| 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 | 38 | Very low | 42.1 | Very low | 241 Ų | 241 | 164.4 Ų | 164.4 | 100% | 1.187 | 82% | 0.818 | S | S | * | * | 0 | 114.1 | 0 | -61.9 | 161.2 | 176.2 | 0 | 0 | 107.6 | |||||
| 2 | E | 37.8 | Very low | 41.9 | Very low | 181 Ų | 181 | 166.2 Ų | 166.2 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | cis | -159.3 | 148.5 | -18.7 | -157.1 | 150.4 | -165.5 | 0 | 0 | 108 | ||||
| 3 | N | 36.6 | Very low | 41.5 | Very low | 148 Ų | 148 | 168.4 Ų | 168.4 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -78.6 | 135.6 | 179.7 | -79.8 | 2.9 | 0 | 0 | 0 | 110.5 | ||||
| 4 | V | 48.5 | Very low | 41.5 | Very low | 132 Ų | 132 | 164.4 Ų | 164.4 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | trans | -125.1 | 95.7 | 155 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 5 | E | 42.2 | Very low | 41.5 | Very low | 127 Ų | 127 | 162.4 Ų | 162.4 | 59% | 0.593 | 80% | 0.797 | S | S | * | * | trans | -92.7 | 122.9 | 176 | -173.6 | -171.7 | 148.7 | 0 | 0 | 108.5 | R7 | E5-R7 IonicContact OE1-CZ 3.47Å; E5-R7 IonicContact OE1-NE 2.83Å; E5-R7 PolarHBondContact OE1-NE 3.27Å; E5-R7 IonicContact OE1-NH2 2.72Å; E5-R7 PolarHBondContact OE1-NH2 2.85Å; E5-R7 IonicContact OE2-NH2 3.37Å | ||
| 6 | L | 45.5 | Very low | 41.4 | Very low | 158 Ų | 158 | 161.6 Ų | 161.6 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | -123.2 | 106.2 | 176.7 | -99.7 | 166.9 | 0 | 0 | 0 | 110.7 | ||||
| 7 | R | 41.1 | Very low | 41.1 | Very low | 191 Ų | 191 | 156.6 Ų | 156.6 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -84.4 | 142.4 | 177.2 | -57.1 | 175.6 | -173.8 | 164.4 | 5.3 | 109.8 | E5 | E5-R7 IonicContact OE1-CZ 3.47Å; E5-R7 IonicContact OE1-NE 2.83Å; E5-R7 PolarHBondContact OE1-NE 3.27Å; E5-R7 IonicContact OE1-NH2 2.72Å; E5-R7 PolarHBondContact OE1-NH2 2.85Å; E5-R7 IonicContact OE2-NH2 3.37Å | ||
| 8 | I | 46.9 | Very low | 40.9 | Very low | 172 Ų | 172 | 158.4 Ų | 158.4 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -124.4 | 119.4 | 164.3 | -61.9 | -179.1 | 0 | 0 | 0 | 107.3 | ||||
| 9 | T | 41.5 | Very low | 40.8 | Very low | 121 Ų | 121 | 158.3 Ų | 158.3 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | -98.8 | 170.7 | -172.6 | 8.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 10 | D | 40 | Very low | 41.1 | Very low | 145 Ų | 145 | 157.5 Ų | 157.5 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | -47.9 | 147.7 | -174.1 | -59.7 | -98.3 | 0 | 0 | 0 | 117.1 | ||||
| 11 | K | 45 | Very low | 41 | Very low | 192 Ų | 192 | 154.6 Ų | 154.6 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | trans | -135.5 | 86.6 | 153 | -73.7 | -168.8 | 177.2 | 177.8 | 0 | 111.2 | ||||
| 12 | K | 40 | Very low | 41.4 | Very low | 186 Ų | 186 | 149.2 Ų | 149.2 | 81% | 0.809 | 75% | 0.754 | S | S | * | * | trans | -80.4 | 124.9 | 161.4 | 179.6 | -178.8 | 179.1 | -178.7 | 0 | 108.4 | V14 | K12-V14 HydrophobicContact CG-CG2 4.43Š| ||
| 13 | Y | 37 | Very low | 41.7 | Very low | 195 Ų | 195 | 148.2 Ų | 148.2 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | trans | -110.6 | 136.4 | 170.3 | -107.1 | -93.4 | 0 | 0 | 0 | 110 | L15 | Y13-L15 HydrophobicContact CD1-CD1 4.31Å; Y13-L15 HydrophobicContact CD1-CG 4.5Å; Y13-L15 HydrophobicContact CE1-CD1 4.45Å | ||
| 14 | V | 40.3 | Very low | 42.1 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 69% | 0.685 | 75% | 0.748 | S | S | * | * | trans | -135.8 | 121 | 172.8 | 175.9 | 0 | 0 | 0 | 0 | 106.9 | K12 | K12-V14 HydrophobicContact CG-CG2 4.43Š| ||
| 15 | L | 42.2 | Very low | 42 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | trans | -157.4 | 142.5 | 174.4 | -69.4 | 176.6 | 0 | 0 | 0 | 105.9 | Y13 | Y13-L15 HydrophobicContact CD1-CD1 4.31Å; Y13-L15 HydrophobicContact CD1-CG 4.5Å; Y13-L15 HydrophobicContact CE1-CD1 4.45Å | ||
| 16 | D | 40.3 | Very low | 42 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | cis | -154.9 | 165.8 | -25.2 | -140.6 | -33 | 0 | 0 | 0 | 107 | ||||
| 17 | A | 35.8 | Very low | 41.7 | Very low | 76 Ų | 76 | 146.2 Ų | 146.2 | 63% | 0.628 | 76% | 0.756 | S | S | * | * | trans | -129.4 | 139.1 | -176 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 18 | H | 38.4 | Very low | 41.9 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | trans | -180 | 166.2 | 147.6 | -101 | -61.8 | 0 | 0 | 0 | 112.5 | ||||
| 19 | L | 39.1 | Very low | 42.2 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | 74.4 | 131.3 | 174.4 | -54.4 | 168.7 | 0 | 0 | 0 | 116.3 | ||||
| 20 | K | 45.2 | Very low | 42.2 | Very low | 142 Ų | 142 | 143.6 Ų | 143.6 | 62% | 0.617 | 75% | 0.751 | S | S | * | * | cis | -165.3 | 145 | -18.5 | -157.2 | 175.7 | 168.3 | -91.2 | 0 | 109.2 | D22 | K20-D22 IonicContact NZ-OD1 2.7Å; K20-D22 PolarHBondContact NZ-OD1 3.47Å; K20-D22 IonicContact NZ-OD2 3.71Å; K20-D22 PolarHBondContact NZ-OD2 3.43Å | ||
| 21 | P | 39.7 | Very low | 42.6 | Very low | 96 Ų | 96 | 143.3 Ų | 143.3 | 62% | 0.623 | 75% | 0.749 | S | S | * | * | trans | -104 | 154.9 | 167.1 | 39.7 | -32.3 | 0 | 0 | 0 | 111.8 | ||||
| 22 | D | 47.3 | Very low | 42.8 | Very low | 129 Ų | 129 | 140.8 Ų | 140.8 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | trans | -152.9 | 152 | 169.1 | -66.1 | -81.6 | 0 | 0 | 0 | 106.3 | K20 | K20-D22 IonicContact NZ-OD1 2.7Å; K20-D22 PolarHBondContact NZ-OD1 3.47Å; K20-D22 IonicContact NZ-OD2 3.71Å; K20-D22 PolarHBondContact NZ-OD2 3.43Å | ||
| 23 | E | 43 | Very low | 43.1 | Very low | 160 Ų | 160 | 136.4 Ų | 136.4 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -125.1 | -175.1 | -137.8 | -48.8 | -59.7 | -29.5 | 0 | 0 | 119.2 | ||||
| 24 | A | 44.6 | Very low | 43.8 | Very low | 94 Ų | 94 | 134 Ų | 134 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | trans | 82.8 | 161.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 25 | E | 48 | Very low | 43.9 | Very low | 170 Ų | 170 | 137 Ų | 137 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | cis | -157.4 | 131.2 | -3.8 | -124.9 | 169.8 | 161.3 | 0 | 0 | 107.5 | ||||
| 26 | E | 40.5 | Very low | 44.2 | Very low | 193 Ų | 193 | 138.8 Ų | 138.8 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | 75 | 154.2 | 96.8 | -62.2 | -156.6 | -173 | 0 | 0 | 120.1 | |||||
| 27 | G | 41 | Very low | 45 | Very low | 66 Ų | 66 | 138.5 Ų | 138.5 | 68% | 0.68 | 75% | 0.747 | S | S | * | * | trans | 105.4 | 112.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 28 | E | 44.6 | Very low | 45.5 | Very low | 184 Ų | 184 | 141 Ų | 141 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | 68.1 | 135.2 | 52.4 | -65.4 | -147.1 | 96.4 | 0 | 0 | 114.7 | |||||
| 29 | V | 52.6 | Low | 46.1 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 61% | 0.606 | 75% | 0.745 | S | S | * | * | cis | -162.1 | 170.7 | -7.6 | -100.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 30 | N | 42.8 | Very low | 46.5 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | trans | 75.7 | 144.6 | 159 | -56.1 | -29.5 | 0 | 0 | 0 | 118.6 | ||||
| 31 | D | 47.7 | Very low | 46.6 | Very low | 139 Ų | 139 | 134.6 Ų | 134.6 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | cis | 135.3 | 163.8 | -10.3 | -172.6 | 32.2 | 0 | 0 | 0 | 110.8 | ||||
| 32 | L | 47.8 | Very low | 46.7 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | trans | 79.2 | 115.5 | -176.5 | -49.6 | -178.2 | 0 | 0 | 0 | 114.3 | ||||
| 33 | S | 48.2 | Very low | 46.6 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 65% | 0.65 | 75% | 0.75 | S | S | * | * | 86.2 | 145.5 | 70.5 | -71.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 34 | D | 51.1 | Low | 46.6 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | cis | -167.5 | -167.5 | -15.2 | -102.1 | -45.6 | 0 | 0 | 0 | 108.1 | ||||
| 35 | Q | 42.8 | Very low | 46.4 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | 78.2 | 116.6 | 164.1 | -159.2 | 167.1 | 19.9 | 0 | 0 | 116.1 | ||||
| 36 | E | 48.8 | Very low | 46 | Very low | 173 Ų | 173 | 134.9 Ų | 134.9 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | cis | 88.5 | 109.3 | 30.4 | -59.9 | -155.5 | 154.2 | 0 | 0 | 116.9 | ||||
| 37 | D | 56.3 | Low | 46 | Very low | 143 Ų | 143 | 129.6 Ų | 129.6 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | trans | -173.1 | 141.1 | 150 | -95.3 | -32 | 0 | 0 | 0 | 108.8 | ||||
| 38 | N | 45.5 | Very low | 45.8 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 70% | 0.695 | 76% | 0.757 | S | S | * | * | cis | 84.3 | 137 | 44 | -65.5 | -40.5 | 0 | 0 | 0 | 113.8 | ||||
| 39 | V | 52.3 | Low | 45.6 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | cis | -166.4 | 165.9 | -11.4 | -92 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 40 | S | 47.7 | Very low | 44.9 | Very low | 89 Ų | 89 | 134.4 Ų | 134.4 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | cis | -172.4 | 146.3 | -20.4 | 54.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 41 | D | 46.6 | Very low | 44.7 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | trans | 65.2 | 164.1 | 153.1 | -73.3 | -44.8 | 0 | 0 | 0 | 124.5 | ||||
| 42 | F | 42.6 | Very low | 44.3 | Very low | 182 Ų | 182 | 137.1 Ų | 137.1 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | 76.7 | 152.4 | 160.3 | -52 | -65.4 | 0 | 0 | 0 | 120.7 | ||||
| 43 | S | 43.4 | Very low | 43.8 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | cis | -171.3 | 151.8 | -44.1 | -114.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 44 | S | 43.9 | Very low | 43 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | 66 | 114.9 | 145.3 | -64.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 45 | N | 40.1 | Very low | 42.6 | Very low | 149 Ų | 149 | 140.6 Ų | 140.6 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | 79.1 | 121.9 | 126.2 | -107.6 | 2 | 0 | 0 | 0 | 125.2 | |||||
| 46 | S | 40.6 | Very low | 42.4 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | 77.3 | 152.4 | 129.2 | 78.6 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 47 | G | 39.7 | Very low | 42.4 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 85% | 0.845 | 80% | 0.8 | S | S | * | * | trans | 140.3 | 125.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 48 | S | 37.5 | Very low | 41.9 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -131 | 134.9 | 174.3 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 49 | S | 40.1 | Very low | 41.7 | Very low | 123 Ų | 123 | 140.8 Ų | 140.8 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -169.5 | 157.7 | 159 | -89.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 50 | K | 37.1 | Very low | 41.5 | Very low | 209 Ų | 209 | 138 Ų | 138 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | -97.5 | 147.9 | 168.2 | -62.3 | 170.2 | 179.1 | 170.7 | 0 | 109.7 | ||||
