| 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 | 35.7 | Very low | 33.3 | Very low | 231 Ų | 231 | 151.3 Ų | 151.3 | 100% | 1.138 | 78% | 0.782 | S | S | * | * | 0 | 142 | 0 | -77.7 | 170.1 | 175.4 | 0 | 0 | 108.1 | |||||
| 2 | L | 36.5 | Very low | 33.8 | Very low | 143 Ų | 143 | 144 Ų | 144 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | 51 | 102.1 | 139.3 | -54.7 | 170.5 | 0 | 0 | 0 | 116.9 | ||||
| 3 | L | 33.3 | Very low | 34.4 | Very low | 143 Ų | 143 | 144 Ų | 144 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | 69.3 | 115.2 | 81.8 | -67.8 | 179.5 | 0 | 0 | 0 | 112.3 | |||||
| 4 | F | 34.7 | Very low | 34.6 | Very low | 193 Ų | 193 | 139.7 Ų | 139.7 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | 86.6 | 156.7 | 66.6 | -114 | -83.5 | 0 | 0 | 0 | 113.9 | |||||
| 5 | V | 34.3 | Very low | 35.1 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 67% | 0.667 | 79% | 0.79 | S | S | * | * | trans | 96.9 | 103.1 | 164.4 | -174.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 6 | E | 33.7 | Very low | 35.8 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | 56.8 | 171 | 135.6 | -63.4 | -175.5 | 83.1 | 0 | 0 | 121.5 | ||||
| 7 | Q | 33.1 | Very low | 36.8 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | cis | -143.3 | 131.9 | 1.8 | -128.4 | 147.5 | 49.6 | 0 | 0 | 107.8 | ||||
| 8 | V | 27.5 | Very low | 37 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 66% | 0.655 | 78% | 0.784 | S | S | * | * | 70.9 | 103.2 | 89.1 | 179.6 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 9 | T | 30 | Very low | 37.5 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 85% | 0.847 | 77% | 0.772 | S | S | * | * | trans | 66.2 | 172.2 | 157.9 | 74.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 10 | S | 31.8 | Very low | 37.6 | Very low | 95 Ų | 95 | 137.5 Ų | 137.5 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | cis | -148.1 | -179.6 | 1.7 | 97.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 11 | K | 35.6 | Very low | 37.8 | Very low | 202 Ų | 202 | 137 Ų | 137 | 88% | 0.878 | 77% | 0.771 | S | S | * | * | trans | 4.6 | 138.5 | 156.3 | -55.3 | 170.4 | -178.7 | 175.9 | 0 | 118.7 | ||||
| 12 | G | 38.9 | Very low | 37.6 | Very low | 64 Ų | 64 | 138.1 Ų | 138.1 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | cis | 161.1 | -175.8 | 1.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G14 | G12-G14 PolarHBondContact O-N 3.4Š| ||
| 13 | T | 42.8 | Very low | 37.4 | Very low | 144 Ų | 144 | 139 Ų | 139 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | 13.2 | 91.6 | 162.1 | 51.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 14 | G | 36.3 | Very low | 37.4 | Very low | 84 Ų | 84 | 141.2 Ų | 141.2 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | -109.2 | 61.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G12 | G12-G14 PolarHBondContact O-N 3.4Š| ||
| 15 | L | 43 | Very low | 37.4 | Very low | 162 Ų | 162 | 139.5 Ų | 139.5 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | trans | -82.2 | 124.9 | 175.8 | -77.5 | 175.6 | 0 | 0 | 0 | 111 | ||||
| 16 | N | 44.9 | Very low | 37.3 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 55% | 0.545 | 77% | 0.774 | S | S | . | * | trans | 31.2 | 103 | 165 | -170.7 | 4.9 | 0 | 0 | 0 | 117.3 | N18 A19 | N16-N18 PolarHBondContact O-N 3.37Å; N16-N18 WeakPolarHBondContact OD1-CB 3.45Å; N16-N18 PolarHBondContact OD1-N 3.44Å; N16-A19 HydrophobicContact CB-CB 4.41Å; N16-A19 VanDerWaalsContact O-CB 3.3Å; N16-A19 WeakPolarHBondContact O-CB 3.21Å; N16-A19 PolarHBondContact O-N 2.82Å; N16-A19 VanDerWaalsContact O-N 3.15Å | ||
| 17 | P | 54.1 | Low | 37.7 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 92% | 0.916 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -7.4 | 178.2 | 29.3 | -35.5 | 0 | 0 | 0 | 114.8 | A19 | P17-A19 VanDerWaalsContact C-N 3.26Å; P17-A19 PolarHBondContact O-N 3.01Å |
| 18 | N | 40.3 | Very low | 37.5 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | 18.8 | 173.6 | -138.8 | -9.2 | 0 | 0 | 0 | 112.9 | N16 | N16-N18 PolarHBondContact O-N 3.37Å; N16-N18 WeakPolarHBondContact OD1-CB 3.45Å; N16-N18 PolarHBondContact OD1-N 3.44Å |
| 19 | A | 46.2 | Very low | 37.5 | Very low | 67 Ų | 67 | 136.4 Ų | 136.4 | 55% | 0.554 | 79% | 0.793 | S | S | * | * | trans | -112.7 | 65.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | N16 P17 | N16-A19 HydrophobicContact CB-CB 4.41Å; N16-A19 VanDerWaalsContact O-CB 3.3Å; N16-A19 WeakPolarHBondContact O-CB 3.21Å; N16-A19 PolarHBondContact O-N 2.82Å; N16-A19 VanDerWaalsContact O-N 3.15Å; P17-A19 VanDerWaalsContact C-N 3.26Å; P17-A19 PolarHBondContact O-N 3.01Å | ||
| 20 | K | 39.4 | Very low | 37.4 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -154.9 | 113.4 | 150.8 | -104 | 173 | 179.7 | -167.4 | 0 | 107.3 | ||||
| 21 | V | 42.4 | Very low | 37.4 | Very low | 126 Ų | 126 | 139.6 Ų | 139.6 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | 63.3 | 115.5 | 68.8 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | Q23 | V21-Q23 PolarHBondContact O-N 3.43Š| |||
| 22 | W | 31.9 | Very low | 37 | Very low | 256 Ų | 256 | 134.3 Ų | 134.3 | 97% | 0.97 | 80% | 0.797 | S | S | * | * | trans | -61.2 | 124 | 168.5 | -71.9 | 53.4 | 0 | 0 | 0 | 108.8 | ||||
| 23 | Q | 32.1 | Very low | 36.5 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 76% | 0.757 | 80% | 0.804 | S | S | * | * | trans | -111.3 | 97.4 | 169.1 | -172.6 | 161.2 | 4.9 | 0 | 0 | 108.1 | V21 | V21-Q23 PolarHBondContact O-N 3.43Š| ||
| 24 | E | 32 | Very low | 36.5 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -65.6 | 152.2 | 174.7 | -164.4 | 171.7 | 170 | 0 | 0 | 110.8 | ||||
| 25 | I | 34.6 | Very low | 35.9 | Very low | 156 Ų | 156 | 138 Ų | 138 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -97.2 | 137.4 | -164.2 | -61.2 | 166.7 | 0 | 0 | 0 | 110.5 | ||||
| 26 | A | 33.4 | Very low | 35.1 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -138.3 | 128.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 27 | P | 41.3 | Very low | 34.2 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 81% | 0.805 | 80% | 0.801 | S | S | * | * | trans | -133.7 | 128.6 | 151.2 | 34.9 | -20.2 | 0 | 0 | 0 | 111.9 | ||||
| 28 | G | 28.8 | Very low | 33 | Very low | 84 Ų | 84 | 136.4 Ų | 136.4 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | trans | 168.5 | 70 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 29 | N | 27.3 | Very low | 32.5 | Very low | 148 Ų | 148 | 135.8 Ų | 135.8 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -81.2 | 135 | -175.3 | 178.2 | 67 | 0 | 0 | 0 | 113.9 | ||||
| 30 | T | 29 | Very low | 31.7 | Very low | 140 Ų | 140 | 141.2 Ų | 141.2 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -168.3 | 172.6 | 138.9 | 10.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 31 | D | 30.2 | Very low | 31.3 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -107.4 | 178.3 | -154.7 | -140.4 | -36.4 | 0 | 0 | 0 | 114.7 | ||||
| 32 | A | 28.3 | Very low | 30.4 | Very low | 91 Ų | 91 | 136.2 Ų | 136.2 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | 82.7 | 132.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 33 | T | 27.7 | Very low | 30.2 | Very low | 132 Ų | 132 | 135.5 Ų | 135.5 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -84.2 | 170.7 | 153.9 | 55.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 34 | P | 42.8 | Very low | 30 | Very low | 107 Ų | 107 | 135.2 Ų | 135.2 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | cis | -148.6 | 177.8 | 20.5 | 44.6 | -24.5 | 0 | 0 | 0 | 119 | ||||
| 35 | V | 25.2 | Very low | 29.7 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | 71.7 | 159.9 | 143.9 | 159.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 36 | T | 25.3 | Very low | 29.4 | Very low | 114 Ų | 114 | 133 Ų | 133 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | 84.4 | 109.2 | 163 | 20.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 37 | H | 26.1 | Very low | 29.1 | Very low | 194 Ų | 194 | 133 Ų | 133 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | 53.2 | 142.9 | 127.8 | -82 | -103.9 | 0 | 0 | 0 | 124.3 | |||||
| 38 | G | 27.8 | Very low | 28.5 | Very low | 63 Ų | 63 | 131.2 Ų | 131.2 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | 121.6 | 99.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 39 | T | 30.8 | Very low | 28.5 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | 60.3 | 113.6 | 68.1 | -47.1 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 40 | E | 29.2 | Very low | 28.4 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | -149.1 | 164.5 | 55.8 | 58.9 | -155.8 | 128.6 | 0 | 0 | 118.2 | |||||
| 41 | S | 30.2 | Very low | 28.2 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -25 | 134 | 177.9 | -52.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 42 | S | 24.4 | Very low | 28 | Very low | 83 Ų | 83 | 128.1 Ų | 128.1 | 58% | 0.58 | 78% | 0.783 | S | S | * | * | 78.6 | 114.7 | 52.3 | 178.9 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 43 | W | 27.2 | Very low | 28 | Very low | 242 Ų | 242 | 132 Ų | 132 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | -170.5 | 163.5 | 115.8 | -94.9 | 112.6 | 0 | 0 | 0 | 112.2 | |||||
| 44 | H | 29.1 | Very low | 28.6 | Very low | 155 Ų | 155 | 131 Ų | 131 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | -119.5 | 142.3 | -168.9 | -81.5 | -98.4 | 0 | 0 | 0 | 114.3 | ||||
| 45 | E | 24.1 | Very low | 27.8 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | 35.3 | 146.2 | 123.8 | -146.4 | 179.7 | 162.2 | 0 | 0 | 123.3 | |||||
| 46 | T | 28.6 | Very low | 28 | Very low | 136 Ų | 136 | 132.9 Ų | 132.9 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | 86.4 | 153.2 | 154.5 | 15.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 47 | A | 28.1 | Very low | 28.1 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -113.5 | 165.5 | -159 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 48 | A | 28.6 | Very low | 28.2 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | -178.9 | 128.9 | 141.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 49 | I | 27.9 | Very low | 28.2 | Very low | 158 Ų | 158 | 136 Ų | 136 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | 69.3 | 139.2 | 132.2 | -61.9 | 170.2 | 0 | 0 | 0 | 121.8 | ||||
| 50 | S | 26.7 | Very low | 28.2 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | 70.2 | 148.4 | 166 | -73.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 51 | G | 24.5 | Very low | 28.1 | Very low | 69 Ų | 69 | 134 Ų | 134 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | cis | 167.1 | 168.8 | -8.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 52 | A | 26.2 | Very low | 27.9 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 95% | 0.95 | 77% | 0.774 | S | S | * | * | trans | 70.9 | 150.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 53 | H | 28.3 | Very low | 28.1 | Very low | 174 Ų | 174 | 136.3 Ų | 136.3 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -141.4 | 142.1 | 177.9 | -152.8 | -42.2 | 0 | 0 | 0 | 107.4 | ||||
| 54 | P | 40.4 | Very low | 28.3 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | -130.1 | 151.1 | 126.4 | 35.7 | -27.3 | 0 | 0 | 0 | 109.6 | |||||
| 55 | E | 25.4 | Very low | 28.3 | Very low | 168 Ų | 168 | 130.1 Ų | 130.1 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | cis | 89.6 | 139.4 | 34.5 | -146 | -149.7 | 157.6 | 0 | 0 | 114.6 | ||||
| 56 | V | 29.1 | Very low | 28.7 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 67% | 0.673 | 78% | 0.783 | S | S | * | * | trans | 97 | 129.3 | 162.7 | -170.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 57 | S | 26.5 | Very low | 28.8 | Very low | 105 Ų | 105 | 127.1 Ų | 127.1 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | 64.3 | 129.6 | 167 | 54.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 58 | L | 29.8 | Very low | 28.8 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | cis | 86.3 | 107.9 | 21 | -159.7 | 161.6 | 0 | 0 | 0 | 114.5 | ||||
| 59 | F | 28 | Very low | 28.9 | Very low | 193 Ų | 193 | 132.2 Ų | 132.2 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | 166.2 | 119.6 | 138.9 | -95.6 | -66.4 | 0 | 0 | 0 | 113.3 | ||||
| 60 | N | 29.2 | Very low | 29.1 | Very low | 144 Ų | 144 | 130.7 Ų | 130.7 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -3.2 | 147 | 144.2 | -100.8 | 31.6 | 0 | 0 | 0 | 122.7 | ||||
| 61 | T | 28.2 | Very low | 29.3 | Very low | 134 Ų | 134 | 129.1 Ų | 129.1 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | 73.5 | 129 | 136 | -53.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 62 | G | 26.1 | Very low | 29.7 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | 162.6 | 129.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 63 | N | 28.3 | Very low | 29.7 | Very low | 172 Ų | 172 | 135.6 Ų | 135.6 | 92% | 0.92 | 75% | 0.749 | S | S | * | * | trans | -93 | 153.5 | 174.6 | -58.2 | -11.1 | 0 | 0 | 0 | 111.9 | ||||
| 64 | A | 31.1 | Very low | 29.4 | Very low | 82 Ų | 82 | 135.5 Ų | 135.5 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | trans | 179.2 | 115.3 | 138.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 65 | E | 30.3 | Very low | 28.7 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | 75.1 | 141.9 | 99.3 | -67.9 | -178.6 | 179.6 | 0 | 0 | 114.5 | |||||
| 66 | L | 30.9 | Very low | 28.9 | Very low | 132 Ų | 132 | 135 Ų | 135 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | cis | -150.5 | -171.4 | 8.3 | -152.9 | 81.6 | 0 | 0 | 0 | 111.2 | ||||
| 67 | S | 31.1 | Very low | 28.9 | Very low | 102 Ų | 102 | 138.4 Ų | 138.4 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | 80.4 | 112.7 | -177.8 | -147.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 68 | E | 28.6 | Very low | 29 | Very low | 149 Ų | 149 | 143.3 Ų | 143.3 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | cis | 66.3 | 128 | 43 | -50 | 168.4 | -155.4 | 0 | 0 | 111.3 | ||||
| 69 | D | 30.2 | Very low | 29.1 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | cis | -158.9 | 152.6 | -5.5 | -145.6 | -3.6 | 0 | 0 | 0 | 106.1 | ||||
| 70 | T | 31.9 | Very low | 29 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | -163.7 | 169.1 | 54.1 | 46.5 | 0 | 0 | 0 | 0 | 114 | |||||
| 71 | C | 31.7 | Very low | 28.8 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | trans | -78.2 | 172.4 | 173.5 | -73.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 72 | K | 32.2 | Very low | 28.7 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | cis | -162.9 | 169.4 | -10.2 | -105.1 | 160.3 | -170.1 | 148.9 | 0 | 107.4 | ||||
| 73 | E | 25.8 | Very low | 28.5 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 65% | 0.654 | 76% | 0.756 | S | S | * | * | 152.8 | 107.6 | 102.6 | 176.6 | 143.1 | -139.7 | 0 | 0 | 106 | |||||
| 74 | Y | 22.3 | Very low | 28.4 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | 44 | 144.4 | 92.2 | 94.2 | -108.2 | 0 | 0 | 0 | 115.5 | |||||
| 75 | E | 25.6 | Very low | 28 | Very low | 153 Ų | 153 | 138.1 Ų | 138.1 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | cis | -134.8 | 152.6 | 7.4 | -110.9 | 175.9 | 118 | 0 | 0 | 110.3 | ||||
| 76 | V | 31.1 | Very low | 27.9 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | 43.9 | 114 | 93.4 | -172.6 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 77 | M | 27.5 | Very low | 27.7 | Very low | 183 Ų | 183 | 139.9 Ų | 139.9 | 90% | 0.901 | 74% | 0.738 | S | S | * | * | trans | -175 | 173.6 | 132.3 | -105.5 | -63.3 | 178.1 | 0 | 0 | 114 | ||||
| 78 | Y | 30.1 | Very low | 27.4 | Very low | 207 Ų | 207 | 140.6 Ų | 140.6 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | trans | -95.5 | 155.8 | -166.5 | -137.5 | -118.5 | 0 | 0 | 0 | 114.2 | ||||
| 79 | S | 30.4 | Very low | 27.4 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | 12.3 | 138.3 | 158.3 | -54.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 80 | S | 26.4 | Very low | 27.1 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | -176.7 | 168.1 | 97.9 | -151.2 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 81 | S | 25.4 | Very low | 27 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | -53 | 144.3 | -170.6 | -47.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 82 | C | 25.1 | Very low | 26.8 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | -171.8 | 125 | 120.7 | 58 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 83 | E | 23.4 | Very low | 26.9 | Very low | 178 Ų | 178 | 140.4 Ų | 140.4 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | 79 | 145.4 | 56.4 | -163.9 | 175.4 | -141.5 | 0 | 0 | 114.5 | |||||
| 84 | T | 24.5 | Very low | 27.1 | Very low | 107 Ų | 107 | 139 Ų | 139 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | trans | 77.8 | 130.9 | 166.5 | -73.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 85 | T | 24.2 | Very low | 27.4 | Very low | 93 Ų | 93 | 135.7 Ų | 135.7 | 57% | 0.571 | 75% | 0.751 | S | S | * | * | cis | -171 | 175.9 | -19.6 | 36.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 86 | R | 28.2 | Very low | 27.7 | Very low | 215 Ų | 215 | 136 Ų | 136 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | 76.5 | 153.9 | 158.1 | -39.4 | 177.8 | -150.9 | 173.2 | 9 | 114.7 | ||||
| 87 | N | 26.7 | Very low | 27.6 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | cis | -167.3 | 150.3 | -14.1 | 45.2 | -51.6 | 0 | 0 | 0 | 113.2 | ||||
| 88 | T | 24.7 | Very low | 27.8 | Very low | 117 Ų | 117 | 133 Ų | 133 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | trans | 51 | 102.7 | 136.4 | -52.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 89 | T | 27.3 | Very low | 27.8 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | 58.4 | 127 | 123.2 | -44.2 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 90 | G | 24 | Very low | 28 | Very low | 66 Ų | 66 | 133 Ų | 133 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 117.3 | 159.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 91 | I | 29.8 | Very low | 28.2 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | cis | -165.4 | 165.9 | -12.6 | -135.6 | 169.6 | 0 | 0 | 0 | 109.4 | ||||
| 92 | E | 29.2 | Very low | 29.1 | Very low | 159 Ų | 159 | 130.9 Ų | 130.9 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 26 | 119.3 | 167.6 | 76.2 | -141.9 | 158.7 | 0 | 0 | 121.7 | ||||
| 93 | E | 33.3 | Very low | 29.8 | Very low | 181 Ų | 181 | 134 Ų | 134 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | 89.2 | 122.5 | 83.8 | -167.9 | 179.1 | 141 | 0 | 0 | 114.9 | |||||
| 94 | S | 29.4 | Very low | 30.3 | Very low | 112 Ų | 112 | 133 Ų | 133 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | -162 | 94.5 | 164 | -177.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 95 | T | 29.4 | Very low | 31.3 | Very low | 100 Ų | 100 | 134.6 Ų | 134.6 | 61% | 0.613 | 76% | 0.757 | S | S | * | * | trans | 26.2 | 131.6 | 131.8 | -48.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 96 | D | 30.9 | Very low | 31.5 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | trans | 53.3 | 135.2 | 158.8 | -62.1 | -22.2 | 0 | 0 | 0 | 120.7 | ||||
| 97 | G | 30.1 | Very low | 31.8 | Very low | 65 Ų | 65 | 135 Ų | 135 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | cis | 141.9 | 134.7 | -7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 98 | M | 30.5 | Very low | 32.2 | Very low | 170 Ų | 170 | 134.8 Ų | 134.8 | 84% | 0.837 | 76% | 0.759 | S | S | * | * | trans | -176.2 | 132.4 | 157.3 | -103.2 | -41.5 | -168.3 | 0 | 0 | 115 | ||||
| 99 | I | 31 | Very low | 32.8 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 68% | 0.677 | 76% | 0.763 | S | S | * | * | trans | 71.4 | 119.9 | 136.4 | -81.7 | 167.5 | 0 | 0 | 0 | 123.4 | ||||
| 100 | L | 35.6 | Very low | 33.4 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | trans | 74 | 148.4 | 151.4 | -72.2 | 170.9 | 0 | 0 | 0 | 122 | ||||
| 101 | G | 29.9 | Very low | 34 | Very low | 66 Ų | 66 | 143.3 Ų | 143.3 | 68% | 0.68 | 76% | 0.764 | S | S | * | * | trans | -126.4 | -133.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 102 | P | 43.8 | Very low | 34.4 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | -108 | 157.1 | -110.5 | 37.5 | -36.1 | 0 | 0 | 0 | 116.8 | |||||
| 103 | E | 39.4 | Very low | 34.9 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | 57.5 | 106.5 | 150.4 | -69.2 | 174 | -147.7 | 0 | 0 | 119.6 | ||||
| 104 | D | 33.8 | Very low | 35.5 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 83% | 0.834 | 75% | 0.751 | S | S | * | * | trans | -137.4 | 155.9 | 135.8 | -157.4 | -6.1 | 0 | 0 | 0 | 109.6 | S106 | D104-S106 PolarHBondContact O-N 3.46Å; D104-S106 VanDerWaalsContact O-N 3.12Å | ||
| 105 | L | 46.2 | Very low | 36 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 74% | 0.738 | 75% | 0.754 | S | S | * | * | trans | -82.5 | 91.5 | -164.4 | -95.8 | 67.1 | 0 | 0 | 0 | 113.5 | ||||
| 106 | S | 29.5 | Very low | 36.3 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | trans | -115.3 | 112.3 | 155 | 55.7 | 0 | 0 | 0 | 0 | 110.6 | D104 Q108 | D104-S106 PolarHBondContact O-N 3.46Å; D104-S106 VanDerWaalsContact O-N 3.12Å; S106-Q108 PolarHBondContact O-N 3.36Å | ||
| 107 | Y | 33.2 | Very low | 36.9 | Very low | 224 Ų | 224 | 138.6 Ų | 138.6 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -77.6 | 109 | 170.1 | -87.1 | -81.6 | 0 | 0 | 0 | 109 | I109 | Y107-I109 PolarHBondContact O-N 3.48Š| ||
| 108 | Q | 34.5 | Very low | 37.6 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | trans | -46.6 | 128.1 | -164.4 | -64.6 | -73.7 | 26.3 | 0 | 0 | 114.4 | S106 Y110 | S106-Q108 PolarHBondContact O-N 3.36Å; Q108-Y110 HydrophobicContact CB-CD2 4.19Å; Q108-Y110 HydrophobicContact CB-CE2 3.98Å; Q108-Y110 PolarHBondContact O-N 3.11Å | ||
| 109 | I | 37.8 | Very low | 38.6 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | trans | -72.5 | 111.9 | 152.1 | -63.1 | 170.8 | 0 | 0 | 0 | 105.4 | Y107 D111 | Y107-I109 PolarHBondContact O-N 3.48Å; I109-D111 VanDerWaalsContact C-N 3.26Å; I109-D111 PolarHBondContact O-N 3.5Å | ||
| 110 | Y | 39.9 | Very low | 40.1 | Very low | 195 Ų | 195 | 136.2 Ų | 136.2 | 77% | 0.765 | 76% | 0.764 | S | S | * | * | trans | -76.3 | 80.8 | 175.5 | -79.4 | -85.9 | 0 | 0 | 0 | 110.3 | Q108 V112 | Q108-Y110 HydrophobicContact CB-CD2 4.19Å; Q108-Y110 HydrophobicContact CB-CE2 3.98Å; Q108-Y110 PolarHBondContact O-N 3.11Å; Y110-V112 VanDerWaalsContact C-N 3.33Å; Y110-V112 PolarHBondContact O-N 2.96Å; Y110-V112 VanDerWaalsContact O-N 3.1Å | ||
| 111 | D | 36.6 | Very low | 42.3 | Very low | 150 Ų | 150 | 129.9 Ų | 129.9 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | trans | -78.2 | 84.6 | 169.9 | -150.3 | -10.7 | 0 | 0 | 0 | 108.9 | I109 S113 | I109-D111 VanDerWaalsContact C-N 3.26Å; I109-D111 PolarHBondContact O-N 3.5Å; D111-S113 VanDerWaalsContact C-N 3.33Å; D111-S113 PolarHBondContact O-N 2.94Å | ||
| 112 | V | 37.7 | Very low | 44.8 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | trans | -78.5 | 87.3 | 177.2 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | Y110 | Y110-V112 VanDerWaalsContact C-N 3.33Å; Y110-V112 PolarHBondContact O-N 2.96Å; Y110-V112 VanDerWaalsContact O-N 3.1Å | ||
| 113 | S | 41.1 | Very low | 46.8 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | trans | -59.4 | 163.3 | 156 | -167.7 | 0 | 0 | 0 | 0 | 110.6 | D111 | D111-S113 VanDerWaalsContact C-N 3.33Å; D111-S113 PolarHBondContact O-N 2.94Å | ||
| 114 | G | 45.1 | Very low | 49.2 | Very low | 50 Ų | 50 | 127.3 Ų | 127.3 | 52% | 0.515 | 70% | 0.704 | S | S | . | * | S | Bend | trans | -66.5 | -175.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 115 | E | 40.5 | Very low | 51.9 | Low | 180 Ų | 180 | 121.8 Ų | 121.8 | 84% | 0.841 | 67% | 0.674 | S | S | * | * | trans | 64.2 | 69.1 | 170.2 | -75.9 | 57.4 | -122.5 | 0 | 0 | 116.8 | ||||
| 116 | S | 34.5 | Very low | 54.1 | Low | 114 Ų | 114 | 118 Ų | 118 | 80% | 0.797 | 65% | 0.652 | S | S | * | * | 176.6 | 128.5 | 107.5 | 43.7 | 0 | 0 | 0 | 0 | 114.3 | S118 | S116-S118 VanDerWaalsContact C-N 3.3Å; S116-S118 PolarHBondContact O-N 2.98Å | |||
| 117 | N | 44.9 | Very low | 57 | Low | 176 Ų | 176 | 118.7 Ų | 118.7 | 94% | 0.941 | 65% | 0.645 | S | S | * | * | trans | -79.2 | 75.8 | 169.3 | -69.4 | -55.3 | 0 | 0 | 0 | 110.5 | ||||
| 118 | S | 43.3 | Very low | 59.9 | Low | 103 Ų | 103 | 110.7 Ų | 110.7 | 72% | 0.72 | 62% | 0.621 | S | S | * | * | trans | -68.5 | 135.5 | 158.2 | -166.6 | 0 | 0 | 0 | 0 | 108.5 | S116 I120 | S116-S118 VanDerWaalsContact C-N 3.3Å; S116-S118 PolarHBondContact O-N 2.98Å; S118-I120 PolarHBondContact O-N 3.3Å | ||
| 119 | A | 53.1 | Low | 62.7 | Low | 97 Ų | 97 | 104.3 Ų | 104.3 | 80% | 0.802 | 59% | 0.591 | S | S | * | * | trans | -71.9 | 88.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S121 | A119-S121 PolarHBondContact O-N 2.9Š| ||
| 120 | I | 62.1 | Low | 65.3 | Low | 117 Ų | 117 | 100 Ų | 100 | 60% | 0.6 | 57% | 0.567 | S | S | * | * | trans | -48.7 | 126.3 | 161.3 | 51.7 | 108.8 | 0 | 0 | 0 | 109 | S118 L125 | S118-I120 PolarHBondContact O-N 3.3Å; I120-L125 HydrophobicContact CD1-CB 3.75Å; I120-L125 HydrophobicContact CD1-CD1 3.82Å; I120-L125 HydrophobicContact CD1-CG 3.86Å | ||
| 121 | S | 81.2 | Confident | 67.7 | Low | 42 Ų | 42 | 96.4 Ų | 96.4 | 29% | 0.294 | 56% | 0.555 | S | S | . | * | trans | -67.3 | 157.6 | -179.6 | 70.1 | 0 | 0 | 0 | 0 | 110.4 | A119 E123 D124 L125 | A119-S121 PolarHBondContact O-N 2.9Å; S121-E123 PolarHBondContact O-N 2.88Å; S121-E123 VanDerWaalsContact O-N 3.14Å; S121-D124 WeakPolarHBondContact CB-OD2 3.28Å; S121-D124 PolarHBondContact N-OD2 3.41Å; S121-D124 VanDerWaalsContact N-OD2 3.16Å; S121-D124 PolarHBondContact O-N 3.17Å; S121-D124 VanDerWaalsContact O-N 3.13Å; S121-D124 PolarHBondContact OG-N 2.97Å; S121-D124 PolarHBondContact OG-OD2 3.07Å; S121-L125 PolarHBondContact O-N 2.9Å | ||
| 122 | T | 82.1 | Confident | 70.4 | Confident | 97 Ų | 97 | 91.2 Ų | 91.2 | 60% | 0.595 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -56.3 | -27.5 | 172.6 | 28.4 | 0 | 0 | 0 | 0 | 112.2 | K126 | T122-K126 WeakPolarHBondContact O-CB 3.48Å; T122-K126 VanDerWaalsContact O-CG 3.28Å; T122-K126 WeakPolarHBondContact O-CG 3.48Å; T122-K126 PolarHBondContact O-N 3.46Å; T122-K126 VanDerWaalsContact O-N 3.17Å |
| 123 | E | 85.9 | Confident | 73 | Confident | 119 Ų | 119 | 85.2 Ų | 85.2 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -76.9 | -44.9 | 177.6 | -66.6 | 56.2 | -130.6 | 0 | 0 | 111.2 | S121 K126 E127 | S121-E123 PolarHBondContact O-N 2.88Å; S121-E123 VanDerWaalsContact O-N 3.14Å; E123-K126 PolarHBondContact O-N 2.73Å; E123-E127 PolarHBondContact O-N 3.13Å |
| 124 | D | 90.3 | Very high | 75.4 | Confident | 97 Ų | 97 | 82 Ų | 82 | 52% | 0.519 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 175.2 | -64 | -53.1 | 0 | 0 | 0 | 111.6 | S121 E127 C128 | S121-D124 WeakPolarHBondContact CB-OD2 3.28Å; S121-D124 PolarHBondContact N-OD2 3.41Å; S121-D124 VanDerWaalsContact N-OD2 3.16Å; S121-D124 PolarHBondContact O-N 3.17Å; S121-D124 VanDerWaalsContact O-N 3.13Å; S121-D124 PolarHBondContact OG-N 2.97Å; S121-D124 PolarHBondContact OG-OD2 3.07Å; D124-E127 PolarHBondContact O-N 3.49Å; D124-C128 VanDerWaalsContact O-CB 3.29Å; D124-C128 WeakPolarHBondContact O-CB 3.46Å; D124-C128 PolarHBondContact O-N 2.76Å |
| 125 | L | 90.9 | Very high | 77.5 | Confident | 40 Ų | 40 | 84.1 Ų | 84.1 | 21% | 0.209 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 174 | -159.7 | 177.1 | 0 | 0 | 0 | 109.9 | I120 S121 E127 C128 L129 L178 | I120-L125 HydrophobicContact CD1-CB 3.75Å; I120-L125 HydrophobicContact CD1-CD1 3.82Å; I120-L125 HydrophobicContact CD1-CG 3.86Å; S121-L125 PolarHBondContact O-N 2.9Å; L125-E127 VanDerWaalsContact C-N 3.34Å; L125-E127 PolarHBondContact O-N 2.84Å; L125-C128 PolarHBondContact O-N 3.47Å; L125-L129 HydrophobicContact CD2-CB 4.43Å; L125-L129 VanDerWaalsContact O-CB 3.28Å; L125-L129 WeakPolarHBondContact O-CB 3.38Å; L125-L129 PolarHBondContact O-N 3.44Å; L125-L178 HydrophobicContact CD2-CD2 4.19Å |
| 126 | K | 91.4 | Very high | 79.8 | Confident | 62 Ų | 62 | 75.6 Ų | 75.6 | 27% | 0.27 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.8 | -40 | 176.8 | -80.6 | 177.5 | 173.6 | -167 | 0 | 112.5 | T122 E123 K130 L178 E181 V182 | T122-K126 WeakPolarHBondContact O-CB 3.48Å; T122-K126 VanDerWaalsContact O-CG 3.28Å; T122-K126 WeakPolarHBondContact O-CG 3.48Å; T122-K126 PolarHBondContact O-N 3.46Å; T122-K126 VanDerWaalsContact O-N 3.17Å; E123-K126 PolarHBondContact O-N 2.73Å; K126-K130 VanDerWaalsContact O-CB 3.22Å; K126-K130 WeakPolarHBondContact O-CB 3.49Å; K126-K130 PolarHBondContact O-N 3.36Å; K126-L178 HydrophobicContact CD-CD1 4.24Å; K126-L178 HydrophobicContact CG-CD1 3.87Å; K126-E181 WeakPolarHBondContact CE-OE2 3.24Å; K126-E181 IonicContact NZ-OE1 2.61Å; K126-E181 PolarHBondContact NZ-OE1 2.88Å; K126-E181 IonicContact NZ-OE2 2.69Å; K126-E181 PolarHBondContact NZ-OE2 3.33Å; K126-V182 HydrophobicContact CB-CG2 4.3Å; K126-V182 HydrophobicContact CG-CG2 4.1Å |
