarHBondContact O-CD 3.37Å | ||
| 557 | L | 49.7 | Very low | 65.6 | Low | 55 Ų | 55 | 73.4 Ų | 73.4 | 29% | 0.288 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -58.5 | 1.8 | 179.4 | -76 | 148.5 | 0 | 0 | 0 | 114.5 | L463 C518 I520 S555 P559 L560 | L463-L557 HydrophobicContact CD2-CD2 4.22Å; C518-L557 WeakPolarHBondContact SG-CD1 3.41Å; I520-L557 HydrophobicContact CD1-CD1 3.83Å; I520-L557 HydrophobicContact CD1-CD2 3.93Å; I520-L557 HydrophobicContact CD1-CG 4.4Å; S555-L557 PolarHBondContact O-N 3.26Å; S555-L557 VanDerWaalsContact O-N 3.14Å; L557-P559 VanDerWaalsContact C-CD 3.48Å; L557-L560 HydrophobicContact CD2-CD1 4.33Å; L557-L560 PolarHBondContact O-N 2.9Å |
| 558 | A | 46.5 | Very low | 65.3 | Low | 74 Ų | 74 | 71.3 Ų | 71.3 | 61% | 0.612 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -65.4 | -28.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | S556 | S556-A558 PolarHBondContact O-N 2.76Š|
| 559 | P | 45 | Very low | 65.2 | Low | 107 Ų | 107 | 70.6 Ų | 70.6 | 70% | 0.695 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -89.2 | 0.5 | 178.6 | 32.6 | -27.7 | 0 | 0 | 0 | 113.6 | S556 L557 | S556-P559 WeakPolarHBondContact O-CD 3.37Å; L557-P559 VanDerWaalsContact C-CD 3.48Å |
| 560 | L | 48.6 | Very low | 65.2 | Low | 63 Ų | 63 | 74.6 Ų | 74.6 | 33% | 0.33 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -91.6 | -1.2 | -179.9 | -64.7 | 163.2 | 0 | 0 | 0 | 113.2 | L463 L557 G562 | L463-L560 HydrophobicContact CD1-CB 3.71Å; L463-L560 HydrophobicContact CD1-CD1 3.66Å; L463-L560 HydrophobicContact CD1-CD2 4.14Å; L463-L560 HydrophobicContact CD1-CG 4.02Å; L463-L560 HydrophobicContact CD2-CD1 4.4Å; L557-L560 HydrophobicContact CD2-CD1 4.33Å; L557-L560 PolarHBondContact O-N 2.9Å; L560-G562 PolarHBondContact O-N 2.98Å |
| 561 | S | 44.5 | Very low | 65.4 | Low | 111 Ų | 111 | 74.1 Ų | 74.1 | 78% | 0.776 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 49.2 | -178.9 | -50.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 562 | G | 44.6 | Very low | 65.7 | Low | 80 Ų | 80 | 68.7 Ų | 68.7 | 83% | 0.825 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -149 | -4.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | L560 | L560-G562 PolarHBondContact O-N 2.98Š|
| 563 | G | 47.9 | Very low | 66.4 | Low | 54 Ų | 54 | 67.4 Ų | 67.4 | 56% | 0.557 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -166.2 | 155.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | S565 | G563-S565 PolarHBondContact O-N 3.15Š|
| 564 | S | 55.2 | Low | 67.5 | Low | 82 Ų | 82 | 66.3 Ų | 66.3 | 57% | 0.573 | 43% | 0.425 | S | S | * | . | trans | -60.4 | 88.3 | 172.9 | -169.5 | 0 | 0 | 0 | 0 | 109 | E464 | E464-S564 WeakPolarHBondContact OE1-CB 3.4Å; E464-S564 PolarHBondContact OE1-OG 2.91Å | ||