| 51 | S | 39.6 | Very low | 41.5 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | trans | -156.5 | 175.2 | 146 | -157.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 52 | Y | 37.8 | Very low | 41.4 | Very low | 220 Ų | 220 | 142.7 Ų | 142.7 | 86% | 0.863 | 82% | 0.822 | S | S | * | * | trans | -93.8 | 154.2 | -170.5 | -67.9 | -104 | 0 | 0 | 0 | 112.8 | ||||
| 53 | N | 38.3 | Very low | 41.4 | Very low | 165 Ų | 165 | 139 Ų | 139 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | -107.8 | 130.8 | 160.1 | -83.5 | -26.9 | 0 | 0 | 0 | 109.5 | ||||
| 54 | N | 31.6 | Very low | 41.3 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -160.9 | 112.7 | 169.4 | -127.1 | 3.7 | 0 | 0 | 0 | 109.7 | ||||
| 55 | S | 42.9 | Very low | 41.2 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -175.5 | 125.2 | 157.5 | -83.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 56 | S | 39.1 | Very low | 41.3 | Very low | 120 Ų | 120 | 137.7 Ų | 137.7 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -75.9 | 161.4 | 160.9 | -54.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 57 | P | 47.9 | Very low | 41.3 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | -150.5 | 166.6 | 106.3 | 39.2 | -25.2 | 0 | 0 | 0 | 114.7 | |||||
| 58 | K | 44.8 | Very low | 41.8 | Very low | 207 Ų | 207 | 142.9 Ų | 142.9 | 90% | 0.9 | 81% | 0.806 | S | S | * | * | -155.2 | 139 | 129.8 | -82.2 | -139.3 | 175 | -171.9 | 0 | 110.5 | |||||
| 59 | H | 42 | Very low | 42.2 | Very low | 182 Ų | 182 | 142.1 Ų | 142.1 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -111.7 | 163.6 | 164.7 | -128.5 | -72.9 | 0 | 0 | 0 | 107.1 | D61 | H59-D61 IonicContact ND1-OD2 2.72Š| ||
| 60 | G | 47.8 | Very low | 42.8 | Very low | 68 Ų | 68 | 143.6 Ų | 143.6 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | 157.6 | 104.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 61 | D | 47.6 | Very low | 43.2 | Very low | 130 Ų | 130 | 141.3 Ų | 141.3 | 70% | 0.695 | 79% | 0.792 | S | S | * | * | trans | -119.3 | 127.5 | -179.6 | -49.3 | -65.5 | 0 | 0 | 0 | 109 | H59 | H59-D61 IonicContact ND1-OD2 2.72Š| ||
| 62 | E | 44.9 | Very low | 43.2 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 91% | 0.907 | 79% | 0.792 | S | S | * | * | trans | 58.3 | 130.9 | 159.3 | -36.1 | -163.8 | 142.3 | 0 | 0 | 118.5 | ||||
| 63 | S | 43.7 | Very low | 43.5 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | 178.4 | 130.8 | 68.8 | -177 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 64 | C | 41.5 | Very low | 43.7 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | 58.6 | 155.6 | 141.3 | -65.7 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 65 | T | 41.5 | Very low | 44.3 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | 76.7 | 143.1 | 163.3 | 71.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 66 | S | 41.6 | Very low | 44.3 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 62% | 0.615 | 78% | 0.782 | S | S | * | * | cis | -168.8 | 132.6 | -39 | -116.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 67 | E | 41.3 | Very low | 44.4 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 57 | 169.8 | 148.3 | -66.5 | 151.5 | 108.2 | 0 | 0 | 118.3 | ||||
| 68 | M | 49.3 | Very low | 44 | Very low | 145 Ų | 145 | 130 Ų | 130 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | cis | -148.2 | 135 | 0.9 | -153 | 117.4 | 57.9 | 0 | 0 | 107.1 | ||||
| 69 | S | 46.2 | Very low | 43.5 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | 157.5 | 110.3 | 93.8 | -178.2 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 70 | H | 51.7 | Low | 43.2 | Very low | 154 Ų | 154 | 126.9 Ų | 126.9 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | 86.1 | 139 | 76.4 | -81.5 | -66.7 | 0 | 0 | 0 | 116.7 | |||||
| 71 | N | 45.4 | Very low | 43.1 | Very low | 160 Ų | 160 | 132.6 Ų | 132.6 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | 71.5 | 130.4 | 174.3 | -54.1 | -24.2 | 0 | 0 | 0 | 117.1 | ||||
| 72 | G | 41 | Very low | 43.3 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 86% | 0.856 | 79% | 0.79 | S | S | * | * | cis | 162 | 129.4 | -8.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 73 | G | 44.1 | Very low | 42.9 | Very low | 82 Ų | 82 | 127.8 Ų | 127.8 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 168 | 68 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 74 | S | 42.1 | Very low | 43 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -80.8 | 141.8 | -174.5 | -52 | 0 | 0 | 0 | 0 | 114 | ||||
| 75 | S | 43.9 | Very low | 42.9 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -170.8 | 109.3 | 133.1 | -85.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 76 | L | 42.9 | Very low | 42.8 | Very low | 160 Ų | 160 | 137.5 Ų | 137.5 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | 69.1 | 150.2 | 133.3 | -57.3 | 172.7 | 0 | 0 | 0 | 123 | ||||
| 77 | S | 41.5 | Very low | 42.9 | Very low | 109 Ų | 109 | 141 Ų | 141 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | 68.1 | 57.1 | 158.5 | 41.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 78 | T | 38.8 | Very low | 42.8 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | 23.8 | 113.9 | 110.5 | -47.6 | 0 | 0 | 0 | 0 | 119 | |||||
| 79 | L | 35.6 | Very low | 42.3 | Very low | 164 Ų | 164 | 141.9 Ų | 141.9 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | trans | 55.6 | 104.3 | 141.7 | -129.4 | 79.7 | 0 | 0 | 0 | 120.3 | ||||
| 80 | N | 35.2 | Very low | 42.2 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | -158 | 154 | 113.3 | -140.7 | -27.4 | 0 | 0 | 0 | 113 | |||||
| 81 | K | 46.3 | Very low | 41.8 | Very low | 189 Ų | 189 | 146.9 Ų | 146.9 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | trans | -101.6 | 138.4 | 176 | -78.4 | -177.5 | 176.2 | 177.6 | 0 | 111.4 | S83 | K81-S83 PolarHBondContact O-N 2.71Š| ||
| 82 | P | 50.8 | Low | 41.8 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -72.5 | 100.2 | 172.8 | 29 | -33.1 | 0 | 0 | 0 | 111.9 | I84 | P82-I84 PolarHBondContact O-N 2.65Š| ||
| 83 | S | 37.4 | Very low | 42.1 | Very low | 97 Ų | 97 | 150.2 Ų | 150.2 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | trans | 7.2 | 101.6 | 157.2 | -163.6 | 0 | 0 | 0 | 0 | 118.4 | K81 | K81-S83 PolarHBondContact O-N 2.71Š| ||
| 84 | I | 45 | Very low | 41.9 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | trans | -86.7 | 112.7 | 158.4 | -62.3 | 176.4 | 0 | 0 | 0 | 108.4 | P82 H86 | P82-I84 PolarHBondContact O-N 2.65Å; I84-H86 PolarHBondContact O-N 3.25Å | ||
| 85 | R | 40.3 | Very low | 41.9 | Very low | 230 Ų | 230 | 153 Ų | 153 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | trans | -85.7 | 93.2 | 171.2 | -72.7 | -170.7 | 176.5 | -166.8 | -0.4 | 110.9 | I87 | R85-I87 PolarHBondContact O-N 2.97Š| ||
| 86 | H | 39.1 | Very low | 41.7 | Very low | 177 Ų | 177 | 157.1 Ų | 157.1 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 116.9 | 165.5 | -92.1 | -90.2 | 0 | 0 | 0 | 110.7 | I84 | I84-H86 PolarHBondContact O-N 3.25Š|
| 87 | I | 44.1 | Very low | 41.5 | Very low | 162 Ų | 162 | 157 Ų | 157 | 83% | 0.831 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 140.4 | 165 | -65.1 | -179.5 | 0 | 0 | 0 | 109 | R85 | R85-I87 PolarHBondContact O-N 2.97Š|
| 88 | R | 38.1 | Very low | 41.3 | Very low | 209 Ų | 209 | 156.7 Ų | 156.7 | 79% | 0.789 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 136.4 | -165.8 | -178 | 173.3 | -71.3 | 144.6 | -2.1 | 112.7 | ||
| 89 | V | 39.7 | Very low | 41.1 | Very low | 114 Ų | 114 | 158.5 Ų | 158.5 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 132 | 172.5 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | K91 | V89-K91 HydrophobicContact CG1-CG 4.18Š|
| 90 | H | 44.4 | Very low | 41.2 | Very low | 163 Ų | 163 | 157 Ų | 157 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -121.4 | 118.9 | 160.3 | -78.7 | -102.5 | 0 | 0 | 0 | 109.3 | ||||
| 91 | K | 41.6 | Very low | 41.3 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 87% | 0.87 | 79% | 0.788 | S | S | * | * | trans | -100.7 | 118.3 | 171.1 | -78.1 | -177.9 | 174.8 | 178.8 | 0 | 109 | V89 | V89-K91 HydrophobicContact CG1-CG 4.18Š| ||
| 92 | S | 45.3 | Very low | 40.9 | Very low | 118 Ų | 118 | 151.9 Ų | 151.9 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -111.6 | 144.2 | 169.8 | -62.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 93 | K | 47.6 | Very low | 40.2 | Very low | 196 Ų | 196 | 151.7 Ų | 151.7 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | trans | -86.9 | 151.9 | -169.8 | -63.3 | 175.9 | -177.5 | 175.4 | 0 | 111.9 | ||||
| 94 | P | 39.7 | Very low | 40.3 | Very low | 130 Ų | 130 | 151.9 Ų | 151.9 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | trans | -75.2 | 149.6 | 172.3 | 32.7 | -35.2 | 0 | 0 | 0 | 111.5 | ||||
| 95 | V | 43.7 | Very low | 40 | Very low | 130 Ų | 130 | 152 Ų | 152 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | trans | -104.2 | 126.1 | 172.1 | 173.9 | 0 | 0 | 0 | 0 | 109.1 | I97 | V95-I97 HydrophobicContact CG1-CG1 4.17Š| ||
| 96 | K | 39.4 | Very low | 39.8 | Very low | 193 Ų | 193 | 148.3 Ų | 148.3 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -91.5 | 149.5 | 159.3 | -77.5 | -173.3 | 172.1 | -171.2 | 0 | 108.8 | ||||
| 97 | I | 37 | Very low | 39.8 | Very low | 158 Ų | 158 | 144 Ų | 144 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -126.2 | 123.5 | 162.2 | -60 | 176.2 | 0 | 0 | 0 | 106.7 | V95 | V95-I97 HydrophobicContact CG1-CG1 4.17Š| ||
| 98 | T | 38.6 | Very low | 39.3 | Very low | 102 Ų | 102 | 142.8 Ų | 142.8 | 63% | 0.626 | 76% | 0.756 | S | S | * | * | trans | -154.8 | 100.5 | 178.4 | -48.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 99 | E | 33.5 | Very low | 39.4 | Very low | 167 Ų | 167 | 139.2 Ų | 139.2 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | 55.1 | 159.4 | 144.1 | -55.2 | -174.4 | 127.6 | 0 | 0 | 122.8 | ||||
| 100 | T | 37.7 | Very low | 39.4 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 69 | 140.9 | 162.4 | 28.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 101 | T | 37.3 | Very low | 39.4 | Very low | 115 Ų | 115 | 136.8 Ų | 136.8 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | cis | -158.5 | 155 | 3.8 | -19.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 102 | V | 37.8 | Very low | 39.4 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | 54.2 | 142 | 136.8 | 147.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 103 | V | 37.5 | Very low | 39.1 | Very low | 120 Ų | 120 | 137 Ų | 137 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | cis | -171.3 | 176 | -17.2 | 87.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 104 | S | 38 | Very low | 38.8 | Very low | 101 Ų | 101 | 132.6 Ų | 132.6 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 71.6 | 152.1 | 164.3 | -83.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 105 | K | 39.2 | Very low | 38.8 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | cis | -171.6 | 145.6 | -24.8 | -146.2 | 169.7 | 170.5 | -90.2 | 0 | 108.7 | ||||