| 127 | E | 91.7 | Very high | 82.4 | Confident | 107 Ų | 107 | 70.7 Ų | 70.7 | 50% | 0.5 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.1 | -38.2 | 177 | -166.2 | 176.5 | 128.6 | 0 | 0 | 112.5 | E123 D124 L125 K130 K131 | E123-E127 PolarHBondContact O-N 3.13Å; D124-E127 PolarHBondContact O-N 3.49Å; L125-E127 VanDerWaalsContact C-N 3.34Å; L125-E127 PolarHBondContact O-N 2.84Å; E127-K130 WeakPolarHBondContact O-CB 3.43Å; E127-K130 PolarHBondContact O-N 2.87Å; E127-K131 HydrophobicContact CG-CD 4.34Å; E127-K131 WeakPolarHBondContact O-CB 3.49Å; E127-K131 WeakPolarHBondContact O-CG 3.1Å; E127-K131 PolarHBondContact O-N 3.45Å; E127-K131 WeakPolarHBondContact OE1-CE 3.4Å; E127-K131 IonicContact OE1-NZ 2.64Å; E127-K131 PolarHBondContact OE1-NZ 3.39Å |
| 128 | C | 92.5 | Very high | 84.3 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 37% | 0.372 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.4 | -49 | 174.8 | -168.1 | 0 | 0 | 0 | 0 | 111.2 | D124 L125 K130 K131 Q132 L172 | D124-C128 VanDerWaalsContact O-CB 3.29Å; D124-C128 WeakPolarHBondContact O-CB 3.46Å; D124-C128 PolarHBondContact O-N 2.76Å; L125-C128 PolarHBondContact O-N 3.47Å; C128-K130 VanDerWaalsContact C-N 3.3Å; C128-K130 PolarHBondContact O-N 3.08Å; C128-K131 PolarHBondContact O-N 3.33Å; C128-Q132 PolarHBondContact O-N 3.46Å; C128-L172 HydrophobicContact CB-CD1 4.42Å; C128-L172 HydrophobicContact CB-CD2 4.41Å |
| 129 | L | 93.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.6 | -42.2 | 174.6 | 178.6 | 58.7 | 0 | 0 | 0 | 111.4 | L125 Q132 L133 I169 L172 T173 L178 I179 V182 | L125-L129 HydrophobicContact CD2-CB 4.43Å; L125-L129 VanDerWaalsContact O-CB 3.28Å; L125-L129 WeakPolarHBondContact O-CB 3.38Å; L125-L129 PolarHBondContact O-N 3.44Å; L129-Q132 PolarHBondContact O-N 2.99Å; L129-L133 HydrophobicContact CD1-CD1 3.9Å; L129-L133 HydrophobicContact CD1-CG 4.2Å; L129-L133 HydrophobicContact CG-CD1 3.83Å; L129-L133 WeakPolarHBondContact O-CB 3.47Å; L129-L133 WeakPolarHBondContact O-CD1 3.46Å; L129-L133 WeakPolarHBondContact O-CG 3.4Å; L129-L133 PolarHBondContact O-N 3.26Å; L129-I169 HydrophobicContact CD1-CG2 3.97Å; L129-L172 HydrophobicContact CB-CD1 4.43Å; L129-T173 HydrophobicContact CD1-CG2 4.11Å; L129-T173 HydrophobicContact CD2-CG2 3.62Å; L129-L178 HydrophobicContact CD2-CD2 4.25Å; L129-L178 HydrophobicContact CD2-CG 3.97Å; L129-I179 HydrophobicContact CD1-CG1 4.39Å; L129-I179 HydrophobicContact CD2-CG1 4.22Å; L129-V182 HydrophobicContact CD2-CB 4.41Å; L129-V182 HydrophobicContact CD2-CG2 4.09Å; L129-V182 HydrophobicContact CG-CG1 4.38Å |
| 130 | K | 92.4 | Very high | 87.5 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 29% | 0.291 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 174.7 | -176.7 | -176.8 | 165.8 | -172.6 | 0 | 111.8 | K126 E127 C128 Q132 L133 E134 V182 | K126-K130 VanDerWaalsContact O-CB 3.22Å; K126-K130 WeakPolarHBondContact O-CB 3.49Å; K126-K130 PolarHBondContact O-N 3.36Å; E127-K130 WeakPolarHBondContact O-CB 3.43Å; E127-K130 PolarHBondContact O-N 2.87Å; C128-K130 VanDerWaalsContact C-N 3.3Å; C128-K130 PolarHBondContact O-N 3.08Å; K130-Q132 VanDerWaalsContact C-N 3.29Å; K130-Q132 PolarHBondContact O-N 2.87Å; K130-L133 PolarHBondContact O-N 2.92Å; K130-E134 VanDerWaalsContact CE-CD 3.45Å; K130-E134 WeakPolarHBondContact CE-OE1 3.25Å; K130-E134 WeakPolarHBondContact CE-OE2 3.27Å; K130-E134 HydrophobicContact CG-CG 4.29Å; K130-E134 IonicContact NZ-OE1 2.73Å; K130-E134 WeakPolarHBondContact O-CB 3.49Å; K130-E134 WeakPolarHBondContact O-CG 3.48Å; K130-E134 PolarHBondContact O-N 2.85Å; K130-V182 VanDerWaalsContact CA-CG1 3.46Å; K130-V182 HydrophobicContact CB-CG1 3.56Å; K130-V182 HydrophobicContact CG-CG1 4.13Å |
| 131 | K | 91.6 | Very high | 88.7 | Confident | 118 Ų | 118 | 61.5 Ų | 61.5 | 51% | 0.513 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.9 | -42.4 | 177.8 | -77.1 | 164 | 177.6 | 161.6 | 0 | 111.2 | E127 C128 E134 F135 | E127-K131 HydrophobicContact CG-CD 4.34Å; E127-K131 WeakPolarHBondContact O-CB 3.49Å; E127-K131 WeakPolarHBondContact O-CG 3.1Å; E127-K131 PolarHBondContact O-N 3.45Å; E127-K131 WeakPolarHBondContact OE1-CE 3.4Å; E127-K131 IonicContact OE1-NZ 2.64Å; E127-K131 PolarHBondContact OE1-NZ 3.39Å; C128-K131 PolarHBondContact O-N 3.33Å; K131-E134 PolarHBondContact O-N 2.77Å; K131-F135 WeakPolarHBondContact O-CB 3.18Å; K131-F135 PolarHBondContact O-N 3.5Å |
| 132 | Q | 92.6 | Very high | 89 | Confident | 41 Ų | 41 | 59.6 Ų | 59.6 | 19% | 0.192 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 178.3 | -157.7 | 61.4 | 27.1 | 0 | 0 | 111.8 | C128 L129 K130 E134 F135 C136 E168 I169 L172 | C128-Q132 PolarHBondContact O-N 3.46Å; L129-Q132 PolarHBondContact O-N 2.99Å; K130-Q132 VanDerWaalsContact C-N 3.29Å; K130-Q132 PolarHBondContact O-N 2.87Å; Q132-E134 PolarHBondContact O-N 2.88Å; Q132-F135 CarbonylContact O-C 3.55Å; Q132-F135 WeakPolarHBondContact O-CB 3.09Å; Q132-F135 PolarHBondContact O-N 2.79Å; Q132-C136 PolarHBondContact O-N 3.33Å; Q132-C136 PolarHBondContact O-SG 2.9Å; Q132-E168 HydrophobicContact CG-CB 3.85Å; Q132-E168 PolarHBondContact NE2-OE1 3.1Å; Q132-E168 PolarHBondContact NE2-OE2 3.07Å; Q132-I169 HydrophobicContact CG-CG1 4.11Å; Q132-L172 HydrophobicContact CB-CD1 4.19Å |
| 133 | L | 92.6 | Very high | 89 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 176.1 | -67.4 | 162 | 0 | 0 | 0 | 111.8 | L129 K130 F135 C136 F137 V163 I169 I179 V182 L183 | L129-L133 HydrophobicContact CD1-CD1 3.9Å; L129-L133 HydrophobicContact CD1-CG 4.2Å; L129-L133 HydrophobicContact CG-CD1 3.83Å; L129-L133 WeakPolarHBondContact O-CB 3.47Å; L129-L133 WeakPolarHBondContact O-CD1 3.46Å; L129-L133 WeakPolarHBondContact O-CG 3.4Å; L129-L133 PolarHBondContact O-N 3.26Å; K130-L133 PolarHBondContact O-N 2.92Å; L133-F135 VanDerWaalsContact C-N 3.28Å; L133-F135 PolarHBondContact O-N 3.07Å; L133-C136 PolarHBondContact O-N 2.68Å; L133-F137 VanDerWaalsContact O-CD2 3.26Å; L133-F137 WeakPolarHBondContact O-CD2 3.26Å; L133-F137 PolarHBondContact O-N 3.19Å; L133-V163 HydrophobicContact CD2-CG1 3.45Å; L133-V163 VanDerWaalsContact CD2-CG1 3.45Å; L133-I169 HydrophobicContact CD2-CD1 3.56Å; L133-I169 HydrophobicContact CD2-CG1 4.39Å; L133-I169 HydrophobicContact CG-CD1 4.32Å; L133-I179 HydrophobicContact CD1-CG2 4.38Å; L133-I179 HydrophobicContact CD2-CG2 4.28Å; L133-V182 HydrophobicContact CD1-CB 4.26Å; L133-V182 HydrophobicContact CD1-CG1 3.75Å; L133-L183 HydrophobicContact CB-CD2 4.05Å; L133-L183 HydrophobicContact CD1-CD2 3.98Å; L133-L183 HydrophobicContact CD1-CG 4.04Å; L133-L183 HydrophobicContact CD2-CD2 3.94Å; L133-L183 HydrophobicContact CD2-CG 4.35Å; L133-L183 HydrophobicContact CG-CD2 4.22Å |
| 134 | E | 90.7 | Very high | 89.1 | Confident | 37 Ų | 37 | 59.9 Ų | 59.9 | 17% | 0.173 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.7 | -31.5 | 175.3 | -71.2 | -178.8 | 162.2 | 0 | 0 | 112 | K130 K131 Q132 S138 S186 M188 | K130-E134 VanDerWaalsContact CE-CD 3.45Å; K130-E134 WeakPolarHBondContact CE-OE1 3.25Å; K130-E134 WeakPolarHBondContact CE-OE2 3.27Å; K130-E134 HydrophobicContact CG-CG 4.29Å; K130-E134 IonicContact NZ-OE1 2.73Å; K130-E134 WeakPolarHBondContact O-CB 3.49Å; K130-E134 WeakPolarHBondContact O-CG 3.48Å; K130-E134 PolarHBondContact O-N 2.85Å; K131-E134 PolarHBondContact O-N 2.77Å; Q132-E134 PolarHBondContact O-N 2.88Å; E134-S138 WeakPolarHBondContact O-CA 3.37Å; E134-S138 WeakPolarHBondContact O-CB 3.11Å; E134-S138 PolarHBondContact O-N 2.92Å; E134-S186 WeakPolarHBondContact CG-OG 3.37Å; E134-S186 VanDerWaalsContact OE1-CB 3.26Å; E134-S186 WeakPolarHBondContact OE1-CB 3.5Å; E134-S186 PolarHBondContact OE1-OG 2.92Å; E134-M188 HydrophobicContact CB-SD 4.38Å; E134-M188 HydrophobicContact CG-CB 4.25Å; E134-M188 HydrophobicContact CG-SD 4.37Å |
| 135 | F | 90.1 | Very high | 89.1 | Confident | 96 Ų | 96 | 56.7 Ų | 56.7 | 42% | 0.421 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71 | -46.9 | 170.7 | 179 | -101.2 | 0 | 0 | 0 | 112.6 | K131 Q132 L133 F137 S138 N141 | K131-F135 WeakPolarHBondContact O-CB 3.18Å; K131-F135 PolarHBondContact O-N 3.5Å; Q132-F135 CarbonylContact O-C 3.55Å; Q132-F135 WeakPolarHBondContact O-CB 3.09Å; Q132-F135 PolarHBondContact O-N 2.79Å; L133-F135 VanDerWaalsContact C-N 3.28Å; L133-F135 PolarHBondContact O-N 3.07Å; F135-F137 VanDerWaalsContact C-N 3.26Å; F135-F137 PolarHBondContact O-N 3.1Å; F135-S138 WeakPolarHBondContact O-CB 3.47Å; F135-S138 PolarHBondContact O-N 3Å; F135-S138 PolarHBondContact O-OG 3.35Å; F135-N141 HydrophobicContact CE1-CB 4.3Å; F135-N141 HydrophobicContact CZ-CB 4.24Å; F135-N141 WeakPolarHBondContact O-CB 3.48Å |
| 136 | C | 88.6 | Confident | 89.1 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55.7 | -43.1 | 177.3 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | Q132 L133 N141 L142 L148 M166 | Q132-C136 PolarHBondContact O-N 3.33Å; Q132-C136 PolarHBondContact O-SG 2.9Å; L133-C136 PolarHBondContact O-N 2.68Å; C136-N141 PolarHBondContact O-ND2 3.14Å; C136-L142 WeakPolarHBondContact O-CD2 3.36Å; C136-L142 WeakPolarHBondContact O-CG 3.3Å; C136-L148 HydrophobicContact CB-CD1 4.15Å; C136-L148 WeakPolarHBondContact O-CD1 3.38Å; C136-M166 HydrophobicContact CB-CE 4.34Å; C136-M166 HydrophobicContact CB-SD 4.38Å; C136-M166 VanDerWaalsContact SG-CE 3.56Å |
| 137 | F | 88.4 | Confident | 89.2 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 5% | 0.048 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 5.8 | 176.2 | -67.1 | -70.1 | 0 | 0 | 0 | 114.8 | L133 F135 L142 I158 V163 L183 V189 V198 P200 | L133-F137 VanDerWaalsContact O-CD2 3.26Å; L133-F137 WeakPolarHBondContact O-CD2 3.26Å; L133-F137 PolarHBondContact O-N 3.19Å; F135-F137 VanDerWaalsContact C-N 3.26Å; F135-F137 PolarHBondContact O-N 3.1Å; F137-L142 HydrophobicContact CD1-CD1 4.32Å; F137-L142 WeakPolarHBondContact O-CD1 3.44Å; F137-I158 HydrophobicContact CE1-CB 4.44Å; F137-I158 HydrophobicContact CE1-CD1 3.86Å; F137-I158 HydrophobicContact CE1-CG1 4.28Å; F137-V163 HydrophobicContact CE2-CG1 4.22Å; F137-V163 HydrophobicContact CE2-CG2 4.15Å; F137-V163 HydrophobicContact CZ-CG2 3.68Å; F137-L183 HydrophobicContact CE2-CD2 4.39Å; F137-V189 HydrophobicContact CB-CG1 3.8Å; F137-V189 HydrophobicContact CD2-CG1 3.57Å; F137-V189 HydrophobicContact CE2-CG1 4.38Å; F137-V189 HydrophobicContact CG-CG1 3.73Å; F137-V198 HydrophobicContact CE1-CG1 4.21Å; F137-V198 HydrophobicContact CE2-CG1 3.88Å; F137-V198 HydrophobicContact CE2-CG2 4.2Å; F137-V198 HydrophobicContact CZ-CB 4.42Å; F137-V198 HydrophobicContact CZ-CG1 3.39Å; F137-V198 HydrophobicContact CZ-CG2 4.21Å; F137-P200 HydrophobicContact CD1-CG 4Å |
| 138 | S | 84.9 | Confident | 89.2 | Confident | 9 Ų | 9 | 58.3 Ų | 58.3 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -63.8 | 154.8 | 176.7 | 72 | 0 | 0 | 0 | 0 | 111.5 | E134 F135 E140 N141 L142 | E134-S138 WeakPolarHBondContact O-CA 3.37Å; E134-S138 WeakPolarHBondContact O-CB 3.11Å; E134-S138 PolarHBondContact O-N 2.92Å; F135-S138 WeakPolarHBondContact O-CB 3.47Å; F135-S138 PolarHBondContact O-N 3Å; F135-S138 PolarHBondContact O-OG 3.35Å; S138-E140 VanDerWaalsContact C-N 3.31Å; S138-E140 PolarHBondContact O-N 3.18Å; S138-N141 PolarHBondContact O-N 3.4Å; S138-N141 WeakPolarHBondContact OG-CB 3.2Å; S138-N141 PolarHBondContact OG-N 2.84Å; S138-L142 WeakPolarHBondContact O-CB 3.15Å; S138-L142 WeakPolarHBondContact O-CG 3.21Å; S138-L142 PolarHBondContact O-N 2.76Å |
| 139 | R | 81.3 | Confident | 89.1 | Confident | 158 Ų | 158 | 57.5 Ų | 57.5 | 60% | 0.596 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -38.6 | -178.8 | 175.4 | 177 | 159.6 | -114.6 | -10.3 | 111.7 | S143 F283 | R139-S143 VanDerWaalsContact O-CB 3.26Å; R139-S143 WeakPolarHBondContact O-CB 3.33Å; R139-S143 PolarHBondContact O-N 3.06Å; R139-S143 VanDerWaalsContact O-N 3.17Å; R139-S143 PolarHBondContact O-OG 3.37Å; R139-F283 HydrophobicContact CG-CD2 4.4Å; R139-F283 HydrophobicContact CG-CE2 4.28Å |
| 140 | E | 81.9 | Confident | 88.9 | Confident | 107 Ų | 107 | 61.1 Ų | 61.1 | 50% | 0.5 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -42.2 | 178.8 | 46.2 | -83.3 | -161.1 | 0 | 0 | 112 | S138 S143 K144 | S138-E140 VanDerWaalsContact C-N 3.31Å; S138-E140 PolarHBondContact O-N 3.18Å; E140-S143 PolarHBondContact O-N 3.16Å; E140-S143 PolarHBondContact O-OG 3.28Å; E140-K144 WeakPolarHBondContact O-CG 3.41Å |
| 141 | N | 87.9 | Confident | 88.9 | Confident | 26 Ų | 26 | 61 Ų | 61 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -55.5 | 174.3 | -171.1 | 59.7 | 0 | 0 | 0 | 111 | F135 C136 S138 S143 K144 D145 | F135-N141 HydrophobicContact CE1-CB 4.3Å; F135-N141 HydrophobicContact CZ-CB 4.24Å; F135-N141 WeakPolarHBondContact O-CB 3.48Å; C136-N141 PolarHBondContact O-ND2 3.14Å; S138-N141 PolarHBondContact O-N 3.4Å; S138-N141 WeakPolarHBondContact OG-CB 3.2Å; S138-N141 PolarHBondContact OG-N 2.84Å; N141-S143 PolarHBondContact O-N 3.14Å; N141-K144 PolarHBondContact O-N 2.78Å; N141-D145 PolarHBondContact ND2-OD2 2.99Å; N141-D145 WeakPolarHBondContact O-CB 3.42Å; N141-D145 PolarHBondContact O-N 3.02Å |
| 142 | L | 87.1 | Confident | 88.9 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.016 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -13.2 | 179.4 | -65.8 | 178.1 | 0 | 0 | 0 | 114.1 | C136 F137 S138 L148 I149 P200 F284 | C136-L142 WeakPolarHBondContact O-CD2 3.36Å; C136-L142 WeakPolarHBondContact O-CG 3.3Å; F137-L142 HydrophobicContact CD1-CD1 4.32Å; F137-L142 WeakPolarHBondContact O-CD1 3.44Å; S138-L142 WeakPolarHBondContact O-CB 3.15Å; S138-L142 WeakPolarHBondContact O-CG 3.21Å; S138-L142 PolarHBondContact O-N 2.76Å; L142-L148 HydrophobicContact CD2-CB 3.71Å; L142-L148 HydrophobicContact CD2-CD1 3.76Å; L142-L148 HydrophobicContact CD2-CG 4.39Å; L142-I149 WeakPolarHBondContact O-CD1 3.26Å; L142-I149 WeakPolarHBondContact O-CG1 3.4Å; L142-P200 HydrophobicContact CD1-CB 4.43Å; L142-P200 HydrophobicContact CD1-CG 3.39Å; L142-F284 HydrophobicContact CB-CE2 3.98Å; L142-F284 HydrophobicContact CB-CZ 3.6Å; L142-F284 HydrophobicContact CD1-CE2 4.26Å; L142-F284 WeakPolarHBondContact O-CE1 3.28Å; L142-F284 WeakPolarHBondContact O-CZ 3.09Å |
| 143 | S | 82.4 | Confident | 88.8 | Confident | 65 Ų | 65 | 55.8 Ų | 55.8 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -15.5 | 171.5 | 73.5 | 0 | 0 | 0 | 0 | 114.4 | R139 E140 N141 | R139-S143 VanDerWaalsContact O-CB 3.26Å; R139-S143 WeakPolarHBondContact O-CB 3.33Å; R139-S143 PolarHBondContact O-N 3.06Å; R139-S143 VanDerWaalsContact O-N 3.17Å; R139-S143 PolarHBondContact O-OG 3.37Å; E140-S143 PolarHBondContact O-N 3.16Å; E140-S143 PolarHBondContact O-OG 3.28Å; N141-S143 PolarHBondContact O-N 3.14Å |
| 144 | K | 88.5 | Confident | 88.4 | Confident | 157 Ų | 157 | 60.5 Ų | 60.5 | 68% | 0.683 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | -36.7 | -176.8 | -60.7 | 168.9 | -174.6 | 174.6 | 0 | 111.9 | E140 N141 L146 | E140-K144 WeakPolarHBondContact O-CG 3.41Å; N141-K144 PolarHBondContact O-N 2.78Å; K144-L146 PolarHBondContact O-N 2.74Å |
| 145 | D | 89.3 | Confident | 88.1 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 16% | 0.155 | 32% | 0.319 | C | S | . | . | trans | -73.9 | 87.6 | -175.1 | -170.8 | -24.5 | 0 | 0 | 0 | 111.3 | N141 Y147 L148 I149 | N141-D145 PolarHBondContact ND2-OD2 2.99Å; N141-D145 WeakPolarHBondContact O-CB 3.42Å; N141-D145 PolarHBondContact O-N 3.02Å; D145-Y147 PolarHBondContact O-N 2.98Å; D145-Y147 WeakPolarHBondContact OD1-CA 3.2Å; D145-Y147 WeakPolarHBondContact OD1-CB 3.23Å; D145-Y147 PolarHBondContact OD1-N 3.44Å; D145-L148 HydrophobicContact CB-CB 4.37Å; D145-L148 PolarHBondContact O-N 2.76Å; D145-L148 PolarHBondContact OD1-N 3.41Å; D145-L148 WeakPolarHBondContact OD2-CD1 3.25Å; D145-L148 VanDerWaalsContact OD2-CG 3.27Å; D145-L148 WeakPolarHBondContact OD2-CG 3.45Å; D145-I149 WeakPolarHBondContact O-CD1 3.27Å; D145-I149 WeakPolarHBondContact O-CG1 2.98Å; D145-I149 PolarHBondContact O-N 2.92Å; D145-I149 VanDerWaalsContact O-N 3.11Å | ||
| 146 | L | 91.3 | Very high | 88 | Confident | 136 Ų | 136 | 59.6 Ų | 59.6 | 71% | 0.712 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -61.4 | -24.5 | 176.6 | -58.4 | -177 | 0 | 0 | 0 | 112.7 | K144 I149 S150 | K144-L146 PolarHBondContact O-N 2.74Å; L146-I149 HydrophobicContact CD2-CD1 4.26Å; L146-S150 VanDerWaalsContact O-CB 3.29Å; L146-S150 WeakPolarHBondContact O-CB 3.37Å; L146-S150 PolarHBondContact O-N 3.1Å |
| 147 | Y | 93.4 | Very high | 88.1 | Confident | 108 Ų | 108 | 60.8 Ų | 60.8 | 42% | 0.424 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -70.1 | -56.5 | 177.7 | 175.9 | -106.5 | 0 | 0 | 0 | 109.8 | D145 I149 S150 Q151 T162 | D145-Y147 PolarHBondContact O-N 2.98Å; D145-Y147 WeakPolarHBondContact OD1-CA 3.2Å; D145-Y147 WeakPolarHBondContact OD1-CB 3.23Å; D145-Y147 PolarHBondContact OD1-N 3.44Å; Y147-I149 VanDerWaalsContact C-N 3.34Å; Y147-I149 PolarHBondContact O-N 3.17Å; Y147-S150 WeakPolarHBondContact O-CB 3.43Å; Y147-S150 PolarHBondContact O-N 3.27Å; Y147-S150 PolarHBondContact O-OG 3.15Å; Y147-Q151 HydrophobicContact CD2-CG 4.45Å; Y147-Q151 HydrophobicContact CE1-CG 4.42Å; Y147-Q151 HydrophobicContact CE2-CG 4.15Å; Y147-Q151 WeakPolarHBondContact O-CG 3.39Å; Y147-Q151 PolarHBondContact O-N 3.08Å; Y147-Q151 VanDerWaalsContact O-N 3.13Å; Y147-T162 HydrophobicContact CE1-CG2 3.76Å |
| 148 | L | 92.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 176.9 | -70.1 | 179.5 | 0 | 0 | 0 | 111.7 | C136 L142 D145 S150 Q151 M152 I158 M166 | C136-L148 HydrophobicContact CB-CD1 4.15Å; C136-L148 WeakPolarHBondContact O-CD1 3.38Å; L142-L148 HydrophobicContact CD2-CB 3.71Å; L142-L148 HydrophobicContact CD2-CD1 3.76Å; L142-L148 HydrophobicContact CD2-CG 4.39Å; D145-L148 HydrophobicContact CB-CB 4.37Å; D145-L148 PolarHBondContact O-N 2.76Å; D145-L148 PolarHBondContact OD1-N 3.41Å; D145-L148 WeakPolarHBondContact OD2-CD1 3.25Å; D145-L148 VanDerWaalsContact OD2-CG 3.27Å; D145-L148 WeakPolarHBondContact OD2-CG 3.45Å; L148-S150 PolarHBondContact O-N 3.37Å; L148-Q151 PolarHBondContact O-N 3.32Å; L148-M152 WeakPolarHBondContact O-CG 3.35Å; L148-M152 PolarHBondContact O-N 2.96Å; L148-M152 VanDerWaalsContact O-N 3.1Å; L148-I158 HydrophobicContact CB-CD1 3.77Å; L148-I158 HydrophobicContact CD2-CD1 3.75Å; L148-I158 HydrophobicContact CD2-CG2 4.41Å; L148-I158 HydrophobicContact CG-CD1 4.27Å; L148-I158 WeakPolarHBondContact O-CD1 3.05Å; L148-M166 HydrophobicContact CD1-CE 4.28Å; L148-M166 HydrophobicContact CD1-SD 4.36Å; L148-M166 HydrophobicContact CD2-SD 3.97Å |
| 149 | I | 90.2 | Very high | 88.9 | Confident | 37 Ų | 37 | 61.1 Ų | 61.1 | 19% | 0.19 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.5 | -35 | 175.8 | -60 | 163.4 | 0 | 0 | 0 | 112.6 | L142 D145 L146 Y147 F284 K286 | L142-I149 WeakPolarHBondContact O-CD1 3.26Å; L142-I149 WeakPolarHBondContact O-CG1 3.4Å; D145-I149 WeakPolarHBondContact O-CD1 3.27Å; D145-I149 WeakPolarHBondContact O-CG1 2.98Å; D145-I149 PolarHBondContact O-N 2.92Å; D145-I149 VanDerWaalsContact O-N 3.11Å; L146-I149 HydrophobicContact CD2-CD1 4.26Å; Y147-I149 VanDerWaalsContact C-N 3.34Å; Y147-I149 PolarHBondContact O-N 3.17Å; I149-F284 HydrophobicContact CD1-CE1 4.12Å; I149-F284 HydrophobicContact CG1-CD1 4.24Å; I149-F284 HydrophobicContact CG1-CE1 3.87Å; I149-F284 HydrophobicContact CG2-CD1 4.31Å; I149-K286 PolarHBondContact O-NZ 3.41Å |
| 150 | S | 90.8 | Very high | 89.4 | Confident | 76 Ų | 76 | 54 Ų | 54 | 53% | 0.531 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -70.3 | -33.5 | 177.5 | 78.5 | 0 | 0 | 0 | 0 | 112.7 | L146 Y147 L148 | L146-S150 VanDerWaalsContact O-CB 3.29Å; L146-S150 WeakPolarHBondContact O-CB 3.37Å; L146-S150 PolarHBondContact O-N 3.1Å; Y147-S150 WeakPolarHBondContact O-CB 3.43Å; Y147-S150 PolarHBondContact O-N 3.27Å; Y147-S150 PolarHBondContact O-OG 3.15Å; L148-S150 PolarHBondContact O-N 3.37Å |
| 151 | Q | 92 | Very high | 89.9 | Confident | 65 Ų | 65 | 56.2 Ų | 56.2 | 30% | 0.304 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -84.5 | -11.7 | -179.4 | -57.3 | -62.4 | -46.2 | 0 | 0 | 112.8 | Y147 L148 D153 I158 T162 | Y147-Q151 HydrophobicContact CD2-CG 4.45Å; Y147-Q151 HydrophobicContact CE1-CG 4.42Å; Y147-Q151 HydrophobicContact CE2-CG 4.15Å; Y147-Q151 WeakPolarHBondContact O-CG 3.39Å; Y147-Q151 PolarHBondContact O-N 3.08Å; Y147-Q151 VanDerWaalsContact O-N 3.13Å; L148-Q151 PolarHBondContact O-N 3.32Å; Q151-D153 PolarHBondContact O-N 3.3Å; Q151-I158 HydrophobicContact CB-CG2 4.03Å; Q151-T162 HydrophobicContact CB-CG2 4.02Å; Q151-T162 HydrophobicContact CG-CG2 3.72Å |
| 152 | M | 91.4 | Very high | 90.2 | Very high | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.03 | 28% | 0.283 | C | S | . | . | trans | -69.6 | 123.6 | 172.6 | -69.2 | 171.9 | 94 | 0 | 0 | 112.2 | L148 Q156 F157 I158 P200 F284 K286 | L148-M152 WeakPolarHBondContact O-CG 3.35Å; L148-M152 PolarHBondContact O-N 2.96Å; L148-M152 VanDerWaalsContact O-N 3.1Å; M152-Q156 HydrophobicContact CE-CB 3.58Å; M152-Q156 HydrophobicContact CE-CG 3.89Å; M152-Q156 WeakPolarHBondContact CE-O 3.25Å; M152-F157 WeakPolarHBondContact CA-O 3.41Å; M152-I158 HydrophobicContact CB-CG1 4.34Å; M152-I158 HydrophobicContact CG-CD1 3.61Å; M152-I158 HydrophobicContact CG-CG1 3.42Å; M152-I158 VanDerWaalsContact CG-CG1 3.42Å; M152-I158 HydrophobicContact SD-CD1 4.49Å; M152-P200 HydrophobicContact CE-CG 4.42Å; M152-F284 HydrophobicContact CE-CB 4.45Å; M152-F284 HydrophobicContact CE-CD2 3.64Å; M152-F284 HydrophobicContact CE-CE2 4.25Å; M152-F284 HydrophobicContact CE-CG 4.12Å; M152-F284 HydrophobicContact SD-CD2 4.06Å; M152-F284 HydrophobicContact SD-CE2 4.48Å; M152-F284 HydrophobicContact SD-CG 4.12Å; M152-K286 PolarHBondContact O-NZ 3.06Å | ||
| 153 | D | 89.8 | Confident | 90.4 | Very high | 44 Ų | 44 | 54.9 Ų | 54.9 | 24% | 0.235 | 28% | 0.282 | C | S | . | . | trans | -74.5 | -168 | 172.2 | 68.4 | 21.4 | 0 | 0 | 0 | 113.7 | Q151 D155 Q156 F157 K197 | Q151-D153 PolarHBondContact O-N 3.3Å; D153-D155 PolarHBondContact O-N 2.99Å; D153-D155 PolarHBondContact OD1-N 3.37Å; D153-Q156 PolarHBondContact O-N 2.98Å; D153-Q156 PolarHBondContact OD1-N 3.05Å; D153-F157 PolarHBondContact N-O 2.82Å; D153-F157 PolarHBondContact OD1-N 2.84Å; D153-K197 IonicContact OD2-NZ 3.63Å; D153-K197 PolarHBondContact OD2-NZ 3.23Å | ||
| 154 | S | 85.1 | Confident | 90.9 | Very high | 100 Ų | 100 | 52.9 Ų | 52.9 | 70% | 0.699 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -35.7 | 179.1 | 43.7 | 0 | 0 | 0 | 0 | 113.3 | Q156 | S154-Q156 VanDerWaalsContact C-N 3.32Š|
| 155 | D | 83.8 | Confident | 91.1 | Very high | 94 Ų | 94 | 49.2 Ų | 49.2 | 50% | 0.503 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.1 | 16.8 | -171.8 | -64.5 | -83.9 | 0 | 0 | 0 | 111.8 | D153 F157 R199 | D153-D155 PolarHBondContact O-N 2.99Å; D153-D155 PolarHBondContact OD1-N 3.37Å; D155-F157 HydrophobicContact CB-CD2 3.89Å; D155-F157 HydrophobicContact CB-CE2 4.19Å; D155-F157 PolarHBondContact O-N 3.12Å; D155-R199 WeakPolarHBondContact O-CD 3.23Å; D155-R199 PolarHBondContact O-NH1 3.38Å; D155-R199 VanDerWaalsContact O-NH1 3.12Å |
| 156 | Q | 87.5 | Confident | 91.2 | Very high | 21 Ų | 21 | 49 Ų | 49 | 10% | 0.098 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 65.6 | 19.7 | 177 | -68.3 | 177.3 | 27.3 | 0 | 0 | 114.2 | M152 D153 S154 R199 H202 F284 | M152-Q156 HydrophobicContact CE-CB 3.58Å; M152-Q156 HydrophobicContact CE-CG 3.89Å; M152-Q156 WeakPolarHBondContact CE-O 3.25Å; D153-Q156 PolarHBondContact O-N 2.98Å; D153-Q156 PolarHBondContact OD1-N 3.05Å; S154-Q156 VanDerWaalsContact C-N 3.32Å; Q156-R199 WeakPolarHBondContact O-CB 3.18Å; Q156-H202 PolarHBondContact OE1-NE2 2.73Å; Q156-F284 HydrophobicContact CG-CB 4.23Å; Q156-F284 PolarHBondContact NE2-O 3.38Å |
| 157 | F | 92.1 | Very high | 91.2 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 11% | 0.11 | 25% | 0.251 | C | S | . | . | trans | -83.2 | 139.1 | 172.5 | -71.3 | -84.3 | 0 | 0 | 0 | 112.1 | M152 D153 D155 D192 K197 V198 R199 | M152-F157 WeakPolarHBondContact CA-O 3.41Å; D153-F157 PolarHBondContact N-O 2.82Å; D153-F157 PolarHBondContact OD1-N 2.84Å; D155-F157 HydrophobicContact CB-CD2 3.89Å; D155-F157 HydrophobicContact CB-CE2 4.19Å; D155-F157 PolarHBondContact O-N 3.12Å; F157-D192 HydrophobicContact CE1-CB 4.02Å; F157-K197 HydrophobicContact CB-CB 4.08Å; F157-K197 HydrophobicContact CB-CD 3.92Å; F157-K197 HydrophobicContact CB-CG 4.44Å; F157-K197 HydrophobicContact CD1-CB 3.87Å; F157-K197 HydrophobicContact CG-CB 4.24Å; F157-K197 HydrophobicContact CG-CD 4.36Å; F157-V198 CarbonylContact C-O 3.6Å; F157-V198 WeakPolarHBondContact CA-O 3.39Å; F157-R199 HydrophobicContact CD1-CB 3.77Å; F157-R199 HydrophobicContact CD1-CG 3.83Å; F157-R199 HydrophobicContact CE1-CB 4.18Å; F157-R199 HydrophobicContact CE1-CG 3.7Å; F157-R199 HydrophobicContact CG-CB 4.06Å; F157-R199 HydrophobicContact CG-CG 4.35Å; F157-R199 HydrophobicContact CZ-CG 4.11Å | ||
| 158 | I | 94 | Very high | 91 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 138.3 | 168 | -54.7 | -171.7 | 0 | 0 | 0 | 107.4 | F137 L148 Q151 M152 T162 V163 K197 V198 | F137-I158 HydrophobicContact CE1-CB 4.44Å; F137-I158 HydrophobicContact CE1-CD1 3.86Å; F137-I158 HydrophobicContact CE1-CG1 4.28Å; L148-I158 HydrophobicContact CB-CD1 3.77Å; L148-I158 HydrophobicContact CD2-CD1 3.75Å; L148-I158 HydrophobicContact CD2-CG2 4.41Å; L148-I158 HydrophobicContact CG-CD1 4.27Å; L148-I158 WeakPolarHBondContact O-CD1 3.05Å; Q151-I158 HydrophobicContact CB-CG2 4.03Å; M152-I158 HydrophobicContact CB-CG1 4.34Å; M152-I158 HydrophobicContact CG-CD1 3.61Å; M152-I158 HydrophobicContact CG-CG1 3.42Å; M152-I158 VanDerWaalsContact CG-CG1 3.42Å; M152-I158 HydrophobicContact SD-CD1 4.49Å; I158-T162 HydrophobicContact CG2-CG2 4Å; I158-V163 HydrophobicContact CG2-CG2 4.06Å; I158-K197 WeakPolarHBondContact O-CA 3.37Å; I158-V198 PolarHBondContact N-O 3.02Å; I158-V198 PolarHBondContact O-N 3.48Å |
| 159 | P | 94.4 | Very high | 91.1 | Very high | 27 Ų | 27 | 47.8 Ų | 47.8 | 18% | 0.175 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 139.4 | 172.9 | -20.2 | 32.6 | 0 | 0 | 0 | 111.9 | W161 T162 | P159-W161 HydrophobicContact CB-CG 4.14Å; P159-W161 PolarHBondContact O-N 2.84Å; P159-T162 VanDerWaalsContact O-CB 3.22Å; P159-T162 WeakPolarHBondContact O-CB 3.41Å; P159-T162 PolarHBondContact O-N 3.37Å; P159-T162 PolarHBondContact O-OG1 2.88Å |
| 160 | I | 93.3 | Very high | 91.2 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 5% | 0.046 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.8 | -26.5 | -178.2 | -70.6 | 172.9 | 0 | 0 | 0 | 111.6 | T162 V163 A164 I179 L180 L183 V191 E196 V198 | I160-T162 PolarHBondContact O-N 3.43Å; I160-V163 PolarHBondContact O-N 2.99Å; I160-A164 WeakPolarHBondContact O-CB 3.39Å; I160-A164 PolarHBondContact O-N 3.46Å; I160-I179 HydrophobicContact CG2-CG2 4.25Å; I160-L180 HydrophobicContact CD1-CD2 3.49Å; I160-L180 VanDerWaalsContact CD1-CD2 3.49Å; I160-L183 HydrophobicContact CD1-CD1 3.85Å; I160-L183 HydrophobicContact CG1-CD1 4.03Å; I160-L183 HydrophobicContact CG2-CD1 4.37Å; I160-V191 HydrophobicContact CD1-CG1 4.06Å; I160-E196 PolarHBondContact N-O 3.48Å; I160-V198 HydrophobicContact CD1-CB 4.05Å; I160-V198 HydrophobicContact CD1-CG1 4.33Å; I160-V198 HydrophobicContact CG1-CB 3.88Å; I160-V198 HydrophobicContact CG1-CG1 3.62Å |
| 161 | W | 92.6 | Very high | 91.2 | Very high | 153 Ų | 153 | 54 Ų | 54 | 58% | 0.58 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -59.7 | -32.3 | 170.4 | 76.2 | -102.5 | 0 | 0 | 0 | 112.6 | P159 N165 | P159-W161 HydrophobicContact CB-CG 4.14Å; P159-W161 PolarHBondContact O-N 2.84Å; W161-N165 VanDerWaalsContact O-CB 3.29Å; W161-N165 WeakPolarHBondContact O-CB 3.23Å; W161-N165 PolarHBondContact O-N 2.87Å; W161-N165 VanDerWaalsContact O-N 3.14Å; W161-N165 PolarHBondContact O-ND2 2.88Å |
| 162 | T | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.9 | -44.7 | 177.5 | -53.1 | 0 | 0 | 0 | 0 | 110.4 | Y147 Q151 I158 P159 I160 N165 M166 | Y147-T162 HydrophobicContact CE1-CG2 3.76Å; Q151-T162 HydrophobicContact CB-CG2 4.02Å; Q151-T162 HydrophobicContact CG-CG2 3.72Å; I158-T162 HydrophobicContact CG2-CG2 4Å; P159-T162 VanDerWaalsContact O-CB 3.22Å; P159-T162 WeakPolarHBondContact O-CB 3.41Å; P159-T162 PolarHBondContact O-N 3.37Å; P159-T162 PolarHBondContact O-OG1 2.88Å; I160-T162 PolarHBondContact O-N 3.43Å; T162-N165 PolarHBondContact O-N 2.96Å; T162-M166 PolarHBondContact O-N 2.78Å |
| 163 | V | 91.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.3 | -48.6 | -179.4 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | L133 F137 I158 I160 N165 M166 I169 V198 | L133-V163 HydrophobicContact CD2-CG1 3.45Å; L133-V163 VanDerWaalsContact CD2-CG1 3.45Å; F137-V163 HydrophobicContact CE2-CG1 4.22Å; F137-V163 HydrophobicContact CE2-CG2 4.15Å; F137-V163 HydrophobicContact CZ-CG2 3.68Å; I158-V163 HydrophobicContact CG2-CG2 4.06Å; I160-V163 PolarHBondContact O-N 2.99Å; V163-N165 PolarHBondContact O-N 3.17Å; V163-N165 VanDerWaalsContact O-N 3.12Å; V163-M166 WeakPolarHBondContact O-CB 3.33Å; V163-M166 WeakPolarHBondContact O-CG 3.23Å; V163-M166 PolarHBondContact O-N 2.95Å; V163-I169 HydrophobicContact CG1-CD1 3.62Å; V163-I169 WeakPolarHBondContact O-CD1 3.4Å; V163-V198 HydrophobicContact CG2-CG1 4.05Å |