| 565 | S | 68.2 | Low | 69.4 | Low | 38 Ų | 38 | 59 Ų | 59 | 27% | 0.266 | 39% | 0.391 | S | S | . | . | trans | -101 | 120.1 | -175.8 | 158.6 | 0 | 0 | 0 | 0 | 107.7 | L463 G563 | L463-S565 WeakPolarHBondContact CB-O 3.1Å; L463-S565 WeakPolarHBondContact CD1-O 3.41Å; L463-S565 VanDerWaalsContact CD1-OG 3.25Å; L463-S565 WeakPolarHBondContact CD1-OG 3.18Å; L463-S565 WeakPolarHBondContact CG-O 3.38Å; L463-S565 PolarHBondContact N-O 3.04Å; G563-S565 PolarHBondContact O-N 3.15Å | ||
| 566 | I | 78.6 | Confident | 71.6 | Confident | 106 Ų | 106 | 58.1 Ų | 58.1 | 54% | 0.544 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129.8 | 179.2 | -62.1 | 171.9 | 0 | 0 | 0 | 107.4 | T460 L461 | T460-I566 VanDerWaalsContact CB-CG2 3.47Å; T460-I566 HydrophobicContact CG2-CG2 4.03Å; L461-I566 WeakPolarHBondContact O-CA 3.21Å |
| 567 | V | 83.1 | Confident | 73.7 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 15% | 0.145 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128 | -179.2 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | T460 L461 L463 L522 | T460-V567 WeakPolarHBondContact CA-O 3.34Å; L461-V567 PolarHBondContact N-O 3.38Å; L461-V567 PolarHBondContact O-N 2.65Å; L463-V567 HydrophobicContact CD1-CG2 4.2Å; L463-V567 HydrophobicContact CD2-CG2 3.81Å; L463-V567 HydrophobicContact CG-CG2 3.97Å; L522-V567 HydrophobicContact CD1-CG1 3.91Å; L522-V567 HydrophobicContact CD2-CG1 3.57Å; L522-V567 HydrophobicContact CG-CG1 4.35Å |
| 568 | P | 88 | Confident | 75.6 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 131.2 | 175.5 | 30.4 | -33.1 | 0 | 0 | 0 | 110.6 | ||
| 569 | V | 90.4 | Very high | 77.2 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.006 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.5 | 171.7 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | C439 G458 C459 L461 L476 L480 L522 | C439-V569 VanDerWaalsContact SG-CB 3.53Å; C439-V569 VanDerWaalsContact SG-CG2 3.59Å; G458-V569 CarbonylContact C-O 3.6Å; G458-V569 WeakPolarHBondContact CA-O 3.32Å; C459-V569 PolarHBondContact N-O 3.39Å; C459-V569 PolarHBondContact O-N 3.09Å; C459-V569 VanDerWaalsContact O-O 3.13Å; L461-V569 HydrophobicContact CB-CG2 4.07Å; L476-V569 HydrophobicContact CD2-CG1 4.48Å; L476-V569 HydrophobicContact CD2-CG2 4.14Å; L480-V569 HydrophobicContact CD1-CG1 4.3Å; L480-V569 HydrophobicContact CD2-CG1 3.75Å; L480-V569 HydrophobicContact CG-CG1 4.21Å; L522-V569 HydrophobicContact CD2-CG2 4.45Å; L522-V569 CarbonylContact O-C 3.48Å; L522-V569 WeakPolarHBondContact O-CA 3.44Å |
| 570 | R | 91.9 | Very high | 78.4 | Confident | 142 Ų | 142 | 56.7 Ų | 56.7 | 54% | 0.536 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.9 | -171.1 | -63 | -179.4 | -179.7 | 169.2 | -0.3 | 112.5 | S457 L522 S523 L524 | S457-R570 WeakPolarHBondContact O-CA 3.3Å; L522-R570 PolarHBondContact O-N 3.45Å; S523-R570 CarbonylContact C-O 3.53Å; S523-R570 VanDerWaalsContact CA-O 3.23Å; S523-R570 WeakPolarHBondContact CA-O 3.19Å; L524-R570 PolarHBondContact N-O 3.31Å |