| 106 | E | 36.4 | Very low | 38.7 | Very low | 151 Ų | 151 | 133.1 Ų | 133.1 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | 60.6 | 154.2 | 155.8 | -80.1 | 152.2 | 170.2 | 0 | 0 | 119.2 | ||||
| 107 | S | 38.3 | Very low | 38.7 | Very low | 88 Ų | 88 | 130.7 Ų | 130.7 | 62% | 0.615 | 73% | 0.727 | S | S | * | * | cis | -164 | 170.7 | -9.4 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 108 | N | 34.9 | Very low | 39 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | trans | 80.7 | 124.2 | 142.6 | -72.6 | -34 | 0 | 0 | 0 | 124.5 | ||||
| 109 | T | 39.5 | Very low | 38.9 | Very low | 135 Ų | 135 | 135.5 Ų | 135.5 | 83% | 0.828 | 74% | 0.736 | S | S | * | * | trans | 80.9 | 126.1 | 135.1 | 49.3 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 110 | S | 39.8 | Very low | 39.1 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | -81.1 | 177.4 | 164.7 | -32.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 111 | P | 45.6 | Very low | 38.9 | Very low | 114 Ų | 114 | 133 Ų | 133 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | -140.6 | 143.8 | 105.2 | 20.9 | 0.7 | 0 | 0 | 0 | 115.3 | |||||
| 112 | V | 41.2 | Very low | 38.7 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | 64.9 | 122 | 98.3 | -168.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 113 | Y | 39 | Very low | 38.4 | Very low | 210 Ų | 210 | 133.4 Ų | 133.4 | 82% | 0.824 | 73% | 0.732 | S | S | * | * | -174.2 | 157.1 | 86.5 | -89.2 | -89.8 | 0 | 0 | 0 | 108.5 | |||||
| 114 | T | 40.8 | Very low | 38 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 64% | 0.644 | 73% | 0.732 | S | S | * | * | cis | -160.7 | 145.9 | -20.8 | 10.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 115 | K | 39.8 | Very low | 37.7 | Very low | 192 Ų | 192 | 135.7 Ų | 135.7 | 84% | 0.835 | 74% | 0.735 | S | S | * | * | 44.2 | 145.1 | 105 | -73.8 | -159.9 | 171.5 | -168.7 | 0 | 119.8 | |||||
| 116 | S | 41.7 | Very low | 37.4 | Very low | 79 Ų | 79 | 135 Ų | 135 | 55% | 0.552 | 73% | 0.734 | S | S | * | * | cis | -176.3 | 168.4 | -19.3 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 117 | D | 40.4 | Very low | 37.1 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | trans | 65.8 | 163.2 | 157.2 | -54.9 | -63.2 | 0 | 0 | 0 | 119 | ||||
| 118 | V | 41.7 | Very low | 36.9 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | cis | -148 | 143.2 | 16.1 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 119 | R | 37.4 | Very low | 36.8 | Very low | 244 Ų | 244 | 136.1 Ų | 136.1 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | trans | 57.4 | 164.6 | 165.9 | -99.3 | 81.2 | 178.2 | -108.8 | -4.8 | 117.9 | ||||
| 120 | G | 37.4 | Very low | 36.8 | Very low | 64 Ų | 64 | 135.8 Ų | 135.8 | 66% | 0.66 | 74% | 0.736 | S | S | * | * | cis | 159.1 | 116.5 | -15.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 121 | Q | 34.6 | Very low | 36.7 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 85% | 0.846 | 74% | 0.735 | S | S | * | * | trans | 76.5 | 128.4 | 140 | -92.3 | -168.9 | 17 | 0 | 0 | 123.9 | ||||
| 122 | I | 31.4 | Very low | 36.3 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | trans | 54.2 | 129.2 | 151.6 | 21.1 | 172.1 | 0 | 0 | 0 | 124.3 | ||||
| 123 | S | 31.6 | Very low | 36.3 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | 89.7 | 148.2 | 128.7 | -167.5 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 124 | S | 30.6 | Very low | 36 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | trans | 68.4 | 104.7 | 147.9 | 36.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 125 | H | 31.4 | Very low | 36 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | 88 | 154.9 | 117.9 | -143.3 | -125.1 | 0 | 0 | 0 | 120.1 | |||||
| 126 | E | 32.1 | Very low | 35.7 | Very low | 136 Ų | 136 | 133.8 Ų | 133.8 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | trans | 57.8 | 108.7 | 160.3 | -90.2 | 174.1 | 118.7 | 0 | 0 | 123.3 | ||||
| 127 | N | 30.7 | Very low | 35.4 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | 59.5 | 134.8 | 107.8 | -77 | -15.7 | 0 | 0 | 0 | 122.8 | |||||
| 128 | Q | 34.1 | Very low | 34.9 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | 88.5 | 124.4 | 129.4 | -85.9 | -173.4 | 81.9 | 0 | 0 | 122.3 | |||||
| 129 | T | 31.6 | Very low | 34.4 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | 68.2 | 143.5 | 154.5 | 70.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 130 | T | 40 | Very low | 34 | Very low | 128 Ų | 128 | 134.7 Ų | 134.7 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | cis | -156.2 | 171.6 | 40 | 38.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 131 | K | 37.8 | Very low | 33.6 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | cis | -174.6 | 172.4 | -25.6 | -178.6 | 172.3 | 178.6 | -179.9 | 0 | 106.6 | ||||
| 132 | L | 37.8 | Very low | 33.6 | Very low | 131 Ų | 131 | 131.8 Ų | 131.8 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | trans | 81.3 | 136.3 | 172.1 | -44.7 | 171.5 | 0 | 0 | 0 | 114.8 | ||||
| 133 | Q | 39.5 | Very low | 33.7 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 78% | 0.776 | 74% | 0.736 | S | S | * | * | cis | -152.8 | 135.1 | -14.2 | -118 | 166.8 | -16.1 | 0 | 0 | 107.4 | ||||
| 134 | S | 34.4 | Very low | 34 | Very low | 99 Ų | 99 | 132 Ų | 132 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | 64.1 | 129.2 | 100.8 | -154.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 135 | V | 39.2 | Very low | 33.9 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | cis | -143.2 | 129.3 | 26 | 170.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 136 | V | 34.9 | Very low | 34 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 64% | 0.642 | 74% | 0.74 | S | S | * | * | 73.1 | 89.4 | 55.7 | -176.1 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 137 | N | 35.6 | Very low | 33.9 | Very low | 153 Ų | 153 | 132 Ų | 132 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | 177.3 | 158.6 | 131.6 | -92.6 | -26.4 | 0 | 0 | 0 | 110.8 | ||||
| 138 | C | 30 | Very low | 33.8 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | cis | 168.6 | 117.7 | -47 | -98.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 139 | A | 31.1 | Very low | 33.7 | Very low | 95 Ų | 95 | 136.5 Ų | 136.5 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | 78.6 | 149 | 142.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 140 | R | 28 | Very low | 33.5 | Very low | 249 Ų | 249 | 136.7 Ų | 136.7 | 94% | 0.94 | 75% | 0.753 | S | S | * | * | trans | 75.8 | 146.7 | 153.2 | -124.3 | 159 | -175 | 157.1 | 1.9 | 117.2 | ||||
| 141 | A | 29.6 | Very low | 33 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 66% | 0.661 | 76% | 0.757 | S | S | * | * | cis | 175.6 | 178.7 | -39.3 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 142 | S | 33.7 | Very low | 32.5 | Very low | 103 Ų | 103 | 135.8 Ų | 135.8 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | 68 | 150.1 | 174.7 | -70.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 143 | D | 33.1 | Very low | 32.3 | Very low | 145 Ų | 145 | 138.5 Ų | 138.5 | 78% | 0.775 | 76% | 0.757 | S | S | * | * | cis | -154.4 | 176.8 | -16.2 | -106 | -39.5 | 0 | 0 | 0 | 109 | ||||
| 144 | P | 39.3 | Very low | 32 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 72% | 0.721 | 76% | 0.756 | S | S | * | * | trans | -109.1 | -166.7 | -154.6 | 43.2 | -40.1 | 0 | 0 | 0 | 116.3 | ||||
| 145 | Q | 28.9 | Very low | 31.8 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | 86.4 | 120.3 | 153.5 | -166.2 | 177.2 | 23.6 | 0 | 0 | 118.6 | ||||
| 146 | M | 32.4 | Very low | 31.3 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | -169.6 | 161.8 | 119.4 | -100.6 | -54.9 | -74.6 | 0 | 0 | 113.2 | |||||
| 147 | S | 30.6 | Very low | 31.2 | Very low | 79 Ų | 79 | 141.4 Ų | 141.4 | 55% | 0.552 | 77% | 0.767 | S | S | * | * | trans | -29 | 138.8 | -175 | -70.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 148 | E | 27.8 | Very low | 30.8 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | cis | 85.9 | 105.3 | 44.9 | -178.9 | -167.9 | -167 | 0 | 0 | 113.3 | ||||
| 149 | Q | 33 | Very low | 30.9 | Very low | 199 Ų | 199 | 141.8 Ų | 141.8 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -153.7 | 112.7 | 142.7 | -129 | 170.8 | 70.6 | 0 | 0 | 108.5 | ||||
| 150 | V | 26.5 | Very low | 31 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -119.5 | 116.4 | 174.2 | 174.6 | 0 | 0 | 0 | 0 | 107 | ||||
| 151 | E | 31.1 | Very low | 31.3 | Very low | 183 Ų | 183 | 139.7 Ų | 139.7 | 86% | 0.855 | 76% | 0.756 | S | S | * | * | trans | -112.1 | 137 | 168.6 | -164.5 | 166 | -134.4 | 0 | 0 | 109.4 | ||||
| 152 | T | 27 | Very low | 31.6 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 63% | 0.632 | 77% | 0.765 | S | S | * | * | trans | -127.4 | 117.2 | -158.1 | -54 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 153 | F | 33.4 | Very low | 31.9 | Very low | 188 Ų | 188 | 146 Ų | 146 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -127.2 | 85.9 | 173.9 | -87 | -77 | 0 | 0 | 0 | 114.1 | ||||
| 154 | H | 33.6 | Very low | 32.1 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | trans | 42.3 | 99.6 | 138.2 | -95.2 | -99.7 | 0 | 0 | 0 | 121.6 | ||||
| 155 | T | 29.2 | Very low | 31.9 | Very low | 136 Ų | 136 | 148 Ų | 148 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | 7.6 | 113.8 | 123.5 | -51.6 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 156 | S | 29.4 | Very low | 32.5 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 174 | 138.5 | 149.8 | 175.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 157 | M | 31.7 | Very low | 32.6 | Very low | 150 Ų | 150 | 139 Ų | 139 | 74% | 0.739 | 73% | 0.734 | S | S | * | * | cis | -157.1 | 141.4 | -17.5 | -100 | -132.9 | -58.1 | 0 | 0 | 111 | ||||
| 158 | F | 27.8 | Very low | 33 | Very low | 184 Ų | 184 | 140.2 Ų | 140.2 | 81% | 0.807 | 73% | 0.734 | S | S | * | * | trans | 53.5 | 109.6 | 144.5 | -75.9 | -104.6 | 0 | 0 | 0 | 124.4 | ||||