| 164 | A | 92.6 | Very high | 91.3 | Very high | 24 Ų | 24 | 57.1 Ų | 57.1 | 20% | 0.198 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -13.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | I160 K170 I179 | I160-A164 WeakPolarHBondContact O-CB 3.39Å; I160-A164 PolarHBondContact O-N 3.46Å; A164-K170 WeakPolarHBondContact O-CG 3.39Å; A164-I179 HydrophobicContact CB-CD1 3.56Å |
| 165 | N | 91.9 | Very high | 91.6 | Very high | 79 Ų | 79 | 57 Ų | 57 | 42% | 0.422 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -9.5 | 173.9 | -92.1 | -73 | 0 | 0 | 0 | 114.5 | W161 T162 V163 K170 | W161-N165 VanDerWaalsContact O-CB 3.29Å; W161-N165 WeakPolarHBondContact O-CB 3.23Å; W161-N165 PolarHBondContact O-N 2.87Å; W161-N165 VanDerWaalsContact O-N 3.14Å; W161-N165 PolarHBondContact O-ND2 2.88Å; T162-N165 PolarHBondContact O-N 2.96Å; V163-N165 PolarHBondContact O-N 3.17Å; V163-N165 VanDerWaalsContact O-N 3.12Å; N165-K170 PolarHBondContact O-NZ 3.03Å; N165-K170 WeakPolarHBondContact OD1-CE 3.49Å; N165-K170 PolarHBondContact OD1-NZ 3.29Å |
| 166 | M | 91.4 | Very high | 91.9 | Very high | 25 Ų | 25 | 56 Ų | 56 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -65.1 | 139.5 | 176.2 | -62.6 | 179.6 | 67.9 | 0 | 0 | 111 | C136 L148 T162 V163 E168 I169 K170 | C136-M166 HydrophobicContact CB-CE 4.34Å; C136-M166 HydrophobicContact CB-SD 4.38Å; C136-M166 VanDerWaalsContact SG-CE 3.56Å; L148-M166 HydrophobicContact CD1-CE 4.28Å; L148-M166 HydrophobicContact CD1-SD 4.36Å; L148-M166 HydrophobicContact CD2-SD 3.97Å; T162-M166 PolarHBondContact O-N 2.78Å; V163-M166 WeakPolarHBondContact O-CB 3.33Å; V163-M166 WeakPolarHBondContact O-CG 3.23Å; V163-M166 PolarHBondContact O-N 2.95Å; M166-E168 VanDerWaalsContact C-N 3.35Å; M166-E168 PolarHBondContact O-N 3.31Å; M166-I169 HydrophobicContact CB-CB 4.49Å; M166-I169 HydrophobicContact CB-CD1 4.28Å; M166-I169 PolarHBondContact O-N 2.67Å; M166-I169 HydrophobicContact SD-CD1 4.27Å; M166-K170 PolarHBondContact O-N 2.72Å |
| 167 | E | 91.3 | Very high | 92.1 | Very high | 131 Ų | 131 | 60.8 Ų | 60.8 | 61% | 0.612 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.1 | -42.8 | -173.5 | -169.2 | -173.9 | 141.9 | 0 | 0 | 112.7 | I169 K170 K171 | E167-I169 VanDerWaalsContact C-N 3.27Å; E167-I169 PolarHBondContact O-N 3.32Å; E167-K170 PolarHBondContact O-N 2.77Å; E167-K171 HydrophobicContact CG-CD 4.41Å; E167-K171 VanDerWaalsContact O-CG 3.3Å; E167-K171 WeakPolarHBondContact O-CG 3.2Å; E167-K171 PolarHBondContact O-N 3.34Å; E167-K171 VanDerWaalsContact OE1-CE 3.25Å; E167-K171 WeakPolarHBondContact OE1-CE 3.49Å; E167-K171 IonicContact OE1-NZ 2.73Å; E167-K171 PolarHBondContact OE1-NZ 2.83Å |
| 168 | E | 90.6 | Very high | 92.1 | Very high | 88 Ų | 88 | 61.1 Ų | 61.1 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.2 | -33.4 | 180 | -53.6 | 170.8 | 131.3 | 0 | 0 | 112.4 | Q132 M166 | Q132-E168 HydrophobicContact CG-CB 3.85Å; Q132-E168 PolarHBondContact NE2-OE1 3.1Å; Q132-E168 PolarHBondContact NE2-OE2 3.07Å; M166-E168 VanDerWaalsContact C-N 3.35Å; M166-E168 PolarHBondContact O-N 3.31Å |
| 169 | I | 92.5 | Very high | 92 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -82.5 | -41.6 | -179.8 | -70 | 166.9 | 0 | 0 | 0 | 110.2 | L129 Q132 L133 V163 M166 E167 K171 L172 T173 I179 | L129-I169 HydrophobicContact CD1-CG2 3.97Å; Q132-I169 HydrophobicContact CG-CG1 4.11Å; L133-I169 HydrophobicContact CD2-CD1 3.56Å; L133-I169 HydrophobicContact CD2-CG1 4.39Å; L133-I169 HydrophobicContact CG-CD1 4.32Å; V163-I169 HydrophobicContact CG1-CD1 3.62Å; V163-I169 WeakPolarHBondContact O-CD1 3.4Å; M166-I169 HydrophobicContact CB-CB 4.49Å; M166-I169 HydrophobicContact CB-CD1 4.28Å; M166-I169 PolarHBondContact O-N 2.67Å; M166-I169 HydrophobicContact SD-CD1 4.27Å; E167-I169 VanDerWaalsContact C-N 3.27Å; E167-I169 PolarHBondContact O-N 3.32Å; I169-K171 PolarHBondContact O-N 3.29Å; I169-L172 PolarHBondContact O-N 3.04Å; I169-T173 PolarHBondContact O-N 3.07Å; I169-T173 VanDerWaalsContact O-O 3.13Å; I169-I179 HydrophobicContact CG2-CD1 3.84Å; I169-I179 HydrophobicContact CG2-CG1 4.38Å |
| 170 | K | 92.7 | Very high | 92 | Very high | 95 Ų | 95 | 61.4 Ų | 61.4 | 41% | 0.413 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.2 | -34.8 | 172.3 | -81.6 | 177 | 167 | 149.1 | 0 | 113.7 | A164 N165 M166 E167 L172 T173 | A164-K170 WeakPolarHBondContact O-CG 3.39Å; N165-K170 PolarHBondContact O-NZ 3.03Å; N165-K170 WeakPolarHBondContact OD1-CE 3.49Å; N165-K170 PolarHBondContact OD1-NZ 3.29Å; M166-K170 PolarHBondContact O-N 2.72Å; E167-K170 PolarHBondContact O-N 2.77Å; K170-L172 PolarHBondContact O-N 3.27Å; K170-T173 WeakPolarHBondContact CA-O 3.47Å |
| 171 | K | 92.3 | Very high | 91.9 | Very high | 147 Ų | 147 | 65.8 Ų | 65.8 | 64% | 0.639 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -18.5 | 175 | -77.6 | 171.3 | 178.6 | 173.6 | 0 | 113.4 | E167 I169 | E167-K171 HydrophobicContact CG-CD 4.41Å; E167-K171 VanDerWaalsContact O-CG 3.3Å; E167-K171 WeakPolarHBondContact O-CG 3.2Å; E167-K171 PolarHBondContact O-N 3.34Å; E167-K171 VanDerWaalsContact OE1-CE 3.25Å; E167-K171 WeakPolarHBondContact OE1-CE 3.49Å; E167-K171 IonicContact OE1-NZ 2.73Å; E167-K171 PolarHBondContact OE1-NZ 2.83Å; I169-K171 PolarHBondContact O-N 3.29Å |
| 172 | L | 91 | Very high | 92 | Very high | 51 Ų | 51 | 58.7 Ų | 58.7 | 27% | 0.267 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -40 | 179.5 | -61.3 | 174.7 | 0 | 0 | 0 | 112.6 | C128 L129 Q132 I169 K170 | C128-L172 HydrophobicContact CB-CD1 4.42Å; C128-L172 HydrophobicContact CB-CD2 4.41Å; L129-L172 HydrophobicContact CB-CD1 4.43Å; Q132-L172 HydrophobicContact CB-CD1 4.19Å; I169-L172 PolarHBondContact O-N 3.04Å; K170-L172 PolarHBondContact O-N 3.27Å |
| 173 | T | 91.1 | Very high | 91.9 | Very high | 10 Ų | 10 | 58.8 Ų | 58.8 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | trans | -157.7 | 156.2 | 174.6 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | L129 I169 K170 D175 L178 I179 | L129-T173 HydrophobicContact CD1-CG2 4.11Å; L129-T173 HydrophobicContact CD2-CG2 3.62Å; I169-T173 PolarHBondContact O-N 3.07Å; I169-T173 VanDerWaalsContact O-O 3.13Å; K170-T173 WeakPolarHBondContact CA-O 3.47Å; T173-D175 WeakPolarHBondContact OG1-CB 3.43Å; T173-D175 PolarHBondContact OG1-N 3.49Å; T173-D175 PolarHBondContact OG1-OD2 3.39Å; T173-L178 HydrophobicContact CG2-CD2 4.17Å; T173-I179 HydrophobicContact CG2-CD1 4.03Å; T173-I179 HydrophobicContact CG2-CG1 3.7Å | ||
| 174 | T | 92.5 | Very high | 91.8 | Very high | 120 Ų | 120 | 66.5 Ų | 66.5 | 74% | 0.736 | 33% | 0.333 | S | S | * | . | trans | -106 | -4.8 | 167.2 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | P176 | T174-P176 WeakPolarHBondContact O-CD 3.28Š| ||
| 175 | D | 92 | Very high | 91.7 | Very high | 97 Ų | 97 | 68.8 Ų | 68.8 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | trans | -85 | 114.2 | -170.2 | -55.5 | -52.5 | 0 | 0 | 0 | 111.7 | T173 D177 L178 I179 | T173-D175 WeakPolarHBondContact OG1-CB 3.43Å; T173-D175 PolarHBondContact OG1-N 3.49Å; T173-D175 PolarHBondContact OG1-OD2 3.39Å; D175-D177 VanDerWaalsContact C-N 3.3Å; D175-D177 PolarHBondContact O-N 3.43Å; D175-L178 HydrophobicContact CB-CB 3.95Å; D175-L178 PolarHBondContact O-N 3.04Å; D175-I179 WeakPolarHBondContact O-CG1 3.28Å; D175-I179 PolarHBondContact O-N 3.05Å | ||
| 176 | P | 89.3 | Confident | 91.5 | Very high | 73 Ų | 73 | 65.5 Ų | 65.5 | 47% | 0.474 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.7 | -33 | -176.8 | 27.4 | -34.5 | 0 | 0 | 0 | 112.3 | T174 I179 L180 | T174-P176 WeakPolarHBondContact O-CD 3.28Å; P176-I179 PolarHBondContact O-N 2.68Å; P176-L180 WeakPolarHBondContact O-CB 3.32Å; P176-L180 VanDerWaalsContact O-CG 3.3Å; P176-L180 WeakPolarHBondContact O-CG 3.4Å; P176-L180 PolarHBondContact O-N 3.15Å |
| 177 | D | 91.1 | Very high | 90.9 | Very high | 123 Ų | 123 | 66.7 Ų | 66.7 | 66% | 0.658 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.5 | -34.3 | 179.6 | -64.8 | -53.2 | 0 | 0 | 0 | 112.4 | D175 L180 E181 | D175-D177 VanDerWaalsContact C-N 3.3Å; D175-D177 PolarHBondContact O-N 3.43Å; D177-L180 PolarHBondContact O-N 2.84Å; D177-E181 PolarHBondContact O-N 3.08Å |
| 178 | L | 92.8 | Very high | 90.3 | Very high | 32 Ų | 32 | 65.4 Ų | 65.4 | 17% | 0.168 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.9 | -42.6 | 173.6 | -177.3 | 61.5 | 0 | 0 | 0 | 111 | L125 K126 L129 T173 D175 L180 E181 V182 | L125-L178 HydrophobicContact CD2-CD2 4.19Å; K126-L178 HydrophobicContact CD-CD1 4.24Å; K126-L178 HydrophobicContact CG-CD1 3.87Å; L129-L178 HydrophobicContact CD2-CD2 4.25Å; L129-L178 HydrophobicContact CD2-CG 3.97Å; T173-L178 HydrophobicContact CG2-CD2 4.17Å; D175-L178 HydrophobicContact CB-CB 3.95Å; D175-L178 PolarHBondContact O-N 3.04Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 PolarHBondContact O-N 3Å; L178-E181 PolarHBondContact O-N 2.89Å; L178-V182 WeakPolarHBondContact O-CG2 3.4Å; L178-V182 PolarHBondContact O-N 3.04Å |
| 179 | I | 92.9 | Very high | 90.1 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 173.4 | -63.5 | 167.6 | 0 | 0 | 0 | 110.1 | L129 L133 I160 A164 I169 T173 D175 P176 V182 L183 | L129-I179 HydrophobicContact CD1-CG1 4.39Å; L129-I179 HydrophobicContact CD2-CG1 4.22Å; L133-I179 HydrophobicContact CD1-CG2 4.38Å; L133-I179 HydrophobicContact CD2-CG2 4.28Å; I160-I179 HydrophobicContact CG2-CG2 4.25Å; A164-I179 HydrophobicContact CB-CD1 3.56Å; I169-I179 HydrophobicContact CG2-CD1 3.84Å; I169-I179 HydrophobicContact CG2-CG1 4.38Å; T173-I179 HydrophobicContact CG2-CD1 4.03Å; T173-I179 HydrophobicContact CG2-CG1 3.7Å; D175-I179 WeakPolarHBondContact O-CG1 3.28Å; D175-I179 PolarHBondContact O-N 3.05Å; P176-I179 PolarHBondContact O-N 2.68Å; I179-V182 PolarHBondContact O-N 3.26Å; I179-L183 HydrophobicContact CG2-CD1 3.82Å; I179-L183 HydrophobicContact CG2-CG 4.19Å; I179-L183 VanDerWaalsContact O-CB 3.24Å; I179-L183 WeakPolarHBondContact O-CB 3.13Å; I179-L183 WeakPolarHBondContact O-CG 3.16Å; I179-L183 PolarHBondContact O-N 2.98Å |
| 180 | L | 92.8 | Very high | 90 | Very high | 32 Ų | 32 | 65.9 Ų | 65.9 | 17% | 0.168 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.8 | -40.7 | 176.9 | -76.4 | 166.1 | 0 | 0 | 0 | 113.5 | I160 P176 D177 L178 R184 V191 G195 | I160-L180 HydrophobicContact CD1-CD2 3.49Å; I160-L180 VanDerWaalsContact CD1-CD2 3.49Å; P176-L180 WeakPolarHBondContact O-CB 3.32Å; P176-L180 VanDerWaalsContact O-CG 3.3Å; P176-L180 WeakPolarHBondContact O-CG 3.4Å; P176-L180 PolarHBondContact O-N 3.15Å; D177-L180 PolarHBondContact O-N 2.84Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 PolarHBondContact O-N 3Å; L180-R184 WeakPolarHBondContact O-CB 3.36Å; L180-R184 VanDerWaalsContact O-CG 3.3Å; L180-R184 WeakPolarHBondContact O-CG 3.33Å; L180-R184 PolarHBondContact O-N 3.49Å; L180-V191 HydrophobicContact CD2-CG1 4.24Å; L180-G195 VanDerWaalsContact CD2-O 3.25Å; L180-G195 WeakPolarHBondContact CD2-O 3.35Å |
| 181 | E | 92.6 | Very high | 89.9 | Confident | 100 Ų | 100 | 62.4 Ų | 62.4 | 47% | 0.467 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.5 | -51.7 | 173.9 | -167.1 | -158.9 | 140.5 | 0 | 0 | 110.2 | K126 D177 L178 R184 S185 | K126-E181 WeakPolarHBondContact CE-OE2 3.24Å; K126-E181 IonicContact NZ-OE1 2.61Å; K126-E181 PolarHBondContact NZ-OE1 2.88Å; K126-E181 IonicContact NZ-OE2 2.69Å; K126-E181 PolarHBondContact NZ-OE2 3.33Å; D177-E181 PolarHBondContact O-N 3.08Å; L178-E181 PolarHBondContact O-N 2.89Å; E181-R184 PolarHBondContact O-N 3.49Å; E181-S185 PolarHBondContact O-N 3.49Å |
| 182 | V | 93.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.024 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.3 | -44.4 | -178.3 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | K126 L129 K130 L133 L178 I179 R184 S185 S186 | K126-V182 HydrophobicContact CB-CG2 4.3Å; K126-V182 HydrophobicContact CG-CG2 4.1Å; L129-V182 HydrophobicContact CD2-CB 4.41Å; L129-V182 HydrophobicContact CD2-CG2 4.09Å; L129-V182 HydrophobicContact CG-CG1 4.38Å; K130-V182 VanDerWaalsContact CA-CG1 3.46Å; K130-V182 HydrophobicContact CB-CG1 3.56Å; K130-V182 HydrophobicContact CG-CG1 4.13Å; L133-V182 HydrophobicContact CD1-CB 4.26Å; L133-V182 HydrophobicContact CD1-CG1 3.75Å; L178-V182 WeakPolarHBondContact O-CG2 3.4Å; L178-V182 PolarHBondContact O-N 3.04Å; I179-V182 PolarHBondContact O-N 3.26Å; V182-R184 VanDerWaalsContact C-N 3.3Å; V182-R184 PolarHBondContact O-N 3.35Å; V182-S185 PolarHBondContact O-N 3.22Å; V182-S185 VanDerWaalsContact O-N 3.08Å; V182-S185 PolarHBondContact O-OG 2.87Å; V182-S186 PolarHBondContact O-N 3.08Å; V182-S186 VanDerWaalsContact O-N 3.09Å |
| 183 | L | 91.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.3 | -35 | 174.4 | -76.1 | 177.8 | 0 | 0 | 0 | 112.8 | L133 F137 I160 I179 V189 V191 V198 | L133-L183 HydrophobicContact CB-CD2 4.05Å; L133-L183 HydrophobicContact CD1-CD2 3.98Å; L133-L183 HydrophobicContact CD1-CG 4.04Å; L133-L183 HydrophobicContact CD2-CD2 3.94Å; L133-L183 HydrophobicContact CD2-CG 4.35Å; L133-L183 HydrophobicContact CG-CD2 4.22Å; F137-L183 HydrophobicContact CE2-CD2 4.39Å; I160-L183 HydrophobicContact CD1-CD1 3.85Å; I160-L183 HydrophobicContact CG1-CD1 4.03Å; I160-L183 HydrophobicContact CG2-CD1 4.37Å; I179-L183 HydrophobicContact CG2-CD1 3.82Å; I179-L183 HydrophobicContact CG2-CG 4.19Å; I179-L183 VanDerWaalsContact O-CB 3.24Å; I179-L183 WeakPolarHBondContact O-CB 3.13Å; I179-L183 WeakPolarHBondContact O-CG 3.16Å; I179-L183 PolarHBondContact O-N 2.98Å; L183-V189 HydrophobicContact CD2-CG1 4.47Å; L183-V189 HydrophobicContact CD2-CG2 4.02Å; L183-V189 VanDerWaalsContact O-CG2 3.23Å; L183-V189 WeakPolarHBondContact O-CG2 3.43Å; L183-V191 HydrophobicContact CB-CG2 3.56Å; L183-V198 HydrophobicContact CD1-CB 4.2Å; L183-V198 HydrophobicContact CD1-CG1 4.22Å; L183-V198 HydrophobicContact CD1-CG2 4.24Å; L183-V198 HydrophobicContact CD2-CG2 4.07Å |
| 184 | R | 89.7 | Confident | 89.5 | Confident | 161 Ų | 161 | 70 Ų | 70 | 61% | 0.608 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -74 | -24.7 | 174.2 | -76.5 | 176.4 | 168.7 | 176.8 | -2.5 | 113 | L180 E181 V182 V191 | L180-R184 WeakPolarHBondContact O-CB 3.36Å; L180-R184 VanDerWaalsContact O-CG 3.3Å; L180-R184 WeakPolarHBondContact O-CG 3.33Å; L180-R184 PolarHBondContact O-N 3.49Å; E181-R184 PolarHBondContact O-N 3.49Å; V182-R184 VanDerWaalsContact C-N 3.3Å; V182-R184 PolarHBondContact O-N 3.35Å; R184-V191 HydrophobicContact CG-CB 4.21Å; R184-V191 HydrophobicContact CG-CG1 4.48Å; R184-V191 HydrophobicContact CG-CG2 4.04Å |
| 185 | S | 89.4 | Confident | 89.3 | Confident | 73 Ų | 73 | 65 Ų | 65 | 51% | 0.51 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -79.9 | -25.1 | 175.4 | 80.4 | 0 | 0 | 0 | 0 | 114.1 | E181 V182 | E181-S185 PolarHBondContact O-N 3.49Å; V182-S185 PolarHBondContact O-N 3.22Å; V182-S185 VanDerWaalsContact O-N 3.08Å; V182-S185 PolarHBondContact O-OG 2.87Å |
| 186 | S | 87.4 | Confident | 89.3 | Confident | 10 Ų | 10 | 65.5 Ų | 65.5 | 7% | 0.07 | 33% | 0.331 | C | S | . | . | trans | -78.4 | 129.7 | -178.5 | 172.1 | 0 | 0 | 0 | 0 | 112.4 | E134 V182 M188 | E134-S186 WeakPolarHBondContact CG-OG 3.37Å; E134-S186 VanDerWaalsContact OE1-CB 3.26Å; E134-S186 WeakPolarHBondContact OE1-CB 3.5Å; E134-S186 PolarHBondContact OE1-OG 2.92Å; V182-S186 PolarHBondContact O-N 3.08Å; V182-S186 VanDerWaalsContact O-N 3.09Å; S186-M188 VanDerWaalsContact C-N 3.29Å; S186-M188 PolarHBondContact O-N 2.85Å; S186-M188 PolarHBondContact OG-N 3.5Å | ||
| 187 | P | 80.7 | Confident | 89.5 | Confident | 50 Ų | 50 | 65.4 Ų | 65.4 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -11.6 | 174.9 | 33.9 | -36.2 | 0 | 0 | 0 | 113.6 | S201 | P187-S201 VanDerWaalsContact O-CB 3.28Å; P187-S201 WeakPolarHBondContact O-CB 3.12Å; P187-S201 PolarHBondContact O-OG 3.13Å; P187-S201 VanDerWaalsContact O-OG 3.08Å |
| 188 | M | 77.7 | Confident | 89.5 | Confident | 103 Ų | 103 | 59.5 Ų | 59.5 | 51% | 0.507 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -10.3 | -175.9 | -64.2 | -163.4 | 64.4 | 0 | 0 | 113.4 | E134 S186 S201 | E134-M188 HydrophobicContact CB-SD 4.38Å; E134-M188 HydrophobicContact CG-CB 4.25Å; E134-M188 HydrophobicContact CG-SD 4.37Å; S186-M188 VanDerWaalsContact C-N 3.29Å; S186-M188 PolarHBondContact O-N 2.85Å; S186-M188 PolarHBondContact OG-N 3.5Å; M188-S201 WeakPolarHBondContact O-CB 3.16Å; M188-S201 PolarHBondContact O-N 3.17Å |
| 189 | V | 87.4 | Confident | 89.4 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 167.9 | 177.3 | -68.3 | 0 | 0 | 0 | 0 | 111.3 | F137 L183 V198 R199 | F137-V189 HydrophobicContact CB-CG1 3.8Å; F137-V189 HydrophobicContact CD2-CG1 3.57Å; F137-V189 HydrophobicContact CE2-CG1 4.38Å; F137-V189 HydrophobicContact CG-CG1 3.73Å; L183-V189 HydrophobicContact CD2-CG1 4.47Å; L183-V189 HydrophobicContact CD2-CG2 4.02Å; L183-V189 VanDerWaalsContact O-CG2 3.23Å; L183-V189 WeakPolarHBondContact O-CG2 3.43Å; V189-V198 HydrophobicContact CB-CG2 3.84Å; V189-V198 HydrophobicContact CG1-CG2 4.18Å; V189-V198 HydrophobicContact CG2-CG2 4.43Å; V189-R199 CarbonylContact C-O 3.56Å; V189-R199 VanDerWaalsContact CA-O 3.31Å; V189-R199 WeakPolarHBondContact CA-O 3.21Å |
| 190 | Q | 88.8 | Confident | 89.1 | Confident | 88 Ų | 88 | 61.3 Ų | 61.3 | 41% | 0.411 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 116 | 167.5 | -179.5 | 178.7 | 14.5 | 0 | 0 | 108.4 | V198 R199 | Q190-V198 CarbonylContact O-C 3.58Å; Q190-V198 WeakPolarHBondContact O-CA 3.45Å; Q190-R199 HydrophobicContact CB-CG 4.01Å; Q190-R199 PolarHBondContact N-O 3.06Å; Q190-R199 PolarHBondContact O-N 2.71Å |
| 191 | V | 91.4 | Very high | 88.6 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 144.4 | 169.2 | -175.8 | 0 | 0 | 0 | 0 | 109.2 | I160 L180 L183 R184 V198 | I160-V191 HydrophobicContact CD1-CG1 4.06Å; L180-V191 HydrophobicContact CD2-CG1 4.24Å; L183-V191 HydrophobicContact CB-CG2 3.56Å; R184-V191 HydrophobicContact CG-CB 4.21Å; R184-V191 HydrophobicContact CG-CG1 4.48Å; R184-V191 HydrophobicContact CG-CG2 4.04Å; V191-V198 HydrophobicContact CG2-CG2 4.37Å |
| 192 | D | 90.8 | Very high | 87.4 | Confident | 43 Ų | 43 | 58.9 Ų | 58.9 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | trans | -67.1 | 157 | 172.6 | 178.6 | 47.6 | 0 | 0 | 0 | 112.1 | F157 K194 G195 K197 | F157-D192 HydrophobicContact CE1-CB 4.02Å; D192-K194 PolarHBondContact O-N 3.1Å; D192-K194 WeakPolarHBondContact OD2-CB 3.4Å; D192-K194 WeakPolarHBondContact OD2-CG 3.39Å; D192-K194 PolarHBondContact OD2-N 2.87Å; D192-G195 PolarHBondContact O-N 3.3Å; D192-K197 HydrophobicContact CB-CB 3.9Å; D192-K197 WeakPolarHBondContact CB-O 3.35Å; D192-K197 PolarHBondContact N-O 2.99Å | ||
| 193 | E | 88.6 | Confident | 86.2 | Confident | 184 Ų | 184 | 63.8 Ų | 63.8 | 86% | 0.86 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -35.8 | -179.8 | -64.3 | -176.2 | 176.2 | 0 | 0 | 111.8 | G195 | E193-G195 VanDerWaalsContact C-N 3.35Š|
| 194 | K | 87.5 | Confident | 85.2 | Confident | 142 Ų | 142 | 70 Ų | 70 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.6 | 179.9 | -53.5 | 173.9 | 104 | -65 | 0 | 113.8 | D192 E196 | D192-K194 PolarHBondContact O-N 3.1Å; D192-K194 WeakPolarHBondContact OD2-CB 3.4Å; D192-K194 WeakPolarHBondContact OD2-CG 3.39Å; D192-K194 PolarHBondContact OD2-N 2.87Å; K194-E196 VanDerWaalsContact C-N 3.26Å; K194-E196 HydrophobicContact CB-CG 4.07Å; K194-E196 IonicContact NZ-OE1 3.99Å; K194-E196 PolarHBondContact NZ-OE1 3Å; K194-E196 PolarHBondContact O-N 2.8Å |
| 195 | G | 87.9 | Confident | 84.9 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 13% | 0.134 | 32% | 0.316 | C | S | . | . | S | Bend | trans | 71.6 | 12.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L180 D192 E193 | L180-G195 VanDerWaalsContact CD2-O 3.25Å; L180-G195 WeakPolarHBondContact CD2-O 3.35Å; D192-G195 PolarHBondContact O-N 3.3Å; E193-G195 VanDerWaalsContact C-N 3.35Å |
| 196 | E | 91.9 | Very high | 84.9 | Confident | 108 Ų | 108 | 62.1 Ų | 62.1 | 51% | 0.505 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -88.3 | -21 | -179.3 | -67.8 | 168.9 | -151.7 | 0 | 0 | 113.1 | I160 K194 | I160-E196 PolarHBondContact N-O 3.48Å; K194-E196 VanDerWaalsContact C-N 3.26Å; K194-E196 HydrophobicContact CB-CG 4.07Å; K194-E196 IonicContact NZ-OE1 3.99Å; K194-E196 PolarHBondContact NZ-OE1 3Å; K194-E196 PolarHBondContact O-N 2.8Å |
| 197 | K | 92.5 | Very high | 85 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 31% | 0.309 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 154.6 | -167.2 | -73.3 | -176.8 | 173.3 | -167.7 | 0 | 111.9 | D153 F157 I158 D192 | D153-K197 IonicContact OD2-NZ 3.63Å; D153-K197 PolarHBondContact OD2-NZ 3.23Å; F157-K197 HydrophobicContact CB-CB 4.08Å; F157-K197 HydrophobicContact CB-CD 3.92Å; F157-K197 HydrophobicContact CB-CG 4.44Å; F157-K197 HydrophobicContact CD1-CB 3.87Å; F157-K197 HydrophobicContact CG-CB 4.24Å; F157-K197 HydrophobicContact CG-CD 4.36Å; I158-K197 WeakPolarHBondContact O-CA 3.37Å; D192-K197 HydrophobicContact CB-CB 3.9Å; D192-K197 WeakPolarHBondContact CB-O 3.35Å; D192-K197 PolarHBondContact N-O 2.99Å |
| 198 | V | 92.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 146.2 | 176.7 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | F137 F157 I158 I160 V163 L183 V189 Q190 V191 | F137-V198 HydrophobicContact CE1-CG1 4.21Å; F137-V198 HydrophobicContact CE2-CG1 3.88Å; F137-V198 HydrophobicContact CE2-CG2 4.2Å; F137-V198 HydrophobicContact CZ-CB 4.42Å; F137-V198 HydrophobicContact CZ-CG1 3.39Å; F137-V198 HydrophobicContact CZ-CG2 4.21Å; F157-V198 CarbonylContact C-O 3.6Å; F157-V198 WeakPolarHBondContact CA-O 3.39Å; I158-V198 PolarHBondContact N-O 3.02Å; I158-V198 PolarHBondContact O-N 3.48Å; I160-V198 HydrophobicContact CD1-CB 4.05Å; I160-V198 HydrophobicContact CD1-CG1 4.33Å; I160-V198 HydrophobicContact CG1-CB 3.88Å; I160-V198 HydrophobicContact CG1-CG1 3.62Å; V163-V198 HydrophobicContact CG2-CG1 4.05Å; L183-V198 HydrophobicContact CD1-CB 4.2Å; L183-V198 HydrophobicContact CD1-CG1 4.22Å; L183-V198 HydrophobicContact CD1-CG2 4.24Å; L183-V198 HydrophobicContact CD2-CG2 4.07Å; V189-V198 HydrophobicContact CB-CG2 3.84Å; V189-V198 HydrophobicContact CG1-CG2 4.18Å; V189-V198 HydrophobicContact CG2-CG2 4.43Å; Q190-V198 CarbonylContact O-C 3.58Å; Q190-V198 WeakPolarHBondContact O-CA 3.45Å; V191-V198 HydrophobicContact CG2-CG2 4.37Å |
| 199 | R | 89.1 | Confident | 86.2 | Confident | 51 Ų | 51 | 54.7 Ų | 54.7 | 19% | 0.192 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 161.5 | 172.3 | 65.2 | -177.5 | -177.3 | -169.2 | -4.1 | 111.9 | D155 Q156 F157 V189 Q190 | D155-R199 WeakPolarHBondContact O-CD 3.23Å; D155-R199 PolarHBondContact O-NH1 3.38Å; D155-R199 VanDerWaalsContact O-NH1 3.12Å; Q156-R199 WeakPolarHBondContact O-CB 3.18Å; F157-R199 HydrophobicContact CD1-CB 3.77Å; F157-R199 HydrophobicContact CD1-CG 3.83Å; F157-R199 HydrophobicContact CE1-CB 4.18Å; F157-R199 HydrophobicContact CE1-CG 3.7Å; F157-R199 HydrophobicContact CG-CB 4.06Å; F157-R199 HydrophobicContact CG-CG 4.35Å; F157-R199 HydrophobicContact CZ-CG 4.11Å; V189-R199 CarbonylContact C-O 3.56Å; V189-R199 VanDerWaalsContact CA-O 3.31Å; V189-R199 WeakPolarHBondContact CA-O 3.21Å; Q190-R199 HydrophobicContact CB-CG 4.01Å; Q190-R199 PolarHBondContact N-O 3.06Å; Q190-R199 PolarHBondContact O-N 2.71Å |
| 200 | P | 88.1 | Confident | 86.4 | Confident | 20 Ų | 20 | 58.4 Ų | 58.4 | 13% | 0.13 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 143.4 | 166.1 | -24.1 | 35.1 | 0 | 0 | 0 | 112.1 | F137 L142 M152 H202 | F137-P200 HydrophobicContact CD1-CG 4Å; L142-P200 HydrophobicContact CD1-CB 4.43Å; L142-P200 HydrophobicContact CD1-CG 3.39Å; M152-P200 HydrophobicContact CE-CG 4.42Å; P200-H202 PolarHBondContact O-CE1 3.41Å; P200-H202 PolarHBondContact O-N 2.76Å; P200-H202 VanDerWaalsContact O-N 3.15Å; P200-H202 PolarHBondContact O-ND1 2.97Å |
| 201 | S | 80.8 | Confident | 86.3 | Confident | 32 Ų | 32 | 60 Ų | 60 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | trans | -71 | 105.7 | -179.4 | -177.5 | 0 | 0 | 0 | 0 | 111.5 | P187 M188 K203 | P187-S201 VanDerWaalsContact O-CB 3.28Å; P187-S201 WeakPolarHBondContact O-CB 3.12Å; P187-S201 PolarHBondContact O-OG 3.13Å; P187-S201 VanDerWaalsContact O-OG 3.08Å; M188-S201 WeakPolarHBondContact O-CB 3.16Å; M188-S201 PolarHBondContact O-N 3.17Å; S201-K203 PolarHBondContact O-N 2.71Å | ||
| 202 | H | 68.6 | Low | 86 | Confident | 49 Ų | 49 | 59.1 Ų | 59.1 | 23% | 0.227 | 27% | 0.274 | C | S | . | . | trans | -77.1 | 32.6 | 176.9 | -56.2 | 111.9 | 0 | 0 | 0 | 114 | Q156 P200 I280 | Q156-H202 PolarHBondContact OE1-NE2 2.73Å; P200-H202 PolarHBondContact O-CE1 3.41Å; P200-H202 PolarHBondContact O-N 2.76Å; P200-H202 VanDerWaalsContact O-N 3.15Å; P200-H202 PolarHBondContact O-ND1 2.97Å; H202-I280 HydrophobicContact CB-CD1 4.46Å; H202-I280 HydrophobicContact CB-CG2 4.24Å; H202-I280 WeakPolarHBondContact O-CD1 3.42Å; H202-I280 VanDerWaalsContact O-CG1 3.26Å; H202-I280 WeakPolarHBondContact O-CG1 3.49Å | ||
| 203 | K | 68.1 | Low | 85.6 | Confident | 107 Ų | 107 | 59 Ų | 59 | 47% | 0.465 | 28% | 0.276 | S | S | . | . | trans | -80.9 | 142 | 179.4 | -70.9 | -175 | 179.5 | 179.8 | 0 | 111.9 | S201 C205 D251 | S201-K203 PolarHBondContact O-N 2.71Å; K203-C205 PolarHBondContact O-N 2.61Å; K203-D251 HydrophobicContact CB-CB 4.27Å | ||
| 204 | R | 71 | Confident | 85.2 | Confident | 132 Ų | 132 | 56.3 Ų | 56.3 | 50% | 0.498 | 26% | 0.263 | S | S | . | . | trans | -80.9 | 58.6 | 174.1 | -72.2 | -176.6 | -171 | 81 | 2.8 | 111.6 | I206 D251 A254 I277 I280 | R204-I206 VanDerWaalsContact C-N 3.34Å; R204-I206 PolarHBondContact O-N 2.99Å; R204-D251 HydrophobicContact CB-CB 4.16Å; R204-A254 WeakPolarHBondContact O-CB 3.26Å; R204-I277 HydrophobicContact CB-CG2 3.92Å; R204-I280 HydrophobicContact CG-CD1 3.85Å; R204-I280 HydrophobicContact CG-CG1 3.63Å | ||
| 205 | C | 83.4 | Confident | 85.1 | Confident | 33 Ų | 33 | 56 Ų | 56 | 22% | 0.223 | 27% | 0.273 | C | S | . | . | trans | -77.6 | -9.8 | -175.5 | 55.4 | 0 | 0 | 0 | 0 | 115.3 | K203 F248 | K203-C205 PolarHBondContact O-N 2.61Å; C205-F248 VanDerWaalsContact CB-O 3.32Å; C205-F248 WeakPolarHBondContact CB-O 3.26Å; C205-F248 PolarHBondContact O-N 3.48Å | ||
| 206 | I | 88.6 | Confident | 85 | Confident | 37 Ų | 37 | 55.7 Ų | 55.7 | 19% | 0.19 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 120.8 | -174.1 | -57.8 | 175 | 0 | 0 | 0 | 111.7 | R204 Y245 I246 T247 K278 | R204-I206 VanDerWaalsContact C-N 3.34Å; R204-I206 PolarHBondContact O-N 2.99Å; I206-Y245 HydrophobicContact CG2-CG 4.39Å; I206-I246 CarbonylContact C-O 3.59Å; I206-I246 WeakPolarHBondContact CA-O 3.33Å; I206-T247 HydrophobicContact CG1-CG2 4.24Å; I206-K278 HydrophobicContact CB-CB 3.92Å; I206-K278 HydrophobicContact CB-CD 3.84Å; I206-K278 HydrophobicContact CD1-CD 3.96Å; I206-K278 HydrophobicContact CG1-CD 4.48Å; I206-K278 HydrophobicContact CG2-CB 4.09Å; I206-K278 HydrophobicContact CG2-CD 3.63Å; I206-K278 VanDerWaalsContact O-CB 3.27Å; I206-K278 WeakPolarHBondContact O-CB 3.29Å; I206-K278 PolarHBondContact O-N 2.69Å |
| 207 | V | 90.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 136.2 | 164.4 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | I246 F248 A254 F258 L261 A275 | V207-I246 PolarHBondContact N-O 3.34Å; V207-I246 PolarHBondContact O-N 3.18Å; V207-F248 HydrophobicContact CB-CE2 4.11Å; V207-F248 HydrophobicContact CG2-CD2 4.07Å; V207-F248 HydrophobicContact CG2-CE2 3.66Å; V207-A254 HydrophobicContact CG2-CB 4.06Å; V207-A254 WeakPolarHBondContact CG2-O 3.41Å; V207-F258 HydrophobicContact CG2-CB 4.36Å; V207-L261 HydrophobicContact CG1-CD2 3.97Å; V207-A275 HydrophobicContact CG1-CB 4.49Å |
| 208 | I | 92.1 | Very high | 84.7 | Confident | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.031 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 118.7 | 173.9 | -52.8 | 179.7 | 0 | 0 | 0 | 108.3 | R210 N243 W244 Y245 A275 R276 K278 | I208-R210 HydrophobicContact CG2-CG 4.36Å; I208-N243 HydrophobicContact CG2-CB 3.67Å; I208-N243 VanDerWaalsContact CG2-OD1 3.26Å; I208-N243 WeakPolarHBondContact CG2-OD1 3.38Å; I208-W244 CarbonylContact C-O 3.52Å; I208-W244 WeakPolarHBondContact CA-O 3.17Å; I208-Y245 HydrophobicContact CB-CD1 4.36Å; I208-Y245 HydrophobicContact CD1-CD1 4.43Å; I208-Y245 HydrophobicContact CD1-CE1 4.02Å; I208-Y245 HydrophobicContact CG1-CD1 3.85Å; I208-Y245 HydrophobicContact CG1-CE1 3.93Å; I208-Y245 HydrophobicContact CG2-CD1 4.07Å; I208-Y245 HydrophobicContact CG2-CE1 3.95Å; I208-A275 CarbonylContact O-C 3.58Å; I208-A275 WeakPolarHBondContact O-CA 3.46Å; I208-R276 WeakPolarHBondContact CA-O 3.34Å; I208-R276 HydrophobicContact CB-CG 3.85Å; I208-R276 WeakPolarHBondContact CB-O 3.34Å; I208-R276 HydrophobicContact CD1-CG 4.37Å; I208-R276 HydrophobicContact CG1-CG 4.48Å; I208-R276 HydrophobicContact CG2-CG 4.45Å; I208-R276 PolarHBondContact N-O 2.73Å; I208-R276 PolarHBondContact O-N 3.2Å; I208-K278 HydrophobicContact CD1-CB 3.87Å; I208-K278 HydrophobicContact CD1-CD 4.24Å; I208-K278 HydrophobicContact CD1-CG 3.93Å; I208-K278 HydrophobicContact CG1-CB 3.93Å; I208-K278 HydrophobicContact CG1-CD 4.4Å; I208-K278 HydrophobicContact CG1-CG 4.37Å |