| 571 | S | 93.6 | Very high | 79.3 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 129.4 | 171.9 | -168 | 0 | 0 | 0 | 0 | 107.9 | L430 M456 S457 L524 | L430-S571 VanDerWaalsContact CD2-OG 3.23Å; L430-S571 WeakPolarHBondContact CD2-OG 3.17Å; M456-S571 CarbonylContact C-O 3.54Å; M456-S571 WeakPolarHBondContact CA-O 3.12Å; S457-S571 PolarHBondContact N-O 3.39Å; S457-S571 PolarHBondContact O-N 3.5Å; S457-S571 VanDerWaalsContact O-O 3.12Å; S457-S571 PolarHBondContact OG-O 2.79Å; L524-S571 CarbonylContact O-C 3.56Å; L524-S571 VanDerWaalsContact O-CA 3.32Å; L524-S571 WeakPolarHBondContact O-CA 3.42Å |
| 572 | S | 95.4 | Very high | 80.3 | Confident | 18 Ų | 18 | 56.5 Ų | 56.5 | 13% | 0.126 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 158.7 | -175.1 | 53.3 | 0 | 0 | 0 | 0 | 113.2 | Y455 L524 H525 L526 | Y455-S572 CarbonylContact O-C 3.57Å; Y455-S572 WeakPolarHBondContact O-CA 3.17Å; Y455-S572 WeakPolarHBondContact O-CB 2.9Å; L524-S572 PolarHBondContact O-N 2.03Å; H525-S572 CarbonylContact C-O 3.57Å; H525-S572 WeakPolarHBondContact CA-O 3.31Å; H525-S572 PolarHBondContact ND1-OG 2.92Å; L526-S572 PolarHBondContact N-O 3.31Å |
| 573 | V | 96.7 | Very high | 81.4 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 4% | 0.036 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 141.5 | 173.1 | 59.5 | 0 | 0 | 0 | 0 | 110.4 | L430 V449 D454 Y455 L526 I528 F575 | L430-V573 HydrophobicContact CD1-CB 3.81Å; L430-V573 HydrophobicContact CD1-CG1 3.49Å; L430-V573 VanDerWaalsContact CD1-CG1 3.49Å; V449-V573 HydrophobicContact CG1-CB 4.48Å; V449-V573 HydrophobicContact CG1-CG1 4.33Å; V449-V573 HydrophobicContact CG1-CG2 3.91Å; D454-V573 WeakPolarHBondContact CA-O 3.34Å; Y455-V573 PolarHBondContact N-O 3.17Å; Y455-V573 VanDerWaalsContact N-O 3.15Å; Y455-V573 PolarHBondContact O-N 3.14Å; L526-V573 HydrophobicContact CB-CB 4.13Å; L526-V573 HydrophobicContact CB-CG2 4.01Å; L526-V573 CarbonylContact O-C 3.58Å; L526-V573 VanDerWaalsContact O-CA 3.25Å; L526-V573 WeakPolarHBondContact O-CA 3.45Å; I528-V573 HydrophobicContact CD1-CG2 3.59Å; I528-V573 HydrophobicContact CG1-CG2 4.02Å; V573-F575 HydrophobicContact CG2-CD2 4.36Å; V573-F575 HydrophobicContact CG2-CE2 3.91Å; V573-F575 HydrophobicContact CG2-CZ 4.39Å |
| 574 | A | 96.4 | Very high | 82.2 | Confident | 21 Ų | 21 | 61.1 Ų | 61.1 | 17% | 0.174 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 136.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | D454 L526 I528 | D454-A574 WeakPolarHBondContact OD1-CA 3.28Å; L526-A574 PolarHBondContact O-N 2.83Å; I528-A574 PolarHBondContact N-O 3.42Å |
| 575 | F | 96.1 | Very high | 82.7 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 7% | 0.07 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 108 | 176.5 | -73.8 | -90.7 | 0 | 0 | 0 | 111.1 | L408 V449 L450 F451 Q453 D454 I528 V573 | L408-F575 HydrophobicContact CD1-CE1 4.39Å; L408-F575 HydrophobicContact CD1-CZ 4.27Å; V449-F575 HydrophobicContact CG1-CE2 4.29Å; V449-F575 HydrophobicContact CG1-CZ 3.91Å; L450-F575 