| 159 | A | 31.1 | Very low | 33.8 | Very low | 81 Ų | 81 | 139.4 Ų | 139.4 | 67% | 0.669 | 72% | 0.723 | S | S | * | * | 64.5 | 99.7 | 116.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 160 | K | 33.6 | Very low | 34.6 | Very low | 214 Ų | 214 | 133.5 Ų | 133.5 | 93% | 0.93 | 70% | 0.698 | S | S | * | * | trans | -165.4 | 146.8 | 139.4 | -88.3 | 128.2 | -174 | 175.4 | 0 | 106.9 | ||||
| 161 | S | 35.5 | Very low | 35.5 | Very low | 85 Ų | 85 | 133 Ų | 133 | 59% | 0.594 | 69% | 0.691 | S | S | * | * | cis | -147.8 | 118.7 | -3.3 | 175 | 0 | 0 | 0 | 0 | 109.8 | K163 | S161-K163 PolarHBondContact O-N 3.38Š| ||
| 162 | T | 36.1 | Very low | 36.3 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 87% | 0.865 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 5.1 | 178.6 | 30.8 | 0 | 0 | 0 | 0 | 114.5 | ||
| 163 | K | 39.4 | Very low | 37.5 | Very low | 176 Ų | 176 | 132.4 Ų | 132.4 | 77% | 0.765 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -17.2 | -170.9 | -61.8 | -169.7 | 176.5 | -172.3 | 0 | 115.3 | S161 | S161-K163 PolarHBondContact O-N 3.38Š|
| 164 | H | 36.4 | Very low | 38.3 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 74% | 0.736 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | -33.1 | -175.6 | -164.3 | -18.4 | 0 | 0 | 0 | 113.3 | Q166 | H164-Q166 VanDerWaalsContact C-N 3.33Å; H164-Q166 PolarHBondContact O-N 2.91Å |
| 165 | L | 36.2 | Very low | 39 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 73% | 0.728 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | -14.4 | -174.7 | -91.6 | 164.6 | 0 | 0 | 0 | 114.7 | ||
| 166 | Q | 40.1 | Very low | 40 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 43% | 0.43 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79 | -47 | -179.7 | -172.6 | 56.5 | 31.4 | 0 | 0 | 111.8 | H164 L168 R169 D170 | H164-Q166 VanDerWaalsContact C-N 3.33Å; H164-Q166 PolarHBondContact O-N 2.91Å; Q166-L168 PolarHBondContact O-N 3.11Å; Q166-L168 VanDerWaalsContact O-N 3.08Å; Q166-R169 PolarHBondContact O-N 2.85Å; Q166-R169 VanDerWaalsContact OE1-NH2 3.16Å; Q166-D170 PolarHBondContact O-N 3.32Å |
| 167 | G | 35.8 | Very low | 40.8 | Very low | 45 Ų | 45 | 124.3 Ų | 124.3 | 46% | 0.464 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.4 | -17.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L171 | G167-L171 PolarHBondContact O-N 2.86Å |
| 168 | L | 38.3 | Very low | 41.5 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 56% | 0.555 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -72.1 | -31.8 | 172.6 | -77.5 | 167.9 | 0 | 0 | 0 | 112.8 | Q166 E172 | Q166-L168 PolarHBondContact O-N 3.11Å; Q166-L168 VanDerWaalsContact O-N 3.08Å; L168-E172 PolarHBondContact O-N 3.17Å |
| 169 | R | 45.4 | Very low | 42.4 | Very low | 151 Ų | 151 | 121.2 Ų | 121.2 | 57% | 0.57 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -82.9 | -24.1 | 177.5 | -66.4 | -165.9 | -62.7 | -167.8 | -0.3 | 113.1 | Q166 K173 | Q166-R169 PolarHBondContact O-N 2.85Å; Q166-R169 VanDerWaalsContact OE1-NH2 3.16Å; R169-K173 WeakPolarHBondContact O-CG 2.78Å; R169-K173 PolarHBondContact O-N 3.34Å |
| 170 | D | 48.9 | Very low | 43.1 | Very low | 76 Ų | 76 | 123.7 Ų | 123.7 | 41% | 0.406 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -74.4 | -33.5 | 173.7 | -58.9 | -40.5 | 0 | 0 | 0 | 110.8 | Q166 K173 V174 | Q166-D170 PolarHBondContact O-N 3.32Å; D170-K173 PolarHBondContact O-N 3.19Å; D170-V174 WeakPolarHBondContact O-CG2 3.25Å; D170-V174 PolarHBondContact O-N 2.97Å |
| 171 | L | 45.5 | Very low | 43.5 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 60% | 0.602 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.1 | -42.3 | 173.6 | -157.1 | 74.6 | 0 | 0 | 0 | 112.6 | G167 K173 V174 Q175 | G167-L171 PolarHBondContact O-N 2.86Å; L171-K173 VanDerWaalsContact C-N 3.31Å; L171-K173 PolarHBondContact O-N 3.26Å; L171-V174 PolarHBondContact O-N 3.39Å; L171-Q175 PolarHBondContact O-N 3.11Å |
| 172 | E | 48.3 | Very low | 43.5 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 59% | 0.589 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -60.7 | -38.8 | 174.7 | -174.2 | 173.3 | -141.2 | 0 | 0 | 111.8 | L168 Q175 L176 | L168-E172 PolarHBondContact O-N 3.17Å; E172-Q175 PolarHBondContact O-N 3.11Å; E172-L176 WeakPolarHBondContact O-CG 3.37Å; E172-L176 PolarHBondContact O-N 3.08Å |
| 173 | K | 51.6 | Low | 43.3 | Very low | 147 Ų | 147 | 124.2 Ų | 124.2 | 64% | 0.639 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -67.1 | -42.7 | 173.2 | -78.1 | -176 | 173 | -170.4 | 0 | 113.5 | R169 D170 L171 Q175 L176 Q177 | R169-K173 WeakPolarHBondContact O-CG 2.78Å; R169-K173 PolarHBondContact O-N 3.34Å; D170-K173 PolarHBondContact O-N 3.19Å; L171-K173 VanDerWaalsContact C-N 3.31Å; L171-K173 PolarHBondContact O-N 3.26Å; K173-Q175 VanDerWaalsContact C-N 3.28Å; K173-Q175 PolarHBondContact O-N 2.92Å; K173-L176 PolarHBondContact O-N 3.5Å; K173-Q177 WeakPolarHBondContact O-CB 3.49Å; K173-Q177 PolarHBondContact O-N 2.72Å |
| 174 | V | 50.5 | Low | 43 | Very low | 94 Ų | 94 | 124.9 Ų | 124.9 | 57% | 0.57 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.5 | -38.3 | 176.1 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | D170 L171 Q177 M178 | D170-V174 WeakPolarHBondContact O-CG2 3.25Å; D170-V174 PolarHBondContact O-N 2.97Å; L171-V174 PolarHBondContact O-N 3.39Å; V174-Q177 PolarHBondContact O-N 3.06Å; V174-M178 WeakPolarHBondContact O-CB 3.15Å; V174-M178 PolarHBondContact O-N 3.19Å |
| 175 | Q | 48.3 | Very low | 42.6 | Very low | 114 Ų | 114 | 122.6 Ų | 122.6 | 53% | 0.533 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.5 | -40.3 | 177.2 | -168.2 | 161 | -12 | 0 | 0 | 112.3 | L171 E172 K173 M178 Q179 | L171-Q175 PolarHBondContact O-N 3.11Å; E172-Q175 PolarHBondContact O-N 3.11Å; K173-Q175 VanDerWaalsContact C-N 3.28Å; K173-Q175 PolarHBondContact O-N 2.92Å; Q175-M178 PolarHBondContact O-N 2.83Å; Q175-Q179 PolarHBondContact O-N 3.03Å; Q175-Q179 VanDerWaalsContact O-N 3.1Å |
| 176 | L | 49.7 | Very low | 42.5 | Very low | 108 Ų | 108 | 125.3 Ų | 125.3 | 57% | 0.565 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -67.7 | -34.9 | 173.6 | -73.5 | 170.1 | 0 | 0 | 0 | 113.4 | E172 K173 Q179 L180 | E172-L176 WeakPolarHBondContact O-CG 3.37Å; E172-L176 PolarHBondContact O-N 3.08Å; K173-L176 PolarHBondContact O-N 3.5Å; L176-Q179 PolarHBondContact O-N 3.34Å; L176-L180 PolarHBondContact O-N 2.95Å |
| 177 | Q | 47.7 | Very low | 42.1 | Very low | 107 Ų | 107 | 127.2 Ų | 127.2 | 50% | 0.5 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -61.8 | -48.8 | 173 | -177.5 | 66.2 | 37.8 | 0 | 0 | 110.8 | K173 V174 Q179 L180 E181 | K173-Q177 WeakPolarHBondContact O-CB 3.49Å; K173-Q177 PolarHBondContact O-N 2.72Å; V174-Q177 PolarHBondContact O-N 3.06Å; Q177-Q179 PolarHBondContact O-N 2.9Å; Q177-L180 PolarHBondContact O-N 3.34Å; Q177-E181 PolarHBondContact NE2-OE2 2.75Å; Q177-E181 PolarHBondContact O-N 2.85Å; Q177-E181 VanDerWaalsContact O-N 3.14Å |
| 178 | M | 46.1 | Very low | 42 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 67% | 0.665 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -67.1 | -19.3 | 178.7 | -163.9 | 169.4 | 66.6 | 0 | 0 | 113.2 | V174 Q175 | V174-M178 WeakPolarHBondContact O-CB 3.15Å; V174-M178 PolarHBondContact O-N 3.19Å; Q175-M178 PolarHBondContact O-N 2.83Å |
| 179 | Q | 46.1 | Very low | 41.6 | Very low | 135 Ų | 135 | 132 Ų | 132 | 63% | 0.631 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -79.2 | -20.3 | 171.3 | -130.2 | 75.7 | 63.5 | 0 | 0 | 113.4 | Q175 L176 Q177 | Q175-Q179 PolarHBondContact O-N 3.03Å; Q175-Q179 VanDerWaalsContact O-N 3.1Å; L176-Q179 PolarHBondContact O-N 3.34Å; Q177-Q179 PolarHBondContact O-N 2.9Å |
| 180 | L | 46.9 | Very low | 41.1 | Very low | 133 Ų | 133 | 130 Ų | 130 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -100.5 | -23.8 | -177.3 | -80.9 | 166.1 | 0 | 0 | 0 | 114 | L176 Q177 N182 | L176-L180 PolarHBondContact O-N 2.95Å; Q177-L180 PolarHBondContact O-N 3.34Å; L180-N182 VanDerWaalsContact C-N 3.25Å; L180-N182 PolarHBondContact O-N 2.85Å |
| 181 | E | 40.3 | Very low | 40.3 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 67% | 0.673 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -4.6 | 177.6 | -105 | 168.9 | 97 | 0 | 0 | 114.5 | Q177 | Q177-E181 PolarHBondContact NE2-OE2 2.75Å; Q177-E181 PolarHBondContact O-N 2.85Å; Q177-E181 VanDerWaalsContact O-N 3.14Å |
| 182 | N | 36 | Very low | 39.7 | Very low | 149 Ų | 149 | 137.7 Ų | 137.7 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -0.9 | -175.9 | -142.5 | 34.5 | 0 | 0 | 0 | 114 | L180 | L180-N182 VanDerWaalsContact C-N 3.25Å; L180-N182 PolarHBondContact O-N 2.85Å |
| 183 | E | 31.7 | Very low | 39.1 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -117.1 | 109.9 | 169.3 | -73.1 | -80.6 | 131.5 | 0 | 0 | 107.5 | ||
| 184 | H | 32.9 | Very low | 38 | Very low | 189 Ų | 189 | 140.4 Ų | 140.4 | 88% | 0.875 | 74% | 0.738 | S | S | * | * | trans | 162.3 | 154.5 | 149.5 | -93.2 | 84.1 | 0 | 0 | 0 | 112.3 | ||||
| 185 | S | 28.3 | Very low | 37.2 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | trans | 60.7 | 90.4 | 165.1 | 59.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 186 | H | 35.4 | Very low | 36.4 | Very low | 196 Ų | 196 | 144.6 Ų | 144.6 | 91% | 0.907 | 76% | 0.764 | S | S | * | * | trans | -68.2 | 143.3 | 139.6 | -76 | -68.7 | 0 | 0 | 0 | 110.1 | ||||
| 187 | T | 30.4 | Very low | 35.5 | Very low | 133 Ų | 133 | 144.4 Ų | 144.4 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | trans | -69.9 | 173 | 174.6 | 35.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 188 | P | 33.7 | Very low | 34.8 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | cis | -133.5 | 169.2 | 11.8 | 39.8 | -22.3 | 0 | 0 | 0 | 117.3 | ||||
| 189 | T | 31.1 | Very low | 34.2 | Very low | 135 Ų | 135 | 147.1 Ų | 147.1 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | -98.6 | 157.2 | 160.3 | 46.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 190 | P | 34.4 | Very low | 33.5 | Very low | 110 Ų | 110 | 149.1 Ų | 149.1 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | -142.8 | 143.7 | 126.8 | 24.9 | -5.2 | 0 | 0 | 0 | 115.6 | |||||
| 191 | Y | 30.6 | Very low | 32.9 | Very low | 225 Ų | 225 | 147.6 Ų | 147.6 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | 36.8 | 120.6 | 152.3 | -70.6 | -84.5 | 0 | 0 | 0 | 122.3 | ||||
| 192 | P | 33.9 | Very low | 32.7 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -84.8 | 143.9 | 153.2 | 35 | -30.7 | 0 | 0 | 0 | 111.7 | ||||