| 209 | L | 91.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 143.4 | 170.9 | -80.9 | -178.6 | 0 | 0 | 0 | 111.2 | I212 V221 L224 F225 N243 W244 I246 L261 I273 A275 | L209-I212 HydrophobicContact CB-CD1 4.14Å; L209-I212 HydrophobicContact CD1-CD1 3.72Å; L209-I212 HydrophobicContact CG-CD1 4.39Å; L209-V221 HydrophobicContact CD1-CG1 4.33Å; L209-L224 HydrophobicContact CD1-CD1 4.28Å; L209-F225 HydrophobicContact CD1-CE2 3.93Å; L209-F225 HydrophobicContact CD1-CZ 3.7Å; L209-F225 HydrophobicContact CG-CZ 4.45Å; L209-N243 CarbonylContact O-C 3.4Å; L209-N243 VanDerWaalsContact O-CA 3.23Å; L209-N243 WeakPolarHBondContact O-CA 3.12Å; L209-W244 HydrophobicContact CB-CB 4.14Å; L209-W244 PolarHBondContact N-O 2.87Å; L209-W244 PolarHBondContact O-N 2.86Å; L209-I246 HydrophobicContact CB-CD1 3.84Å; L209-I246 HydrophobicContact CD1-CD1 3.67Å; L209-I246 HydrophobicContact CG-CD1 3.67Å; L209-L261 HydrophobicContact CD1-CD2 4.23Å; L209-L261 HydrophobicContact CD2-CD2 3.52Å; L209-L261 HydrophobicContact CD2-CG 4.21Å; L209-L261 HydrophobicContact CG-CD2 4.03Å; L209-I273 HydrophobicContact CD2-CG2 3.44Å; L209-I273 VanDerWaalsContact CD2-CG2 3.44Å; L209-A275 HydrophobicContact CD2-CB 3.88Å |
| 210 | R | 90.3 | Very high | 84.5 | Confident | 89 Ų | 89 | 61.6 Ų | 61.6 | 34% | 0.336 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 163.3 | -178.8 | -40.6 | 178 | 126.9 | -156.8 | -12.6 | 109.3 | I208 I212 N243 M274 | I208-R210 HydrophobicContact CG2-CG 4.36Å; R210-I212 PolarHBondContact O-N 2.88Å; R210-N243 WeakPolarHBondContact CG-OD1 3.41Å; R210-N243 PolarHBondContact NE-OD1 3.09Å; R210-N243 PolarHBondContact NH2-OD1 3.31Å; R210-M274 HydrophobicContact CB-CB 4.02Å; R210-M274 VanDerWaalsContact CB-O 3.27Å; R210-M274 WeakPolarHBondContact CB-O 3.22Å; R210-M274 VanDerWaalsContact CG-O 3.25Å; R210-M274 WeakPolarHBondContact CG-O 3.47Å; R210-M274 PolarHBondContact N-O 2.8Å; R210-M274 PolarHBondContact O-N 2.93Å |
| 211 | E | 87.8 | Confident | 84.5 | Confident | 121 Ų | 121 | 60.6 Ų | 60.6 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 65.2 | 13.7 | -170.5 | -41.1 | -46.6 | 136.7 | 0 | 0 | 114.7 | M274 | E211-M274 HydrophobicContact CG-CB 4Å; E211-M274 HydrophobicContact CG-CG 3.9Å |
| 212 | I | 85.3 | Confident | 84.8 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.015 | 31% | 0.307 | C | S | . | . | trans | -99 | 122.6 | 169.4 | -62.2 | -175.9 | 0 | 0 | 0 | 107.8 | L209 R210 T216 V221 L224 F268 I273 | L209-I212 HydrophobicContact CB-CD1 4.14Å; L209-I212 HydrophobicContact CD1-CD1 3.72Å; L209-I212 HydrophobicContact CG-CD1 4.39Å; R210-I212 PolarHBondContact O-N 2.88Å; I212-T216 HydrophobicContact CG2-CG2 4.08Å; I212-T216 WeakPolarHBondContact CG2-OG1 3.5Å; I212-V221 HydrophobicContact CG2-CG2 4.11Å; I212-L224 HydrophobicContact CD1-CD1 3.63Å; I212-F268 HydrophobicContact CG1-CD1 4.09Å; I212-F268 HydrophobicContact CG2-CD1 4.18Å; I212-F268 HydrophobicContact CG2-CE1 3.98Å; I212-I273 HydrophobicContact CD1-CG2 4.36Å; I212-I273 HydrophobicContact CG1-CG2 4.4Å | ||
| 213 | P | 81.5 | Confident | 85.7 | Confident | 42 Ų | 42 | 63.1 Ų | 63.1 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | trans | -69.1 | 151.9 | -177.3 | 26.4 | -30.6 | 0 | 0 | 0 | 112 | T215 T216 | P213-T215 PolarHBondContact O-N 2.94Å; P213-T216 WeakPolarHBondContact CD-OG1 3.42Å; P213-T216 WeakPolarHBondContact CG-OG1 3.49Å; P213-T216 VanDerWaalsContact O-CB 3.23Å; P213-T216 WeakPolarHBondContact O-CB 3.37Å; P213-T216 PolarHBondContact O-N 2.9Å; P213-T216 VanDerWaalsContact O-N 3.07Å; P213-T216 PolarHBondContact O-OG1 2.76Å | ||
| 214 | E | 81.8 | Confident | 86.5 | Confident | 127 Ų | 127 | 59.1 Ų | 59.1 | 59% | 0.593 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -29.1 | 179.1 | -178.4 | 163.1 | 178.6 | 0 | 0 | 113.3 | T216 F238 | E214-T216 PolarHBondContact O-N 2.79Å; E214-T216 VanDerWaalsContact O-N 3.13Å; E214-F238 HydrophobicContact CB-CE1 4.16Å; E214-F238 HydrophobicContact CB-CE2 4.04Å; E214-F238 HydrophobicContact CB-CZ 3.57Å; E214-F238 VanDerWaalsContact CD-CZ 3.46Å; E214-F238 HydrophobicContact CG-CD1 4.21Å; E214-F238 HydrophobicContact CG-CE1 3.48Å; E214-F238 VanDerWaalsContact CG-CE1 3.48Å; E214-F238 HydrophobicContact CG-CE2 4.19Å; E214-F238 HydrophobicContact CG-CZ 3.45Å; E214-F238 VanDerWaalsContact CG-CZ 3.45Å; E214-F238 WeakPolarHBondContact OE1-CE1 3.27Å; E214-F238 WeakPolarHBondContact OE2-CZ 3.34Å |
| 215 | T | 84.1 | Confident | 87.3 | Confident | 135 Ų | 135 | 53.3 Ų | 53.3 | 83% | 0.828 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 2.3 | 174.2 | 60.8 | 0 | 0 | 0 | 0 | 114 | P213 | P213-T215 PolarHBondContact O-N 2.94Š|
| 216 | T | 85.9 | Confident | 87.3 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -78.3 | 125.7 | 175.7 | -49 | 0 | 0 | 0 | 0 | 109.3 | I212 P213 E214 E220 V221 W244 F268 | I212-T216 HydrophobicContact CG2-CG2 4.08Å; I212-T216 WeakPolarHBondContact CG2-OG1 3.5Å; P213-T216 WeakPolarHBondContact CD-OG1 3.42Å; P213-T216 WeakPolarHBondContact CG-OG1 3.49Å; P213-T216 VanDerWaalsContact O-CB 3.23Å; P213-T216 WeakPolarHBondContact O-CB 3.37Å; P213-T216 PolarHBondContact O-N 2.9Å; P213-T216 VanDerWaalsContact O-N 3.07Å; P213-T216 PolarHBondContact O-OG1 2.76Å; E214-T216 PolarHBondContact O-N 2.79Å; E214-T216 VanDerWaalsContact O-N 3.13Å; T216-E220 HydrophobicContact CG2-CB 3.72Å; T216-V221 HydrophobicContact CG2-CG2 3.67Å; T216-W244 WeakPolarHBondContact O-CZ2 3.18Å; T216-F268 HydrophobicContact CG2-CE1 3.69Å; T216-F268 HydrophobicContact CG2-CZ 3.46Å; T216-F268 VanDerWaalsContact CG2-CZ 3.46Å |
| 217 | P | 89.4 | Confident | 87 | Confident | 61 Ų | 61 | 59.2 Ų | 59.2 | 40% | 0.396 | 30% | 0.302 | S | S | . | . | trans | -64.5 | 144.2 | 174.7 | 27.3 | -33.5 | 0 | 0 | 0 | 110.7 | E219 E220 V221 | P217-E219 PolarHBondContact O-N 3.21Å; P217-E220 WeakPolarHBondContact CD-OE1 3.31Å; P217-E220 HydrophobicContact CG-CB 4.07Å; P217-E220 HydrophobicContact CG-CG 3.9Å; P217-E220 WeakPolarHBondContact CG-OE1 3.44Å; P217-E220 PolarHBondContact O-N 3.43Å; P217-V221 PolarHBondContact O-N 2.83Å | ||
| 218 | I | 88.2 | Confident | 86.4 | Confident | 72 Ų | 72 | 69 Ų | 69 | 37% | 0.369 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -52.1 | -27.3 | 175.8 | -173 | 173.5 | 0 | 0 | 0 | 112.6 | V221 K222 C236 W244 | I218-V221 PolarHBondContact O-N 2.58Å; I218-K222 HydrophobicContact CG1-CD 4.18Å; I218-K222 HydrophobicContact CG1-CG 4.39Å; I218-K222 WeakPolarHBondContact O-CB 3.23Å; I218-K222 VanDerWaalsContact O-CG 3.3Å; I218-K222 WeakPolarHBondContact O-CG 3.3Å; I218-K222 PolarHBondContact O-N 2.64Å; I218-C236 HydrophobicContact CD1-CB 4.33Å; I218-C236 WeakPolarHBondContact CD1-O 3.21Å; I218-C236 HydrophobicContact CG1-CB 4.24Å; I218-W244 HydrophobicContact CB-CH2 4.38Å; I218-W244 HydrophobicContact CB-CZ3 4.19Å; I218-W244 HydrophobicContact CG1-CZ3 4.24Å |
| 219 | E | 88.8 | Confident | 85.7 | Confident | 141 Ų | 141 | 73.2 Ų | 73.2 | 66% | 0.659 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68 | -41.4 | 176.9 | -63.1 | -174.9 | -158.3 | 0 | 0 | 113.7 | P217 K222 A223 | P217-E219 PolarHBondContact O-N 3.21Å; E219-K222 PolarHBondContact O-N 2.87Å; E219-A223 WeakPolarHBondContact O-CB 3.47Å; E219-A223 PolarHBondContact O-N 3.11Å |
| 220 | E | 89.4 | Confident | 85.3 | Confident | 80 Ų | 80 | 74 Ų | 74 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.4 | -42.9 | 173.1 | -85 | 179.8 | -121.2 | 0 | 0 | 110.3 | T216 P217 K222 A223 L224 F268 Q269 | T216-E220 HydrophobicContact CG2-CB 3.72Å; P217-E220 WeakPolarHBondContact CD-OE1 3.31Å; P217-E220 HydrophobicContact CG-CB 4.07Å; P217-E220 HydrophobicContact CG-CG 3.9Å; P217-E220 WeakPolarHBondContact CG-OE1 3.44Å; P217-E220 PolarHBondContact O-N 3.43Å; E220-K222 PolarHBondContact O-N 3.44Å; E220-A223 WeakPolarHBondContact O-CA 3.35Å; E220-A223 WeakPolarHBondContact O-CB 3.43Å; E220-A223 PolarHBondContact O-N 2.96Å; E220-A223 VanDerWaalsContact O-N 3.08Å; E220-L224 PolarHBondContact O-N 3.48Å; E220-F268 HydrophobicContact CB-CE2 4.46Å; E220-F268 HydrophobicContact CB-CZ 4.24Å; E220-F268 VanDerWaalsContact OE2-CZ 3.25Å; E220-F268 WeakPolarHBondContact OE2-CZ 3.36Å; E220-Q269 PolarHBondContact OE2-NE2 3.4Å; E220-Q269 VanDerWaalsContact OE2-NE2 3.17Å |
| 221 | V | 87.9 | Confident | 85 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 177.9 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | L209 I212 T216 P217 I218 A223 L224 F225 W244 | L209-V221 HydrophobicContact CD1-CG1 4.33Å; I212-V221 HydrophobicContact CG2-CG2 4.11Å; T216-V221 HydrophobicContact CG2-CG2 3.67Å; P217-V221 PolarHBondContact O-N 2.83Å; I218-V221 PolarHBondContact O-N 2.58Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 3.07Å; V221-L224 WeakPolarHBondContact O-CB 3.45Å; V221-L224 PolarHBondContact O-N 3.13Å; V221-F225 VanDerWaalsContact O-CD2 3.24Å; V221-F225 WeakPolarHBondContact O-CD2 3.37Å; V221-F225 WeakPolarHBondContact O-CE2 3.18Å; V221-W244 HydrophobicContact CB-CD2 4.43Å; V221-W244 HydrophobicContact CB-CE3 4.34Å; V221-W244 HydrophobicContact CB-CZ3 4.48Å; V221-W244 HydrophobicContact CG1-CB 4.43Å; V221-W244 HydrophobicContact CG1-CD2 4.03Å; V221-W244 HydrophobicContact CG1-CE3 4.09Å; V221-W244 HydrophobicContact CG1-CG 4.2Å; V221-W244 HydrophobicContact CG2-CD2 3.93Å; V221-W244 HydrophobicContact CG2-CE3 4.16Å; V221-W244 HydrophobicContact CG2-CH2 3.99Å; V221-W244 HydrophobicContact CG2-CZ2 3.75Å; V221-W244 HydrophobicContact CG2-CZ3 4.19Å |
| 222 | K | 87.8 | Confident | 84.9 | Confident | 86 Ų | 86 | 73.9 Ų | 73.9 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 171.1 | -76.1 | 175.9 | 177.9 | 178.7 | 0 | 111.9 | I218 E219 E220 L224 F225 K226 C236 | I218-K222 HydrophobicContact CG1-CD 4.18Å; I218-K222 HydrophobicContact CG1-CG 4.39Å; I218-K222 WeakPolarHBondContact O-CB 3.23Å; I218-K222 VanDerWaalsContact O-CG 3.3Å; I218-K222 WeakPolarHBondContact O-CG 3.3Å; I218-K222 PolarHBondContact O-N 2.64Å; E219-K222 PolarHBondContact O-N 2.87Å; E220-K222 PolarHBondContact O-N 3.44Å; K222-L224 VanDerWaalsContact C-N 3.25Å; K222-L224 PolarHBondContact O-N 3.34Å; K222-F225 PolarHBondContact O-N 3.43Å; K222-K226 PolarHBondContact O-N 3.05Å; K222-C236 HydrophobicContact CG-CB 4.03Å |
| 223 | A | 87.1 | Confident | 85 | Confident | 48 Ų | 48 | 75.5 Ų | 75.5 | 40% | 0.397 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.7 | -27.5 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | E219 E220 V221 F225 K226 | E219-A223 WeakPolarHBondContact O-CB 3.47Å; E219-A223 PolarHBondContact O-N 3.11Å; E220-A223 WeakPolarHBondContact O-CA 3.35Å; E220-A223 WeakPolarHBondContact O-CB 3.43Å; E220-A223 PolarHBondContact O-N 2.96Å; E220-A223 VanDerWaalsContact O-N 3.08Å; V221-A223 VanDerWaalsContact C-N 3.32Å; V221-A223 PolarHBondContact O-N 3.07Å; A223-F225 PolarHBondContact O-N 2.94Å; A223-K226 HydrophobicContact CB-CD 4.31Å; A223-K226 PolarHBondContact O-N 2.66Å |
| 224 | L | 85.3 | Confident | 85.2 | Confident | 22 Ų | 22 | 78.1 Ų | 78.1 | 12% | 0.115 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -15 | 171.5 | -53.5 | -178.8 | 0 | 0 | 0 | 113.8 | L209 I212 E220 V221 K222 Y260 V265 F268 I273 | L209-L224 HydrophobicContact CD1-CD1 4.28Å; I212-L224 HydrophobicContact CD1-CD1 3.63Å; E220-L224 PolarHBondContact O-N 3.48Å; V221-L224 WeakPolarHBondContact O-CB 3.45Å; V221-L224 PolarHBondContact O-N 3.13Å; K222-L224 VanDerWaalsContact C-N 3.25Å; K222-L224 PolarHBondContact O-N 3.34Å; L224-Y260 WeakPolarHBondContact O-CE1 3.37Å; L224-V265 HydrophobicContact CD2-CG1 4.03Å; L224-F268 HydrophobicContact CD1-CD2 4.26Å; L224-F268 HydrophobicContact CD2-CD2 3.7Å; L224-F268 HydrophobicContact CD2-CE2 4.06Å; L224-I273 HydrophobicContact CD1-CD1 4.3Å |
| 225 | F | 87.1 | Confident | 85.3 | Confident | 11 Ų | 11 | 73.8 Ų | 73.8 | 5% | 0.048 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | 3.6 | 177.2 | -51.8 | -90 | 0 | 0 | 0 | 113 | L209 V221 K222 A223 S227 C230 V233 I246 F248 A257 L261 | L209-F225 HydrophobicContact CD1-CE2 3.93Å; L209-F225 HydrophobicContact CD1-CZ 3.7Å; L209-F225 HydrophobicContact CG-CZ 4.45Å; V221-F225 VanDerWaalsContact O-CD2 3.24Å; V221-F225 WeakPolarHBondContact O-CD2 3.37Å; V221-F225 WeakPolarHBondContact O-CE2 3.18Å; K222-F225 PolarHBondContact O-N 3.43Å; A223-F225 PolarHBondContact O-N 2.94Å; F225-S227 VanDerWaalsContact C-N 3.29Å; F225-S227 PolarHBondContact O-N 3.06Å; F225-C230 HydrophobicContact CB-CB 4.49Å; F225-C230 VanDerWaalsContact O-CB 3.28Å; F225-C230 WeakPolarHBondContact O-CB 3.39Å; F225-V233 HydrophobicContact CB-CG2 3.64Å; F225-V233 HydrophobicContact CD1-CG2 4.22Å; F225-V233 HydrophobicContact CD2-CG2 3.89Å; F225-V233 HydrophobicContact CG-CG2 3.67Å; F225-I246 HydrophobicContact CD2-CG2 4.41Å; F225-I246 HydrophobicContact CE1-CG2 4.26Å; F225-I246 HydrophobicContact CE2-CB 4.38Å; F225-I246 HydrophobicContact CE2-CD1 4.4Å; F225-I246 HydrophobicContact CE2-CG1 3.85Å; F225-I246 HydrophobicContact CE2-CG2 3.92Å; F225-I246 HydrophobicContact CZ-CB 4.07Å; F225-I246 HydrophobicContact CZ-CD1 4.14Å; F225-I246 HydrophobicContact CZ-CG1 3.83Å; F225-I246 HydrophobicContact CZ-CG2 3.8Å; F225-F248 HydrophobicContact CD1-CE1 4.25Å; F225-F248 AromaticContact CD1-CZ 3.64Å; F225-F248 HydrophobicContact CD1-CZ 3.64Å; F225-F248 HydrophobicContact CE1-CE2 4.32Å; F225-F248 AromaticContact CE1-CZ 3.62Å; F225-F248 HydrophobicContact CE1-CZ 3.62Å; F225-F248 HydrophobicContact CG-CZ 4.43Å; F225-F248 HydrophobicContact CZ-CZ 4.42Å; F225-A257 HydrophobicContact CD1-CB 4.23Å; F225-A257 HydrophobicContact CE1-CB 4.28Å; F225-L261 HydrophobicContact CD1-CD1 3.75Å; F225-L261 HydrophobicContact CE1-CD1 3.38Å; F225-L261 HydrophobicContact CE1-CD2 3.56Å; F225-L261 HydrophobicContact CE1-CG 4.11Å; F225-L261 HydrophobicContact CZ-CD1 4.02Å; F225-L261 HydrophobicContact CZ-CD2 3.75Å; F225-L261 HydrophobicContact CZ-CG 4.45Å |
| 226 | K | 83.3 | Confident | 85.5 | Confident | 157 Ų | 157 | 67.7 Ų | 67.7 | 68% | 0.683 | 35% | 0.345 | S | S | * | . | trans | -83.2 | 69.7 | 175.3 | -69.6 | 179.9 | -171.1 | 174.5 | 0 | 110.3 | K222 A223 | K222-K226 PolarHBondContact O-N 3.05Å; A223-K226 HydrophobicContact CB-CD 4.31Å; A223-K226 PolarHBondContact O-N 2.66Å | ||
| 227 | S | 82 | Confident | 85.5 | Confident | 36 Ų | 36 | 72.2 Ų | 72.2 | 25% | 0.252 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -144 | 157.6 | 173.4 | 71.8 | 0 | 0 | 0 | 0 | 111.8 | F225 N229 C230 Y260 | F225-S227 VanDerWaalsContact C-N 3.29Å; F225-S227 PolarHBondContact O-N 3.06Å; S227-N229 PolarHBondContact O-N 2.99Å; S227-C230 PolarHBondContact O-N 2.98Å; S227-Y260 WeakPolarHBondContact CB-OH 3.2Å; S227-Y260 WeakPolarHBondContact OG-CE2 3.3Å; S227-Y260 PolarHBondContact OG-OH 2.93Å; S227-Y260 VanDerWaalsContact OG-OH 3.08Å |
| 228 | E | 79.1 | Confident | 85.4 | Confident | 207 Ų | 207 | 72 Ų | 72 | 97% | 0.967 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -25.4 | -178.3 | -58.4 | -176.1 | 165.2 | 0 | 0 | 113.2 | C230 | E228-C230 VanDerWaalsContact C-N 3.35Š|
| 229 | N | 77.1 | Confident | 85.2 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.7 | 175.5 | -110.9 | 3.2 | 0 | 0 | 0 | 113.5 | S227 Q256 Y260 E264 | S227-N229 PolarHBondContact O-N 2.99Å; N229-Q256 PolarHBondContact O-NE2 2.86Å; N229-Y260 HydrophobicContact CB-CD2 3.83Å; N229-Y260 HydrophobicContact CB-CE2 4.08Å; N229-E264 PolarHBondContact ND2-OE1 3.24Å |
| 230 | C | 81.2 | Confident | 84.4 | Confident | 16 Ų | 16 | 71.9 Ų | 71.9 | 11% | 0.108 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -103.4 | 134.8 | -179.9 | -110.5 | 0 | 0 | 0 | 0 | 112.4 | F225 S227 E228 Y260 | F225-C230 HydrophobicContact CB-CB 4.49Å; F225-C230 VanDerWaalsContact O-CB 3.28Å; F225-C230 WeakPolarHBondContact O-CB 3.39Å; S227-C230 PolarHBondContact O-N 2.98Å; E228-C230 VanDerWaalsContact C-N 3.35Å; C230-Y260 HydrophobicContact CB-CD1 4.48Å; C230-Y260 WeakPolarHBondContact SG-CD1 3.49Å; C230-Y260 VanDerWaalsContact SG-CG 3.58Å |
| 231 | P | 85.8 | Confident | 84 | Confident | 17 Ų | 17 | 72 Ų | 72 | 11% | 0.11 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 159 | 169.3 | 29.1 | -31.2 | 0 | 0 | 0 | 111.4 | V233 F248 D253 Q256 A257 | P231-V233 PolarHBondContact O-N 2.81Å; P231-F248 HydrophobicContact CB-CD1 4.4Å; P231-F248 HydrophobicContact CG-CD1 3.91Å; P231-F248 HydrophobicContact CG-CE1 4.13Å; P231-F248 WeakPolarHBondContact O-CE1 3.43Å; P231-D253 HydrophobicContact CB-CB 3.73Å; P231-D253 HydrophobicContact CG-CB 3.65Å; P231-D253 VanDerWaalsContact CG-O 3.23Å; P231-D253 WeakPolarHBondContact CG-O 3.23Å; P231-Q256 HydrophobicContact CG-CB 4.4Å; P231-A257 HydrophobicContact CG-CB 4.18Å |
| 232 | K | 84.6 | Confident | 83.8 | Confident | 190 Ų | 190 | 75.3 Ų | 75.3 | 83% | 0.826 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -66 | 133.2 | -177.1 | -66.2 | -177.5 | 180 | 179.4 | 0 | 111.8 | F248 | K232-F248 WeakPolarHBondContact O-CD1 3.32Š|
| 233 | V | 88.3 | Confident | 83.9 | Confident | 38 Ų | 38 | 71.6 Ų | 71.6 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 131.8 | 169.8 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | F225 P231 S235 C236 I246 F248 | F225-V233 HydrophobicContact CB-CG2 3.64Å; F225-V233 HydrophobicContact CD1-CG2 4.22Å; F225-V233 HydrophobicContact CD2-CG2 3.89Å; F225-V233 HydrophobicContact CG-CG2 3.67Å; P231-V233 PolarHBondContact O-N 2.81Å; V233-S235 VanDerWaalsContact CG1-O 3.23Å; V233-S235 WeakPolarHBondContact CG1-O 3.42Å; V233-C236 HydrophobicContact CG1-CB 4.18Å; V233-I246 HydrophobicContact CB-CG2 4.21Å; V233-I246 HydrophobicContact CG1-CG2 3.59Å; V233-I246 HydrophobicContact CG2-CG2 3.59Å; V233-F248 HydrophobicContact CG2-CE1 3.67Å; V233-F248 HydrophobicContact CG2-CZ 3.83Å |
| 234 | I | 85.5 | Confident | 84.1 | Confident | 97 Ų | 97 | 69.9 Ų | 69.9 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -60.6 | 172.7 | -58.2 | 178.7 | 0 | 0 | 0 | 109.7 | T247 Q249 | I234-T247 WeakPolarHBondContact CB-O 3.42Å; I234-T247 PolarHBondContact N-O 3.42Å; I234-Q249 HydrophobicContact CD1-CB 4.13Å; I234-Q249 VanDerWaalsContact CD1-OE1 3.31Å |
| 235 | S | 83.8 | Confident | 84.4 | Confident | 36 Ų | 36 | 71.2 Ų | 71.2 | 25% | 0.252 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 150.7 | 178.3 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | V233 E237 I246 T247 | V233-S235 VanDerWaalsContact CG1-O 3.23Å; V233-S235 WeakPolarHBondContact CG1-O 3.42Å; S235-E237 WeakPolarHBondContact CB-OE1 3.4Å; S235-E237 PolarHBondContact OG-OE1 2.85Å; S235-I246 WeakPolarHBondContact O-CA 3.34Å; S235-T247 PolarHBondContact N-O 3.19Å; S235-T247 PolarHBondContact O-N 2.54Å |
| 236 | C | 87 | Confident | 84.5 | Confident | 7 Ų | 7 | 70.7 Ų | 70.7 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 89 | 177.7 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | I218 K222 V233 Y245 | I218-C236 HydrophobicContact CD1-CB 4.33Å; I218-C236 WeakPolarHBondContact CD1-O 3.21Å; I218-C236 HydrophobicContact CG1-CB 4.24Å; K222-C236 HydrophobicContact CG-CB 4.03Å; V233-C236 HydrophobicContact CG1-CB 4.18Å; C236-Y245 CarbonylContact C-O 3.57Å; C236-Y245 WeakPolarHBondContact CA-O 3.14Å |
| 237 | E | 87.1 | Confident | 84.7 | Confident | 101 Ų | 101 | 64.5 Ų | 64.5 | 47% | 0.472 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 138.8 | -175.1 | -70.7 | 145 | -129.9 | 0 | 0 | 110.8 | S235 W244 Y245 | S235-E237 WeakPolarHBondContact CB-OE1 3.4Å; S235-E237 PolarHBondContact OG-OE1 2.85Å; E237-W244 CarbonylContact O-C 3.48Å; E237-W244 WeakPolarHBondContact O-CA 3.35Å; E237-Y245 PolarHBondContact N-O 3.28Å; E237-Y245 PolarHBondContact O-N 3.2Å |
| 238 | F | 87.5 | Confident | 85 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 25% | 0.246 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 123.7 | 166.2 | -177.9 | -105.7 | 0 | 0 | 0 | 110.2 | E214 W244 | E214-F238 HydrophobicContact CB-CE1 4.16Å; E214-F238 HydrophobicContact CB-CE2 4.04Å; E214-F238 HydrophobicContact CB-CZ 3.57Å; E214-F238 VanDerWaalsContact CD-CZ 3.46Å; E214-F238 HydrophobicContact CG-CD1 4.21Å; E214-F238 HydrophobicContact CG-CE1 3.48Å; E214-F238 VanDerWaalsContact CG-CE1 3.48Å; E214-F238 HydrophobicContact CG-CE2 4.19Å; E214-F238 HydrophobicContact CG-CZ 3.45Å; E214-F238 VanDerWaalsContact CG-CZ 3.45Å; E214-F238 WeakPolarHBondContact OE1-CE1 3.27Å; E214-F238 WeakPolarHBondContact OE2-CZ 3.34Å; F238-W244 HydrophobicContact CB-CD2 4.2Å; F238-W244 HydrophobicContact CB-CE3 3.99Å; F238-W244 HydrophobicContact CB-CH2 4.11Å; F238-W244 HydrophobicContact CB-CZ2 4.29Å; F238-W244 HydrophobicContact CB-CZ3 3.95Å; F238-W244 AromaticContact CD2-CD1 3.94Å; F238-W244 AromaticContact CD2-CD2 3.87Å; F238-W244 HydrophobicContact CD2-CD2 3.87Å; F238-W244 AromaticContact CD2-CE2 3.53Å; F238-W244 HydrophobicContact CD2-CG 4.12Å; F238-W244 AromaticContact CD2-CZ2 3.94Å; F238-W244 HydrophobicContact CD2-CZ2 3.94Å; F238-W244 AromaticContact CD2-NE1 3.57Å; F238-W244 AromaticContact CE2-NE1 3.95Å; F238-W244 HydrophobicContact CG-CZ2 4.42Å |
| 239 | A | 84 | Confident | 85.1 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 11% | 0.107 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 148.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N241 S242 N243 Y245 | A239-N241 PolarHBondContact O-N 3.42Å; A239-S242 PolarHBondContact O-N 3.08Å; A239-N243 WeakPolarHBondContact CB-O 3.42Å; A239-N243 PolarHBondContact N-O 3.21Å; A239-Y245 HydrophobicContact CB-CD2 3.9Å; A239-Y245 HydrophobicContact CB-CE1 4.17Å; A239-Y245 HydrophobicContact CB-CE2 3.49Å; A239-Y245 VanDerWaalsContact CB-CE2 3.49Å; A239-Y245 HydrophobicContact CB-CG 4.39Å |
| 240 | H | 71.1 | Confident | 85.2 | Confident | 197 Ų | 197 | 54.6 Ų | 54.6 | 91% | 0.912 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 26 | -173.1 | -60 | 14.7 | 0 | 0 | 0 | 115.9 | ||
| 241 | N | 80.6 | Confident | 85.4 | Confident | 83 Ų | 83 | 56.1 Ų | 56.1 | 44% | 0.444 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.2 | 22.5 | -179.3 | 57.3 | 14 | 0 | 0 | 0 | 111.5 | A239 N243 | A239-N241 PolarHBondContact O-N 3.42Å; N241-N243 PolarHBondContact O-N 2.97Å; N241-N243 PolarHBondContact O-ND2 2.96Å; N241-N243 VanDerWaalsContact OD1-CB 3.23Å; N241-N243 WeakPolarHBondContact OD1-CB 3.37Å; N241-N243 PolarHBondContact OD1-N 3.38Å; N241-N243 PolarHBondContact OD1-ND2 3.48Å |
| 242 | S | 84 | Confident | 85.5 | Confident | 69 Ų | 69 | 59 Ų | 59 | 48% | 0.483 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 36.1 | -174 | -44.9 | 0 | 0 | 0 | 0 | 113.2 | A239 | A239-S242 PolarHBondContact O-N 3.08Š|
| 243 | N | 91.1 | Very high | 85.8 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 137.9 | 169.4 | -61.8 | -128.1 | 0 | 0 | 0 | 108.1 | I208 L209 R210 A239 N241 Y245 | I208-N243 HydrophobicContact CG2-CB 3.67Å; I208-N243 VanDerWaalsContact CG2-OD1 3.26Å; I208-N243 WeakPolarHBondContact CG2-OD1 3.38Å; L209-N243 CarbonylContact O-C 3.4Å; L209-N243 VanDerWaalsContact O-CA 3.23Å; L209-N243 WeakPolarHBondContact O-CA 3.12Å; R210-N243 WeakPolarHBondContact CG-OD1 3.41Å; R210-N243 PolarHBondContact NE-OD1 3.09Å; R210-N243 PolarHBondContact NH2-OD1 3.31Å; A239-N243 WeakPolarHBondContact CB-O 3.42Å; A239-N243 PolarHBondContact N-O 3.21Å; N241-N243 PolarHBondContact O-N 2.97Å; N241-N243 PolarHBondContact O-ND2 2.96Å; N241-N243 VanDerWaalsContact OD1-CB 3.23Å; N241-N243 WeakPolarHBondContact OD1-CB 3.37Å; N241-N243 PolarHBondContact OD1-N 3.38Å; N241-N243 PolarHBondContact OD1-ND2 3.48Å; N243-Y245 HydrophobicContact CB-CE1 4.2Å |
| 244 | W | 90.8 | Very high | 85.8 | Confident | 13 Ų | 13 | 50 Ų | 50 | 5% | 0.049 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 138.9 | 166.6 | -66.8 | 79.2 | 0 | 0 | 0 | 109.2 | I208 L209 T216 I218 V221 E237 F238 I246 | I208-W244 CarbonylContact C-O 3.52Å; I208-W244 WeakPolarHBondContact CA-O 3.17Å; L209-W244 HydrophobicContact CB-CB 4.14Å; L209-W244 PolarHBondContact N-O 2.87Å; L209-W244 PolarHBondContact O-N 2.86Å; T216-W244 WeakPolarHBondContact O-CZ2 3.18Å; I218-W244 HydrophobicContact CB-CH2 4.38Å; I218-W244 HydrophobicContact CB-CZ3 4.19Å; I218-W244 HydrophobicContact CG1-CZ3 4.24Å; V221-W244 HydrophobicContact CB-CD2 4.43Å; V221-W244 HydrophobicContact CB-CE3 4.34Å; V221-W244 HydrophobicContact CB-CZ3 4.48Å; V221-W244 HydrophobicContact CG1-CB 4.43Å; V221-W244 HydrophobicContact CG1-CD2 4.03Å; V221-W244 HydrophobicContact CG1-CE3 4.09Å; V221-W244 HydrophobicContact CG1-CG 4.2Å; V221-W244 HydrophobicContact CG2-CD2 3.93Å; V221-W244 HydrophobicContact CG2-CE3 4.16Å; V221-W244 HydrophobicContact CG2-CH2 3.99Å; V221-W244 HydrophobicContact CG2-CZ2 3.75Å; V221-W244 HydrophobicContact CG2-CZ3 4.19Å; E237-W244 CarbonylContact O-C 3.48Å; E237-W244 WeakPolarHBondContact O-CA 3.35Å; F238-W244 HydrophobicContact CB-CD2 4.2Å; F238-W244 HydrophobicContact CB-CE3 3.99Å; F238-W244 HydrophobicContact CB-CH2 4.11Å; F238-W244 HydrophobicContact CB-CZ2 4.29Å; F238-W244 HydrophobicContact CB-CZ3 3.95Å; F238-W244 AromaticContact CD2-CD1 3.94Å; F238-W244 AromaticContact CD2-CD2 3.87Å; F238-W244 HydrophobicContact CD2-CD2 3.87Å; F238-W244 AromaticContact CD2-CE2 3.53Å; F238-W244 HydrophobicContact CD2-CG 4.12Å; F238-W244 AromaticContact CD2-CZ2 3.94Å; F238-W244 HydrophobicContact CD2-CZ2 3.94Å; F238-W244 AromaticContact CD2-NE1 3.57Å; F238-W244 AromaticContact CE2-NE1 3.95Å; F238-W244 HydrophobicContact CG-CZ2 4.42Å; W244-I246 HydrophobicContact CB-CD1 3.87Å |
| 245 | Y | 90.8 | Very high | 86 | Confident | 49 Ų | 49 | 49.7 Ų | 49.7 | 19% | 0.192 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 121.5 | 172.3 | -64.3 | -21.3 | 0 | 0 | 0 | 109.1 | I206 I208 C236 E237 A239 N243 | I206-Y245 HydrophobicContact CG2-CG 4.39Å; I208-Y245 HydrophobicContact CB-CD1 4.36Å; I208-Y245 HydrophobicContact CD1-CD1 4.43Å; I208-Y245 HydrophobicContact CD1-CE1 4.02Å; I208-Y245 HydrophobicContact CG1-CD1 3.85Å; I208-Y245 HydrophobicContact CG1-CE1 3.93Å; I208-Y245 HydrophobicContact CG2-CD1 4.07Å; I208-Y245 HydrophobicContact CG2-CE1 3.95Å; C236-Y245 CarbonylContact C-O 3.57Å; C236-Y245 WeakPolarHBondContact CA-O 3.14Å; E237-Y245 PolarHBondContact N-O 3.28Å; E237-Y245 PolarHBondContact O-N 3.2Å; A239-Y245 HydrophobicContact CB-CD2 3.9Å; A239-Y245 HydrophobicContact CB-CE1 4.17Å; A239-Y245 HydrophobicContact CB-CE2 3.49Å; A239-Y245 VanDerWaalsContact CB-CE2 3.49Å; A239-Y245 HydrophobicContact CB-CG 4.39Å; N243-Y245 HydrophobicContact CB-CE1 4.2Å |
| 246 | I | 90.5 | Very high | 86.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 115.4 | -175.9 | -56.3 | 91.3 | 0 | 0 | 0 | 107.9 | I206 V207 L209 F225 V233 S235 W244 F248 | I206-I246 CarbonylContact C-O 3.59Å; I206-I246 WeakPolarHBondContact CA-O 3.33Å; V207-I246 PolarHBondContact N-O 3.34Å; V207-I246 PolarHBondContact O-N 3.18Å; L209-I246 HydrophobicContact CB-CD1 3.84Å; L209-I246 HydrophobicContact CD1-CD1 3.67Å; L209-I246 HydrophobicContact CG-CD1 3.67Å; F225-I246 HydrophobicContact CD2-CG2 4.41Å; F225-I246 HydrophobicContact CE1-CG2 4.26Å; F225-I246 HydrophobicContact CE2-CB 4.38Å; F225-I246 HydrophobicContact CE2-CD1 4.4Å; F225-I246 HydrophobicContact CE2-CG1 3.85Å; F225-I246 HydrophobicContact CE2-CG2 3.92Å; F225-I246 HydrophobicContact CZ-CB 4.07Å; F225-I246 HydrophobicContact CZ-CD1 4.14Å; F225-I246 HydrophobicContact CZ-CG1 3.83Å; F225-I246 HydrophobicContact CZ-CG2 3.8Å; V233-I246 HydrophobicContact CB-CG2 4.21Å; V233-I246 HydrophobicContact CG1-CG2 3.59Å; V233-I246 HydrophobicContact CG2-CG2 3.59Å; S235-I246 WeakPolarHBondContact O-CA 3.34Å; W244-I246 HydrophobicContact CB-CD1 3.87Å; I246-F248 HydrophobicContact CB-CE2 4.18Å; I246-F248 HydrophobicContact CG2-CD2 4.49Å; I246-F248 HydrophobicContact CG2-CE2 3.61Å; I246-F248 HydrophobicContact CG2-CZ 3.65Å |
| 247 | T | 87.8 | Confident | 86.6 | Confident | 27 Ų | 27 | 52 Ų | 52 | 17% | 0.166 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 129.1 | -172.7 | -54.1 | 0 | 0 | 0 | 0 | 110.2 | I206 I234 S235 | I206-T247 HydrophobicContact CG1-CG2 4.24Å; I234-T247 WeakPolarHBondContact CB-O 3.42Å; I234-T247 PolarHBondContact N-O 3.42Å; S235-T247 PolarHBondContact N-O 3.19Å; S235-T247 PolarHBondContact O-N 2.54Å |
| 248 | F | 88.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 168.5 | 178.4 | -64.8 | -87.6 | 0 | 0 | 0 | 111.7 | C205 V207 F225 P231 K232 V233 I246 S250 D253 A254 A257 | C205-F248 VanDerWaalsContact CB-O 3.32Å; C205-F248 WeakPolarHBondContact CB-O 3.26Å; C205-F248 PolarHBondContact O-N 3.48Å; V207-F248 HydrophobicContact CB-CE2 4.11Å; V207-F248 HydrophobicContact CG2-CD2 4.07Å; V207-F248 HydrophobicContact CG2-CE2 3.66Å; F225-F248 HydrophobicContact CD1-CE1 4.25Å; F225-F248 AromaticContact CD1-CZ 3.64Å; F225-F248 HydrophobicContact CD1-CZ 3.64Å; F225-F248 HydrophobicContact CE1-CE2 4.32Å; F225-F248 AromaticContact CE1-CZ 3.62Å; F225-F248 HydrophobicContact CE1-CZ 3.62Å; F225-F248 HydrophobicContact CG-CZ 4.43Å; F225-F248 HydrophobicContact CZ-CZ 4.42Å; P231-F248 HydrophobicContact CB-CD1 4.4Å; P231-F248 HydrophobicContact CG-CD1 3.91Å; P231-F248 HydrophobicContact CG-CE1 4.13Å; P231-F248 WeakPolarHBondContact O-CE1 3.43Å; K232-F248 WeakPolarHBondContact O-CD1 3.32Å; V233-F248 HydrophobicContact CG2-CE1 3.67Å; V233-F248 HydrophobicContact CG2-CZ 3.83Å; I246-F248 HydrophobicContact CB-CE2 4.18Å; I246-F248 HydrophobicContact CG2-CD2 4.49Å; I246-F248 HydrophobicContact CG2-CE2 3.61Å; I246-F248 HydrophobicContact CG2-CZ 3.65Å; F248-S250 VanDerWaalsContact C-N 3.29Å; F248-S250 PolarHBondContact O-N 3.02Å; F248-D253 HydrophobicContact CB-CB 3.9Å; F248-D253 HydrophobicContact CG-CB 4.47Å; F248-A254 HydrophobicContact CB-CB 4.33Å; F248-A254 HydrophobicContact CD2-CB 3.97Å; F248-A254 HydrophobicContact CG-CB 4.42Å; F248-A257 HydrophobicContact CD1-CB 4.32Å; F248-A257 HydrophobicContact CD2-CB 4.49Å; F248-A257 HydrophobicContact CE1-CB 3.6Å; F248-A257 HydrophobicContact CE2-CB 3.81Å; F248-A257 HydrophobicContact CZ-CB 3.31Å |