WeakPolarHBondContact O-CE2 3.25Å; L450-F575 WeakPolarHBondContact O-CZ 3.11Å; F451-F575 HydrophobicContact CD2-CD1 4.15Å; F451-F575 AromaticContact CD2-CE1 3.7Å; F451-F575 HydrophobicContact CD2-CE1 3.7Å; F451-F575 HydrophobicContact CE2-CD1 4.25Å; F451-F575 HydrophobicContact CE2-CE1 4.23Å; F451-F575 HydrophobicContact CG-CE1 4.41Å; Q453-F575 WeakPolarHBondContact O-CE2 3.34Å; D454-F575 PolarHBondContact OD1-N 3.47Å; I528-F575 HydrophobicContact CB-CD1 3.95Å; I528-F575 HydrophobicContact CB-CE1 4.05Å; I528-F575 HydrophobicContact CD1-CE1 3.89Å; I528-F575 HydrophobicContact CD1-CZ 3.86Å; I528-F575 HydrophobicContact CG2-CD1 3.82Å; I528-F575 HydrophobicContact CG2-CE1 3.75Å; I528-F575 CarbonylContact O-C 3.54Å; I528-F575 WeakPolarHBondContact O-CA 3.18Å; V573-F575 HydrophobicContact CG2-CD2 4.36Å; V573-F575 HydrophobicContact CG2-CE2 3.91Å; V573-F575 HydrophobicContact CG2-CZ 4.39Å |
| 576 | I | 95.1 | Very high | 82.4 | Confident | 63 Ų | 63 | 70 Ų | 70 | 32% | 0.323 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 116.7 | -176.4 | -54.8 | -175.2 | 0 | 0 | 0 | 110.3 | E527 I528 E529 W530 V578 | E527-I576 HydrophobicContact CG-CD1 3.4Å; E527-I576 HydrophobicContact CG-CG1 4.15Å; I528-I576 PolarHBondContact O-N 2.86Å; E529-I576 WeakPolarHBondContact CA-O 3.48Å; W530-I576 PolarHBondContact N-O 3.39Å; I576-V578 PolarHBondContact O-N 3.46Å |
| 577 | P | 91.6 | Very high | 81.4 | Confident | 83 Ų | 83 | 74.6 Ų | 74.6 | 54% | 0.539 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 119.2 | 173.3 | 29.7 | -32.1 | 0 | 0 | 0 | 110.4 | W530 | W530-P577 HydrophobicContact CZ2-CB 4.19Å; W530-P577 WeakPolarHBondContact O-CA 3.23Å |
| 578 | V | 89.9 | Confident | 80.5 | Confident | 68 Ų | 68 | 78 Ų | 78 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | trans | -97.2 | -6.5 | -177.7 | -63.6 | 0 | 0 | 0 | 0 | 114.4 | E529 W530 V544 I576 | E529-V578 HydrophobicContact CB-CG1 3.65Å; E529-V578 HydrophobicContact CG-CG1 3.7Å; W530-V578 WeakPolarHBondContact O-CG2 3.29Å; W530-V578 PolarHBondContact O-N 2.85Å; V544-V578 HydrophobicContact CG2-CG2 4.06Å; I576-V578 PolarHBondContact O-N 3.46Å | ||
| 579 | S | 79.9 | Confident | 79.6 | Confident | 53 Ų | 53 | 79 Ų | 79 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -91.1 | 137.5 | 175.3 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | T531 | T531-S579 VanDerWaalsContact OG1-CB 3.28Å; T531-S579 WeakPolarHBondContact OG1-CB 3.18Å; T531-S579 PolarHBondContact OG1-OG 2.89Å |
| 580 | A | 70.2 | Confident | 78.3 | Confident | 93 Ų | 93 | 84.4 Ų | 84.4 | 77% | 0.769 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 154.9 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A582 | A580-A582 PolarHBondContact O-N 3.33Š|
| 581 | A | 68.9 | Low | 77.2 | Confident | 92 Ų | 92 | 82.5 Ų | 82.5 | 76% | 0.76 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 131.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | V583 | A581-V583 PolarHBondContact O-N 3.5Š|