| 193 | S | 34.9 | Very low | 32.7 | Very low | 118 Ų | 118 | 148 Ų | 148 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -141.9 | 147.6 | 165.6 | -171.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 194 | F | 29.4 | Very low | 33.1 | Very low | 211 Ų | 211 | 146.3 Ų | 146.3 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -68.9 | 132.1 | 176 | -91.3 | -124.9 | 0 | 0 | 0 | 111.1 | ||||
| 195 | S | 33.9 | Very low | 33.2 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | -167.1 | 177.7 | 110.9 | -154.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 196 | Q | 32 | Very low | 33.5 | Very low | 180 Ų | 180 | 144.7 Ų | 144.7 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | -83 | 168.8 | -163.5 | -58.6 | 165 | -30.2 | 0 | 0 | 115.1 | ||||
| 197 | S | 30 | Very low | 34.1 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 105 | 105.4 | 131.9 | -155.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 198 | V | 33.7 | Very low | 34.7 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 82.6 | 142.6 | 135.8 | 170.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 199 | H | 32.3 | Very low | 34.7 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | trans | -82 | 158.7 | 179.1 | -73.4 | -136.8 | 0 | 0 | 0 | 112.7 | ||||
| 200 | Q | 32.3 | Very low | 35 | Very low | 177 Ų | 177 | 137 Ų | 137 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | trans | 48.7 | 106.1 | 135.4 | -170.9 | 173.7 | 84.2 | 0 | 0 | 116.3 | ||||
| 201 | S | 33.1 | Very low | 35 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | 176 | -175.3 | 54.3 | 40.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 202 | V | 36.1 | Very low | 35.5 | Very low | 140 Ų | 140 | 136 Ų | 136 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | trans | 94.1 | 136 | 166.3 | -170.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 203 | L | 35.6 | Very low | 35.5 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -117.4 | -175.4 | -172.6 | -76.9 | 166.6 | 0 | 0 | 0 | 109.1 | ||||
| 204 | P | 41.1 | Very low | 35.4 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | cis | -130.2 | -178.1 | -40.1 | 33.6 | -16.3 | 0 | 0 | 0 | 112.4 | ||||
| 205 | G | 35.8 | Very low | 35.5 | Very low | 71 Ų | 71 | 135.8 Ų | 135.8 | 73% | 0.732 | 81% | 0.807 | S | S | * | * | trans | -178 | 119.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 206 | F | 34.4 | Very low | 35.6 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | trans | 23.2 | 116.9 | 159.8 | -85.6 | -107.2 | 0 | 0 | 0 | 120.3 | ||||
| 207 | V | 46.9 | Very low | 35.4 | Very low | 126 Ų | 126 | 139 Ų | 139 | 76% | 0.764 | 81% | 0.814 | S | S | * | * | 77.4 | 131.8 | 52.9 | 179.8 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 208 | P | 43.1 | Very low | 35.5 | Very low | 131 Ų | 131 | 139.3 Ų | 139.3 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -132.6 | -171.2 | -134 | 44.9 | -29.8 | 0 | 0 | 0 | 115.8 | ||||
| 209 | G | 34.2 | Very low | 35.2 | Very low | 82 Ų | 82 | 139 Ų | 139 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | 147.4 | 149.8 | 157.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 210 | G | 37.5 | Very low | 35.2 | Very low | 81 Ų | 81 | 139.4 Ų | 139.4 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | 149.4 | 86 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 211 | T | 34.9 | Very low | 34.9 | Very low | 131 Ų | 131 | 139 Ų | 139 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -82.9 | 152.8 | 167.9 | 47.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 212 | Q | 40.4 | Very low | 34.9 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | -174.8 | 157.8 | 120.8 | -96.1 | -59.5 | -2.7 | 0 | 0 | 110.4 | |||||
| 213 | K | 33.2 | Very low | 34.6 | Very low | 194 Ų | 194 | 138.5 Ų | 138.5 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -123.3 | 116.7 | -173.5 | -179.9 | -174.2 | 179.1 | -176.2 | 0 | 110.2 | ||||
| 214 | L | 32.7 | Very low | 34.5 | Very low | 177 Ų | 177 | 137 Ų | 137 | 93% | 0.927 | 82% | 0.821 | S | S | * | * | trans | -114.4 | 155.2 | 174.3 | -161.3 | 60.9 | 0 | 0 | 0 | 111.1 | ||||
| 215 | A | 31.6 | Very low | 34 | Very low | 80 Ų | 80 | 137.8 Ų | 137.8 | 66% | 0.661 | 82% | 0.824 | S | S | * | * | trans | -94.9 | 160.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 216 | Q | 36.2 | Very low | 33.9 | Very low | 195 Ų | 195 | 144 Ų | 144 | 91% | 0.911 | 83% | 0.831 | S | S | * | * | -172.6 | 157.8 | 115.6 | -101.3 | 168.7 | -16.2 | 0 | 0 | 112.1 | |||||
| 217 | N | 28.7 | Very low | 33.6 | Very low | 168 Ų | 168 | 138.8 Ų | 138.8 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | trans | -87 | 133.3 | 167.8 | -84.1 | -48.3 | 0 | 0 | 0 | 109.6 | ||||
| 218 | S | 31.7 | Very low | 32.9 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | -171.4 | 134.3 | 132 | -159.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 219 | V | 28.5 | Very low | 32.5 | Very low | 123 Ų | 123 | 138.7 Ų | 138.7 | 75% | 0.745 | 83% | 0.825 | S | S | * | * | trans | -1.6 | 122.8 | 152.7 | -170.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 220 | Q | 31.9 | Very low | 32.3 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | -178.4 | 125.4 | 121.6 | -95.1 | 179.5 | 13.2 | 0 | 0 | 108.7 | |||||
| 221 | M | 26.3 | Very low | 32.1 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 82% | 0.823 | 82% | 0.821 | S | S | * | * | 64.6 | 92 | 77.2 | -73.6 | -73.2 | -76.5 | 0 | 0 | 115.7 | |||||
| 222 | V | 32.4 | Very low | 31.9 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 90% | 0.903 | 82% | 0.821 | S | S | * | * | trans | -148.4 | 142.7 | 140.1 | 173.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 223 | A | 29.9 | Very low | 31.6 | Very low | 84 Ų | 84 | 144.5 Ų | 144.5 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | trans | -107.5 | 166.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 224 | S | 33.4 | Very low | 31.4 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -152.2 | 101.2 | 158.3 | -83.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 225 | V | 30.5 | Very low | 31.4 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -93.3 | 137.3 | 165.1 | 175.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 226 | K | 33.3 | Very low | 31.4 | Very low | 202 Ų | 202 | 139.6 Ų | 139.6 | 88% | 0.878 | 81% | 0.806 | S | S | * | * | trans | -139.8 | 84.5 | 168.2 | -159.8 | 171.5 | -174.4 | 177.2 | 0 | 107.8 | ||||
| 227 | A | 29.3 | Very low | 31.2 | Very low | 84 Ų | 84 | 140.5 Ų | 140.5 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | 68.5 | 97.3 | 85.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 228 | V | 32.1 | Very low | 31.2 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -118.2 | 126.6 | 160.8 | 173.3 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 229 | S | 34.4 | Very low | 31.1 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | trans | -79.3 | 135.2 | 177.8 | -166.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 230 | E | 29 | Very low | 31.1 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | trans | -64.7 | 150.4 | 153.6 | -63.2 | -176.6 | 125 | 0 | 0 | 109.1 | ||||
| 231 | N | 33.1 | Very low | 31 | Very low | 150 Ų | 150 | 141 Ų | 141 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -141 | 97.3 | 162.3 | -173.7 | 10.5 | 0 | 0 | 0 | 108.1 | N233 | N231-N233 PolarHBondContact O-N 2.89Š| ||
| 232 | V | 32 | Very low | 31.2 | Very low | 131 Ų | 131 | 136 Ų | 136 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -78.7 | 105.9 | 176.6 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 233 | N | 34.1 | Very low | 31 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | trans | -129.3 | 108.9 | 160.7 | -164.4 | 39.8 | 0 | 0 | 0 | 109 | N231 | N231-N233 PolarHBondContact O-N 2.89Š| ||
| 234 | G | 29.1 | Very low | 31.2 | Very low | 67 Ų | 67 | 141.2 Ų | 141.2 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | -84.3 | 130.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 235 | D | 32.2 | Very low | 31.1 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 69% | 0.69 | 80% | 0.803 | S | S | * | * | trans | -149.8 | 145 | 157.4 | -159.3 | 6.4 | 0 | 0 | 0 | 110.9 | R237 | D235-R237 PolarHBondContact O-N 3.15Å; D235-R237 IonicContact OD2-NH2 3.37Å; D235-R237 PolarHBondContact OD2-NH2 3.43Å | ||
| 236 | N | 32.2 | Very low | 31.6 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | trans | -80.3 | 114.8 | -175.6 | -82.4 | -63.4 | 0 | 0 | 0 | 111 | ||||
| 237 | R | 31.5 | Very low | 31.5 | Very low | 215 Ų | 215 | 138.1 Ų | 138.1 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -158.9 | 137.3 | 154.5 | -118.3 | 159 | -69.4 | -169.7 | 5 | 113.7 | D235 G239 | D235-R237 PolarHBondContact O-N 3.15Å; D235-R237 IonicContact OD2-NH2 3.37Å; D235-R237 PolarHBondContact OD2-NH2 3.43Å; R237-G239 PolarHBondContact O-N 2.97Å | ||
| 238 | F | 28.2 | Very low | 31.9 | Very low | 222 Ų | 222 | 140 Ų | 140 | 97% | 0.974 | 80% | 0.796 | S | S | * | * | trans | -65.6 | 122.9 | 176.1 | -76.2 | -107.3 | 0 | 0 | 0 | 110.5 | ||||
| 239 | G | 28.7 | Very low | 32.5 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -147.5 | 112.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | R237 S241 | R237-G239 PolarHBondContact O-N 2.97Å; G239-S241 PolarHBondContact O-N 3.07Å; G239-S241 VanDerWaalsContact O-N 3.14Å | ||
| 240 | L | 30.5 | Very low | 32.8 | Very low | 190 Ų | 190 | 137 Ų | 137 | 100% | 0.995 | 78% | 0.777 | S | S | * | * | trans | -80.6 | 89.3 | 179.2 | -67.5 | 171.6 | 0 | 0 | 0 | 110.7 | ||||
| 241 | S | 29.7 | Very low | 33.5 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -144.3 | 57 | 174.2 | -159.7 | 0 | 0 | 0 | 0 | 112.8 | G239 S243 | G239-S241 PolarHBondContact O-N 3.07Å; G239-S241 VanDerWaalsContact O-N 3.14Å; S241-S243 VanDerWaalsContact C-N 3.32Å; S241-S243 PolarHBondContact O-N 3.1Å; S241-S243 VanDerWaalsContact O-N 3.13Å | ||
| 242 | G | 28.6 | Very low | 34 | Very low | 62 Ų | 62 | 132.4 Ų | 132.4 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | trans | -83.6 | 64.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | W244 | G242-W244 VanDerWaalsContact C-N 3.3Å; G242-W244 PolarHBondContact O-N 2.97Å | ||
| 243 | S | 28.9 | Very low | 34.5 | Very low | 109 Ų | 109 | 128.8 Ų | 128.8 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | trans | -75.4 | 83.2 | 172.2 | -167.8 | 0 | 0 | 0 | 0 | 110.1 | S241 Q245 | S241-S243 VanDerWaalsContact C-N 3.32Å; S241-S243 PolarHBondContact O-N 3.1Å; S241-S243 VanDerWaalsContact O-N 3.13Å; S243-Q245 PolarHBondContact O-N 2.94Å | ||
| 244 | W | 34.6 | Very low | 35.2 | Very low | 233 Ų | 233 | 130.4 Ų | 130.4 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -68.6 | 103.1 | 175.4 | -71 | 97.8 | 0 | 0 | 0 | 109.8 | G242 V246 | G242-W244 VanDerWaalsContact C-N 3.3Å; G242-W244 PolarHBondContact O-N 2.97Å; W244-V246 PolarHBondContact O-N 3.28Å | ||