| 249 | Q | 81.1 | Confident | 86.9 | Confident | 108 Ų | 108 | 52.8 Ų | 52.8 | 51% | 0.505 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -66.4 | -28.6 | 179.2 | -169.3 | 70.8 | 33 | 0 | 0 | 113.3 | I234 | I234-Q249 HydrophobicContact CD1-CB 4.13Å; I234-Q249 VanDerWaalsContact CD1-OE1 3.31Å |
| 250 | S | 79 | Confident | 87.2 | Confident | 19 Ų | 19 | 54 Ų | 54 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -145.9 | 163.6 | -173.5 | -174.2 | 0 | 0 | 0 | 0 | 112 | F248 T252 D253 A254 | F248-S250 VanDerWaalsContact C-N 3.29Å; F248-S250 PolarHBondContact O-N 3.02Å; S250-T252 VanDerWaalsContact C-N 3.32Å; S250-T252 WeakPolarHBondContact CB-OG1 3.25Å; S250-T252 PolarHBondContact OG-N 3.29Å; S250-T252 PolarHBondContact OG-OG1 3.48Å; S250-D253 WeakPolarHBondContact CB-OD1 3.36Å; S250-D253 PolarHBondContact O-N 2.84Å; S250-A254 PolarHBondContact O-N 3.42Å |
| 251 | D | 85.1 | Confident | 88.1 | Confident | 47 Ų | 47 | 44.7 Ų | 44.7 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -74.2 | -24 | 171.1 | 70.1 | -74.1 | 0 | 0 | 0 | 112.4 | K203 R204 D253 Q255 | K203-D251 HydrophobicContact CB-CB 4.27Å; R204-D251 HydrophobicContact CB-CB 4.16Å; D251-D253 VanDerWaalsContact C-N 3.28Å; D251-Q255 WeakPolarHBondContact O-CB 3.3Å; D251-Q255 WeakPolarHBondContact O-CG 2.98Å; D251-Q255 PolarHBondContact O-N 3.06Å; D251-Q255 PolarHBondContact O-NE2 3.24Å; D251-Q255 PolarHBondContact OD2-NE2 3.37Å |
| 252 | T | 87.3 | Confident | 88.4 | Confident | 79 Ų | 79 | 45.6 Ų | 45.6 | 49% | 0.485 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.7 | -44.3 | 166 | 46.3 | 0 | 0 | 0 | 0 | 110.9 | S250 Q255 Q256 | S250-T252 VanDerWaalsContact C-N 3.32Å; S250-T252 WeakPolarHBondContact CB-OG1 3.25Å; S250-T252 PolarHBondContact OG-N 3.29Å; S250-T252 PolarHBondContact OG-OG1 3.48Å; T252-Q255 WeakPolarHBondContact O-CB 3.33Å; T252-Q255 PolarHBondContact O-N 3.49Å; T252-Q256 PolarHBondContact O-N 2.86Å |
| 253 | D | 90.8 | Very high | 88.5 | Confident | 39 Ų | 39 | 49.1 Ų | 49.1 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.8 | -45.5 | -172.4 | -60.6 | 17.6 | 0 | 0 | 0 | 109.8 | P231 F248 S250 D251 Q255 Q256 A257 | P231-D253 HydrophobicContact CB-CB 3.73Å; P231-D253 HydrophobicContact CG-CB 3.65Å; P231-D253 VanDerWaalsContact CG-O 3.23Å; P231-D253 WeakPolarHBondContact CG-O 3.23Å; F248-D253 HydrophobicContact CB-CB 3.9Å; F248-D253 HydrophobicContact CG-CB 4.47Å; S250-D253 WeakPolarHBondContact CB-OD1 3.36Å; S250-D253 PolarHBondContact O-N 2.84Å; D251-D253 VanDerWaalsContact C-N 3.28Å; D253-Q255 PolarHBondContact O-N 3.17Å; D253-Q256 PolarHBondContact O-N 3.46Å; D253-Q256 VanDerWaalsContact O-N 3.1Å; D253-A257 WeakPolarHBondContact O-CB 3.36Å; D253-A257 PolarHBondContact O-N 3.32Å |
| 254 | A | 89.6 | Confident | 88 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.2 | -33.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R204 V207 F248 S250 F258 | R204-A254 WeakPolarHBondContact O-CB 3.26Å; V207-A254 HydrophobicContact CG2-CB 4.06Å; V207-A254 WeakPolarHBondContact CG2-O 3.41Å; F248-A254 HydrophobicContact CB-CB 4.33Å; F248-A254 HydrophobicContact CD2-CB 3.97Å; F248-A254 HydrophobicContact CG-CB 4.42Å; S250-A254 PolarHBondContact O-N 3.42Å; A254-F258 WeakPolarHBondContact O-CB 3.26Å; A254-F258 PolarHBondContact O-N 2.86Å |
| 255 | Q | 89.5 | Confident | 87.5 | Confident | 89 Ų | 89 | 54.4 Ų | 54.4 | 42% | 0.416 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.4 | -39.6 | 172.3 | -77.8 | 172 | 77.5 | 0 | 0 | 112.9 | D251 T252 D253 K259 I277 | D251-Q255 WeakPolarHBondContact O-CB 3.3Å; D251-Q255 WeakPolarHBondContact O-CG 2.98Å; D251-Q255 PolarHBondContact O-N 3.06Å; D251-Q255 PolarHBondContact O-NE2 3.24Å; D251-Q255 PolarHBondContact OD2-NE2 3.37Å; T252-Q255 WeakPolarHBondContact O-CB 3.33Å; T252-Q255 PolarHBondContact O-N 3.49Å; D253-Q255 PolarHBondContact O-N 3.17Å; Q255-K259 WeakPolarHBondContact O-CG 3.48Å; Q255-K259 PolarHBondContact O-N 3.01Å; Q255-K259 VanDerWaalsContact O-N 3.08Å; Q255-I277 HydrophobicContact CB-CD1 4.46Å; Q255-I277 HydrophobicContact CG-CD1 3.74Å |
| 256 | Q | 90.8 | Very high | 86.7 | Confident | 92 Ų | 92 | 58.7 Ų | 58.7 | 43% | 0.43 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.5 | -50.2 | 176.5 | -178.8 | 171.8 | -27.1 | 0 | 0 | 111.2 | N229 P231 T252 D253 F258 K259 Y260 | N229-Q256 PolarHBondContact O-NE2 2.86Å; P231-Q256 HydrophobicContact CG-CB 4.4Å; T252-Q256 PolarHBondContact O-N 2.86Å; D253-Q256 PolarHBondContact O-N 3.46Å; D253-Q256 VanDerWaalsContact O-N 3.1Å; Q256-F258 VanDerWaalsContact C-N 3.3Å; Q256-F258 PolarHBondContact O-N 3.29Å; Q256-K259 WeakPolarHBondContact O-CB 3.35Å; Q256-K259 PolarHBondContact O-N 2.9Å; Q256-K259 VanDerWaalsContact O-N 3.15Å; Q256-Y260 PolarHBondContact O-N 3.26Å |
| 257 | A | 91.1 | Very high | 86.4 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.5 | -41 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | F225 P231 F248 D253 K259 Y260 L261 | F225-A257 HydrophobicContact CD1-CB 4.23Å; F225-A257 HydrophobicContact CE1-CB 4.28Å; P231-A257 HydrophobicContact CG-CB 4.18Å; F248-A257 HydrophobicContact CD1-CB 4.32Å; F248-A257 HydrophobicContact CD2-CB 4.49Å; F248-A257 HydrophobicContact CE1-CB 3.6Å; F248-A257 HydrophobicContact CE2-CB 3.81Å; F248-A257 HydrophobicContact CZ-CB 3.31Å; D253-A257 WeakPolarHBondContact O-CB 3.36Å; D253-A257 PolarHBondContact O-N 3.32Å; A257-K259 PolarHBondContact O-N 3.36Å; A257-Y260 PolarHBondContact O-N 3.01Å; A257-L261 WeakPolarHBondContact O-CB 3.24Å; A257-L261 WeakPolarHBondContact O-CD1 3.22Å; A257-L261 PolarHBondContact O-N 3.38Å |
| 258 | F | 91.7 | Very high | 86.2 | Confident | 55 Ų | 55 | 61.8 Ų | 61.8 | 24% | 0.241 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 175.9 | 173.9 | -107.7 | 0 | 0 | 0 | 113.2 | V207 A254 Q256 R262 A275 I277 | V207-F258 HydrophobicContact CG2-CB 4.36Å; A254-F258 WeakPolarHBondContact O-CB 3.26Å; A254-F258 PolarHBondContact O-N 2.86Å; Q256-F258 VanDerWaalsContact C-N 3.3Å; Q256-F258 PolarHBondContact O-N 3.29Å; F258-R262 HydrophobicContact CD2-CG 4.41Å; F258-R262 HydrophobicContact CE1-CG 4.42Å; F258-R262 HydrophobicContact CE2-CG 4.02Å; F258-R262 HydrophobicContact CZ-CG 4.04Å; F258-R262 WeakPolarHBondContact O-CG 3.39Å; F258-R262 PolarHBondContact O-N 3.5Å; F258-A275 HydrophobicContact CD2-CB 3.83Å; F258-A275 HydrophobicContact CE2-CB 3.86Å; F258-I277 HydrophobicContact CB-CD1 3.91Å; F258-I277 HydrophobicContact CB-CG1 3.78Å; F258-I277 HydrophobicContact CD1-CD1 3.89Å; F258-I277 HydrophobicContact CD1-CG1 4Å; F258-I277 HydrophobicContact CD2-CG1 4.03Å; F258-I277 HydrophobicContact CG-CD1 3.94Å; F258-I277 HydrophobicContact CG-CG1 3.65Å |
| 259 | K | 90.4 | Very high | 86 | Confident | 119 Ų | 119 | 67 Ų | 67 | 52% | 0.517 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.2 | -51.7 | 172.6 | -71.6 | 170.2 | -177.3 | 176 | 0 | 111 | Q255 Q256 A257 L261 R262 E263 | Q255-K259 WeakPolarHBondContact O-CG 3.48Å; Q255-K259 PolarHBondContact O-N 3.01Å; Q255-K259 VanDerWaalsContact O-N 3.08Å; Q256-K259 WeakPolarHBondContact O-CB 3.35Å; Q256-K259 PolarHBondContact O-N 2.9Å; Q256-K259 VanDerWaalsContact O-N 3.15Å; A257-K259 PolarHBondContact O-N 3.36Å; K259-L261 VanDerWaalsContact C-N 3.28Å; K259-L261 PolarHBondContact O-N 3.37Å; K259-R262 WeakPolarHBondContact O-CA 3.4Å; K259-R262 WeakPolarHBondContact O-CB 3.5Å; K259-R262 PolarHBondContact O-N 2.77Å; K259-E263 WeakPolarHBondContact O-CB 3.22Å; K259-E263 PolarHBondContact O-N 2.95Å |
| 260 | Y | 90.8 | Very high | 86 | Confident | 38 Ų | 38 | 65.3 Ų | 65.3 | 15% | 0.149 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -53.5 | -43 | 177.6 | 179 | -92.8 | 0 | 0 | 0 | 112.6 | L224 S227 N229 C230 Q256 A257 R262 E263 E264 V265 | L224-Y260 WeakPolarHBondContact O-CE1 3.37Å; S227-Y260 WeakPolarHBondContact CB-OH 3.2Å; S227-Y260 WeakPolarHBondContact OG-CE2 3.3Å; S227-Y260 PolarHBondContact OG-OH 2.93Å; S227-Y260 VanDerWaalsContact OG-OH 3.08Å; N229-Y260 HydrophobicContact CB-CD2 3.83Å; N229-Y260 HydrophobicContact CB-CE2 4.08Å; C230-Y260 HydrophobicContact CB-CD1 4.48Å; C230-Y260 WeakPolarHBondContact SG-CD1 3.49Å; C230-Y260 VanDerWaalsContact SG-CG 3.58Å; Q256-Y260 PolarHBondContact O-N 3.26Å; A257-Y260 PolarHBondContact O-N 3.01Å; Y260-R262 VanDerWaalsContact C-N 3.29Å; Y260-R262 PolarHBondContact O-N 3.12Å; Y260-E263 PolarHBondContact O-N 3.28Å; Y260-E264 HydrophobicContact CD2-CB 3.78Å; Y260-E264 HydrophobicContact CD2-CG 3.88Å; Y260-E264 WeakPolarHBondContact CD2-OE1 3.38Å; Y260-E264 HydrophobicContact CE2-CB 3.62Å; Y260-E264 HydrophobicContact CE2-CG 3.95Å; Y260-E264 WeakPolarHBondContact CE2-OE1 3.29Å; Y260-E264 VanDerWaalsContact CE2-OE2 3.3Å; Y260-E264 WeakPolarHBondContact CE2-OE2 3.48Å; Y260-E264 HydrophobicContact CG-CB 4.36Å; Y260-E264 WeakPolarHBondContact O-CA 3.49Å; Y260-E264 PolarHBondContact O-N 3.13Å; Y260-V265 HydrophobicContact CD1-CG2 3.56Å; Y260-V265 HydrophobicContact CE1-CG2 3.18Å; Y260-V265 PolarHBondContact O-N 2.72Å; Y260-V265 VanDerWaalsContact O-N 3.07Å |
| 261 | L | 90 | Very high | 86.3 | Confident | 2 Ų | 2 | 70.2 Ų | 70.2 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | I | π-helix | trans | -61.6 | -31.1 | 174.5 | -97.5 | 47.4 | 0 | 0 | 0 | 114.2 | V207 L209 F225 A257 K259 V265 K266 A275 | V207-L261 HydrophobicContact CG1-CD2 3.97Å; L209-L261 HydrophobicContact CD1-CD2 4.23Å; L209-L261 HydrophobicContact CD2-CD2 3.52Å; L209-L261 HydrophobicContact CD2-CG 4.21Å; L209-L261 HydrophobicContact CG-CD2 4.03Å; F225-L261 HydrophobicContact CD1-CD1 3.75Å; F225-L261 HydrophobicContact CE1-CD1 3.38Å; F225-L261 HydrophobicContact CE1-CD2 3.56Å; F225-L261 HydrophobicContact CE1-CG 4.11Å; F225-L261 HydrophobicContact CZ-CD1 4.02Å; F225-L261 HydrophobicContact CZ-CD2 3.75Å; F225-L261 HydrophobicContact CZ-CG 4.45Å; A257-L261 WeakPolarHBondContact O-CB 3.24Å; A257-L261 WeakPolarHBondContact O-CD1 3.22Å; A257-L261 PolarHBondContact O-N 3.38Å; K259-L261 VanDerWaalsContact C-N 3.28Å; K259-L261 PolarHBondContact O-N 3.37Å; L261-V265 HydrophobicContact CD1-CG2 4.05Å; L261-K266 PolarHBondContact O-N 2.73Å; L261-K266 VanDerWaalsContact O-N 3.1Å; L261-A275 HydrophobicContact CB-CB 4.21Å; L261-A275 HydrophobicContact CD2-CB 4.07Å |
| 262 | R | 86.5 | Confident | 86.4 | Confident | 102 Ų | 102 | 72.4 Ų | 72.4 | 39% | 0.385 | 37% | 0.366 | S | S | . | . | I | π-helix | trans | -87.2 | -34.8 | -179.7 | -62.6 | -98.5 | 78.6 | 174.3 | 3.6 | 112.4 | F258 K259 Y260 I273 M274 | F258-R262 HydrophobicContact CD2-CG 4.41Å; F258-R262 HydrophobicContact CE1-CG 4.42Å; F258-R262 HydrophobicContact CE2-CG 4.02Å; F258-R262 HydrophobicContact CZ-CG 4.04Å; F258-R262 WeakPolarHBondContact O-CG 3.39Å; F258-R262 PolarHBondContact O-N 3.5Å; K259-R262 WeakPolarHBondContact O-CA 3.4Å; K259-R262 WeakPolarHBondContact O-CB 3.5Å; K259-R262 PolarHBondContact O-N 2.77Å; Y260-R262 VanDerWaalsContact C-N 3.29Å; Y260-R262 PolarHBondContact O-N 3.12Å; R262-I273 PolarHBondContact NH2-O 3.14Å; R262-M274 PolarHBondContact NH2-SD 3.06Å |
| 263 | E | 86.4 | Confident | 86.5 | Confident | 143 Ų | 143 | 68.8 Ų | 68.8 | 67% | 0.668 | 34% | 0.344 | S | S | * | . | I | π-helix | trans | -97.5 | -46.9 | -169.8 | -68.1 | 171.1 | -147.2 | 0 | 0 | 112.4 | K259 Y260 | K259-E263 WeakPolarHBondContact O-CB 3.22Å; K259-E263 PolarHBondContact O-N 2.95Å; Y260-E263 PolarHBondContact O-N 3.28Å |
| 264 | E | 80.7 | Confident | 86.4 | Confident | 107 Ų | 107 | 71.4 Ų | 71.4 | 50% | 0.5 | 36% | 0.356 | S | S | . | . | I | π-helix | trans | -100.2 | -54.7 | -174.2 | -62.2 | -168 | -126.9 | 0 | 0 | 112.7 | N229 Y260 | N229-E264 PolarHBondContact ND2-OE1 3.24Å; Y260-E264 HydrophobicContact CD2-CB 3.78Å; Y260-E264 HydrophobicContact CD2-CG 3.88Å; Y260-E264 WeakPolarHBondContact CD2-OE1 3.38Å; Y260-E264 HydrophobicContact CE2-CB 3.62Å; Y260-E264 HydrophobicContact CE2-CG 3.95Å; Y260-E264 WeakPolarHBondContact CE2-OE1 3.29Å; Y260-E264 VanDerWaalsContact CE2-OE2 3.3Å; Y260-E264 WeakPolarHBondContact CE2-OE2 3.48Å; Y260-E264 HydrophobicContact CG-CB 4.36Å; Y260-E264 WeakPolarHBondContact O-CA 3.49Å; Y260-E264 PolarHBondContact O-N 3.13Å |
| 265 | V | 78.8 | Confident | 86.5 | Confident | 25 Ų | 25 | 71.9 Ų | 71.9 | 15% | 0.152 | 36% | 0.36 | C | S | . | . | I | π-helix | trans | -67.4 | -61.2 | -177.3 | -168.5 | 0 | 0 | 0 | 0 | 110.5 | L224 Y260 L261 T267 I273 | L224-V265 HydrophobicContact CD2-CG1 4.03Å; Y260-V265 HydrophobicContact CD1-CG2 3.56Å; Y260-V265 HydrophobicContact CE1-CG2 3.18Å; Y260-V265 PolarHBondContact O-N 2.72Å; Y260-V265 VanDerWaalsContact O-N 3.07Å; L261-V265 HydrophobicContact CD1-CG2 4.05Å; V265-T267 PolarHBondContact O-N 2.82Å; V265-I273 HydrophobicContact CB-CD1 4.29Å; V265-I273 HydrophobicContact CG1-CD1 3.46Å; V265-I273 VanDerWaalsContact CG1-CD1 3.46Å |
| 266 | K | 75.6 | Confident | 86.6 | Confident | 138 Ų | 138 | 73 Ų | 73 | 60% | 0.6 | 36% | 0.36 | S | S | * | . | trans | 58.9 | -39.1 | 173.1 | -169.6 | 178.1 | 178.8 | -179.5 | 0 | 117.6 | L261 P272 I273 | L261-K266 PolarHBondContact O-N 2.73Å; L261-K266 VanDerWaalsContact O-N 3.1Å; K266-P272 WeakPolarHBondContact O-CA 3.43Å; K266-I273 PolarHBondContact O-N 3.19Å | ||
| 267 | T | 82.6 | Confident | 86.6 | Confident | 72 Ų | 72 | 71 Ų | 71 | 44% | 0.442 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 137.6 | -179.3 | 47.9 | 0 | 0 | 0 | 0 | 111.3 | V265 K271 | V265-T267 PolarHBondContact O-N 2.82Å; T267-K271 CarbonylContact C-O 3.57Å; T267-K271 WeakPolarHBondContact CA-O 3.43Å; T267-K271 WeakPolarHBondContact CB-O 3.41Å |
| 268 | F | 84.1 | Confident | 86.4 | Confident | 20 Ų | 20 | 73.8 Ų | 73.8 | 9% | 0.088 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 130 | 171.5 | -178.5 | -119 | 0 | 0 | 0 | 109.1 | I212 T216 E220 L224 G270 K271 I273 | I212-F268 HydrophobicContact CG1-CD1 4.09Å; I212-F268 HydrophobicContact CG2-CD1 4.18Å; I212-F268 HydrophobicContact CG2-CE1 3.98Å; T216-F268 HydrophobicContact CG2-CE1 3.69Å; T216-F268 HydrophobicContact CG2-CZ 3.46Å; T216-F268 VanDerWaalsContact CG2-CZ 3.46Å; E220-F268 HydrophobicContact CB-CE2 4.46Å; E220-F268 HydrophobicContact CB-CZ 4.24Å; E220-F268 VanDerWaalsContact OE2-CZ 3.25Å; E220-F268 WeakPolarHBondContact OE2-CZ 3.36Å; L224-F268 HydrophobicContact CD1-CD2 4.26Å; L224-F268 HydrophobicContact CD2-CD2 3.7Å; L224-F268 HydrophobicContact CD2-CE2 4.06Å; F268-G270 PolarHBondContact O-N 2.94Å; F268-K271 PolarHBondContact N-O 3.36Å; F268-K271 PolarHBondContact O-N 3.19Å; F268-I273 HydrophobicContact CB-CD1 3.67Å; F268-I273 HydrophobicContact CB-CG1 3.64Å |
| 269 | Q | 83.2 | Confident | 85.6 | Confident | 114 Ų | 114 | 74.7 Ų | 74.7 | 53% | 0.533 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 37.2 | -177.8 | -58.2 | 175.9 | -2.8 | 0 | 0 | 112.8 | E220 K271 | E220-Q269 PolarHBondContact OE2-NE2 3.4Å; E220-Q269 VanDerWaalsContact OE2-NE2 3.17Å; Q269-K271 VanDerWaalsContact C-N 3.3Å; Q269-K271 PolarHBondContact O-N 2.89Å |
| 270 | G | 81.9 | Confident | 84.6 | Confident | 71 Ų | 71 | 71.3 Ų | 71.3 | 73% | 0.732 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | -6.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | F268 | F268-G270 PolarHBondContact O-N 2.94Š|
| 271 | K | 86.3 | Confident | 82.9 | Confident | 123 Ų | 123 | 75 Ų | 75 | 54% | 0.535 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 141.1 | 179.2 | -61.5 | 175.4 | -175.9 | 170.4 | 0 | 111.2 | T267 F268 Q269 I273 | T267-K271 CarbonylContact C-O 3.57Å; T267-K271 WeakPolarHBondContact CA-O 3.43Å; T267-K271 WeakPolarHBondContact CB-O 3.41Å; F268-K271 PolarHBondContact N-O 3.36Å; F268-K271 PolarHBondContact O-N 3.19Å; Q269-K271 VanDerWaalsContact C-N 3.3Å; Q269-K271 PolarHBondContact O-N 2.89Å; K271-I273 PolarHBondContact O-N 3.37Å |
| 272 | P | 86.6 | Confident | 81.2 | Confident | 92 Ų | 92 | 78.2 Ų | 78.2 | 60% | 0.597 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 131.5 | -179.7 | 28.4 | -34.6 | 0 | 0 | 0 | 112.1 | K266 | K266-P272 WeakPolarHBondContact O-CA 3.43Å |
| 273 | I | 89.4 | Confident | 79.6 | Confident | 4 Ų | 4 | 77.8 Ų | 77.8 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -86 | 129.8 | -178.4 | -46.4 | 175.3 | 0 | 0 | 0 | 110.5 | L209 I212 L224 R262 V265 K266 F268 K271 | L209-I273 HydrophobicContact CD2-CG2 3.44Å; L209-I273 VanDerWaalsContact CD2-CG2 3.44Å; I212-I273 HydrophobicContact CD1-CG2 4.36Å; I212-I273 HydrophobicContact CG1-CG2 4.4Å; L224-I273 HydrophobicContact CD1-CD1 4.3Å; R262-I273 PolarHBondContact NH2-O 3.14Å; V265-I273 HydrophobicContact CB-CD1 4.29Å; V265-I273 HydrophobicContact CG1-CD1 3.46Å; V265-I273 VanDerWaalsContact CG1-CD1 3.46Å; K266-I273 PolarHBondContact O-N 3.19Å; F268-I273 HydrophobicContact CB-CD1 3.67Å; F268-I273 HydrophobicContact CB-CG1 3.64Å; K271-I273 PolarHBondContact O-N 3.37Å |
| 274 | M | 88.4 | Confident | 78 | Confident | 93 Ų | 93 | 72.5 Ų | 72.5 | 46% | 0.458 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 92.6 | 174.9 | -71 | -68.6 | -83.6 | 0 | 0 | 111.3 | R210 E211 R262 | R210-M274 HydrophobicContact CB-CB 4.02Å; R210-M274 VanDerWaalsContact CB-O 3.27Å; R210-M274 WeakPolarHBondContact CB-O 3.22Å; R210-M274 VanDerWaalsContact CG-O 3.25Å; R210-M274 WeakPolarHBondContact CG-O 3.47Å; R210-M274 PolarHBondContact N-O 2.8Å; R210-M274 PolarHBondContact O-N 2.93Å; E211-M274 HydrophobicContact CG-CB 4Å; E211-M274 HydrophobicContact CG-CG 3.9Å; R262-M274 PolarHBondContact NH2-SD 3.06Å |
| 275 | A | 91.9 | Very high | 76.5 | Confident | 10 Ų | 10 | 69.9 Ų | 69.9 | 8% | 0.083 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 150.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | V207 I208 L209 F258 L261 | V207-A275 HydrophobicContact CG1-CB 4.49Å; I208-A275 CarbonylContact O-C 3.58Å; I208-A275 WeakPolarHBondContact O-CA 3.46Å; L209-A275 HydrophobicContact CD2-CB 3.88Å; F258-A275 HydrophobicContact CD2-CB 3.83Å; F258-A275 HydrophobicContact CE2-CB 3.86Å; L261-A275 HydrophobicContact CB-CB 4.21Å; L261-A275 HydrophobicContact CD2-CB 4.07Å |
| 276 | R | 91.8 | Very high | 75.2 | Confident | 113 Ų | 113 | 73.6 Ų | 73.6 | 43% | 0.426 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 143.3 | 161.9 | 64.2 | -179.1 | -176.8 | 155.7 | 5.1 | 110.7 | I208 | I208-R276 WeakPolarHBondContact CA-O 3.34Å; I208-R276 HydrophobicContact CB-CG 3.85Å; I208-R276 WeakPolarHBondContact CB-O 3.34Å; I208-R276 HydrophobicContact CD1-CG 4.37Å; I208-R276 HydrophobicContact CG1-CG 4.48Å; I208-R276 HydrophobicContact CG2-CG 4.45Å; I208-R276 PolarHBondContact N-O 2.73Å; I208-R276 PolarHBondContact O-N 3.2Å |
| 277 | I | 90.2 | Very high | 74 | Confident | 49 Ų | 49 | 74.5 Ų | 74.5 | 25% | 0.251 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 136 | 170.4 | -56.6 | 178.8 | 0 | 0 | 0 | 108.9 | R204 Q255 F258 | R204-I277 HydrophobicContact CB-CG2 3.92Å; Q255-I277 HydrophobicContact CB-CD1 4.46Å; Q255-I277 HydrophobicContact CG-CD1 3.74Å; F258-I277 HydrophobicContact CB-CD1 3.91Å; F258-I277 HydrophobicContact CB-CG1 3.78Å; F258-I277 HydrophobicContact CD1-CD1 3.89Å; F258-I277 HydrophobicContact CD1-CG1 4Å; F258-I277 HydrophobicContact CD2-CG1 4.03Å; F258-I277 HydrophobicContact CG-CD1 3.94Å; F258-I277 HydrophobicContact CG-CG1 3.65Å |
| 278 | K | 87.1 | Confident | 72.1 | Confident | 59 Ų | 59 | 74.4 Ų | 74.4 | 26% | 0.257 | 42% | 0.422 | S | S | . | . | P | Polyproline II helix | trans | -68.7 | 130.1 | 174.6 | -167 | 165.2 | 177.1 | -177.2 | 0 | 109 | I206 I208 | I206-K278 HydrophobicContact CB-CB 3.92Å; I206-K278 HydrophobicContact CB-CD 3.84Å; I206-K278 HydrophobicContact CD1-CD 3.96Å; I206-K278 HydrophobicContact CG1-CD 4.48Å; I206-K278 HydrophobicContact CG2-CB 4.09Å; I206-K278 HydrophobicContact CG2-CD 3.63Å; I206-K278 VanDerWaalsContact O-CB 3.27Å; I206-K278 WeakPolarHBondContact O-CB 3.29Å; I206-K278 PolarHBondContact O-N 2.69Å; I208-K278 HydrophobicContact CD1-CB 3.87Å; I208-K278 HydrophobicContact CD1-CD 4.24Å; I208-K278 HydrophobicContact CD1-CG 3.93Å; I208-K278 HydrophobicContact CG1-CB 3.93Å; I208-K278 HydrophobicContact CG1-CD 4.4Å; I208-K278 HydrophobicContact CG1-CG 4.37Å |
| 279 | A | 75.1 | Confident | 69.8 | Low | 74 Ų | 74 | 84.4 Ų | 84.4 | 61% | 0.612 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 145.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | N281 | A279-N281 PolarHBondContact O-N 3.36Å; A279-N281 VanDerWaalsContact O-N 3.1Å |
| 280 | I | 69.5 | Low | 67.7 | Low | 49 Ų | 49 | 89.2 Ų | 89.2 | 25% | 0.251 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -59.1 | 117.8 | 165.5 | -55.3 | 141.5 | 0 | 0 | 0 | 105.9 | H202 R204 T282 | H202-I280 HydrophobicContact CB-CD1 4.46Å; H202-I280 HydrophobicContact CB-CG2 4.24Å; H202-I280 WeakPolarHBondContact O-CD1 3.42Å; H202-I280 VanDerWaalsContact O-CG1 3.26Å; H202-I280 WeakPolarHBondContact O-CG1 3.49Å; R204-I280 HydrophobicContact CG-CD1 3.85Å; R204-I280 HydrophobicContact CG-CG1 3.63Å; I280-T282 VanDerWaalsContact C-N 3.35Å; I280-T282 HydrophobicContact CG2-CG2 3.9Å; I280-T282 PolarHBondContact O-N 3.33Å |
| 281 | N | 54.3 | Low | 65.5 | Low | 115 Ų | 115 | 92.8 Ų | 92.8 | 62% | 0.615 | 48% | 0.476 | S | S | * | . | trans | -83.1 | 92.2 | 166.9 | -151.7 | 63.1 | 0 | 0 | 0 | 106 | A279 F283 | A279-N281 PolarHBondContact O-N 3.36Å; A279-N281 VanDerWaalsContact O-N 3.1Å; N281-F283 HydrophobicContact CB-CD2 4.02Å; N281-F283 HydrophobicContact CB-CE2 3.89Å; N281-F283 WeakPolarHBondContact ND2-CD2 3.48Å; N281-F283 WeakPolarHBondContact ND2-CE2 3.28Å; N281-F283 WeakPolarHBondContact ND2-CZ 3.43Å; N281-F283 WeakPolarHBondContact O-CD2 3.42Å; N281-F283 PolarHBondContact O-N 2.95Å | ||
| 282 | T | 54.3 | Low | 63.4 | Low | 69 Ų | 69 | 94.9 Ų | 94.9 | 42% | 0.423 | 49% | 0.49 | S | S | . | . | trans | -65.9 | 82.8 | 172 | 42.3 | 0 | 0 | 0 | 0 | 108.1 | I280 F284 A285 | I280-T282 VanDerWaalsContact C-N 3.35Å; I280-T282 HydrophobicContact CG2-CG2 3.9Å; I280-T282 PolarHBondContact O-N 3.33Å; T282-F284 PolarHBondContact O-N 3.18Å; T282-F284 VanDerWaalsContact O-N 3.14Å; T282-A285 PolarHBondContact O-N 2.85Å; T282-A285 VanDerWaalsContact O-N 3.16Å | ||
| 283 | F | 53.1 | Low | 61 | Low | 93 Ų | 93 | 96.2 Ų | 96.2 | 41% | 0.408 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -32.1 | -173.8 | -101.6 | -89.6 | 0 | 0 | 0 | 112.2 | R139 N281 | R139-F283 HydrophobicContact CG-CD2 4.4Å; R139-F283 HydrophobicContact CG-CE2 4.28Å; N281-F283 HydrophobicContact CB-CD2 4.02Å; N281-F283 HydrophobicContact CB-CE2 3.89Å; N281-F283 WeakPolarHBondContact ND2-CD2 3.48Å; N281-F283 WeakPolarHBondContact ND2-CE2 3.28Å; N281-F283 WeakPolarHBondContact ND2-CZ 3.43Å; N281-F283 WeakPolarHBondContact O-CD2 3.42Å; N281-F283 PolarHBondContact O-N 2.95Å |
| 284 | F | 52.9 | Low | 58.5 | Low | 32 Ų | 32 | 101.7 Ų | 101.7 | 14% | 0.14 | 53% | 0.53 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | 46.6 | -179.2 | -43 | -70.9 | 0 | 0 | 0 | 111.5 | L142 I149 M152 Q156 T282 K286 | L142-F284 HydrophobicContact CB-CE2 3.98Å; L142-F284 HydrophobicContact CB-CZ 3.6Å; L142-F284 HydrophobicContact CD1-CE2 4.26Å; L142-F284 WeakPolarHBondContact O-CE1 3.28Å; L142-F284 WeakPolarHBondContact O-CZ 3.09Å; I149-F284 HydrophobicContact CD1-CE1 4.12Å; I149-F284 HydrophobicContact CG1-CD1 4.24Å; I149-F284 HydrophobicContact CG1-CE1 3.87Å; I149-F284 HydrophobicContact CG2-CD1 4.31Å; M152-F284 HydrophobicContact CE-CB 4.45Å; M152-F284 HydrophobicContact CE-CD2 3.64Å; M152-F284 HydrophobicContact CE-CE2 4.25Å; M152-F284 HydrophobicContact CE-CG 4.12Å; M152-F284 HydrophobicContact SD-CD2 4.06Å; M152-F284 HydrophobicContact SD-CE2 4.48Å; M152-F284 HydrophobicContact SD-CG 4.12Å; Q156-F284 HydrophobicContact CG-CB 4.23Å; Q156-F284 PolarHBondContact NE2-O 3.38Å; T282-F284 PolarHBondContact O-N 3.18Å; T282-F284 VanDerWaalsContact O-N 3.14Å; F284-K286 PolarHBondContact O-N 3.28Å |
| 285 | A | 49 | Very low | 55.9 | Low | 52 Ų | 52 | 102.2 Ų | 102.2 | 43% | 0.43 | 54% | 0.543 | S | S | . | . | trans | -67.5 | 72 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | T282 N287 | T282-A285 PolarHBondContact O-N 2.85Å; T282-A285 VanDerWaalsContact O-N 3.16Å; A285-N287 PolarHBondContact O-N 2.86Å | ||
| 286 | K | 52.7 | Low | 53.1 | Low | 103 Ų | 103 | 109.7 Ų | 109.7 | 45% | 0.448 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -60.1 | 102.4 | 165.2 | -66.8 | 178.7 | -176.7 | 178 | 0 | 106 | I149 M152 F284 | I149-K286 PolarHBondContact O-NZ 3.41Å; M152-K286 PolarHBondContact O-NZ 3.06Å; F284-K286 PolarHBondContact O-N 3.28Å |
| 287 | N | 50.5 | Low | 50.3 | Low | 158 Ų | 158 | 112.9 Ų | 112.9 | 85% | 0.845 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 84.9 | 137.6 | -169.5 | -47.7 | -32 | 0 | 0 | 0 | 115.3 | A285 | A285-N287 PolarHBondContact O-N 2.86Š|
| 288 | G | 41.5 | Very low | 47.4 | Very low | 69 Ų | 69 | 115.9 Ų | 115.9 | 71% | 0.711 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 126.9 | -75.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R290 | G288-R290 PolarHBondContact O-N 3.34Š|
| 289 | Y | 35.9 | Very low | 44.7 | Very low | 231 Ų | 231 | 119.3 Ų | 119.3 | 91% | 0.906 | 64% | 0.636 | S | S | * | * | trans | -103.4 | 62 | -167.4 | -79.4 | -85.2 | 0 | 0 | 0 | 114.4 | ||||
| 290 | R | 39.3 | Very low | 42.8 | Very low | 215 Ų | 215 | 121.4 Ų | 121.4 | 81% | 0.811 | 64% | 0.643 | S | S | * | * | trans | -89.5 | 111.7 | 146.6 | -69.2 | -169.6 | -168.5 | -92.9 | 2.3 | 107.4 | G288 M292 | G288-R290 PolarHBondContact O-N 3.34Å; R290-M292 PolarHBondContact O-N 3.26Å | ||
| 291 | L | 35.5 | Very low | 41 | Very low | 146 Ų | 146 | 126.3 Ų | 126.3 | 76% | 0.764 | 67% | 0.668 | S | S | * | * | trans | -59.9 | 128.7 | 160.4 | -173.3 | 70.3 | 0 | 0 | 0 | 107 | D293 | L291-D293 VanDerWaalsContact CD2-OD2 3.28Å; L291-D293 WeakPolarHBondContact CD2-OD2 3.3Å; L291-D293 WeakPolarHBondContact CG-OD2 3.42Å; L291-D293 PolarHBondContact O-N 2.61Å | ||
| 292 | M | 43.1 | Very low | 40.1 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 82% | 0.823 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -82.1 | 62.8 | -172.1 | -76.6 | -66.4 | 179.1 | 0 | 0 | 112.4 | R290 | R290-M292 PolarHBondContact O-N 3.26Š|
| 293 | D | 35.6 | Very low | 39.2 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 64% | 0.636 | 70% | 0.697 | S | S | * | * | trans | -111 | 81.4 | 170.6 | -75.1 | -59.8 | 0 | 0 | 0 | 109.7 | L291 | L291-D293 VanDerWaalsContact CD2-OD2 3.28Å; L291-D293 WeakPolarHBondContact CD2-OD2 3.3Å; L291-D293 WeakPolarHBondContact CG-OD2 3.42Å; L291-D293 PolarHBondContact O-N 2.61Å | ||
| 294 | S | 37.9 | Very low | 38.2 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 72% | 0.719 | S | S | * | * | trans | -141.6 | 27.5 | 167.9 | -68.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 295 | S | 33.1 | Very low | 37.3 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -100.7 | 62.8 | 167.1 | 57.7 | 0 | 0 | 0 | 0 | 110.3 | Y297 | S295-Y297 PolarHBondContact O-N 2.95Š| ||
| 296 | I | 33.8 | Very low | 36.5 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | -72.7 | 85 | 167.8 | -60.3 | 178.4 | 0 | 0 | 0 | 108.2 | S298 | I296-S298 PolarHBondContact O-N 2.96Š| ||
| 297 | Y | 32 | Very low | 35.6 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | 27.7 | 74 | 151.7 | -136.9 | -68.2 | 0 | 0 | 0 | 116.8 | S295 Q299 | S295-Y297 PolarHBondContact O-N 2.95Å; Y297-Q299 HydrophobicContact CD1-CG 3.96Å; Y297-Q299 VanDerWaalsContact CE1-CD 3.45Å; Y297-Q299 HydrophobicContact CE1-CG 4.24Å; Y297-Q299 PolarHBondContact O-N 3.35Å | ||
| 298 | S | 29.7 | Very low | 34.6 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -67.7 | 95.1 | 160.5 | 56.5 | 0 | 0 | 0 | 0 | 109.3 | I296 | I296-S298 PolarHBondContact O-N 2.96Š| ||
| 299 | Q | 29.8 | Very low | 33.9 | Very low | 132 Ų | 132 | 149.3 Ų | 149.3 | 62% | 0.617 | 79% | 0.785 | S | S | * | * | trans | -56.4 | 127 | 171.6 | -72.6 | -73.6 | 4.8 | 0 | 0 | 109.9 | Y297 I301 | Y297-Q299 HydrophobicContact CD1-CG 3.96Å; Y297-Q299 VanDerWaalsContact CE1-CD 3.45Å; Y297-Q299 HydrophobicContact CE1-CG 4.24Å; Y297-Q299 PolarHBondContact O-N 3.35Å; Q299-I301 PolarHBondContact O-N 2.97Å; Q299-I301 VanDerWaalsContact O-N 3.07Å | ||
| 300 | P | 35.1 | Very low | 34.4 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -72 | 103.2 | 172.5 | 28.8 | -32 | 0 | 0 | 0 | 109.4 | Q302 | P300-Q302 PolarHBondContact O-N 3.41Š| ||
| 301 | I | 31.9 | Very low | 34.1 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -67.5 | 130.9 | 173.8 | -68.8 | 177.8 | 0 | 0 | 0 | 109.4 | Q299 T303 | Q299-I301 PolarHBondContact O-N 2.97Å; Q299-I301 VanDerWaalsContact O-N 3.07Å; I301-T303 PolarHBondContact O-N 3.3Å | ||