| 582 | A | 65.2 | Low | 76.2 | Confident | 77 Ų | 77 | 89.6 Ų | 89.6 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 124.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L536 A580 | L536-A582 HydrophobicContact CD1-CB 3.35Å; A580-A582 PolarHBondContact O-N 3.33Å |
| 583 | V | 66.3 | Low | 74.9 | Confident | 121 Ų | 121 | 96.2 Ų | 96.2 | 73% | 0.733 | 60% | 0.597 | S | S | * | * | trans | -106.3 | 141.5 | 178.9 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | A581 G585 | A581-V583 PolarHBondContact O-N 3.5Å; V583-G585 PolarHBondContact O-N 3.36Å | ||
| 584 | P | 66.2 | Low | 74 | Confident | 110 Ų | 110 | 98.8 Ų | 98.8 | 71% | 0.714 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -57.8 | 125.5 | 173.1 | -21.3 | 31.7 | 0 | 0 | 0 | 111.3 | L536 | L536-P584 HydrophobicContact CD2-CB 4.33Å; L536-P584 HydrophobicContact CD2-CG 4.08Å |
| 585 | G | 65.9 | Low | 73.1 | Confident | 71 Ų | 71 | 107.7 Ų | 107.7 | 73% | 0.732 | 65% | 0.654 | S | S | * | * | S | Bend | trans | 155.6 | 174.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | V583 | V583-G585 PolarHBondContact O-N 3.36Š|
| 586 | Y | 60.9 | Low | 72.5 | Confident | 237 Ų | 237 | 111.1 Ų | 111.1 | 93% | 0.929 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 144.5 | 170.6 | -66 | -81 | 0 | 0 | 0 | 110 | A588 | Y586-A588 PolarHBondContact O-N 3.21Š|
| 587 | R | 57.9 | Low | 72 | Confident | 202 Ų | 202 | 112.1 Ų | 112.1 | 76% | 0.762 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 137.1 | 168.1 | -80.4 | -170.9 | 178.4 | -165.5 | 0.3 | 108.5 | A589 | R587-A589 PolarHBondContact O-N 3.12Š|
| 588 | A | 63.8 | Low | 71.6 | Confident | 94 Ų | 94 | 118 Ų | 118 | 78% | 0.777 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 133.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | Y586 | Y586-A588 PolarHBondContact O-N 3.21Š|
| 589 | A | 69.1 | Low | 71.4 | Confident | 90 Ų | 90 | 118.9 Ų | 118.9 | 74% | 0.744 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 130.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | R587 S591 | R587-A589 PolarHBondContact O-N 3.12Å; A589-S591 PolarHBondContact O-N 1.98Å |
| 590 | P | 63.7 | Low | 71.6 | Confident | 115 Ų | 115 | 122 Ų | 122 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 131.5 | -179.5 | 23.3 | -32 | 0 | 0 | 0 | 109.1 | I592 | P590-I592 PolarHBondContact O-N 3.41Š|
| 591 | S | 69.4 | Low | 72.3 | Confident | 102 Ų | 102 | 123.5 Ų | 123.5 | 71% | 0.713 | 70% | 0.7 | S | S | * | * | trans | -68.7 | 105.5 | 174.8 | 57.3 | 0 | 0 | 0 | 0 | 108.8 | A589 N593 | A589-S591 PolarHBondContact O-N 1.98Å; S591-N593 PolarHBondContact O-N 3.05Å; S591-N593 VanDerWaalsContact O-N 3.07Å | ||
| 592 | I | 71.3 | Confident | 72.6 | Confident | 149 Ų | 149 | 127.3 Ų | 127.3 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | trans | -75.4 | 97.1 | 172.6 | -57.1 | 175.4 | 0 | 0 | 0 | 107.4 | P590 A594 | P590-I592 PolarHBondContact O-N 3.41Å; I592-A594 HydrophobicContact CG2-CB 3.84Å; I592-A594 PolarHBondContact O-N 3.44Å | ||