| 245 | Q | 31.6 | Very low | 36.3 | Very low | 184 Ų | 184 | 128.9 Ų | 128.9 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -56.2 | 124.7 | 168.5 | -73.1 | 179 | -20.7 | 0 | 0 | 108.9 | S243 A247 | S243-Q245 PolarHBondContact O-N 2.94Å; Q245-A247 PolarHBondContact O-N 2.98Å | ||
| 246 | V | 39.6 | Very low | 37.9 | Very low | 131 Ų | 131 | 125 Ų | 125 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | trans | -65.3 | 110.9 | 175.7 | 177.9 | 0 | 0 | 0 | 0 | 107.4 | W244 V248 | W244-V246 PolarHBondContact O-N 3.28Å; V246-V248 PolarHBondContact O-N 3.39Å | ||
| 247 | A | 33 | Very low | 39.6 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | -60.4 | 109.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q245 | Q245-A247 PolarHBondContact O-N 2.98Š| ||
| 248 | V | 37.9 | Very low | 41.5 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 74% | 0.739 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 125.6 | 178.1 | -179.9 | 0 | 0 | 0 | 0 | 107.7 | V246 | V246-V248 PolarHBondContact O-N 3.39Š|
| 249 | P | 43 | Very low | 43.2 | Very low | 88 Ų | 88 | 111 Ų | 111 | 57% | 0.571 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 141.5 | 179.1 | 26.6 | -34.4 | 0 | 0 | 0 | 109.4 | S251 | P249-S251 PolarHBondContact O-N 3.34Å; P249-S251 VanDerWaalsContact O-N 3.1Å |
| 250 | P | 41.2 | Very low | 44.8 | Very low | 106 Ų | 106 | 110.5 Ų | 110.5 | 69% | 0.688 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 118.5 | -179.2 | 25.1 | -33.5 | 0 | 0 | 0 | 110 | S252 | P250-S252 PolarHBondContact O-N 3.09Š|
| 251 | S | 43.4 | Very low | 46.8 | Very low | 122 Ų | 122 | 106.4 Ų | 106.4 | 85% | 0.853 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | 32 | -178.4 | -44.2 | 0 | 0 | 0 | 0 | 114.2 | P249 | P249-S251 PolarHBondContact O-N 3.34Å; P249-S251 VanDerWaalsContact O-N 3.1Å |
| 252 | S | 44.6 | Very low | 48.8 | Very low | 102 Ų | 102 | 106.5 Ų | 106.5 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.5 | 6 | -171.6 | -46.7 | 0 | 0 | 0 | 0 | 112.6 | P250 L254 | P250-S252 PolarHBondContact O-N 3.09Å; S252-L254 PolarHBondContact O-N 3.08Å |
| 253 | A | 43 | Very low | 50.6 | Low | 54 Ų | 54 | 106.5 Ų | 106.5 | 45% | 0.446 | 60% | 0.602 | S | S | . | * | trans | -69.8 | 113.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110 | G255 | A253-G255 VanDerWaalsContact C-N 3.26Å; A253-G255 PolarHBondContact O-N 3.41Å | ||
| 254 | L | 46.9 | Very low | 53 | Low | 180 Ų | 180 | 106.1 Ų | 106.1 | 94% | 0.942 | 59% | 0.588 | S | S | * | * | trans | -72 | 76.3 | 178.5 | -79.9 | 158.4 | 0 | 0 | 0 | 111.8 | S252 | S252-L254 PolarHBondContact O-N 3.08Š| ||
| 255 | G | 53.2 | Low | 55.3 | Low | 34 Ų | 34 | 100.4 Ų | 100.4 | 35% | 0.351 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -142 | 166.3 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | A253 | A253-G255 VanDerWaalsContact C-N 3.26Å; A253-G255 PolarHBondContact O-N 3.41Å |
| 256 | S | 66 | Low | 57 | Low | 47 Ų | 47 | 96.6 Ų | 96.6 | 33% | 0.329 | 56% | 0.556 | S | S | . | * | trans | -65.9 | 152.1 | 173.8 | 65 | 0 | 0 | 0 | 0 | 111 | Q258 E259 I260 | S256-Q258 PolarHBondContact O-N 3.47Å; S256-Q258 VanDerWaalsContact O-N 3.14Å; S256-E259 VanDerWaalsContact CB-OE2 3.28Å; S256-E259 WeakPolarHBondContact CB-OE2 3.5Å; S256-E259 PolarHBondContact N-OE2 3.41Å; S256-E259 WeakPolarHBondContact O-CA 3.47Å; S256-E259 WeakPolarHBondContact O-CB 3.38Å; S256-E259 PolarHBondContact O-N 3.26Å; S256-E259 WeakPolarHBondContact OG-CG 3.36Å; S256-E259 PolarHBondContact OG-N 3.29Å; S256-E259 PolarHBondContact OG-OE2 3.49Å; S256-I260 PolarHBondContact O-N 2.91Å; S256-I260 VanDerWaalsContact O-N 3.08Å | ||
| 257 | Q | 66.8 | Low | 58.7 | Low | 120 Ų | 120 | 96.2 Ų | 96.2 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -50.5 | -39.5 | 174 | 177.9 | 62.1 | 18.9 | 0 | 0 | 111.7 | E259 I260 E261 | Q257-E259 PolarHBondContact O-N 2.97Å; Q257-I260 PolarHBondContact O-N 3.31Å; Q257-E261 WeakPolarHBondContact CG-OE1 3.35Å; Q257-E261 PolarHBondContact NE2-OE1 3.32Å; Q257-E261 WeakPolarHBondContact O-CB 3.38Å; Q257-E261 VanDerWaalsContact O-CG 3.32Å; Q257-E261 WeakPolarHBondContact O-CG 3.46Å; Q257-E261 PolarHBondContact O-N 3.4Å |
| 258 | Q | 72 | Confident | 60.9 | Low | 152 Ų | 152 | 97.1 Ų | 97.1 | 71% | 0.71 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.7 | -34.5 | 175.9 | -65.3 | -178.3 | -7.5 | 0 | 0 | 113.4 | S256 K262 | S256-Q258 PolarHBondContact O-N 3.47Å; S256-Q258 VanDerWaalsContact O-N 3.14Å; Q258-K262 WeakPolarHBondContact O-CB 3.26Å; Q258-K262 PolarHBondContact O-N 2.92Å |
| 259 | E | 63.6 | Low | 63 | Low | 24 Ų | 24 | 97.5 Ų | 97.5 | 11% | 0.112 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -72.7 | -37.8 | 175 | -74.2 | 160.8 | 123.7 | 0 | 0 | 111.6 | S256 Q257 K262 M263 P397 N398 | S256-E259 VanDerWaalsContact CB-OE2 3.28Å; S256-E259 WeakPolarHBondContact CB-OE2 3.5Å; S256-E259 PolarHBondContact N-OE2 3.41Å; S256-E259 WeakPolarHBondContact O-CA 3.47Å; S256-E259 WeakPolarHBondContact O-CB 3.38Å; S256-E259 PolarHBondContact O-N 3.26Å; S256-E259 WeakPolarHBondContact OG-CG 3.36Å; S256-E259 PolarHBondContact OG-N 3.29Å; S256-E259 PolarHBondContact OG-OE2 3.49Å; Q257-E259 PolarHBondContact O-N 2.97Å; E259-K262 PolarHBondContact O-N 3.35Å; E259-M263 WeakPolarHBondContact O-CB 3.3Å; E259-M263 WeakPolarHBondContact O-CG 3.17Å; E259-M263 PolarHBondContact O-N 3.14Å; E259-P397 WeakPolarHBondContact OE1-CB 3.18Å; E259-P397 VanDerWaalsContact OE1-CG 3.31Å; E259-P397 WeakPolarHBondContact OE1-CG 3.43Å; E259-N398 PolarHBondContact OE1-N 3.15Å; E259-N398 VanDerWaalsContact OE1-N 3.11Å; E259-N398 PolarHBondContact OE1-ND2 3.37Å; E259-N398 PolarHBondContact OE1-OD1 2.86Å; E259-N398 PolarHBondContact OE2-ND2 2.95Å |
| 260 | I | 61.8 | Low | 64.2 | Low | 59 Ų | 59 | 95.6 Ų | 95.6 | 30% | 0.303 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -48.5 | 174 | -61.5 | 173.7 | 0 | 0 | 0 | 110.1 | S256 Q257 K262 M263 H264 | S256-I260 PolarHBondContact O-N 2.91Å; S256-I260 VanDerWaalsContact O-N 3.08Å; Q257-I260 PolarHBondContact O-N 3.31Å; I260-K262 PolarHBondContact O-N 3.04Å; I260-M263 PolarHBondContact O-N 2.77Å; I260-H264 WeakPolarHBondContact O-CB 3.46Å; I260-H264 PolarHBondContact O-N 2.81Å |
| 261 | E | 73.5 | Confident | 65.7 | Low | 104 Ų | 104 | 92.5 Ų | 92.5 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 175 | -73.7 | 167.7 | -178.5 | 0 | 0 | 112.2 | Q257 H264 M265 | Q257-E261 WeakPolarHBondContact CG-OE1 3.35Å; Q257-E261 PolarHBondContact NE2-OE1 3.32Å; Q257-E261 WeakPolarHBondContact O-CB 3.38Å; Q257-E261 VanDerWaalsContact O-CG 3.32Å; Q257-E261 WeakPolarHBondContact O-CG 3.46Å; Q257-E261 PolarHBondContact O-N 3.4Å; E261-H264 PolarHBondContact O-N 3.37Å; E261-M265 WeakPolarHBondContact O-CB 3.16Å; E261-M265 PolarHBondContact O-N 3.35Å |
| 262 | K | 72.6 | Confident | 67.4 | Low | 113 Ų | 113 | 93 Ų | 93 | 49% | 0.491 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 176.5 | -177.5 | -179.9 | 177.6 | -173.8 | 0 | 112.1 | Q258 E259 I260 M266 | Q258-K262 WeakPolarHBondContact O-CB 3.26Å; Q258-K262 PolarHBondContact O-N 2.92Å; E259-K262 PolarHBondContact O-N 3.35Å; I260-K262 PolarHBondContact O-N 3.04Å; K262-M266 HydrophobicContact CG-CE 4.4Å; K262-M266 VanDerWaalsContact O-CG 3.31Å; K262-M266 WeakPolarHBondContact O-CG 3.39Å; K262-M266 PolarHBondContact O-N 3.45Å |
| 263 | M | 65.8 | Low | 68.8 | Low | 61 Ų | 61 | 93.2 Ų | 93.2 | 30% | 0.3 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 172.4 | -72.8 | -161.8 | -59.5 | 0 | 0 | 111.7 | E259 I260 M266 Y267 | E259-M263 WeakPolarHBondContact O-CB 3.3Å; E259-M263 WeakPolarHBondContact O-CG 3.17Å; E259-M263 PolarHBondContact O-N 3.14Å; I260-M263 PolarHBondContact O-N 2.77Å; M263-M266 HydrophobicContact CG-CE 4.1Å; M263-M266 PolarHBondContact O-N 2.83Å; M263-Y267 WeakPolarHBondContact O-CB 3.27Å; M263-Y267 PolarHBondContact O-N 3.14Å |
| 264 | H | 79 | Confident | 70.1 | Confident | 101 Ų | 101 | 95 Ų | 95 | 47% | 0.468 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 176.1 | -171.1 | 83.9 | 0 | 0 | 0 | 111.9 | I260 E261 M266 Y267 Q268 | I260-H264 WeakPolarHBondContact O-CB 3.46Å; I260-H264 PolarHBondContact O-N 2.81Å; E261-H264 PolarHBondContact O-N 3.37Å; H264-M266 PolarHBondContact O-N 3.28Å; H264-Y267 WeakPolarHBondContact O-CB 3.46Å; H264-Y267 PolarHBondContact O-N 3.4Å; H264-Q268 PolarHBondContact CD2-NE2 2.88Å; H264-Q268 PolarHBondContact NE2-NE2 3.02Å; H264-Q268 WeakPolarHBondContact O-CG 3.44Å; H264-Q268 PolarHBondContact O-N 3.16Å |
| 265 | M | 82.1 | Confident | 71.5 | Confident | 113 Ų | 113 | 92.8 Ų | 92.8 | 56% | 0.557 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.7 | -41.5 | 173 | 172.1 | 175.7 | 46.1 | 0 | 0 | 112.1 | E261 K269 | E261-M265 WeakPolarHBondContact O-CB 3.16Å; E261-M265 PolarHBondContact O-N 3.35Å; M265-K269 VanDerWaalsContact O-CB 3.27Å; M265-K269 WeakPolarHBondContact O-CB 3.48Å; M265-K269 PolarHBondContact O-N 2.99Å |
| 266 | M | 68.2 | Low | 72.5 | Confident | 105 Ų | 105 | 99.9 Ų | 99.9 | 52% | 0.517 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.8 | -40.2 | 175 | -73.3 | -173 | -59.7 | 0 | 0 | 111.9 | K262 M263 H264 K269 A270 | K262-M266 HydrophobicContact CG-CE 4.4Å; K262-M266 VanDerWaalsContact O-CG 3.31Å; K262-M266 WeakPolarHBondContact O-CG 3.39Å; K262-M266 PolarHBondContact O-N 3.45Å; M263-M266 HydrophobicContact CG-CE 4.1Å; M263-M266 PolarHBondContact O-N 2.83Å; H264-M266 PolarHBondContact O-N 3.28Å; M266-K269 PolarHBondContact O-N 3.13Å; M266-A270 WeakPolarHBondContact O-CB 3.44Å; M266-A270 PolarHBondContact O-N 3.39Å |
| 267 | Y | 75.4 | Confident | 72.5 | Confident | 123 Ų | 123 | 98.7 Ų | 98.7 | 48% | 0.482 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.5 | -50.6 | 174.4 | 175.1 | -101.7 | 0 | 0 | 0 | 112.1 | M263 H264 K269 A270 C271 Y376 | M263-Y267 WeakPolarHBondContact O-CB 3.27Å; M263-Y267 PolarHBondContact O-N 3.14Å; H264-Y267 WeakPolarHBondContact O-CB 3.46Å; H264-Y267 PolarHBondContact O-N 3.4Å; Y267-K269 VanDerWaalsContact C-N 3.27Å; Y267-K269 PolarHBondContact O-N 2.94Å; Y267-A270 PolarHBondContact O-N 3.06Å; Y267-A270 VanDerWaalsContact O-N 3.14Å; Y267-C271 PolarHBondContact O-N 2.85Å; Y267-C271 PolarHBondContact O-SG 2.87Å; Y267-C271 VanDerWaalsContact O-SG 3.41Å; Y267-Y376 HydrophobicContact CD2-CE1 4.46Å |
| 268 | Q | 80.1 | Confident | 72.6 | Confident | 109 Ų | 109 | 95.7 Ų | 95.7 | 51% | 0.509 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -53.8 | -45.2 | 174.4 | -73.8 | -172.7 | 3 | 0 | 0 | 111.5 | H264 C271 Q272 | H264-Q268 PolarHBondContact CD2-NE2 2.88Å; H264-Q268 PolarHBondContact NE2-NE2 3.02Å; H264-Q268 WeakPolarHBondContact O-CG 3.44Å; H264-Q268 PolarHBondContact O-N 3.16Å; Q268-C271 PolarHBondContact O-N 2.88Å; Q268-Q272 WeakPolarHBondContact O-CB 3.32Å; Q268-Q272 PolarHBondContact O-N 2.83Å |