| 302 | Q | 35.8 | Very low | 34 | Very low | 181 Ų | 181 | 141.4 Ų | 141.4 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -74.9 | 106.8 | -175.5 | -174.3 | 178.7 | 32.8 | 0 | 0 | 111.4 | P300 | P300-Q302 PolarHBondContact O-N 3.41Š| ||
| 303 | T | 35.1 | Very low | 33.5 | Very low | 131 Ų | 131 | 141.8 Ų | 141.8 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -105.3 | 122.9 | 169 | 41.8 | 0 | 0 | 0 | 0 | 110.9 | I301 | I301-T303 PolarHBondContact O-N 3.3Š| ||
| 304 | Q | 32.2 | Very low | 33.4 | Very low | 188 Ų | 188 | 142.7 Ų | 142.7 | 88% | 0.879 | 78% | 0.78 | S | S | * | * | trans | -80.1 | 130.2 | 170.6 | -67.3 | -177.6 | -0.8 | 0 | 0 | 110.3 | ||||
| 305 | A | 33.7 | Very low | 33.9 | Very low | 101 Ų | 101 | 142.6 Ų | 142.6 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -144.1 | 148 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 306 | Q | 33.3 | Very low | 33.7 | Very low | 159 Ų | 159 | 142.7 Ų | 142.7 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | -89.9 | 147.4 | -171.2 | -62.6 | 167.5 | -19.1 | 0 | 0 | 111.2 | ||||
| 307 | Y | 32.2 | Very low | 33.5 | Very low | 211 Ų | 211 | 145.6 Ų | 145.6 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | 172.1 | 151.3 | 104.9 | -101.4 | -77.6 | 0 | 0 | 0 | 113.7 | |||||
| 308 | A | 29.6 | Very low | 33.4 | Very low | 101 Ų | 101 | 143 Ų | 143 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | 65.4 | 135.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 309 | S | 27 | Very low | 34.8 | Very low | 103 Ų | 103 | 142.1 Ų | 142.1 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | -101.9 | 170.3 | 170.3 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | V311 | S309-V311 PolarHBondContact OG-N 3.03Š| ||
| 310 | P | 47.8 | Very low | 34.9 | Very low | 115 Ų | 115 | 145 Ų | 145 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | -136.8 | 141.8 | 109.4 | 36.5 | -26.9 | 0 | 0 | 0 | 116 | |||||
| 311 | V | 32.6 | Very low | 35 | Very low | 127 Ų | 127 | 146.5 Ų | 146.5 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 42.7 | 94.7 | 139.5 | -168.9 | 0 | 0 | 0 | 0 | 116.6 | S309 | S309-V311 PolarHBondContact OG-N 3.03Š| ||
| 312 | F | 32.1 | Very low | 35.1 | Very low | 183 Ų | 183 | 148.9 Ų | 148.9 | 80% | 0.803 | 78% | 0.782 | S | S | * | * | 69.4 | 104.7 | 71.2 | -146.4 | -68.5 | 0 | 0 | 0 | 115 | |||||
| 313 | M | 34.1 | Very low | 34.8 | Very low | 176 Ų | 176 | 149.1 Ų | 149.1 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | -156.3 | 135.8 | 149.6 | -98.7 | -83.9 | 80 | 0 | 0 | 109.7 | ||||
| 314 | Q | 33 | Very low | 34.6 | Very low | 138 Ų | 138 | 148.5 Ų | 148.5 | 65% | 0.645 | 78% | 0.777 | S | S | * | * | trans | -128 | 179.8 | 172.5 | -115.6 | -167.3 | 7.1 | 0 | 0 | 107 | V316 | Q314-V316 HydrophobicContact CG-CG2 4.17Š| ||
| 315 | P | 47.1 | Very low | 34.5 | Very low | 117 Ų | 117 | 144.2 Ų | 144.2 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | cis | -117.3 | 163.6 | 17.7 | 9.4 | 17.9 | 0 | 0 | 0 | 113.5 | ||||
| 316 | V | 30.4 | Very low | 34.4 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | 67.3 | 110.5 | 62.6 | -173.6 | 0 | 0 | 0 | 0 | 115.3 | Q314 | Q314-V316 HydrophobicContact CG-CG2 4.17Š| |||
| 317 | Y | 29.6 | Very low | 34.1 | Very low | 228 Ų | 228 | 146.6 Ų | 146.6 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | trans | -145.7 | 159 | 136.8 | -151.3 | -99.3 | 0 | 0 | 0 | 110.1 | ||||
| 318 | N | 30.3 | Very low | 34.3 | Very low | 127 Ų | 127 | 144.5 Ų | 144.5 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | trans | -130.7 | -157.8 | -171.8 | -160.5 | 11.7 | 0 | 0 | 0 | 111.4 | ||||
| 319 | P | 57.5 | Low | 34.6 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 60% | 0.597 | 76% | 0.762 | S | S | * | * | -98.9 | 178.6 | -125.1 | 38.7 | -23.4 | 0 | 0 | 0 | 113.6 | |||||
| 320 | H | 31.8 | Very low | 35.6 | Very low | 194 Ų | 194 | 146.4 Ų | 146.4 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | trans | -152.1 | 147.2 | 139.5 | -107 | -73.1 | 0 | 0 | 0 | 112.9 | ||||
| 321 | Q | 38.2 | Very low | 35.1 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | -85.7 | 165 | 174.6 | -51.7 | 163.5 | -12.6 | 0 | 0 | 111 | ||||
| 322 | Q | 33.6 | Very low | 34.9 | Very low | 201 Ų | 201 | 147 Ų | 147 | 94% | 0.939 | 76% | 0.755 | S | S | * | * | trans | -151.3 | 161.8 | 137 | -76.8 | -146 | -47.8 | 0 | 0 | 111.5 | ||||
| 323 | Y | 29.8 | Very low | 35.1 | Very low | 186 Ų | 186 | 148.9 Ų | 148.9 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | trans | -118.4 | 155.2 | -169.1 | -83.4 | -106.2 | 0 | 0 | 0 | 113.4 | V325 | Y323-V325 HydrophobicContact CD1-CG2 4.25Š| ||
| 324 | S | 30.6 | Very low | 35 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 75% | 0.747 | S | S | * | * | trans | 178.5 | 123.7 | 141.9 | -77.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 325 | V | 30.2 | Very low | 35.6 | Very low | 97 Ų | 97 | 144.6 Ų | 144.6 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | cis | 90.6 | 131.8 | 24.1 | -168.3 | 0 | 0 | 0 | 0 | 114 | Y323 | Y323-V325 HydrophobicContact CD1-CG2 4.25Š| ||
| 326 | Y | 31.3 | Very low | 34.9 | Very low | 214 Ų | 214 | 144.7 Ų | 144.7 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | 71.6 | 154.1 | -176.8 | -56.2 | -63.9 | 0 | 0 | 0 | 117.1 | ||||
| 327 | S | 26.6 | Very low | 35.9 | Very low | 97 Ų | 97 | 145.1 Ų | 145.1 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | cis | -176.9 | 157.4 | -38.5 | -104.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 328 | I | 36.8 | Very low | 36.2 | Very low | 166 Ų | 166 | 139 Ų | 139 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | trans | 165.5 | 119.5 | 139.9 | -86.9 | 154 | 0 | 0 | 0 | 110.3 | ||||
| 329 | V | 36.2 | Very low | 37 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 84% | 0.842 | 74% | 0.741 | S | S | * | * | trans | -154.3 | 127.1 | 174 | 167.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 330 | P | 47.9 | Very low | 36 | Very low | 106 Ų | 106 | 143 Ų | 143 | 69% | 0.688 | 75% | 0.75 | S | S | * | * | -143.9 | 177.7 | 93.5 | 38.6 | -20.3 | 0 | 0 | 0 | 112.7 | |||||
| 331 | Q | 36.8 | Very low | 36.1 | Very low | 160 Ų | 160 | 140 Ų | 140 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | cis | -150.7 | -176.9 | 10.6 | -138.2 | 146.6 | -104.7 | 0 | 0 | 107.6 | ||||
| 332 | S | 29.5 | Very low | 35.8 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | cis | -155.3 | 138.3 | 9.7 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 333 | W | 34.8 | Very low | 35.8 | Very low | 223 Ų | 223 | 136.2 Ų | 136.2 | 85% | 0.845 | 73% | 0.726 | S | S | * | * | trans | 39.2 | 95.4 | 132.7 | -64.7 | 71.9 | 0 | 0 | 0 | 120.5 | ||||
| 334 | S | 33.5 | Very low | 36.7 | Very low | 93 Ų | 93 | 132.3 Ų | 132.3 | 65% | 0.65 | 72% | 0.723 | S | S | * | * | trans | -8.8 | 167.7 | 133.6 | 63.1 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 335 | P | 45.3 | Very low | 37 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 85% | 0.851 | 73% | 0.726 | S | S | * | * | -123.4 | 149.2 | 92.9 | 36.7 | -34.1 | 0 | 0 | 0 | 115.9 | |||||
| 336 | N | 31.5 | Very low | 37.2 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | trans | -92 | 167.5 | 164.9 | -151.8 | -10 | 0 | 0 | 0 | 107.7 | T338 | N336-T338 WeakPolarHBondContact ND2-CG2 3.25Å; N336-T338 PolarHBondContact OD1-N 3.36Å | ||
| 337 | P | 52.6 | Low | 37.8 | Very low | 113 Ų | 113 | 129.4 Ų | 129.4 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | -148 | 125.7 | 75.1 | 26.7 | -2.8 | 0 | 0 | 0 | 117 | |||||
| 338 | T | 35.1 | Very low | 38.2 | Very low | 100 Ų | 100 | 134.2 Ų | 134.2 | 61% | 0.613 | 74% | 0.736 | S | S | * | * | 40.3 | 166.6 | 113.3 | 61.7 | 0 | 0 | 0 | 0 | 122.3 | N336 | N336-T338 WeakPolarHBondContact ND2-CG2 3.25Å; N336-T338 PolarHBondContact OD1-N 3.36Å | |||
| 339 | P | 48.4 | Very low | 38.5 | Very low | 102 Ų | 102 | 131.7 Ų | 131.7 | 66% | 0.662 | 73% | 0.731 | S | S | * | * | cis | -136.5 | -174.9 | -17.3 | 26.8 | -3.3 | 0 | 0 | 0 | 114.8 | ||||
| 340 | Y | 34.9 | Very low | 38.3 | Very low | 200 Ų | 200 | 133 Ų | 133 | 78% | 0.784 | 73% | 0.733 | S | S | * | * | trans | 69.1 | 155.7 | 142.4 | -92.7 | -150 | 0 | 0 | 0 | 118.9 | ||||
| 341 | F | 34.1 | Very low | 37.8 | Very low | 132 Ų | 132 | 131.5 Ų | 131.5 | 58% | 0.579 | 74% | 0.736 | S | S | * | * | cis | -142.8 | 122.8 | -2.3 | -157.5 | -138.9 | 0 | 0 | 0 | 107.3 | ||||
| 342 | E | 32.6 | Very low | 37.5 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | 75.2 | 127.7 | 103.8 | -160.1 | 168.9 | -82.9 | 0 | 0 | 117.1 | |||||
| 343 | T | 32.5 | Very low | 37.7 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 76% | 0.761 | 74% | 0.742 | S | S | * | * | trans | -63.3 | -173.3 | 169.4 | 15.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 344 | P | 50.3 | Low | 37.8 | Very low | 104 Ų | 104 | 128.9 Ų | 128.9 | 68% | 0.675 | 74% | 0.74 | S | S | * | * | cis | -138.1 | -159.2 | -5.6 | 25.2 | 2.1 | 0 | 0 | 0 | 114.3 | ||||
| 345 | L | 35.3 | Very low | 37.6 | Very low | 170 Ų | 170 | 131.3 Ų | 131.3 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | trans | 99.4 | 150.5 | 147.7 | -70 | 162.3 | 0 | 0 | 0 | 120.4 | ||||
| 346 | A | 36.2 | Very low | 37 | Very low | 87 Ų | 87 | 128.6 Ų | 128.6 | 72% | 0.719 | 74% | 0.742 | S | S | * | * | trans | -108.1 | -167.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 347 | P | 43.7 | Very low | 37 | Very low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | cis | -135.1 | -167.9 | -0.3 | 38.9 | -17.2 | 0 | 0 | 0 | 115.6 | ||||
| 348 | F | 34.8 | Very low | 35.9 | Very low | 198 Ų | 198 | 133.9 Ų | 133.9 | 87% | 0.868 | 76% | 0.756 | S | S | * | * | trans | -40.1 | 150.8 | 171.5 | -53.7 | -75.4 | 0 | 0 | 0 | 115.2 | ||||
| 349 | P | 42.7 | Very low | 36.2 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | -150.7 | 163.9 | 56.2 | 41.8 | -21.6 | 0 | 0 | 0 | 120.4 | |||||
| 350 | N | 30.9 | Very low | 35.9 | Very low | 168 Ų | 168 | 134.9 Ų | 134.9 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | 31 | 100.9 | 147.5 | -58.7 | -10.5 | 0 | 0 | 0 | 121 | ||||
| 351 | G | 37.5 | Very low | 35.7 | Very low | 73 Ų | 73 | 128.8 Ų | 128.8 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | -160.5 | 129.7 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 352 | S | 31.8 | Very low | 35.7 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | cis | 102.5 | 91.7 | 46.5 | -169 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 353 | F | 33.9 | Very low | 35.8 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | 74.9 | 160.7 | 163.7 | -65.7 | -68.7 | 0 | 0 | 0 | 122.5 | ||||
| 354 | V | 35.9 | Very low | 35.8 | Very low | 132 Ų | 132 | 134.1 Ų | 134.1 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | 58.2 | 91.4 | 162.8 | -70.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 355 | N | 30.4 | Very low | 34.8 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | 40.9 | 115.2 | 112.3 | -169.1 | 35 | 0 | 0 | 0 | 119.2 | |||||
| 356 | G | 31.2 | Very low | 34.4 | Very low | 74 Ų | 74 | 133.7 Ų | 133.7 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | trans | -168.1 | 40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N358 | G356-N358 PolarHBondContact O-N 2.64Š| ||
| 357 | F | 32.1 | Very low | 34 | Very low | 185 Ų | 185 | 133.5 Ų | 133.5 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -80.3 | 99.1 | -178.2 | -135.9 | -79.4 | 0 | 0 | 0 | 112.1 | S359 | F357-S359 WeakPolarHBondContact CE1-OG 3.29Š| ||
| 358 | N | 30.5 | Very low | 33.4 | Very low | 159 Ų | 159 | 132.9 Ų | 132.9 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -134.3 | 107.5 | 162.2 | -103.3 | -42.2 | 0 | 0 | 0 | 108.5 | G356 | G356-N358 PolarHBondContact O-N 2.64Š| ||
| 359 | S | 40.5 | Very low | 33.3 | Very low | 97 Ų | 97 | 128 Ų | 128 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -99.6 | 125.7 | 173.9 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | F357 | F357-S359 WeakPolarHBondContact CE1-OG 3.29Š| ||
| 360 | P | 41.4 | Very low | 32.8 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -129.2 | 136.9 | 146.5 | 35.5 | -24.6 | 0 | 0 | 0 | 110.9 | ||||
| 361 | G | 30.5 | Very low | 32.8 | Very low | 71 Ų | 71 | 130.2 Ų | 130.2 | 73% | 0.732 | 78% | 0.784 | S | S | * | * | trans | 164.9 | 66.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 362 | S | 34.9 | Very low | 32.5 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -75.3 | 130.1 | 171 | -178 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 363 | Y | 33.9 | Very low | 32.5 | Very low | 212 Ų | 212 | 133.8 Ų | 133.8 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | trans | -136.3 | 150.3 | 159.2 | 62.4 | -90.2 | 0 | 0 | 0 | 111.1 | ||||
| 364 | K | 32.3 | Very low | 32.8 | Very low | 180 Ų | 180 | 134.6 Ų | 134.6 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | -113.9 | 176 | 179.8 | -83.6 | -173.1 | 173.3 | -177.7 | 0 | 110.2 | ||||
| 365 | T | 30.2 | Very low | 33.3 | Very low | 122 Ų | 122 | 134.3 Ų | 134.3 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 75.4 | 147.5 | 174.9 | 77.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 366 | N | 27.1 | Very low | 33.2 | Very low | 143 Ų | 143 | 134.4 Ų | 134.4 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | cis | -140.8 | 140.9 | -5.7 | -113.4 | -16.1 | 0 | 0 | 0 | 108.7 | ||||
| 367 | A | 28.2 | Very low | 33.4 | Very low | 84 Ų | 84 | 139.7 Ų | 139.7 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | 59 | 97 | 88.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 368 | A | 31.4 | Very low | 33.4 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | 41.9 | 123.4 | 146.2 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 369 | A | 31.2 | Very low | 33.5 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | trans | -152.1 | 118 | 141.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 370 | M | 33.3 | Very low | 33.1 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | 7.8 | 142.4 | 146.8 | -38.8 | -50 | 166.9 | 0 | 0 | 121.2 | ||||
| 371 | N | 30 | Very low | 32.7 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -149.9 | 126.3 | 138.7 | -126.1 | -72.9 | 0 | 0 | 0 | 112.9 | ||||
| 372 | M | 32.3 | Very low | 33.1 | Very low | 183 Ų | 183 | 149.5 Ų | 149.5 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -124.4 | 146.7 | 161.8 | -66.1 | -164.8 | -172.2 | 0 | 0 | 106.8 | ||||
| 373 | G | 31.5 | Very low | 33.1 | Very low | 64 Ų | 64 | 149 Ų | 149 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | cis | 151.1 | 178.2 | -1.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 374 | R | 39.4 | Very low | 32.8 | Very low | 206 Ų | 206 | 146.7 Ų | 146.7 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | 73.4 | 164.5 | 173.2 | -59.5 | -163.4 | -171.5 | -74 | -3 | 114.8 | ||||
| 375 | P | 47.1 | Very low | 32.7 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | cis | -122.2 | -164.8 | 13.8 | 42.2 | -26.2 | 0 | 0 | 0 | 117.6 | ||||
| 376 | F | 29.3 | Very low | 32.6 | Very low | 146 Ų | 146 | 152.7 Ų | 152.7 | 64% | 0.64 | 79% | 0.787 | S | S | * | * | trans | -91.5 | 156.6 | -157.2 | -67 | -104.4 | 0 | 0 | 0 | 116.2 | ||||
| 377 | Q | 35.3 | Very low | 32.6 | Very low | 185 Ų | 185 | 151 Ų | 151 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | -132.3 | 171.3 | 128 | -86.7 | -58.2 | -12.5 | 0 | 0 | 110.9 | |||||
| 378 | K | 31.4 | Very low | 32.5 | Very low | 160 Ų | 160 | 152.2 Ų | 152.2 | 70% | 0.696 | 79% | 0.79 | S | S | * | * | trans | -121.4 | 163.1 | -160.1 | -59.5 | 175.4 | -178.1 | 173.1 | 0 | 114.8 | ||||
| 379 | N | 31.7 | Very low | 32.2 | Very low | 147 Ų | 147 | 152.8 Ų | 152.8 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | 74.5 | 149.7 | 162.1 | -59.7 | -27.3 | 0 | 0 | 0 | 116.6 | ||||
| 380 | R | 32.8 | Very low | 32 | Very low | 217 Ų | 217 | 151.6 Ų | 151.6 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | cis | -159.7 | 157.1 | -4.6 | -128.6 | -175.2 | 171.7 | 177.4 | -3.5 | 111.7 | ||||
| 381 | V | 32.7 | Very low | 31.8 | Very low | 125 Ų | 125 | 149.2 Ų | 149.2 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | trans | 71.2 | 139.8 | 153.2 | 177.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 382 | K | 38.8 | Very low | 31.7 | Very low | 195 Ų | 195 | 150.7 Ų | 150.7 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | trans | -110.6 | 148.6 | 160.9 | -70.7 | 175.4 | 174.7 | 173.7 | 0 | 108.6 | ||||
| 383 | P | 35.2 | Very low | 31.6 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | -134.4 | 159.3 | 94.7 | 38.9 | -28.1 | 0 | 0 | 0 | 110.9 | |||||
| 384 | H | 28.1 | Very low | 31.4 | Very low | 164 Ų | 164 | 153.4 Ų | 153.4 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | cis | 70.2 | 90 | 39.1 | -149.5 | 96 | 0 | 0 | 0 | 115.1 | ||||
| 385 | F | 29.6 | Very low | 31 | Very low | 203 Ų | 203 | 149.3 Ų | 149.3 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -143.3 | 154.4 | 147 | -105.4 | -75 | 0 | 0 | 0 | 110.4 | ||||
| 386 | R | 27.8 | Very low | 30 | Very low | 225 Ų | 225 | 153 Ų | 153 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | trans | -118.7 | 160.5 | 171.8 | -133.5 | -177.4 | -167.1 | -114.5 | 5.5 | 108.7 | ||||
| 387 | S | 27.3 | Very low | 30 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | -45.1 | 152.9 | 176.2 | -32.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 388 | S | 26.7 | Very low | 29.6 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | -169.3 | 162.8 | 102.8 | -160 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 389 | S | 25.1 | Very low | 29.5 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 9.5 | 140.9 | 148.5 | 56.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 390 | G | 27.4 | Very low | 29.5 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 73% | 0.732 | 81% | 0.808 | S | S | * | * | cis | 139.4 | -175.9 | 4.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 391 | S | 29.2 | Very low | 29.5 | Very low | 114 Ų | 114 | 142 Ų | 142 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | trans | 60.8 | 96.1 | 171.6 | -169.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 392 | E | 28.1 | Very low | 29.3 | Very low | 194 Ų | 194 | 139.2 Ų | 139.2 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | trans | -86.4 | 136.6 | 157.4 | -64.5 | 179.3 | 129.1 | 0 | 0 | 110.1 | ||||
| 393 | H | 30.1 | Very low | 28.8 | Very low | 188 Ų | 188 | 138 Ų | 138 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -136.6 | 114.9 | 158.9 | -106 | -73.5 | 0 | 0 | 0 | 106.9 | ||||
| 394 | S | 27.2 | Very low | 28.5 | Very low | 117 Ų | 117 | 136 Ų | 136 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -104.9 | 155.7 | 179.6 | -159.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 395 | T | 29.5 | Very low | 28.6 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | trans | -71.4 | 153.1 | -173 | 52.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 396 | E | 26.2 | Very low | 28.7 | Very low | 203 Ų | 203 | 133 Ų | 133 | 95% | 0.949 | 80% | 0.804 | S | S | * | * | trans | -174.6 | 145 | 134.9 | -103.6 | 164.8 | -148.2 | 0 | 0 | 108.5 | ||||
| 397 | G | 29.1 | Very low | 28.8 | Very low | 69 Ų | 69 | 127.7 Ų | 127.7 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | 171.3 | 153.7 | -10.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 398 | S | 28.4 | Very low | 29 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 69.6 | 156.7 | 171.6 | -117.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 399 | V | 28.8 | Very low | 29.2 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | cis | -133.5 | 173.5 | 6.7 | -77.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 400 | S | 31.4 | Very low | 29.3 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -97 | 169.2 | -173.7 | -43.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 401 | L | 33.3 | Very low | 29.5 | Very low | 179 Ų | 179 | 133.1 Ų | 133.1 | 94% | 0.937 | 79% | 0.787 | S | S | * | * | trans | -165.2 | 124.1 | 144.4 | -112 | 170.6 | 0 | 0 | 0 | 113.9 | ||||
| 402 | G | 27.8 | Very low | 29.7 | Very low | 66 Ų | 66 | 137.8 Ų | 137.8 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | 67.6 | 159.9 | 159.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 403 | D | 29.8 | Very low | 29.8 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | cis | -163.9 | 145.6 | -27 | -141 | -35.4 | 0 | 0 | 0 | 112.5 | ||||
| 404 | G | 27.9 | Very low | 30.1 | Very low | 67 Ų | 67 | 133.9 Ų | 133.9 | 69% | 0.691 | 78% | 0.778 | S | S | * | * | trans | 56.9 | 177.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 405 | Q | 29.4 | Very low | 31.1 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | cis | -164.1 | 144.9 | -41.8 | -139.8 | -163.2 | 43.1 | 0 | 0 | 110.8 | ||||
| 406 | L | 33.2 | Very low | 31.5 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 71% | 0.707 | 78% | 0.781 | S | S | * | * | trans | 65.7 | 159.7 | 164 | -53 | 179 | 0 | 0 | 0 | 117.1 | ||||
| 407 | N | 29.3 | Very low | 31.9 | Very low | 113 Ų | 113 | 132 Ų | 132 | 60% | 0.604 | 77% | 0.768 | S | S | * | * | cis | -154.4 | 162.8 | -7.4 | -128.1 | -26.7 | 0 | 0 | 0 | 113.2 | ||||
| 408 | R | 31.8 | Very low | 31.9 | Very low | 214 Ų | 214 | 138 Ų | 138 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | trans | 1.3 | 158.8 | 146.6 | -65.4 | 163 | -174.5 | -103.6 | -0.4 | 121.5 | ||||
| 409 | S | 31.1 | Very low | 32.1 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | cis | 177.2 | 158.7 | -14 | -85.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 410 | S | 27.4 | Very low | 32.2 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 68.6 | 162.9 | 150 | -86.1 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 411 | S | 30.4 | Very low | 33.3 | Very low | 87 Ų | 87 | 140 Ų | 140 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | cis | -167.8 | 150.5 | -13.3 | -107.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 412 | R | 33.7 | Very low | 33.3 | Very low | 213 Ų | 213 | 137.4 Ų | 137.4 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | 64.7 | 122.3 | 140.6 | -63.6 | 174.3 | -168.9 | -162.1 | 1.3 | 125 | ||||
| 413 | N | 30.2 | Very low | 33.5 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | 71.6 | 124.1 | 124 | -55.6 | -4.3 | 0 | 0 | 0 | 125.7 | |||||
| 414 | L | 36.1 | Very low | 33.6 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | 22 | 151 | 130.4 | -69.9 | 171.9 | 0 | 0 | 0 | 122.3 | ||||
| 415 | P | 47.8 | Very low | 33.6 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | cis | -144.5 | -130.3 | 47.1 | 42 | -19 | 0 | 0 | 0 | 118.7 | ||||
| 416 | T | 38.7 | Very low | 33.6 | Very low | 135 Ų | 135 | 138.7 Ų | 138.7 | 83% | 0.828 | 75% | 0.747 | S | S | * | * | trans | -134.7 | -169.6 | -137.9 | -39.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 417 | E | 33.3 | Very low | 33.4 | Very low | 142 Ų | 142 | 139.1 Ų | 139.1 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | trans | 93.9 | 150.3 | 171.6 | -107.1 | -174.1 | 118.9 | 0 | 0 | 117 | ||||
| 418 | R | 29.6 | Very low | 33.2 | Very low | 196 Ų | 196 | 139.9 Ų | 139.9 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | cis | -157 | 145.4 | 22.7 | -118.7 | -156.5 | -177.9 | 173.2 | 5.6 | 118.1 | ||||
| 419 | H | 33.3 | Very low | 33.2 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 64 | 169.3 | 134.1 | -81.6 | -128.6 | 0 | 0 | 0 | 125.7 | ||||
| 420 | N | 30.4 | Very low | 32.9 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 77% | 0.765 | 74% | 0.744 | S | S | * | * | trans | -141.5 | 159.6 | -160.9 | -164.2 | 9.2 | 0 | 0 | 0 | 111 | ||||
| 421 | P | 54.3 | Low | 33 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | -161.3 | 147.2 | 108.1 | 39 | -17.9 | 0 | 0 | 0 | 121.2 | |||||
| 422 | T | 33.3 | Very low | 32.9 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 77% | 0.767 | 75% | 0.748 | S | S | * | * | trans | 43.9 | 134.2 | 133.2 | -32.8 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 423 | V | 33 | Very low | 32.5 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | 158.7 | 144.4 | 125.2 | 164 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 424 | T | 32 | Very low | 32.4 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | -34.3 | 168 | -179.3 | 55.4 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 425 | G | 27.3 | Very low | 31.9 | Very low | 62 Ų | 62 | 141 Ų | 141 | 64% | 0.639 | 73% | 0.729 | S | S | * | * | cis | 152.6 | 163 | -3.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 426 | H | 28.5 | Very low | 30.9 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 81% | 0.806 | 73% | 0.73 | S | S | * | * | trans | 63 | 164.8 | 174.3 | -69.6 | -96.2 | 0 | 0 | 0 | 117.2 | ||||
| 427 | Q | 28.9 | Very low | 30.3 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | cis | -161.1 | -176.1 | -38.7 | -117.9 | -179.7 | -49.3 | 0 | 0 | 107 | ||||
| 428 | E | 26.9 | Very low | 30 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | cis | -157.1 | -166.5 | 6.2 | -134.5 | -32.2 | 94 | 0 | 0 | 110.9 | ||||
| 429 | Q | 30 | Very low | 29.9 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 75% | 0.752 | 73% | 0.727 | S | S | * | * | trans | -98.4 | 173.4 | 174.1 | -53 | 175.3 | 6.3 | 0 | 0 | 114 | ||||
| 430 | T | 26.6 | Very low | 29.7 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 69% | 0.693 | 73% | 0.73 | S | S | * | * | trans | 151 | 110.6 | 131.3 | -70 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 431 | Y | 28.1 | Very low | 29.6 | Very low | 209 Ų | 209 | 138.2 Ų | 138.2 | 82% | 0.82 | 73% | 0.734 | S | S | * | * | trans | 61.7 | 163.2 | 147.4 | -76.8 | -127.8 | 0 | 0 | 0 | 120.7 | ||||
| 432 | L | 28.6 | Very low | 28.6 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | cis | -166.9 | 165.2 | -39.3 | -151.6 | 135.3 | 0 | 0 | 0 | 109.6 | ||||
| 433 | Q | 26 | Very low | 28.5 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 71% | 0.71 | 74% | 0.735 | S | S | * | * | trans | 89.6 | 120.7 | 145.7 | -144.5 | 168.5 | 16.7 | 0 | 0 | 122.5 | ||||
| 434 | K | 26.9 | Very low | 28.3 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 67% | 0.665 | 74% | 0.735 | S | S | * | * | trans | 61.4 | 156.2 | 145.8 | -81.6 | -170.5 | 176.4 | -93.4 | 0 | 120.8 | ||||
| 435 | E | 25.7 | Very low | 28.2 | Very low | 131 Ų | 131 | 140.5 Ų | 140.5 | 61% | 0.612 | 74% | 0.735 | S | S | * | * | cis | -168 | 148.6 | -28.8 | -134.3 | 166.4 | -133.4 | 0 | 0 | 109.6 | ||||
| 436 | T | 27.6 | Very low | 28.6 | Very low | 135 Ų | 135 | 144.2 Ų | 144.2 | 83% | 0.828 | 74% | 0.74 | S | S | * | * | trans | 60.5 | 169.7 | 164.8 | 67.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 437 | S | 26.6 | Very low | 28.9 | Very low | 97 Ų | 97 | 146.4 Ų | 146.4 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | cis | -170.6 | 152.6 | -48.3 | -175 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 438 | T | 26.1 | Very low | 29.1 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 74% | 0.742 | 75% | 0.75 | S | S | * | * | trans | 84.8 | 149.5 | 147.4 | 1.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 439 | L | 28 | Very low | 29.4 | Very low | 143 Ų | 143 | 149.5 Ų | 149.5 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 81.8 | 86.5 | 155.3 | -63.3 | 179.5 | 0 | 0 | 0 | 122.8 | ||||
| 440 | Q | 28.8 | Very low | 29.5 | Very low | 175 Ų | 175 | 145.4 Ų | 145.4 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 27.2 | 128 | 106.2 | -175.3 | -175.9 | 8.1 | 0 | 0 | 120.6 | |||||
| 441 | M | 28.2 | Very low | 30 | Very low | 175 Ų | 175 | 151.1 Ų | 151.1 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | trans | -152.7 | 164.2 | 135.1 | -162.8 | 156.9 | -178.7 | 0 | 0 | 112.3 | ||||
| 442 | E | 34.2 | Very low | 30.4 | Very low | 144 Ų | 144 | 152.8 Ų | 152.8 | 67% | 0.673 | 78% | 0.782 | S | S | * | * | trans | -118.6 | 143.7 | -172.3 | 176.4 | -149.7 | 128.7 | 0 | 0 | 111 | ||||
| 443 | Q | 30.3 | Very low | 30.9 | Very low | 175 Ų | 175 | 152.2 Ų | 152.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -170.4 | 170.4 | 139 | -111.8 | 169.4 | 64.5 | 0 | 0 | 115.4 | ||||
| 444 | N | 30 | Very low | 31.5 | Very low | 149 Ų | 149 | 152.2 Ų | 152.2 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -95.4 | 161.9 | -169.2 | -65.1 | -86.1 | 0 | 0 | 0 | 113.7 | ||||
| 445 | G | 29.6 | Very low | 31.9 | Very low | 80 Ų | 80 | 154 Ų | 154 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -170.9 | 119.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 446 | D | 35.1 | Very low | 32.4 | Very low | 139 Ų | 139 | 160 Ų | 160 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -103.2 | 170.4 | 173.6 | 180 | 35.5 | 0 | 0 | 0 | 111.3 | ||||
| 447 | Y | 35.1 | Very low | 32.6 | Very low | 221 Ų | 221 | 156.9 Ų | 156.9 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | trans | 118.3 | 125.9 | 162.6 | -62.2 | -52 | 0 | 0 | 0 | 115.8 | ||||
| 448 | G | 32.5 | Very low | 33.1 | Very low | 79 Ų | 79 | 164.1 Ų | 164.1 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | 169.9 | 60.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 449 | R | 33.4 | Very low | 33.7 | Very low | 259 Ų | 259 | 170.3 Ų | 170.3 | 98% | 0.977 | 83% | 0.83 | S | S | * | * | trans | -57.5 | 144.5 | 178.4 | -60.2 | 175.4 | 175 | -149.3 | -1.7 | 113.9 | ||||