| 593 | N | 68.9 | Low | 73.3 | Confident | 157 Ų | 157 | 127.9 Ų | 127.9 | 84% | 0.84 | 70% | 0.697 | S | S | * | * | trans | -76.7 | 66 | 168.6 | -88.2 | -36.2 | 0 | 0 | 0 | 109.9 | S591 | S591-N593 PolarHBondContact O-N 3.05Å; S591-N593 VanDerWaalsContact O-N 3.07Å | ||
| 594 | A | 77.3 | Confident | 73.5 | Confident | 61 Ų | 61 | 130.9 Ų | 130.9 | 50% | 0.504 | 70% | 0.7 | S | S | . | * | trans | -82.4 | 117.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | I592 L596 | I592-A594 HydrophobicContact CG2-CB 3.84Å; I592-A594 PolarHBondContact O-N 3.44Å; A594-L596 HydrophobicContact CB-CD2 4.31Å; A594-L596 HydrophobicContact CB-CG 4.31Å; A594-L596 PolarHBondContact O-N 3.2Å | ||
| 595 | K | 77.8 | Confident | 73.2 | Confident | 208 Ų | 208 | 134.2 Ų | 134.2 | 90% | 0.904 | 72% | 0.718 | S | S | * | * | trans | -82.8 | 99.5 | 163.5 | -73.8 | -175 | 178.2 | -179.5 | 0 | 107.9 | ||||
| 596 | L | 83.1 | Confident | 73.5 | Confident | 88 Ų | 88 | 137.4 Ų | 137.4 | 46% | 0.461 | 72% | 0.718 | S | S | . | * | trans | -84.9 | 144 | 176.6 | -62.1 | 172.4 | 0 | 0 | 0 | 110.2 | A594 F600 | A594-L596 HydrophobicContact CB-CD2 4.31Å; A594-L596 HydrophobicContact CB-CG 4.31Å; A594-L596 PolarHBondContact O-N 3.2Å; L596-F600 HydrophobicContact CB-CB 4.03Å; L596-F600 HydrophobicContact CB-CD2 4.44Å; L596-F600 HydrophobicContact CB-CG 4.11Å; L596-F600 HydrophobicContact CD1-CD1 3.68Å; L596-F600 HydrophobicContact CD1-CD2 4.44Å; L596-F600 HydrophobicContact CD1-CE1 3.84Å; L596-F600 HydrophobicContact CD1-CG 3.99Å; L596-F600 HydrophobicContact CD1-CZ 4.29Å; L596-F600 HydrophobicContact CD2-CD1 4.5Å; L596-F600 HydrophobicContact CD2-CD2 3.8Å; L596-F600 HydrophobicContact CD2-CE2 3.81Å; L596-F600 HydrophobicContact CD2-CG 4.15Å; L596-F600 HydrophobicContact CD2-CZ 4.17Å; L596-F600 HydrophobicContact CG-CD1 4.47Å; L596-F600 HydrophobicContact CG-CD2 4.44Å; L596-F600 HydrophobicContact CG-CG 4.3Å | ||
| 597 | P | 84.8 | Confident | 74.2 | Confident | 84 Ų | 84 | 132.1 Ų | 132.1 | 55% | 0.545 | 71% | 0.706 | S | S | . | * | trans | -55.3 | 156.3 | 168.7 | -24.2 | 34.7 | 0 | 0 | 0 | 112.1 | D599 F600 | P597-D599 VanDerWaalsContact CB-OD1 3.28Å; P597-D599 WeakPolarHBondContact CB-OD1 3.01Å; P597-D599 PolarHBondContact O-N 3.25Å; P597-D599 VanDerWaalsContact O-N 3.1Å; P597-F600 WeakPolarHBondContact O-CB 3.43Å; P597-F600 PolarHBondContact O-N 3.18Å | ||
| 598 | F | 84.1 | Confident | 75.1 | Confident | 207 Ų | 207 | 128.2 Ų | 128.2 | 91% | 0.908 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -19 | -174 | 74.6 | -88.9 | 0 | 0 | 0 | 114.1 | ||