| 269 | K | 80.7 | Confident | 72.3 | Confident | 131 Ų | 131 | 90.9 Ų | 90.9 | 57% | 0.57 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -67.2 | -37.2 | 179.5 | -169.2 | 170.8 | -176 | 173.2 | 0 | 112.6 | M265 M266 Y267 Q272 L273 | M265-K269 VanDerWaalsContact O-CB 3.27Å; M265-K269 WeakPolarHBondContact O-CB 3.48Å; M265-K269 PolarHBondContact O-N 2.99Å; M266-K269 PolarHBondContact O-N 3.13Å; Y267-K269 VanDerWaalsContact C-N 3.27Å; Y267-K269 PolarHBondContact O-N 2.94Å; K269-Q272 PolarHBondContact O-N 3.1Å; K269-L273 HydrophobicContact CG-CD1 4.43Å; K269-L273 WeakPolarHBondContact O-CB 3.24Å; K269-L273 VanDerWaalsContact O-CG 3.28Å; K269-L273 WeakPolarHBondContact O-CG 3.48Å; K269-L273 PolarHBondContact O-N 3.18Å |
| 270 | A | 67.6 | Low | 72.4 | Confident | 47 Ų | 47 | 94 Ų | 94 | 39% | 0.388 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.2 | -45.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | M266 Y267 Q272 L273 Y274 | M266-A270 WeakPolarHBondContact O-CB 3.44Å; M266-A270 PolarHBondContact O-N 3.39Å; Y267-A270 PolarHBondContact O-N 3.06Å; Y267-A270 VanDerWaalsContact O-N 3.14Å; A270-Q272 PolarHBondContact O-N 3.34Å; A270-L273 PolarHBondContact O-N 3.45Å; A270-Y274 WeakPolarHBondContact O-CB 3.34Å; A270-Y274 PolarHBondContact O-N 2.75Å |
| 271 | C | 73.4 | Confident | 72.1 | Confident | 42 Ų | 42 | 95.3 Ų | 95.3 | 28% | 0.284 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 174.6 | -69.1 | 0 | 0 | 0 | 0 | 112.2 | Y267 Q268 Y274 Q275 | Y267-C271 PolarHBondContact O-N 2.85Å; Y267-C271 PolarHBondContact O-SG 2.87Å; Y267-C271 VanDerWaalsContact O-SG 3.41Å; Q268-C271 PolarHBondContact O-N 2.88Å; C271-Y274 PolarHBondContact O-N 3.47Å; C271-Q275 WeakPolarHBondContact O-CB 3.38Å; C271-Q275 WeakPolarHBondContact O-CG 3.48Å; C271-Q275 PolarHBondContact O-N 2.94Å |
| 272 | Q | 79.5 | Confident | 71.2 | Confident | 131 Ų | 131 | 93.6 Ų | 93.6 | 61% | 0.612 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -65.1 | -41.1 | 175.9 | -172.9 | -175.7 | 72 | 0 | 0 | 112.2 | Q268 K269 A270 R276 | Q268-Q272 WeakPolarHBondContact O-CB 3.32Å; Q268-Q272 PolarHBondContact O-N 2.83Å; K269-Q272 PolarHBondContact O-N 3.1Å; A270-Q272 PolarHBondContact O-N 3.34Å; Q272-R276 VanDerWaalsContact O-CB 3.29Å; Q272-R276 WeakPolarHBondContact O-CB 3.28Å; Q272-R276 PolarHBondContact O-N 3.3Å |
| 273 | L | 73 | Confident | 70.1 | Confident | 107 Ų | 107 | 92.3 Ų | 92.3 | 56% | 0.56 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.1 | -40.9 | 174.5 | -74.9 | 168.6 | 0 | 0 | 0 | 111.7 | K269 A270 R276 A277 | K269-L273 HydrophobicContact CG-CD1 4.43Å; K269-L273 WeakPolarHBondContact O-CB 3.24Å; K269-L273 VanDerWaalsContact O-CG 3.28Å; K269-L273 WeakPolarHBondContact O-CG 3.48Å; K269-L273 PolarHBondContact O-N 3.18Å; A270-L273 PolarHBondContact O-N 3.45Å; L273-R276 PolarHBondContact O-N 3.04Å; L273-A277 WeakPolarHBondContact O-CB 3.4Å; L273-A277 PolarHBondContact O-N 3.48Å |
| 274 | Y | 70.6 | Confident | 68.8 | Low | 91 Ų | 91 | 94.7 Ų | 94.7 | 36% | 0.357 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -50 | 175.1 | -177.6 | -96.5 | 0 | 0 | 0 | 111.9 | A270 C271 R276 A277 V278 Q369 | A270-Y274 WeakPolarHBondContact O-CB 3.34Å; A270-Y274 PolarHBondContact O-N 2.75Å; C271-Y274 PolarHBondContact O-N 3.47Å; Y274-R276 VanDerWaalsContact C-N 3.3Å; Y274-R276 PolarHBondContact O-N 3.26Å; Y274-A277 PolarHBondContact O-N 3.22Å; Y274-A277 VanDerWaalsContact O-N 3.15Å; Y274-V278 HydrophobicContact CD1-CG2 4.23Å; Y274-V278 HydrophobicContact CE1-CG2 3.77Å; Y274-V278 HydrophobicContact CE2-CG2 4.35Å; Y274-V278 WeakPolarHBondContact O-CG2 3.45Å; Y274-V278 PolarHBondContact O-N 3.24Å; Y274-Q369 WeakPolarHBondContact OH-CG 3.42Å; Y274-Q369 PolarHBondContact OH-NE2 3Å; Y274-Q369 VanDerWaalsContact OH-NE2 3.08Å |
| 275 | Q | 76.5 | Confident | 67 | Low | 134 Ų | 134 | 95.3 Ų | 95.3 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -58.6 | -41.2 | 175.3 | -72.8 | 175.1 | 7.5 | 0 | 0 | 111.8 | C271 V278 A279 | C271-Q275 WeakPolarHBondContact O-CB 3.38Å; C271-Q275 WeakPolarHBondContact O-CG 3.48Å; C271-Q275 PolarHBondContact O-N 2.94Å; Q275-V278 PolarHBondContact O-N 3.16Å; Q275-A279 VanDerWaalsContact O-CB 3.24Å; Q275-A279 WeakPolarHBondContact O-CB 3.42Å; Q275-A279 PolarHBondContact O-N 3.35Å |
| 276 | R | 74.2 | Confident | 64.7 | Low | 184 Ų | 184 | 97 Ų | 97 | 69% | 0.694 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -40.4 | 175.8 | -174 | 176.9 | -178.8 | 125.5 | 3.2 | 112.1 | Q272 L273 Y274 T280 | Q272-R276 VanDerWaalsContact O-CB 3.29Å; Q272-R276 WeakPolarHBondContact O-CB 3.28Å; Q272-R276 PolarHBondContact O-N 3.3Å; L273-R276 PolarHBondContact O-N 3.04Å; Y274-R276 VanDerWaalsContact C-N 3.3Å; Y274-R276 PolarHBondContact O-N 3.26Å; R276-T280 WeakPolarHBondContact O-CB 3.3Å; R276-T280 PolarHBondContact O-N 2.65Å; R276-T280 PolarHBondContact O-OG1 3.29Å |
| 277 | A | 66.9 | Low | 63.1 | Low | 22 Ų | 22 | 97.8 Ų | 97.8 | 18% | 0.182 | 54% | 0.537 | C | S | . | . | H | α-helix | trans | -64.2 | -49.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | L273 Y274 A279 T280 I281 I359 | L273-A277 WeakPolarHBondContact O-CB 3.4Å; L273-A277 PolarHBondContact O-N 3.48Å; Y274-A277 PolarHBondContact O-N 3.22Å; Y274-A277 VanDerWaalsContact O-N 3.15Å; A277-A279 PolarHBondContact O-N 2.94Å; A277-T280 PolarHBondContact O-N 2.72Å; A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 3.15Å; A277-I359 HydrophobicContact CB-CD1 3.58Å |
| 278 | V | 67.9 | Low | 60.9 | Low | 56 Ų | 56 | 97 Ų | 97 | 34% | 0.339 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.2 | -45.1 | 176.5 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | Y274 Q275 T280 I281 G282 | Y274-V278 HydrophobicContact CD1-CG2 4.23Å; Y274-V278 HydrophobicContact CE1-CG2 3.77Å; Y274-V278 HydrophobicContact CE2-CG2 4.35Å; Y274-V278 WeakPolarHBondContact O-CG2 3.45Å; Y274-V278 PolarHBondContact O-N 3.24Å; Q275-V278 PolarHBondContact O-N 3.16Å; V278-T280 VanDerWaalsContact C-N 3.35Å; V278-T280 PolarHBondContact O-N 3.33Å; V278-I281 PolarHBondContact O-N 2.9Å; V278-G282 PolarHBondContact O-N 3.37Å |
| 279 | A | 67 | Low | 58.7 | Low | 52 Ų | 52 | 98.8 Ų | 98.8 | 43% | 0.43 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.1 | -37.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q275 A277 G282 S283 | Q275-A279 VanDerWaalsContact O-CB 3.24Å; Q275-A279 WeakPolarHBondContact O-CB 3.42Å; Q275-A279 PolarHBondContact O-N 3.35Å; A277-A279 PolarHBondContact O-N 2.94Å; A279-G282 PolarHBondContact O-N 2.91Å; A279-S283 VanDerWaalsContact O-CB 3.23Å; A279-S283 WeakPolarHBondContact O-CB 3.46Å; A279-S283 PolarHBondContact O-N 3.23Å; A279-S283 VanDerWaalsContact O-N 3.13Å; A279-S283 PolarHBondContact O-OG 2.66Å |
| 280 | T | 63.7 | Low | 56.4 | Low | 88 Ų | 88 | 100.1 Ų | 100.1 | 54% | 0.54 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.9 | -42.5 | 176.5 | -55.5 | 0 | 0 | 0 | 0 | 111 | R276 A277 V278 G282 S283 | R276-T280 WeakPolarHBondContact O-CB 3.3Å; R276-T280 PolarHBondContact O-N 2.65Å; R276-T280 PolarHBondContact O-OG1 3.29Å; A277-T280 PolarHBondContact O-N 2.72Å; V278-T280 VanDerWaalsContact C-N 3.35Å; V278-T280 PolarHBondContact O-N 3.33Å; T280-G282 VanDerWaalsContact C-N 3.34Å; T280-S283 PolarHBondContact O-N 3.49Å |
| 281 | I | 57.5 | Low | 54.9 | Low | 87 Ų | 87 | 102.4 Ų | 102.4 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.3 | -36.8 | 175.7 | -64.2 | 162.8 | 0 | 0 | 0 | 111.1 | A277 V278 S283 | A277-I281 WeakPolarHBondContact O-CG1 3.47Å; A277-I281 PolarHBondContact O-N 3.15Å; V278-I281 PolarHBondContact O-N 2.9Å; I281-S283 VanDerWaalsContact C-N 3.34Å; I281-S283 PolarHBondContact O-N 2.77Å |
| 282 | G | 53.9 | Low | 53.1 | Low | 68 Ų | 68 | 105.6 Ų | 105.6 | 70% | 0.701 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -4.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | V278 A279 T280 | V278-G282 PolarHBondContact O-N 3.37Å; A279-G282 PolarHBondContact O-N 2.91Å; T280-G282 VanDerWaalsContact C-N 3.34Å |
| 283 | S | 49.7 | Very low | 51.4 | Low | 87 Ų | 87 | 105.1 Ų | 105.1 | 61% | 0.608 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.7 | 14.6 | -170.1 | -56.3 | 0 | 0 | 0 | 0 | 115.1 | A279 T280 I281 P285 | A279-S283 VanDerWaalsContact O-CB 3.23Å; A279-S283 WeakPolarHBondContact O-CB 3.46Å; A279-S283 PolarHBondContact O-N 3.23Å; A279-S283 VanDerWaalsContact O-N 3.13Å; A279-S283 PolarHBondContact O-OG 2.66Å; T280-S283 PolarHBondContact O-N 3.49Å; I281-S283 VanDerWaalsContact C-N 3.34Å; I281-S283 PolarHBondContact O-N 2.77Å; S283-P285 WeakPolarHBondContact O-CD 3.08Å |
| 284 | T | 38.8 | Very low | 49.7 | Very low | 110 Ų | 110 | 109.6 Ų | 109.6 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | trans | -97.2 | 96.1 | 172.7 | 52.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 285 | P | 40.6 | Very low | 47.9 | Very low | 115 Ų | 115 | 108.7 Ų | 108.7 | 75% | 0.747 | 64% | 0.642 | S | S | * | * | trans | -72.2 | 130.6 | 173 | 30.2 | -34.4 | 0 | 0 | 0 | 110.9 | S283 V287 | S283-P285 WeakPolarHBondContact O-CD 3.08Å; P285-V287 PolarHBondContact O-N 2.94Å | ||
| 286 | N | 32.6 | Very low | 46 | Very low | 148 Ų | 148 | 107.9 Ų | 107.9 | 79% | 0.791 | 65% | 0.647 | S | S | * | * | trans | 44.3 | 72.6 | 152.2 | -166.8 | 13.1 | 0 | 0 | 0 | 117.1 | ||||
| 287 | V | 35.9 | Very low | 44.1 | Very low | 122 Ų | 122 | 105.4 Ų | 105.4 | 74% | 0.739 | 65% | 0.654 | S | S | * | * | trans | -91.7 | 111.2 | 150.7 | -179.3 | 0 | 0 | 0 | 0 | 107.3 | P285 I289 | P285-V287 PolarHBondContact O-N 2.94Å; V287-I289 VanDerWaalsContact C-N 3.32Å; V287-I289 HydrophobicContact CG1-CG1 3.97Å; V287-I289 PolarHBondContact O-N 2.81Å | ||
| 288 | S | 28.5 | Very low | 42.7 | Very low | 105 Ų | 105 | 112 Ų | 112 | 73% | 0.734 | 69% | 0.685 | S | S | * | * | trans | -71.7 | 85.2 | 176.8 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | Q290 | S288-Q290 PolarHBondContact O-N 2.95Å; S288-Q290 VanDerWaalsContact O-N 3.15Å | ||
| 289 | I | 34.3 | Very low | 41.2 | Very low | 147 Ų | 147 | 113.1 Ų | 113.1 | 75% | 0.754 | 71% | 0.707 | S | S | * | * | trans | -80.3 | 92 | 169.5 | -56.5 | -177.7 | 0 | 0 | 0 | 107.3 | V287 | V287-I289 VanDerWaalsContact C-N 3.32Å; V287-I289 HydrophobicContact CG1-CG1 3.97Å; V287-I289 PolarHBondContact O-N 2.81Å | ||