| 450 | G | 31.2 | Very low | 34.7 | Very low | 74 Ų | 74 | 175.4 Ų | 175.4 | 76% | 0.763 | 84% | 0.839 | S | S | * | * | trans | -119.3 | -65 | -176.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 451 | R | 37.2 | Very low | 35.3 | Very low | 234 Ų | 234 | 176.8 Ų | 176.8 | 88% | 0.883 | 84% | 0.837 | S | S | * | * | trans | 45.2 | 110.1 | -180 | -78.1 | -169.2 | 173.8 | -134.6 | 3.7 | 119 | ||||
| 452 | R | 37.9 | Very low | 35.6 | Very low | 243 Ų | 243 | 175 Ų | 175 | 92% | 0.917 | 83% | 0.826 | S | S | * | * | -174 | 160.7 | 102.7 | -106.5 | 165.6 | -69.4 | -179.4 | 2.9 | 114.7 | |||||
| 453 | T | 39.6 | Very low | 35.5 | Very low | 118 Ų | 118 | 175.1 Ų | 175.1 | 72% | 0.724 | 83% | 0.832 | S | S | * | * | trans | -99.9 | 169.8 | 174 | 47.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 454 | L | 36.8 | Very low | 35.9 | Very low | 152 Ų | 152 | 174.8 Ų | 174.8 | 80% | 0.796 | 84% | 0.836 | S | S | * | * | 178.3 | 156.4 | 110.8 | -85.7 | -179.9 | 0 | 0 | 0 | 112.2 | |||||
| 455 | F | 35.4 | Very low | 36.5 | Very low | 190 Ų | 190 | 178.5 Ų | 178.5 | 83% | 0.833 | 84% | 0.838 | S | S | * | * | trans | -62.1 | 154.4 | -168.6 | -51.3 | -103 | 0 | 0 | 0 | 118 | ||||
| 456 | R | 36.2 | Very low | 36.8 | Very low | 257 Ų | 257 | 183.2 Ų | 183.2 | 97% | 0.97 | 84% | 0.843 | S | S | * | * | -156.6 | 163.2 | 113.6 | -117.2 | -176.8 | -175.9 | -158.3 | 1.8 | 111.9 | |||||
| 457 | G | 32.3 | Very low | 36.5 | Very low | 69 Ų | 69 | 181.8 Ų | 181.8 | 71% | 0.711 | 84% | 0.844 | S | S | * | * | trans | -149.4 | 178 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 458 | R | 37.4 | Very low | 36.2 | Very low | 249 Ų | 249 | 182.3 Ų | 182.3 | 94% | 0.94 | 84% | 0.844 | S | S | * | * | trans | 57 | 122.7 | -175.9 | -78.2 | -172.2 | 178 | -108.5 | 5.3 | 116.8 | ||||
| 459 | R | 39.2 | Very low | 36.3 | Very low | 252 Ų | 252 | 183.8 Ų | 183.8 | 95% | 0.951 | 84% | 0.839 | S | S | * | * | -161.7 | 137.8 | 113.6 | -100.7 | 161.2 | -166.6 | -156.5 | 1.5 | 110.3 | |||||
| 460 | R | 48.9 | Very low | 36.1 | Very low | 249 Ų | 249 | 180.3 Ų | 180.3 | 94% | 0.94 | 83% | 0.834 | S | S | * | * | trans | -101.7 | 130.1 | 153.1 | -102.8 | -172.3 | 174.1 | -179.4 | -2.6 | 105.3 | ||||
| 461 | R | 40.6 | Very low | 36.3 | Very low | 204 Ų | 204 | 182.4 Ų | 182.4 | 77% | 0.77 | 83% | 0.834 | S | S | * | * | trans | -168.9 | 130.8 | 157.7 | 172.9 | 142.6 | -70.5 | 150.7 | 2.5 | 109.5 | ||||
| 462 | E | 33.7 | Very low | 35.8 | Very low | 137 Ų | 137 | 176.3 Ų | 176.3 | 64% | 0.64 | 83% | 0.827 | S | S | * | * | trans | 15 | 158.5 | 158.4 | -64.6 | 84 | -92.6 | 0 | 0 | 124.1 | ||||
| 463 | D | 32.8 | Very low | 35.5 | Very low | 147 Ų | 147 | 171.5 Ų | 171.5 | 79% | 0.786 | 83% | 0.825 | S | S | * | * | trans | 78.4 | 94.2 | 155.2 | -70.3 | -52.3 | 0 | 0 | 0 | 122.7 | ||||
| 464 | D | 39.5 | Very low | 35.1 | Very low | 169 Ų | 169 | 170.2 Ų | 170.2 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | trans | -81.1 | 97.7 | 155.5 | -87.7 | -59 | 0 | 0 | 0 | 111.8 | ||||
| 465 | R | 42.3 | Very low | 34.9 | Very low | 226 Ų | 226 | 172.7 Ų | 172.7 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -151.2 | 110.8 | 155.6 | -66.2 | -166.9 | -176.3 | 170.5 | 5.4 | 112.6 | ||||
| 466 | I | 35 | Very low | 35.1 | Very low | 180 Ų | 180 | 169.1 Ų | 169.1 | 92% | 0.923 | 83% | 0.833 | S | S | * | * | trans | 172.5 | 157 | 142.7 | -90.7 | 154.4 | 0 | 0 | 0 | 109.7 | ||||
| 467 | S | 28.9 | Very low | 35 | Very low | 109 Ų | 109 | 167 Ų | 167 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | trans | -100.5 | 142.7 | -158 | -52 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 468 | R | 29.6 | Very low | 35.4 | Very low | 232 Ų | 232 | 167.7 Ų | 167.7 | 88% | 0.875 | 83% | 0.83 | S | S | * | * | trans | 14.2 | 138.6 | 130.6 | 169.6 | -174 | -70.2 | -158.3 | 1 | 117.5 | ||||
| 469 | P | 35.4 | Very low | 35.6 | Very low | 109 Ų | 109 | 162 Ų | 162 | 71% | 0.708 | 83% | 0.825 | S | S | * | * | cis | -141.5 | 170.8 | 33 | 31.5 | -9.4 | 0 | 0 | 0 | 118.7 | ||||
| 470 | H | 27.2 | Very low | 35.7 | Very low | 186 Ų | 186 | 156 Ų | 156 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -158.7 | 176 | 142.4 | -112.5 | -62.4 | 0 | 0 | 0 | 109.4 | ||||
| 471 | P | 36.3 | Very low | 35.6 | Very low | 118 Ų | 118 | 149.2 Ų | 149.2 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | trans | -113.5 | 172.2 | -136.4 | 34.9 | -16.3 | 0 | 0 | 0 | 115.4 | ||||
| 472 | S | 27.5 | Very low | 36.1 | Very low | 106 Ų | 106 | 149.1 Ų | 149.1 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | trans | -95.5 | 133.5 | 177 | 55.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 473 | T | 31.6 | Very low | 37 | Very low | 143 Ų | 143 | 151.3 Ų | 151.3 | 88% | 0.877 | 82% | 0.818 | S | S | * | * | trans | 160.5 | 143.3 | 140.3 | 41 | 0 | 0 | 0 | 0 | 109 | ||||
| 474 | A | 30.4 | Very low | 38.4 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | cis | -168.1 | 143.9 | -20.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 475 | E | 33.8 | Very low | 39.4 | Very low | 203 Ų | 203 | 147.9 Ų | 147.9 | 95% | 0.949 | 80% | 0.799 | S | S | * | * | trans | -162.1 | 161.1 | 151.6 | -124.9 | 175.5 | -157.1 | 0 | 0 | 111.4 | ||||
| 476 | S | 38.7 | Very low | 40.6 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | trans | -97.3 | 143.6 | -161 | 58.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 477 | K | 33.4 | Very low | 41.7 | Very low | 211 Ų | 211 | 137.4 Ų | 137.4 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | trans | -150.5 | 143.1 | 162.3 | -140.1 | 162 | -171.1 | 167.4 | 0 | 111.8 | ||||
| 478 | A | 41.1 | Very low | 43.3 | Very low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 152.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 479 | P | 41.3 | Very low | 45.1 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 139.7 | 177.6 | 28.1 | -35.4 | 0 | 0 | 0 | 111.6 | ||
| 480 | T | 40.8 | Very low | 47 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 143.4 | 171.2 | 42.7 | 0 | 0 | 0 | 0 | 111 | ||
| 481 | P | 48.4 | Very low | 49.1 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 69% | 0.688 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 136.4 | 176.5 | 28.7 | -34.1 | 0 | 0 | 0 | 110.7 | F483 | P481-F483 HydrophobicContact CG-CE2 4.44Å; P481-F483 PolarHBondContact O-N 3.46Å |
| 482 | K | 50.9 | Low | 50.3 | Low | 203 Ų | 203 | 129 Ų | 129 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 117.2 | 169.5 | -66.5 | 179.7 | 178.4 | -177.7 | 0 | 108.8 | D484 | K482-D484 PolarHBondContact O-N 3.36Š|
| 483 | F | 51.1 | Low | 51.7 | Low | 183 Ų | 183 | 130.8 Ų | 130.8 | 80% | 0.803 | 75% | 0.745 | S | S | * | * | trans | -81.3 | 104.1 | 166.4 | -85.8 | -90.5 | 0 | 0 | 0 | 108.8 | P481 | P481-F483 HydrophobicContact CG-CE2 4.44Å; P481-F483 PolarHBondContact O-N 3.46Å | ||
| 484 | D | 62.7 | Low | 52.4 | Low | 101 Ų | 101 | 130.5 Ų | 130.5 | 54% | 0.54 | 75% | 0.746 | S | S | . | * | trans | -89.9 | 104.6 | -179.3 | -147.9 | -15.7 | 0 | 0 | 0 | 109.5 | K482 L486 N489 | K482-D484 PolarHBondContact O-N 3.36Å; D484-L486 PolarHBondContact O-N 3.24Å; D484-N489 PolarHBondContact O-ND2 3.17Å | ||
| 485 | L | 61.2 | Low | 53.5 | Low | 143 Ų | 143 | 129.8 Ų | 129.8 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | trans | -81.8 | 31.3 | -169.7 | -67.6 | 174.7 | 0 | 0 | 0 | 113.6 | ||||
| 486 | L | 67.3 | Low | 53.8 | Low | 96 Ų | 96 | 124.3 Ų | 124.3 | 50% | 0.503 | 73% | 0.731 | S | S | . | * | trans | -65.1 | 139.8 | 173.4 | -61.1 | 177.3 | 0 | 0 | 0 | 110.5 | D484 S488 N489 | D484-L486 PolarHBondContact O-N 3.24Å; L486-S488 PolarHBondContact O-N 3.12Å; L486-N489 PolarHBondContact O-N 3.37Å | ||
| 487 | A | 58.6 | Low | 53.9 | Low | 90 Ų | 90 | 124.7 Ų | 124.7 | 74% | 0.744 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -58.4 | -20 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | N489 | A487-N489 VanDerWaalsContact C-N 3.28Å; A487-N489 PolarHBondContact O-N 3.14Å |
| 488 | S | 61.8 | Low | 54.2 | Low | 100 Ų | 100 | 120 Ų | 120 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -70.5 | -14.5 | 173.9 | 54.5 | 0 | 0 | 0 | 0 | 115 | L486 | L486-S488 PolarHBondContact O-N 3.12Š|
| 489 | N | 67.9 | Low | 53.8 | Low | 109 Ų | 109 | 127.6 Ų | 127.6 | 58% | 0.583 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -89.6 | -0.7 | 179.2 | -77.3 | -28.1 | 0 | 0 | 0 | 113.8 | D484 L486 A487 | D484-N489 PolarHBondContact O-ND2 3.17Å; L486-N489 PolarHBondContact O-N 3.37Å; A487-N489 VanDerWaalsContact C-N 3.28Å; A487-N489 PolarHBondContact O-N 3.14Å |
| 490 | F | 75.6 | Confident | 53.6 | Low | 144 Ų | 144 | 129.8 Ų | 129.8 | 63% | 0.632 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -90.4 | 131.7 | 171 | -72.8 | -88 | 0 | 0 | 0 | 110.5 | ||
| 491 | P | 69.9 | Low | 53.5 | Low | 109 Ų | 109 | 129.5 Ų | 129.5 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 137.2 | 175.4 | 28 | -33.7 | 0 | 0 | 0 | 110.2 | L493 | P491-L493 PolarHBondContact O-N 2.98Š|
| 492 | P | 61.8 | Low | 52.7 | Low | 116 Ų | 116 | 127.8 Ų | 127.8 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 135.1 | 179.6 | 26.6 | -34.1 | 0 | 0 | 0 | 110.8 | ||
| 493 | L | 56.4 | Low | 52 | Low | 142 Ų | 142 | 126.9 Ų | 126.9 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 139.1 | 178.9 | -65.3 | 175.6 | 0 | 0 | 0 | 110.5 | P491 G495 S496 | P491-L493 PolarHBondContact O-N 2.98Å; L493-G495 PolarHBondContact O-N 2.85Å; L493-S496 PolarHBondContact O-N 3Å; L493-S496 PolarHBondContact O-OG 3.13Å |
| 494 | P | 47.6 | Very low | 51.2 | Low | 138 Ų | 138 | 125.9 Ų | 125.9 | 90% | 0.896 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | 105.3 | -178.6 | 26.4 | -33.8 | 0 | 0 | 0 | 110.7 | ||
| 495 | G | 53.2 | Low | 50.1 | Low | 76 Ų | 76 | 128.1 Ų | 128.1 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 145.7 | -27.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L493 S497 | L493-G495 PolarHBondContact O-N 2.85Å; G495-S497 PolarHBondContact O-N 2.56Å; G495-S497 VanDerWaalsContact O-N 3.11Å |
| 496 | S | 40.7 | Very low | 48.9 | Very low | 87 Ų | 87 | 128.3 Ų | 128.3 | 61% | 0.608 | 75% | 0.754 | S | S | * | * | trans | -85.4 | 84.3 | -175.4 | 61.4 | 0 | 0 | 0 | 0 | 113 | L493 S498 | L493-S496 PolarHBondContact O-N 3Å; L493-S496 PolarHBondContact O-OG 3.13Å; S496-S498 PolarHBondContact O-N 3.16Å | ||
| 497 | S | 41.1 | Very low | 47.7 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | trans | -79.6 | 103 | 164.8 | -74.2 | 0 | 0 | 0 | 0 | 110.7 | G495 | G495-S497 PolarHBondContact O-N 2.56Å; G495-S497 VanDerWaalsContact O-N 3.11Å | ||
| 498 | S | 39.6 | Very low | 46.6 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -83 | 125.6 | 166.7 | 47.1 | 0 | 0 | 0 | 0 | 110.8 | S496 | S496-S498 PolarHBondContact O-N 3.16Š| ||
| 499 | R | 32.8 | Very low | 46 | Very low | 243 Ų | 243 | 136.8 Ų | 136.8 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | trans | -141.6 | 108.8 | 162.3 | -80.6 | -163.4 | 179.8 | -162.1 | 1.9 | 111.1 | ||||
| 500 | M | 35.9 | Very low | 44.4 | Very low | 174 Ų | 174 | 140 Ų | 140 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -83.8 | 170.9 | 132.7 | -87 | -163.9 | 75.1 | 0 | 0 | 108.2 | ||||
| 501 | P | 39.4 | Very low | 42.8 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | cis | -123.9 | 176.1 | 7.9 | 41.3 | -27.5 | 0 | 0 | 0 | 114 | ||||
| 502 | G | 31.7 | Very low | 41.5 | Very low | 71 Ų | 71 | 140.9 Ų | 140.9 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | trans | 147.1 | 95.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 503 | E | 35.3 | Very low | 40.5 | Very low | 184 Ų | 184 | 141.3 Ų | 141.3 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -34.4 | 133.1 | 159.6 | -173.1 | 177.1 | -146.9 | 0 | 0 | 116 | ||||
| 504 | L | 34.3 | Very low | 39.6 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | 179.1 | 163.9 | 116.4 | -95.8 | 174.2 | 0 | 0 | 0 | 113 | |||||
| 505 | I | 40.9 | Very low | 39.2 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | trans | -102.3 | 135.7 | -178.1 | -49.6 | 172.3 | 0 | 0 | 0 | 109.3 | ||||
| 506 | L | 34.8 | Very low | 38.4 | Very low | 147 Ų | 147 | 144.2 Ų | 144.2 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | 162.3 | 125.2 | 128.1 | -86.4 | 168.8 | 0 | 0 | 0 | 113.8 | |||||
| 507 | E | 42.2 | Very low | 38.1 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 61% | 0.607 | 81% | 0.808 | S | S | * | * | trans | 21.4 | 118.4 | 131.3 | -166.8 | -179.4 | 176.2 | 0 | 0 | 119 | R509 | E507-R509 HydrophobicContact CG-CG 4.04Å; E507-R509 WeakPolarHBondContact OE1-CG 3.33Å; E507-R509 IonicContact OE1-CZ 2.71Å; E507-R509 IonicContact OE1-NE 2.61Å; E507-R509 PolarHBondContact OE1-NE 3.1Å; E507-R509 IonicContact OE1-NH2 3.68Å | ||
| 508 | N | 36.4 | Very low | 37.5 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -119.4 | 110.7 | 153.5 | -170.5 | 19.2 | 0 | 0 | 0 | 110.2 | ||||
| 509 | R | 47.7 | Very low | 37.3 | Very low | 186 Ų | 186 | 153.6 Ų | 153.6 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | trans | -73.8 | 144.5 | 179.7 | -65.7 | 166.7 | 170 | -174.5 | -9.9 | 111.1 | E507 | E507-R509 HydrophobicContact CG-CG 4.04Å; E507-R509 WeakPolarHBondContact OE1-CG 3.33Å; E507-R509 IonicContact OE1-CZ 2.71Å; E507-R509 IonicContact OE1-NE 2.61Å; E507-R509 PolarHBondContact OE1-NE 3.1Å; E507-R509 IonicContact OE1-NH2 3.68Å | ||
| 510 | M | 36.1 | Very low | 37.3 | Very low | 175 Ų | 175 | 147.9 Ų | 147.9 | 86% | 0.862 | 79% | 0.785 | S | S | * | * | trans | -155.7 | 52.3 | 155.4 | -141.7 | 71.8 | 66.8 | 0 | 0 | 111.7 | ||||
| 511 | S | 41 | Very low | 37.2 | Very low | 119 Ų | 119 | 149.2 Ų | 149.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -145 | 70.7 | 178.1 | 63.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 512 | D | 42.3 | Very low | 36.8 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -125.1 | 154.4 | 163.7 | -169.1 | 3.3 | 0 | 0 | 0 | 107.6 | ||||
| 513 | V | 40.2 | Very low | 36.5 | Very low | 126 Ų | 126 | 154 Ų | 154 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | 66 | 118.5 | -164 | -165.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 514 | V | 37.8 | Very low | 36.4 | Very low | 138 Ų | 138 | 153.3 Ų | 153.3 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | cis | -126.4 | 154.9 | 39.6 | 176.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 515 | K | 40.3 | Very low | 36.3 | Very low | 206 Ų | 206 | 151.1 Ų | 151.1 | 90% | 0.896 | 77% | 0.77 | S | S | * | * | trans | -89 | 152.6 | -179.6 | -60.9 | 177.6 | 178.2 | 179 | 0 | 114.4 | ||||
| 516 | G | 35.9 | Very low | 35.8 | Very low | 72 Ų | 72 | 150.5 Ų | 150.5 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 95.5 | 152.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 517 | V | 34.3 | Very low | 35.4 | Very low | 151 Ų | 151 | 152.6 Ų | 152.6 | 92% | 0.915 | 77% | 0.765 | S | S | * | * | cis | -139.4 | 153.4 | 1.2 | 175.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 518 | Y | 29.4 | Very low | 34.6 | Very low | 197 Ų | 197 | 152.6 Ų | 152.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -99.7 | 131.9 | -171.2 | -155.5 | -93.9 | 0 | 0 | 0 | 112.9 | E520 | Y518-E520 HydrophobicContact CD1-CB 4.08Å; Y518-E520 HydrophobicContact CE1-CB 4.24Å | ||
| 519 | K | 34.8 | Very low | 34 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | trans | -148.4 | 111.5 | 155 | -75.6 | -57.8 | 176.8 | -175 | 0 | 107.8 | ||||
| 520 | E | 32.3 | Very low | 32.9 | Very low | 123 Ų | 123 | 147.8 Ų | 147.8 | 58% | 0.575 | 78% | 0.779 | S | S | * | * | cis | 67.5 | 94.9 | 47.2 | -166.6 | -173.3 | -135.4 | 0 | 0 | 112.8 | Y518 | Y518-E520 HydrophobicContact CD1-CB 4.08Å; Y518-E520 HydrophobicContact CE1-CB 4.24Å | ||
| 521 | K | 34.2 | Very low | 32.8 | Very low | 202 Ų | 202 | 145.2 Ų | 145.2 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | -158.7 | 147 | 132.9 | -162.4 | 155.3 | -173.3 | 173.6 | 0 | 110.9 | ||||
| 522 | D | 30.1 | Very low | 32.3 | Very low | 129 Ų | 129 | 146.4 Ų | 146.4 | 69% | 0.69 | 78% | 0.778 | S | S | * | * | trans | -95.8 | 169.3 | -156.4 | -44 | -86.8 | 0 | 0 | 0 | 115 | ||||
| 523 | N | 27.1 | Very low | 32.2 | Very low | 163 Ų | 163 | 144.6 Ų | 144.6 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | -149.3 | 91.8 | 161.6 | -147.2 | -95.5 | 0 | 0 | 0 | 109.5 | ||||
| 524 | E | 31.6 | Very low | 31.6 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -72.7 | 128.2 | 168.1 | -87 | -170 | 135.4 | 0 | 0 | 109.8 | ||||
| 525 | E | 32.7 | Very low | 31.1 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 53% | 0.533 | 77% | 0.765 | S | S | . | * | 69.8 | 130.1 | 103.5 | -117.4 | -160.3 | -169.4 | 0 | 0 | 113 | R527 | E525-R527 IonicContact OE1-CZ 2.76Å; E525-R527 IonicContact OE1-NE 2.68Å; E525-R527 PolarHBondContact OE1-NE 2.92Å; E525-R527 IonicContact OE1-NH2 3.14Å; E525-R527 PolarHBondContact OE1-NH2 3.48Å | |||
| 526 | L | 31 | Very low | 30.6 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 71% | 0.707 | 76% | 0.757 | S | S | * | * | cis | -144.5 | 147.6 | 49.4 | -77.6 | 153.3 | 0 | 0 | 0 | 110.4 | ||||
| 527 | R | 25.5 | Very low | 30.2 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | 52.5 | 140.7 | 78.4 | -55.6 | -164.6 | -161.1 | -155.7 | 11.6 | 114.2 | E525 | E525-R527 IonicContact OE1-CZ 2.76Å; E525-R527 IonicContact OE1-NE 2.68Å; E525-R527 PolarHBondContact OE1-NE 2.92Å; E525-R527 IonicContact OE1-NH2 3.14Å; E525-R527 PolarHBondContact OE1-NH2 3.48Å | |||
| 528 | V | 25.5 | Very low | 29.8 | Very low | 131 Ų | 131 | 142.2 Ų | 142.2 | 79% | 0.794 | 75% | 0.745 | S | S | * | * | cis | -149.8 | 172.5 | 9.6 | 95.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 529 | S | 24.5 | Very low | 29.4 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 158.8 | -174.3 | -40.3 | 0 | 0 | 0 | 0 | 116.9 | ||
| 530 | C | 23.5 | Very low | 28.9 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 144.8 | 159.9 | -59 | 0 | 0 | 0 | 0 | 111.5 | ||
| 531 | P | 35.4 | Very low | 28.6 | Very low | 120 Ų | 120 | 139.5 Ų | 139.5 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 165.7 | 169.9 | 37 | -33.4 | 0 | 0 | 0 | 113.3 | ||
| 532 | V | 30.1 | Very low | 28.1 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -117.9 | 126.7 | 174.8 | 172 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 533 | P | 39.7 | Very low | 28.1 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | trans | -140.3 | 175.7 | 140 | 37.3 | -23.3 | 0 | 0 | 0 | 111.7 | ||||
| 534 | A | 28.3 | Very low | 28.1 | Very low | 76 Ų | 76 | 133.4 Ų | 133.4 | 63% | 0.628 | 76% | 0.755 | S | S | * | * | cis | -170.6 | 169.1 | -32.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 535 | D | 27.3 | Very low | 27.9 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | 56.1 | 126.8 | 155.8 | -55.6 | -14.6 | 0 | 0 | 0 | 119.2 | ||||
| 536 | E | 29 | Very low | 27.8 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | 95.4 | 118.7 | 51.5 | -79.9 | -119.8 | 87.6 | 0 | 0 | 114.8 | |||||
| 537 | Q | 27.8 | Very low | 27.5 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | trans | 70.7 | 106.9 | 144.5 | -71.4 | -170.2 | 55.1 | 0 | 0 | 123.5 | ||||
| 538 | T | 25.6 | Very low | 27.6 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | 106.2 | 145.3 | 110.3 | -63.8 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 539 | E | 21.8 | Very low | 27.7 | Very low | 186 Ų | 186 | 130 Ų | 130 | 87% | 0.869 | 76% | 0.755 | S | S | * | * | trans | 84.7 | 158.6 | 163.6 | -96.7 | 168.7 | -161.1 | 0 | 0 | 121.5 | ||||
| 540 | C | 25 | Very low | 27.9 | Very low | 113 Ų | 113 | 130.3 Ų | 130.3 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | trans | -123.3 | 162 | -155.5 | -53.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 541 | T | 24.1 | Very low | 28.1 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 85% | 0.847 | 76% | 0.758 | S | S | * | * | 174.4 | 154.5 | 115.9 | 29.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 542 | S | 25.1 | Very low | 28.2 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | 69.8 | 137.8 | 148.1 | 168.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 543 | A | 28.6 | Very low | 29 | Very low | 78 Ų | 78 | 128.7 Ų | 128.7 | 65% | 0.645 | 75% | 0.753 | S | S | * | * | cis | -168.7 | -178.1 | -11.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 544 | Q | 28.6 | Very low | 28.5 | Very low | 172 Ų | 172 | 129.4 Ų | 129.4 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | 78.1 | 136.1 | 168.2 | -55 | -176 | -6.7 | 0 | 0 | 115.4 | ||||
| 545 | Q | 27.5 | Very low | 28.4 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | cis | -160.1 | 147.4 | -0.6 | -123 | 175.9 | 9.9 | 0 | 0 | 111.5 | ||||
| 546 | L | 29.3 | Very low | 28.6 | Very low | 148 Ų | 148 | 127.8 Ų | 127.8 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | trans | 64.8 | 147.5 | 155.6 | -58.5 | 171 | 0 | 0 | 0 | 118.7 | ||||
| 547 | N | 26.3 | Very low | 28.4 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 70% | 0.695 | 77% | 0.769 | S | S | * | * | cis | -157.2 | 174.6 | -26.2 | -156.3 | 10.3 | 0 | 0 | 0 | 110.7 | ||||
| 548 | M | 27.6 | Very low | 28.4 | Very low | 152 Ų | 152 | 127.6 Ų | 127.6 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | -42.7 | 165.1 | 174.9 | -57.7 | -58.6 | 99.7 | 0 | 0 | 117.2 | ||||
| 549 | S | 27.2 | Very low | 28.4 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | cis | 176.5 | 132.3 | -32.9 | 59 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 550 | S | 28.6 | Very low | 28.7 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | 39.8 | 116.5 | 154.6 | 62.1 | 0 | 0 | 0 | 0 | 123 | ||||
| 551 | S | 27.9 | Very low | 28.9 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -177.8 | 153 | 136.8 | 57.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 552 | S | 36.3 | Very low | 29.1 | Very low | 108 Ų | 108 | 123.7 Ų | 123.7 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | trans | -114.8 | 174.5 | 151.2 | 69.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 553 | P | 46.8 | Very low | 29.3 | Very low | 123 Ų | 123 | 123.9 Ų | 123.9 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | cis | -141.5 | -133.6 | 23.2 | 43.3 | -19.9 | 0 | 0 | 0 | 115.2 | ||||
| 554 | C | 29.1 | Very low | 29.2 | Very low | 129 Ų | 129 | 125.7 Ų | 125.7 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | trans | -80.3 | 165.1 | -157.1 | -47.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 555 | A | 27.9 | Very low | 29.1 | Very low | 93 Ų | 93 | 125.7 Ų | 125.7 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | trans | -149.1 | 130.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 556 | A | 30.2 | Very low | 29.1 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | 77.7 | 140.7 | 87.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 557 | E | 24.7 | Very low | 29 | Very low | 166 Ų | 166 | 125.4 Ų | 125.4 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | cis | -145.4 | 161.1 | 16.4 | -82.8 | -165.9 | 89.5 | 0 | 0 | 115.4 | ||||
| 558 | L | 28.3 | Very low | 29.2 | Very low | 138 Ų | 138 | 127 Ų | 127 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | trans | 32.7 | 124.8 | 147.6 | -52.2 | 176.6 | 0 | 0 | 0 | 123.9 | ||||
| 559 | T | 24.5 | Very low | 29.1 | Very low | 128 Ų | 128 | 125.1 Ų | 125.1 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | 70.1 | 150.5 | 80.3 | 3.5 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 560 | A | 29.4 | Very low | 29.2 | Very low | 80 Ų | 80 | 127.4 Ų | 127.4 | 66% | 0.661 | 75% | 0.75 | S | S | * | * | cis | -156 | 178 | 14.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 561 | L | 29.2 | Very low | 29.2 | Very low | 166 Ų | 166 | 128.4 Ų | 128.4 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | trans | 81.3 | 143.7 | 175.6 | -52.4 | -177.7 | 0 | 0 | 0 | 115.4 | ||||
| 562 | S | 28.3 | Very low | 29 | Very low | 92 Ų | 92 | 131 Ų | 131 | 64% | 0.643 | 74% | 0.743 | S | S | * | * | cis | -148.1 | 146 | -11.6 | -87.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 563 | T | 29.2 | Very low | 28.6 | Very low | 122 Ų | 122 | 133.4 Ų | 133.4 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | 58.8 | 128.3 | 71.9 | 18.4 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 564 | T | 25.3 | Very low | 27.7 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | cis | -137.4 | 144.4 | 8.2 | 39.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 565 | Q | 27.5 | Very low | 28 | Very low | 172 Ų | 172 | 132.1 Ų | 132.1 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | 60.4 | 140.1 | 76 | -93.5 | -170 | 17.2 | 0 | 0 | 115.3 | |||||
| 566 | K | 28.1 | Very low | 27.9 | Very low | 141 Ų | 141 | 134.2 Ų | 134.2 | 61% | 0.613 | 75% | 0.746 | S | S | * | * | cis | -169.5 | 164.3 | 4.7 | -157.3 | -170.9 | 168.8 | -145.8 | 0 | 112.4 | ||||
| 567 | E | 26 | Very low | 27.9 | Very low | 147 Ų | 147 | 137.9 Ų | 137.9 | 69% | 0.687 | 75% | 0.746 | S | S | * | * | trans | 69.1 | -179.9 | 147.3 | -126.6 | 144.2 | -141 | 0 | 0 | 121.3 | ||||
| 568 | K | 31.3 | Very low | 28 | Very low | 162 Ų | 162 | 138.3 Ų | 138.3 | 70% | 0.704 | 75% | 0.746 | S | S | * | * | -159.1 | 152.1 | -87.8 | -164 | -158.9 | 176.1 | -138 | 0 | 112.7 | |||||
| 569 | D | 26.3 | Very low | 27.9 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 60% | 0.604 | 75% | 0.745 | S | S | * | * | trans | 69.6 | 142.6 | 159.4 | -71.1 | -17.7 | 0 | 0 | 0 | 123.1 | ||||
| 570 | L | 28.2 | Very low | 27.9 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | trans | 63.3 | 119.8 | 147.3 | -94.2 | 77.3 | 0 | 0 | 0 | 125.4 | ||||
| 571 | I | 28 | Very low | 27.9 | Very low | 134 Ų | 134 | 139 Ų | 139 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | 69.3 | 133.9 | 121 | -75.2 | 178.8 | 0 | 0 | 0 | 123.9 | |||||
| 572 | E | 25.1 | Very low | 27.9 | Very low | 183 Ų | 183 | 137.1 Ų | 137.1 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | 67.6 | 152.6 | 156 | -86 | 173.8 | 145.2 | 0 | 0 | 124.1 | ||||
| 573 | D | 26.4 | Very low | 28 | Very low | 158 Ų | 158 | 140.3 Ų | 140.3 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | -68.9 | 155.5 | -178.4 | -60.1 | -85.5 | 0 | 0 | 0 | 114.7 | ||||
| 574 | S | 28 | Very low | 27.9 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | -169.3 | 165.6 | 116.2 | -164.3 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 575 | S | 35.4 | Very low | 27.9 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -126 | 148.4 | 177.5 | 61.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 576 | V | 26.8 | Very low | 27.8 | Very low | 138 Ų | 138 | 139.8 Ų | 139.8 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | trans | -152.4 | 146.8 | 176.5 | 178.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 577 | Q | 29.5 | Very low | 28.7 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | cis | 179 | 147.1 | -41.7 | -121.8 | -170.7 | 10.4 | 0 | 0 | 106.8 | ||||
| 578 | K | 26.9 | Very low | 28.7 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | trans | -173.4 | 137.5 | 154.6 | -95.7 | -159.2 | 163.9 | -65.3 | 0 | 107.2 | ||||
| 579 | D | 26.9 | Very low | 28.5 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 72% | 0.717 | 76% | 0.757 | S | S | * | * | cis | -152.7 | 151.9 | -16 | -89.9 | -39.1 | 0 | 0 | 0 | 106.1 | ||||
| 580 | G | 24.7 | Very low | 29.6 | Very low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 160.1 | 60.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 581 | L | 28.2 | Very low | 30.8 | Very low | 152 Ų | 152 | 133.7 Ų | 133.7 | 80% | 0.796 | 76% | 0.764 | S | S | * | * | trans | 31.1 | 122.8 | 154.2 | -94.5 | 69.9 | 0 | 0 | 0 | 122.7 | ||||
| 582 | N | 29.8 | Very low | 30.8 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | 59.9 | 143 | 130 | -60 | -10.4 | 0 | 0 | 0 | 121.9 | |||||
| 583 | Q | 30.4 | Very low | 30.9 | Very low | 159 Ų | 159 | 130.5 Ų | 130.5 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | cis | -161.8 | 155.8 | -9.5 | -116.3 | -174.5 | 50.8 | 0 | 0 | 111.2 | ||||
| 584 | T | 27.3 | Very low | 31.1 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 66% | 0.663 | 77% | 0.771 | S | S | * | * | trans | 16.1 | 141 | 146.7 | -0.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 585 | T | 24.7 | Very low | 31.2 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | cis | -163.4 | 163.9 | 33.9 | -36.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 586 | M | 25.1 | Very low | 31.9 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 82% | 0.823 | 78% | 0.775 | S | S | * | * | trans | -103.8 | -162.7 | 169.8 | -71.3 | -91.8 | 87.4 | 0 | 0 | 110.5 | ||||
| 587 | P | 47.8 | Very low | 31.8 | Very low | 110 Ų | 110 | 132.6 Ų | 132.6 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | cis | -136.1 | -160.4 | -8.8 | 26.1 | 1 | 0 | 0 | 0 | 115 | ||||