| 599 | D | 84.5 | Confident | 75.7 | Confident | 86 Ų | 86 | 130.2 Ų | 130.2 | 46% | 0.46 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108 | 7.7 | -174.8 | 60.7 | -22.3 | 0 | 0 | 0 | 113.5 | P597 F601 F602 | P597-D599 VanDerWaalsContact CB-OD1 3.28Å; P597-D599 WeakPolarHBondContact CB-OD1 3.01Å; P597-D599 PolarHBondContact O-N 3.25Å; P597-D599 VanDerWaalsContact O-N 3.1Å; D599-F601 PolarHBondContact O-N 3.01Å; D599-F602 WeakPolarHBondContact O-CB 3.45Å; D599-F602 PolarHBondContact O-N 3.41Å |
| 600 | F | 84.9 | Confident | 76.2 | Confident | 118 Ų | 118 | 132.8 Ų | 132.8 | 52% | 0.518 | 70% | 0.696 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -53.7 | -30.4 | -174.9 | -179.1 | -94.8 | 0 | 0 | 0 | 114.2 | L596 P597 | L596-F600 HydrophobicContact CB-CB 4.03Å; L596-F600 HydrophobicContact CB-CD2 4.44Å; L596-F600 HydrophobicContact CB-CG 4.11Å; L596-F600 HydrophobicContact CD1-CD1 3.68Å; L596-F600 HydrophobicContact CD1-CD2 4.44Å; L596-F600 HydrophobicContact CD1-CE1 3.84Å; L596-F600 HydrophobicContact CD1-CG 3.99Å; L596-F600 HydrophobicContact CD1-CZ 4.29Å; L596-F600 HydrophobicContact CD2-CD1 4.5Å; L596-F600 HydrophobicContact CD2-CD2 3.8Å; L596-F600 HydrophobicContact CD2-CE2 3.81Å; L596-F600 HydrophobicContact CD2-CG 4.15Å; L596-F600 HydrophobicContact CD2-CZ 4.17Å; L596-F600 HydrophobicContact CG-CD1 4.47Å; L596-F600 HydrophobicContact CG-CD2 4.44Å; L596-F600 HydrophobicContact CG-CG 4.3Å; P597-F600 WeakPolarHBondContact O-CB 3.43Å; P597-F600 PolarHBondContact O-N 3.18Å |
| 601 | F | 84 | Confident | 77 | Confident | 125 Ų | 125 | 133.9 Ų | 133.9 | 55% | 0.548 | 69% | 0.693 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.4 | 10.2 | 178.4 | -65.7 | -73.9 | 0 | 0 | 0 | 114.5 | D599 F604 V605 | D599-F601 PolarHBondContact O-N 3.01Å; F601-F604 WeakPolarHBondContact O-CA 2.91Å; F601-F604 PolarHBondContact O-N 3.24Å; F601-V605 HydrophobicContact CB-CG2 3.26Å; F601-V605 HydrophobicContact CG-CG2 4.14Å |
| 602 | F | 75.9 | Confident | 77.5 | Confident | 171 Ų | 171 | 136.2 Ų | 136.2 | 75% | 0.75 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 132 | 177.8 | -172.3 | -93.5 | 0 | 0 | 0 | 111.3 | D599 | D599-F602 WeakPolarHBondContact O-CB 3.45Å; D599-F602 PolarHBondContact O-N 3.41Å |
| 603 | P | 79.1 | Confident | 78 | Confident | 89 Ų | 89 | 135.2 Ų | 135.2 | 58% | 0.578 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -102.6 | 29.4 | -0.7 | 40.7 | -34.4 | 0 | 0 | 0 | 113.5 | V605 | P603-V605 PolarHBondContact O-N 2.68Š|
| 604 | F | 71.3 | Confident | 78.8 | Confident | 184 Ų | 184 | 133.4 Ų | 133.4 | 81% | 0.807 | 67% | 0.673 | S | S | * | * | trans | -88.9 | 11.6 | -168.6 | -60.1 | -74.2 | 0 | 0 | 0 | 115.2 | F601 | F601-F604 WeakPolarHBondContact O-CA 2.91Å; F601-F604 PolarHBondContact O-N 3.24Å | ||
| 605 | V | 58.6 | Low | 78.9 | Confident | 180 Ų | 180 | 140 Ų | 140 | 100% | 1.091 | 69% | 0.688 | S | S | * | * | trans | -119.1 | 0 | 173.1 | -146.4 | 0 | 0 | 0 | 0 | 111.2 | F601 P603 | F601-V605 HydrophobicContact CB-CG2 3.26Å; F601-V605 HydrophobicContact CG-CG2 4.14Å; P603-V605 PolarHBondContact O-N 2.68Å |
Retrieved 605 of 605 residues in 553.7 ms
(Link to these results)