| 588 | V | 26.4 | Very low | 31.8 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | 102.2 | 149.8 | 153.4 | -170 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 589 | S | 27.4 | Very low | 31.9 | Very low | 98 Ų | 98 | 131.5 Ų | 131.5 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | trans | -149.8 | -175.3 | -172.3 | 66.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 590 | P | 49.1 | Very low | 32 | Very low | 116 Ų | 116 | 130 Ų | 130 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | cis | -117.6 | -104.9 | -17.5 | 18.7 | 6 | 0 | 0 | 0 | 115.1 | ||||
| 591 | P | 54 | Low | 32.1 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | -126.8 | 161.2 | -121.7 | 40.9 | -24.8 | 0 | 0 | 0 | 117.4 | |||||
| 592 | S | 26.8 | Very low | 32.1 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 88% | 0.881 | 78% | 0.775 | S | S | * | * | trans | -162.4 | 159.6 | 155.4 | 56 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 593 | T | 27.7 | Very low | 32.1 | Very low | 124 Ų | 124 | 130 Ų | 130 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -77.2 | 153.4 | 177.8 | 49.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 594 | T | 29.4 | Very low | 32.9 | Very low | 145 Ų | 145 | 128.4 Ų | 128.4 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | -179.2 | 161.7 | 124.6 | 23.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 595 | K | 30.4 | Very low | 32.9 | Very low | 198 Ų | 198 | 128.9 Ų | 128.9 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -115 | 172.8 | 158.9 | -83.7 | -175.6 | 177.5 | -179.2 | 0 | 107.4 | ||||
| 596 | P | 49.9 | Very low | 33.2 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 79% | 0.786 | 79% | 0.792 | S | S | * | * | cis | -113.8 | -129.9 | 7.3 | 28.1 | -3.4 | 0 | 0 | 0 | 110.6 | ||||
| 597 | S | 25.6 | Very low | 33.4 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | cis | -161.1 | 132.6 | -2.1 | 23.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 598 | R | 30.4 | Very low | 32.7 | Very low | 236 Ų | 236 | 130.8 Ų | 130.8 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | 91.8 | 100.2 | 68.2 | -168.9 | -173.5 | -173.5 | 179.7 | 3.9 | 114.4 | |||||
| 599 | A | 28.1 | Very low | 33 | Very low | 89 Ų | 89 | 131.8 Ų | 131.8 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | 68 | 164.3 | 156.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 600 | S | 29.1 | Very low | 33.2 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | cis | -147 | 158.2 | 12.8 | -56.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 601 | T | 26.5 | Very low | 32.3 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | 30 | 125.3 | 143.6 | 57.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 602 | A | 29.3 | Very low | 31.3 | Very low | 101 Ų | 101 | 133 Ų | 133 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | 178.9 | 150 | 106.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 603 | S | 29.1 | Very low | 31.6 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -115.3 | 172.9 | 162.4 | -50.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 604 | P | 46.6 | Very low | 31.9 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | cis | -119 | -160.5 | 10.4 | 40 | -20.2 | 0 | 0 | 0 | 111.8 | ||||
| 605 | C | 27.2 | Very low | 32.2 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | cis | -154.2 | -172.9 | 18.1 | 58.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 606 | N | 31 | Very low | 32.4 | Very low | 141 Ų | 141 | 127.4 Ų | 127.4 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | -67 | 148.5 | -165.9 | -53.1 | -18.3 | 0 | 0 | 0 | 116.6 | ||||
| 607 | N | 29.7 | Very low | 31.6 | Very low | 155 Ų | 155 | 130 Ų | 130 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | -170.4 | 162.7 | 105 | -97.7 | -23.9 | 0 | 0 | 0 | 114.9 | |||||
| 608 | N | 32.2 | Very low | 32.3 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | -66.8 | 147.1 | -167.4 | -53.6 | -54.5 | 0 | 0 | 0 | 116.1 | ||||
| 609 | I | 34.1 | Very low | 32.8 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 82% | 0.821 | 81% | 0.81 | S | S | * | * | 179.7 | 152.7 | 109.3 | -90.3 | 159.8 | 0 | 0 | 0 | 111.2 | |||||
| 610 | N | 31.5 | Very low | 33.7 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -67.4 | 146.8 | -169.6 | -44.4 | -55.5 | 0 | 0 | 0 | 115.5 | ||||
| 611 | A | 30.6 | Very low | 35 | Very low | 96 Ų | 96 | 140 Ų | 140 | 79% | 0.793 | 82% | 0.824 | S | S | * | * | 174.4 | 162.9 | 105.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 612 | A | 31.2 | Very low | 36.5 | Very low | 103 Ų | 103 | 143 Ų | 143 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | trans | 57.6 | 106.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 613 | I | 33 | Very low | 37.9 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -96.5 | 130.8 | 172.6 | -63.5 | 171.8 | 0 | 0 | 0 | 110.1 | V615 | I613-V615 HydrophobicContact CG2-CG2 3.87Š| ||
| 614 | A | 34.3 | Very low | 39.5 | Very low | 102 Ų | 102 | 142.2 Ų | 142.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | trans | -93.4 | 132 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 615 | V | 36.2 | Very low | 39.8 | Very low | 122 Ų | 122 | 145.5 Ų | 145.5 | 74% | 0.739 | 80% | 0.8 | S | S | * | * | trans | -113.1 | 106.3 | 176.6 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | I613 | I613-V615 HydrophobicContact CG2-CG2 3.87Š| ||
| 616 | A | 35.5 | Very low | 41.2 | Very low | 94 Ų | 94 | 143 Ų | 143 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | -82.6 | 134.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 617 | L | 33.3 | Very low | 42.9 | Very low | 177 Ų | 177 | 142 Ų | 142 | 93% | 0.927 | 78% | 0.778 | S | S | * | * | trans | -70.5 | 137.6 | -179 | -76.1 | 166.4 | 0 | 0 | 0 | 111.6 | ||||
| 618 | Q | 39.4 | Very low | 44.3 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -114.9 | 158.4 | 178.2 | -158.2 | 171.6 | 45.4 | 0 | 0 | 110 | ||||
| 619 | E | 40.3 | Very low | 45.4 | Very low | 179 Ų | 179 | 136.8 Ų | 136.8 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | -60.8 | 147.7 | -172.6 | -62.8 | -177.9 | 128.7 | 0 | 0 | 113.8 | R621 | E619-R621 PolarHBondContact O-N 3.15Å; E619-R621 VanDerWaalsContact O-N 3.14Å | ||
| 620 | P | 48.1 | Very low | 46.4 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 84% | 0.844 | 76% | 0.756 | S | S | * | * | trans | -68.5 | 112.4 | -175.8 | 27.1 | -34.7 | 0 | 0 | 0 | 112.4 | ||||
| 621 | R | 56.7 | Low | 47.1 | Very low | 237 Ų | 237 | 138.8 Ų | 138.8 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 134.7 | 172 | -170.8 | 174.6 | -175.2 | 143.2 | -2 | 110.3 | E619 L623 | E619-R621 PolarHBondContact O-N 3.15Å; E619-R621 VanDerWaalsContact O-N 3.14Å; R621-L623 PolarHBondContact O-N 3Å |
| 622 | K | 57.8 | Low | 48 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 123.9 | 175.3 | -62.6 | 179.8 | -178.1 | 178.7 | 0 | 110 | ||
| 623 | L | 58.9 | Low | 48.4 | Very low | 135 Ų | 135 | 141.1 Ų | 141.1 | 71% | 0.707 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 150.4 | 174.5 | -67.7 | 169.3 | 0 | 0 | 0 | 111.3 | R621 | R621-L623 PolarHBondContact O-N 3Š|
| 624 | S | 62.6 | Low | 48.5 | Very low | 66 Ų | 66 | 142.7 Ų | 142.7 | 46% | 0.462 | 76% | 0.757 | S | S | . | * | P | Polyproline II helix | trans | -84.7 | 147.9 | 177.9 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | A626 E627 | S624-A626 PolarHBondContact O-N 3.03Å; S624-A626 VanDerWaalsContact O-N 3.13Å; S624-E627 WeakPolarHBondContact CB-OE2 3.45Å; S624-E627 PolarHBondContact N-OE2 3.05Å; S624-E627 WeakPolarHBondContact O-CB 3.3Å; S624-E627 PolarHBondContact O-N 3.38Å |
| 625 | Y | 51.4 | Low | 48.3 | Very low | 197 Ų | 197 | 146.4 Ų | 146.4 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -57.2 | -29.4 | 177.1 | -172.9 | -104.7 | 0 | 0 | 0 | 112.8 | E627 V628 | Y625-E627 VanDerWaalsContact C-N 3.29Å; Y625-E627 PolarHBondContact O-N 3.31Å; Y625-V628 PolarHBondContact O-N 2.84Å |
| 626 | A | 58.7 | Low | 48.4 | Very low | 64 Ų | 64 | 146.7 Ų | 146.7 | 53% | 0.529 | 76% | 0.761 | S | S | . | * | H | α-helix | trans | -69.1 | -20.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S624 | S624-A626 PolarHBondContact O-N 3.03Å; S624-A626 VanDerWaalsContact O-N 3.13Å |
| 627 | E | 64.7 | Low | 48.2 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 56% | 0.556 | 76% | 0.763 | S | S | * | * | H | α-helix | trans | -85.3 | -23.8 | -178.4 | -62.8 | 170.4 | 128.3 | 0 | 0 | 111.7 | S624 Y625 | S624-E627 WeakPolarHBondContact CB-OE2 3.45Å; S624-E627 PolarHBondContact N-OE2 3.05Å; S624-E627 WeakPolarHBondContact O-CB 3.3Å; S624-E627 PolarHBondContact O-N 3.38Å; Y625-E627 VanDerWaalsContact C-N 3.29Å; Y625-E627 PolarHBondContact O-N 3.31Å |
| 628 | V | 60.7 | Low | 48 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 67% | 0.673 | 76% | 0.76 | S | S | * | * | H | α-helix | trans | -84 | -21.7 | -178.3 | -175.6 | 0 | 0 | 0 | 0 | 112.5 | Y625 | Y625-V628 PolarHBondContact O-N 2.84Å |
| 629 | C | 55 | Low | 47.4 | Very low | 80 Ų | 80 | 142.5 Ų | 142.5 | 54% | 0.541 | 76% | 0.756 | S | S | . | * | S | Bend | trans | -93.2 | 0.6 | -171.6 | -67.1 | 0 | 0 | 0 | 0 | 115.7 | K631 | C629-K631 PolarHBondContact O-N 3.01Š|
| 630 | Q | 55.7 | Low | 46.8 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -85.3 | 111.8 | -179 | -62.3 | -165.2 | 36.3 | 0 | 0 | 111.6 | ||||
| 631 | K | 44.7 | Very low | 45.8 | Very low | 194 Ų | 194 | 141 Ų | 141 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 134.1 | 169.2 | -67.3 | -179.9 | 178.7 | 178.2 | 0 | 109.6 | C629 | C629-K631 PolarHBondContact O-N 3.01Š|
| 632 | P | 50.4 | Low | 44.6 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 142.7 | 171.1 | 27.9 | -33.7 | 0 | 0 | 0 | 111 | ||
| 633 | P | 40.2 | Very low | 43.6 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 171.7 | 166.8 | -22.1 | 34.6 | 0 | 0 | 0 | 112.7 | ||
| 634 | K | 34.3 | Very low | 42.3 | Very low | 192 Ų | 192 | 135.8 Ų | 135.8 | 84% | 0.835 | 75% | 0.75 | S | S | * | * | trans | -134.9 | 162.6 | -174 | -155.9 | 176.3 | -176.6 | -173.5 | 0 | 110.8 | ||||
| 635 | E | 29.3 | Very low | 41 | Very low | 179 Ų | 179 | 143 Ų | 143 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | 79.5 | 158.9 | 175.8 | -54.9 | -179 | -169.1 | 0 | 0 | 116.7 | ||||
| 636 | P | 39.3 | Very low | 40.3 | Very low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | cis | -120.9 | -175.8 | -13.2 | 22.4 | 0.6 | 0 | 0 | 0 | 113.2 | ||||
| 637 | S | 30.4 | Very low | 39.1 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -104.9 | 144.7 | 175.8 | 57.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 638 | S | 29 | Very low | 37.7 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -146 | 168.7 | 162.4 | 62.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 639 | V | 27.7 | Very low | 36.4 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -133.8 | 158.1 | -159.4 | -178.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 640 | L | 27.3 | Very low | 35 | Very low | 156 Ų | 156 | 149.7 Ų | 149.7 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | 113.5 | 150.9 | 145.8 | -149.1 | 74.8 | 0 | 0 | 0 | 118 | ||||
| 641 | V | 27.1 | Very low | 33.9 | Very low | 121 Ų | 121 | 147.6 Ų | 147.6 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | 87.4 | 108.9 | 160.9 | -168.7 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 642 | Q | 31.7 | Very low | 32.9 | Very low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -84.3 | 163.9 | 148.3 | -67.8 | -178 | -20.6 | 0 | 0 | 109.8 | ||||
| 643 | P | 37.8 | Very low | 32 | Very low | 127 Ų | 127 | 144.8 Ų | 144.8 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | -138.2 | 153.6 | 109.8 | 37.1 | -27.3 | 0 | 0 | 0 | 115.9 | |||||
| 644 | L | 31.6 | Very low | 32.8 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -84.9 | 145.6 | 170.5 | -178.3 | 77.8 | 0 | 0 | 0 | 111.1 | ||||
| 645 | R | 33.5 | Very low | 32.7 | Very low | 217 Ų | 217 | 140.7 Ų | 140.7 | 82% | 0.819 | 78% | 0.781 | S | S | * | * | trans | 169.2 | 157.9 | 156.5 | -102.6 | -179.4 | 165.7 | 130.2 | 7.6 | 110 | ||||
| 646 | E | 36.9 | Very low | 33 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 53% | 0.528 | 78% | 0.776 | S | S | . | * | cis | -161.6 | 169.4 | -25.7 | -128.5 | -175.1 | -76.7 | 0 | 0 | 104.4 | ||||
| 647 | L | 35 | Very low | 32.6 | Very low | 134 Ų | 134 | 139 Ų | 139 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | cis | -147.1 | 155.1 | 24.8 | -84.4 | 102.1 | 0 | 0 | 0 | 112.4 | ||||
| 648 | R | 35.2 | Very low | 32.6 | Very low | 214 Ų | 214 | 141.3 Ų | 141.3 | 81% | 0.808 | 76% | 0.76 | S | S | * | * | trans | 30.2 | 142.9 | 130.2 | -56.8 | -172.5 | -175.9 | 178.6 | -0.7 | 120.8 | ||||
| 649 | S | 32.6 | Very low | 32.7 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | cis | -137 | -180 | 40.7 | 68.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 650 | N | 26.5 | Very low | 32.7 | Very low | 145 Ų | 145 | 140.7 Ų | 140.7 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | cis | -138.8 | -130.9 | 11.4 | -154.4 | 11.6 | 0 | 0 | 0 | 115.5 | ||||
| 651 | V | 31.5 | Very low | 32.6 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 72% | 0.715 | 75% | 0.754 | S | S | * | * | trans | -151.7 | 148.4 | -154.3 | 167.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 652 | V | 24.5 | Very low | 32.8 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | trans | 163.5 | 115.9 | 137.9 | 160.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 653 | S | 31.6 | Very low | 33.7 | Very low | 112 Ų | 112 | 133.1 Ų | 133.1 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | trans | -175.7 | 152.4 | 166.6 | 60.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 654 | P | 56.4 | Low | 33.3 | Very low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | trans | -159.5 | 179.6 | 135 | 42.6 | -24.6 | 0 | 0 | 0 | 117.5 | ||||
| 655 | T | 32.2 | Very low | 33.2 | Very low | 127 Ų | 127 | 133 Ų | 133 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | 66.4 | 147.2 | 154.5 | 55.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 656 | K | 34.4 | Very low | 33.1 | Very low | 168 Ų | 168 | 126.9 Ų | 126.9 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | cis | -170.6 | 169.3 | -10.8 | -118.3 | -155.3 | 159.7 | -140.4 | 0 | 108.3 | ||||
| 657 | N | 32.2 | Very low | 32.6 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 55% | 0.551 | 74% | 0.739 | S | S | * | * | cis | -165.2 | 168.5 | -15.9 | -143.2 | 45.7 | 0 | 0 | 0 | 112.2 | ||||
| 658 | E | 30.2 | Very low | 32.2 | Very low | 165 Ų | 165 | 128.7 Ų | 128.7 | 77% | 0.771 | 74% | 0.743 | S | S | * | * | trans | 63.4 | 126.8 | 147.3 | -98 | 166.5 | 137.6 | 0 | 0 | 126.2 | ||||
| 659 | D | 30.9 | Very low | 32.1 | Very low | 144 Ų | 144 | 127.4 Ų | 127.4 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | 107.8 | 136.1 | 136.8 | -152.6 | 48.8 | 0 | 0 | 0 | 123.8 | ||||
| 660 | S | 27.6 | Very low | 32.6 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 30 | 136.3 | 164.2 | 60.6 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 661 | G | 25 | Very low | 32.5 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 88% | 0.876 | 74% | 0.74 | S | S | * | * | trans | 146.7 | 135.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 662 | A | 31.7 | Very low | 32.2 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 79% | 0.793 | 74% | 0.739 | S | S | * | * | trans | -160.6 | -172.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 663 | P | 51.3 | Low | 32.6 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 71% | 0.714 | 74% | 0.738 | S | S | * | * | cis | -142.2 | -173.3 | -3.8 | 45 | -26.9 | 0 | 0 | 0 | 116.3 | ||||
| 664 | E | 29 | Very low | 33.6 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 77% | 0.766 | 73% | 0.733 | S | S | * | * | trans | 63.6 | 154.4 | 154.7 | -57.6 | -141.2 | 128.2 | 0 | 0 | 119.8 | ||||
| 665 | N | 29 | Very low | 32.1 | Very low | 120 Ų | 120 | 135 Ų | 135 | 64% | 0.642 | 74% | 0.739 | S | S | * | * | cis | -169.5 | 170.1 | -16.8 | -101.5 | -13.1 | 0 | 0 | 0 | 109 | ||||
| 666 | S | 30.9 | Very low | 32 | Very low | 89 Ų | 89 | 132.5 Ų | 132.5 | 62% | 0.622 | 73% | 0.73 | S | S | * | * | cis | -176.3 | -178.3 | -33.5 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 667 | V | 27.4 | Very low | 31.6 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | trans | 86.5 | 131.3 | 149.9 | 158.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 668 | E | 25.4 | Very low | 31.7 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | trans | 50.7 | 143.2 | 160.5 | -68 | -179.3 | 120.4 | 0 | 0 | 122.5 | ||||
| 669 | K | 33.9 | Very low | 31.6 | Very low | 187 Ų | 187 | 134 Ų | 134 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | cis | 83.1 | 153.6 | 35.4 | -86 | -171.7 | 173 | -178.4 | 0 | 114.9 | ||||
| 670 | P | 42.6 | Very low | 31.6 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | -142.7 | -175.4 | -59 | 37.3 | -16.2 | 0 | 0 | 0 | 115.2 | |||||
| 671 | H | 25.3 | Very low | 31.8 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 75% | 0.745 | 75% | 0.751 | S | S | * | * | trans | 91.2 | 168.6 | 139.2 | -134.6 | 22.2 | 0 | 0 | 0 | 123.2 | ||||
| 672 | E | 25.5 | Very low | 32 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | -35.3 | 146 | -168.3 | -76.2 | 167.2 | 177.9 | 0 | 0 | 120.7 | ||||
| 673 | K | 33 | Very low | 31.9 | Very low | 191 Ų | 191 | 142.6 Ų | 142.6 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | 52.7 | 152.4 | 66.4 | -95.1 | -171.8 | -179.3 | 178.5 | 0 | 114.7 | |||||
| 674 | P | 50.9 | Low | 31 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 67% | 0.669 | 75% | 0.747 | S | S | * | * | cis | -137.9 | -165 | -16.3 | 40.1 | -20.3 | 0 | 0 | 0 | 114.5 | ||||
| 675 | E | 26.5 | Very low | 31 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | 92 | 130.2 | 142.9 | -88.1 | -162.1 | 143 | 0 | 0 | 124.9 | ||||
| 676 | A | 28.7 | Very low | 31 | Very low | 73 Ų | 73 | 146.9 Ų | 146.9 | 60% | 0.603 | 76% | 0.761 | S | S | * | * | trans | 81.4 | 113.5 | 132.5 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 677 | R | 27.5 | Very low | 31 | Very low | 234 Ų | 234 | 145.8 Ų | 145.8 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | trans | 71.6 | 111.4 | 137.5 | -66.3 | -178.9 | 177.9 | 122.2 | 1.5 | 120.8 | ||||
| 678 | A | 33.7 | Very low | 31 | Very low | 104 Ų | 104 | 147.7 Ų | 147.7 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | 46.2 | 124.3 | 123.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 679 | S | 27.5 | Very low | 31.3 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -141.6 | 163.5 | 162.8 | 63 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 680 | K | 31 | Very low | 31.6 | Very low | 170 Ų | 170 | 144 Ų | 144 | 74% | 0.739 | 77% | 0.766 | S | S | * | * | trans | -153.3 | 134.6 | -179.2 | -155.4 | -178.5 | 159 | -71.9 | 0 | 104.3 | ||||
| 681 | D | 31.5 | Very low | 31.4 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 57% | 0.567 | 77% | 0.769 | S | S | * | * | 163.8 | -176.1 | 91.6 | -107.9 | -55.3 | 0 | 0 | 0 | 109 | |||||
| 682 | Y | 28.8 | Very low | 31.9 | Very low | 219 Ų | 219 | 149.1 Ų | 149.1 | 86% | 0.859 | 78% | 0.78 | S | S | * | * | trans | 75 | 151.3 | 172.6 | -61.7 | -89.8 | 0 | 0 | 0 | 117.1 | ||||
| 683 | S | 31.6 | Very low | 32.1 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | cis | 171.7 | 147.5 | -35 | 55.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 684 | G | 30.8 | Very low | 32 | Very low | 63 Ų | 63 | 141.7 Ų | 141.7 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | cis | 169.7 | -178.9 | -0.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 685 | F | 29.3 | Very low | 31 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | 66.2 | 132.5 | 177.5 | -77.2 | -115.7 | 0 | 0 | 0 | 115.6 | ||||
| 686 | R | 29.8 | Very low | 31.2 | Very low | 229 Ų | 229 | 136.5 Ų | 136.5 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | cis | -144.7 | -175.6 | 5.5 | -50.4 | -175.6 | -171.1 | -115.4 | -0.8 | 107.9 | ||||
| 687 | G | 30 | Very low | 31.5 | Very low | 65 Ų | 65 | 142.3 Ų | 142.3 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | cis | 143.6 | 152.2 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 688 | N | 28.4 | Very low | 31.9 | Very low | 158 Ų | 158 | 139.2 Ų | 139.2 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | 66.6 | 151 | 178.9 | -75.3 | 21.7 | 0 | 0 | 0 | 118 | ||||
| 689 | T | 32 | Very low | 31.8 | Very low | 106 Ų | 106 | 145.3 Ų | 145.3 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | cis | -175 | 140.9 | -41.2 | 26.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 690 | I | 38.7 | Very low | 32.2 | Very low | 171 Ų | 171 | 147.2 Ų | 147.2 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -88.7 | 133.7 | 176.6 | -59.3 | 171.1 | 0 | 0 | 0 | 110.8 | ||||
| 691 | P | 39.5 | Very low | 32.4 | Very low | 120 Ų | 120 | 148 Ų | 148 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -84.7 | 158.3 | 177.6 | 34 | -35.4 | 0 | 0 | 0 | 114 | ||||
| 692 | R | 34.7 | Very low | 32.5 | Very low | 257 Ų | 257 | 152.7 Ų | 152.7 | 97% | 0.97 | 81% | 0.813 | S | S | * | * | trans | -141.3 | 127.7 | 168.3 | 176.1 | -171.3 | -85.9 | -142.7 | -1.1 | 110.4 | ||||
| 693 | G | 30.6 | Very low | 32.8 | Very low | 75 Ų | 75 | 153.2 Ų | 153.2 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | 146.3 | 152.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 694 | A | 30.1 | Very low | 32.9 | Very low | 108 Ų | 108 | 155.4 Ų | 155.4 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | cis | -147.4 | -170 | -3.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 695 | A | 30.6 | Very low | 32.9 | Very low | 98 Ų | 98 | 161.2 Ų | 161.2 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -87.3 | 149 | -164.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 696 | G | 30.7 | Very low | 33 | Very low | 76 Ų | 76 | 157.5 Ų | 157.5 | 78% | 0.784 | 82% | 0.817 | S | S | * | * | trans | -116.4 | 159.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 697 | K | 34.8 | Very low | 33.1 | Very low | 196 Ų | 196 | 154.7 Ų | 154.7 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -122 | -168.2 | -176.9 | -63.3 | -169.4 | 178.3 | -175.5 | 0 | 111.1 | ||||
| 698 | I | 36.9 | Very low | 33.2 | Very low | 168 Ų | 168 | 163.7 Ų | 163.7 | 86% | 0.862 | 83% | 0.827 | S | S | * | * | trans | 84.6 | 125.9 | 174.2 | -53 | 166.2 | 0 | 0 | 0 | 111.2 | ||||
| 699 | R | 31.4 | Very low | 33.3 | Very low | 232 Ų | 232 | 160.7 Ų | 160.7 | 88% | 0.875 | 82% | 0.824 | S | S | * | * | cis | -154.8 | 151.6 | -2.8 | 168 | 171.8 | -170.6 | 147.4 | 0.3 | 112.1 | ||||
| 700 | E | 34.7 | Very low | 33.6 | Very low | 171 Ų | 171 | 162.6 Ų | 162.6 | 80% | 0.799 | 83% | 0.829 | S | S | * | * | trans | -68.1 | 132.3 | 172.9 | 176 | -176 | -164.8 | 0 | 0 | 112.9 | ||||
| 701 | Q | 36.4 | Very low | 33.6 | Very low | 186 Ų | 186 | 160.5 Ų | 160.5 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | trans | -145.2 | 126.4 | 154.6 | -149.5 | 175.3 | 30.2 | 0 | 0 | 113.6 | ||||
| 702 | R | 32 | Very low | 33.4 | Very low | 206 Ų | 206 | 163.5 Ų | 163.5 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | trans | -93.8 | 111.1 | -170 | 167.1 | -166 | 175.8 | -141 | 5 | 112.3 | ||||
| 703 | R | 36.2 | Very low | 33.2 | Very low | 230 Ų | 230 | 154.9 Ų | 154.9 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | trans | -148.5 | 110.1 | 151.2 | -62.1 | -168.7 | -170.1 | -131.2 | 1.9 | 107.2 | ||||
| 704 | Q | 32.6 | Very low | 33.4 | Very low | 157 Ų | 157 | 158 Ų | 158 | 73% | 0.734 | 83% | 0.825 | S | S | * | * | 63.7 | 116.1 | 77.5 | -76.5 | -166.3 | -47.1 | 0 | 0 | 115.4 | |||||
| 705 | F | 31.1 | Very low | 33.7 | Very low | 184 Ų | 184 | 159.1 Ų | 159.1 | 81% | 0.807 | 82% | 0.821 | S | S | * | * | trans | 1.2 | 124.8 | 159.3 | -60.7 | -91 | 0 | 0 | 0 | 119.6 | ||||
| 706 | S | 31.7 | Very low | 34 | Very low | 115 Ų | 115 | 165.9 Ų | 165.9 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -150.9 | 117.9 | 132.6 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 707 | H | 32.1 | Very low | 34.3 | Very low | 169 Ų | 169 | 174 Ų | 174 | 78% | 0.782 | 83% | 0.832 | S | S | * | * | trans | -73.5 | 142.5 | 164.3 | -64.7 | -103.5 | 0 | 0 | 0 | 108.4 | ||||
| 708 | R | 31.3 | Very low | 34.3 | Very low | 254 Ų | 254 | 172.7 Ų | 172.7 | 96% | 0.958 | 84% | 0.835 | S | S | * | * | trans | -129 | 128.9 | 152.4 | -100.4 | -169.9 | 175.9 | -157.7 | -1.8 | 110.1 | ||||
| 709 | A | 32.4 | Very low | 34.1 | Very low | 95 Ų | 95 | 168.1 Ų | 168.1 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | -91.5 | 162.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 710 | I | 36.5 | Very low | 34.3 | Very low | 146 Ų | 146 | 167.2 Ų | 167.2 | 75% | 0.749 | 83% | 0.832 | S | S | * | * | trans | -65.2 | 133.9 | 169.7 | -59.8 | 151.7 | 0 | 0 | 0 | 109.3 | Q712 | I710-Q712 HydrophobicContact CG2-CG 4.05Š| ||
| 711 | P | 39.5 | Very low | 34.6 | Very low | 128 Ų | 128 | 168.1 Ų | 168.1 | 83% | 0.831 | 84% | 0.836 | S | S | * | * | trans | -83 | 111.3 | 158.7 | 31.8 | -28.3 | 0 | 0 | 0 | 109.5 | ||||
| 712 | Q | 34.3 | Very low | 34.8 | Very low | 183 Ų | 183 | 168.6 Ų | 168.6 | 86% | 0.855 | 84% | 0.839 | S | S | * | * | trans | -101.4 | 146.6 | 165.5 | -86.9 | -164 | -16.3 | 0 | 0 | 110.8 | I710 | I710-Q712 HydrophobicContact CG2-CG 4.05Š| ||
| 713 | G | 32.3 | Very low | 35.1 | Very low | 76 Ų | 76 | 169.7 Ų | 169.7 | 78% | 0.784 | 84% | 0.844 | S | S | * | * | trans | 77.8 | 97.7 | 149.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 714 | V | 33 | Very low | 35.3 | Very low | 141 Ų | 141 | 164.9 Ų | 164.9 | 86% | 0.855 | 84% | 0.84 | S | S | * | * | trans | -122.5 | 125 | 145.8 | 177.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 715 | T | 36.7 | Very low | 36.1 | Very low | 131 Ų | 131 | 162.6 Ų | 162.6 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -77.2 | 143.3 | 178.2 | 45.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 716 | R | 36.6 | Very low | 37.1 | Very low | 239 Ų | 239 | 159.8 Ų | 159.8 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | trans | -128.5 | 134.9 | 158.7 | -73.3 | -164.2 | 171.8 | -142.5 | -2.5 | 109.5 | ||||
| 717 | R | 38.5 | Very low | 37.7 | Very low | 246 Ų | 246 | 166.3 Ų | 166.3 | 93% | 0.928 | 85% | 0.846 | S | S | * | * | trans | -90.4 | 141.4 | 176.3 | -69.1 | 176.3 | 171.5 | 171.1 | -4.6 | 109.1 | ||||
| 718 | N | 34.7 | Very low | 38.1 | Very low | 169 Ų | 169 | 163.7 Ų | 163.7 | 90% | 0.904 | 85% | 0.847 | S | S | * | * | trans | -76.8 | 164.1 | 164.7 | -68 | -5.7 | 0 | 0 | 0 | 110.4 | ||||
| 719 | G | 32.2 | Very low | 39.3 | Very low | 73 Ų | 73 | 157.6 Ų | 157.6 | 75% | 0.753 | 84% | 0.84 | S | S | * | * | trans | 139.1 | 95.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 720 | K | 35.6 | Very low | 39.4 | Very low | 212 Ų | 212 | 166.7 Ų | 166.7 | 92% | 0.922 | 86% | 0.862 | S | S | * | * | trans | -173.8 | 77.8 | 150.2 | -107.8 | 170.6 | -176 | -176.8 | 0 | 110.4 | ||||
| 721 | E | 40.8 | Very low | 39.6 | Very low | 190 Ų | 190 | 167.7 Ų | 167.7 | 89% | 0.888 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 147.5 | 158.7 | -67 | 178.2 | 159.7 | 0 | 0 | 108.6 | ||
| 722 | Q | 41.7 | Very low | 39.6 | Very low | 197 Ų | 197 | 169.8 Ų | 169.8 | 92% | 0.921 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 129.5 | -179.7 | -73.2 | 179.1 | -42.8 | 0 | 0 | 110.8 | ||
| 723 | Y | 37.1 | Very low | 39.9 | Very low | 229 Ų | 229 | 169.1 Ų | 169.1 | 90% | 0.898 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 143.1 | 176 | -112.9 | -102.4 | 0 | 0 | 0 | 111.8 | ||
| 724 | V | 41 | Very low | 40.3 | Very low | 128 Ų | 128 | 174.5 Ų | 174.5 | 78% | 0.776 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 134.6 | 171.4 | 178.1 | 0 | 0 | 0 | 0 | 109.6 | ||
| 725 | P | 49.8 | Very low | 40.8 | Very low | 110 Ų | 110 | 176.6 Ų | 176.6 | 71% | 0.714 | 88% | 0.877 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 143.7 | 178.1 | 31.7 | -34.7 | 0 | 0 | 0 | 112.6 | ||
| 726 | P | 50.8 | Low | 41.1 | Very low | 125 Ų | 125 | 179.7 Ų | 179.7 | 81% | 0.812 | 88% | 0.881 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 150.3 | 175.6 | 32.6 | -34.8 | 0 | 0 | 0 | 112.6 | ||
| 727 | R | 44.3 | Very low | 41.4 | Very low | 252 Ų | 252 | 175.4 Ų | 175.4 | 95% | 0.951 | 88% | 0.88 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 146.9 | 168.1 | -74.8 | -177.6 | 171.1 | -171 | -3.6 | 111.3 | ||
| 728 | S | 42.1 | Very low | 41.6 | Very low | 113 Ų | 113 | 170 Ų | 170 | 79% | 0.79 | 88% | 0.876 | S | S | * | * | trans | -141.4 | 160.6 | 160.6 | 56.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 729 | P | 55.8 | Low | 42.2 | Very low | 127 Ų | 127 | 170.1 Ų | 170.1 | 83% | 0.825 | 87% | 0.874 | S | S | * | * | trans | -98.8 | 143.8 | -145.7 | 35.4 | -35.7 | 0 | 0 | 0 | 116.3 | ||||
| 730 | K | 34.9 | Very low | 43.1 | Very low | 285 Ų | 285 | 178.9 Ų | 178.9 | 100% | 1.239 | 89% | 0.885 | S | S | * | * | trans | -155.6 | 0 | 141.1 | -111.3 | 172.3 | -178.6 | 177.8 | 0 | 108.7 |
Retrieved 730 of 730 residues in 154.1 ms
(Link to these results)