| 290 | Q | 32.2 | Very low | 40 | Very low | 160 Ų | 160 | 116 Ų | 116 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 130.6 | 171.8 | -176.5 | 179.7 | 1.7 | 0 | 0 | 109.9 | S288 | S288-Q290 PolarHBondContact O-N 2.95Å; S288-Q290 VanDerWaalsContact O-N 3.15Å |
| 291 | P | 35.6 | Very low | 39 | Very low | 94 Ų | 94 | 117.4 Ų | 117.4 | 61% | 0.61 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 140.6 | 174.7 | 26.7 | -33.9 | 0 | 0 | 0 | 109.6 | ||
| 292 | P | 36.5 | Very low | 38.3 | Very low | 109 Ų | 109 | 119.1 Ų | 119.1 | 71% | 0.708 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 140.4 | 177.7 | 25.8 | -33.9 | 0 | 0 | 0 | 109.9 | F294 | P292-F294 PolarHBondContact O-N 2.89Š|
| 293 | P | 43.6 | Very low | 38.1 | Very low | 122 Ų | 122 | 122 Ų | 122 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 131.7 | -178 | 25.1 | -33.7 | 0 | 0 | 0 | 110.4 | G295 | P293-G295 PolarHBondContact O-N 2.85Š|
| 294 | F | 36.3 | Very low | 37.6 | Very low | 201 Ų | 201 | 126 Ų | 126 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | trans | -60.8 | 108.9 | 179.2 | -81.8 | -95.5 | 0 | 0 | 0 | 110.6 | P292 T296 | P292-F294 PolarHBondContact O-N 2.89Å; F294-T296 PolarHBondContact O-N 2.92Å | ||
| 295 | G | 33.5 | Very low | 37.5 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | trans | -62.4 | 128.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P293 | P293-G295 PolarHBondContact O-N 2.85Š| ||
| 296 | T | 37.3 | Very low | 37.2 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | trans | -70.4 | 140.1 | -175.4 | 41.6 | 0 | 0 | 0 | 0 | 112.2 | F294 I298 | F294-T296 PolarHBondContact O-N 2.92Å; T296-I298 PolarHBondContact O-N 2.82Å | ||
| 297 | P | 33.7 | Very low | 37.4 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | trans | -80.1 | 106.4 | 179.2 | 31.3 | -33.1 | 0 | 0 | 0 | 110.8 | ||||
| 298 | I | 38.7 | Very low | 37.6 | Very low | 161 Ų | 161 | 130.8 Ų | 130.8 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | -130.2 | 105.1 | 171 | -55.9 | -178.1 | 0 | 0 | 0 | 108.6 | T296 | T296-I298 PolarHBondContact O-N 2.82Š| ||
| 299 | G | 35.5 | Very low | 38 | Very low | 79 Ų | 79 | 135.1 Ų | 135.1 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | -165.7 | 43.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 300 | S | 41 | Very low | 39.1 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -131.9 | 148.4 | 179.7 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 301 | P | 42.6 | Very low | 39.8 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 160.1 | -163.7 | 31.1 | -36.9 | 0 | 0 | 0 | 114.7 | ||
| 302 | P | 43.3 | Very low | 40.2 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 134.8 | -176.4 | 30.8 | -35 | 0 | 0 | 0 | 113.3 | ||
| 303 | P | 50.4 | Low | 40.3 | Very low | 128 Ų | 128 | 135 Ų | 135 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 164.8 | 163.9 | 34.2 | -33.9 | 0 | 0 | 0 | 111.6 | ||
| 304 | M | 38.4 | Very low | 40.6 | Very low | 170 Ų | 170 | 136.8 Ų | 136.8 | 84% | 0.837 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -94 | 161.5 | -169.8 | -61.1 | 164.9 | 61.5 | 0 | 0 | 114.2 | ||
| 305 | S | 36.4 | Very low | 41.2 | Very low | 94 Ų | 94 | 132 Ų | 132 | 66% | 0.657 | 78% | 0.784 | S | S | * | * | trans | 82.4 | 114.2 | 140.3 | -76.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 306 | L | 35 | Very low | 41.4 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | 109.6 | 138 | 128.1 | -71 | 163.3 | 0 | 0 | 0 | 121 | |||||
| 307 | R | 37.5 | Very low | 41.7 | Very low | 237 Ų | 237 | 136 Ų | 136 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | 68 | 146.1 | 170.3 | -64.3 | 178.1 | 174.4 | -177.8 | -2.7 | 116.9 | ||||
| 308 | S | 39.5 | Very low | 41.8 | Very low | 104 Ų | 104 | 134.5 Ų | 134.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | cis | -165.8 | 150.5 | -24.7 | 45.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 309 | F | 37.9 | Very low | 42 | Very low | 196 Ų | 196 | 133.2 Ų | 133.2 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -63.6 | 159.4 | -177.8 | -61.1 | -85.6 | 0 | 0 | 0 | 114.4 | ||||
| 310 | P | 55.5 | Low | 42.2 | Very low | 127 Ų | 127 | 137.6 Ų | 137.6 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | -140.9 | 152.1 | 96.4 | 39 | -27.7 | 0 | 0 | 0 | 115.8 | |||||
| 311 | P | 48 | Very low | 42.3 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | trans | -111.5 | 166 | 163.7 | 39.6 | -31 | 0 | 0 | 0 | 112.7 | ||||
| 312 | T | 43 | Very low | 42.3 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | 172.7 | 118.2 | 142.4 | -79.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 313 | L | 40 | Very low | 42.6 | Very low | 148 Ų | 148 | 142 Ų | 142 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | 41.8 | 117.3 | 140.8 | -52.4 | 179.9 | 0 | 0 | 0 | 122 | ||||
| 314 | M | 50.1 | Low | 42.1 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | 95.2 | 172.5 | 82 | -70.9 | -73.5 | 108.1 | 0 | 0 | 113.8 | |||||
| 315 | P | 48.2 | Very low | 42.3 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 66% | 0.662 | 79% | 0.789 | S | S | * | * | -143.8 | -170.5 | -82.3 | 45.9 | -26 | 0 | 0 | 0 | 117.1 | |||||
| 316 | V | 38.6 | Very low | 42.3 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | trans | 65 | 118.8 | 156.5 | 176.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 317 | T | 42 | Very low | 42.6 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | -169.3 | 170.7 | 123.9 | 13.5 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 318 | A | 37 | Very low | 42.5 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -138.3 | 160.4 | -168 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 319 | V | 42.7 | Very low | 42.6 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | 176.1 | 107.3 | 158.2 | 141.7 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 320 | E | 39.5 | Very low | 42.5 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | 79.3 | 110 | 75.5 | -159.4 | -142.3 | 131.1 | 0 | 0 | 115.5 | |||||
| 321 | R | 42.9 | Very low | 41.6 | Very low | 239 Ų | 239 | 133.9 Ų | 133.9 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -173.2 | 127 | 143.8 | -169.9 | 173.7 | -178.6 | 90.1 | -0.5 | 112.2 | ||||
| 322 | P | 43.3 | Very low | 41.2 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -121.8 | 158.6 | 176.3 | 39.5 | -29.7 | 0 | 0 | 0 | 116.2 | ||||
| 323 | A | 48.9 | Very low | 40.7 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -163.1 | 136.3 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 324 | S | 39.8 | Very low | 40.5 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | cis | 72.7 | 100.3 | 23.7 | -150 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 325 | V | 41.8 | Very low | 39.8 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | 173.3 | 152.3 | 84.9 | 153.5 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 326 | S | 36.8 | Very low | 39 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | cis | -167.1 | 167.5 | -20.6 | -84.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 327 | P | 41.1 | Very low | 39 | Very low | 125 Ų | 125 | 133 Ų | 133 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | -110 | 172.1 | -164.8 | 40.6 | -36.2 | 0 | 0 | 0 | 118.2 | ||||
| 328 | S | 36.3 | Very low | 38.7 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | trans | 109.4 | 152 | 140.8 | -155.4 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 329 | K | 41 | Very low | 38.4 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | trans | 82.1 | 150.1 | 164.8 | -50.1 | -176.9 | -174.5 | 176 | 0 | 119.2 | ||||
| 330 | F | 36 | Very low | 38.1 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | cis | -162.5 | 138 | -11.5 | -115.3 | -152.6 | 0 | 0 | 0 | 107.8 | ||||
| 331 | I | 37.1 | Very low | 37.6 | Very low | 132 Ų | 132 | 133 Ų | 133 | 68% | 0.677 | 76% | 0.756 | S | S | * | * | 68.7 | 136.7 | 91.7 | -65.5 | -179.4 | 0 | 0 | 0 | 115.8 | |||||
| 332 | P | 39.2 | Very low | 37.3 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | cis | -151.2 | -180 | -28.8 | 45.3 | -24.4 | 0 | 0 | 0 | 118.6 | ||||
| 333 | A | 33.4 | Very low | 36.8 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | 47.7 | 159.7 | 136.6 | 0 | 0 | 0 | 0 | 0 | 127.9 | ||||
| 334 | S | 35.4 | Very low | 36.2 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | 84.2 | 146.1 | 162.8 | -63.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 335 | Q | 35.2 | Very low | 36 | Very low | 185 Ų | 185 | 133.7 Ų | 133.7 | 86% | 0.864 | 74% | 0.743 | S | S | * | * | cis | -160.3 | 165.1 | -10.1 | -115.2 | 164.5 | -42.1 | 0 | 0 | 110.9 | ||||
| 336 | L | 32 | Very low | 35.2 | Very low | 152 Ų | 152 | 134.7 Ų | 134.7 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | -102.8 | 158.3 | 173.9 | -144.1 | 90 | 0 | 0 | 0 | 111.1 | ||||
| 337 | P | 36.8 | Very low | 34.9 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | -157.3 | 164.2 | 97.4 | 41.3 | -22.4 | 0 | 0 | 0 | 118.6 | |||||
| 338 | H | 35.9 | Very low | 34.2 | Very low | 151 Ų | 151 | 136.9 Ų | 136.9 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | 20.2 | 152.1 | 133.2 | -63.8 | -95.1 | 0 | 0 | 0 | 122.1 | ||||
| 339 | D | 32.2 | Very low | 33.8 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | cis | -167.1 | 172.5 | 3.4 | -129.7 | -41.9 | 0 | 0 | 0 | 113.6 | ||||
| 340 | V | 35.1 | Very low | 33.2 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | trans | 59.8 | 148.2 | 148.2 | 161.9 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 341 | L | 30 | Very low | 32.9 | Very low | 148 Ų | 148 | 136 Ų | 136 | 78% | 0.775 | 76% | 0.755 | S | S | * | * | cis | -175.2 | 171 | -24.1 | -173.8 | 63.6 | 0 | 0 | 0 | 107.8 | ||||
| 342 | R | 35.3 | Very low | 32.6 | Very low | 215 Ų | 215 | 135.5 Ų | 135.5 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | trans | 79.7 | 144.1 | 162 | -80.6 | -158.3 | 145.6 | 158.6 | 2.8 | 118.6 | ||||
| 343 | D | 32.7 | Very low | 32.4 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | cis | -161.8 | -179.8 | -13.2 | -142.1 | -42.5 | 0 | 0 | 0 | 111.1 | ||||
| 344 | V | 36.9 | Very low | 32.5 | Very low | 130 Ų | 130 | 139 Ų | 139 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | trans | 78.6 | 141.7 | 165.3 | 174.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 345 | P | 34.9 | Very low | 32.5 | Very low | 105 Ų | 105 | 141.4 Ų | 141.4 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | -121.5 | 157.6 | -157.9 | 41.3 | -28 | 0 | 0 | 0 | 116.6 | ||||
| 346 | N | 26.9 | Very low | 32.2 | Very low | 152 Ų | 152 | 137.3 Ų | 137.3 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | 174.4 | 127.3 | 137.4 | -101 | -59.9 | 0 | 0 | 0 | 110.4 | ||||
| 347 | Q | 30.3 | Very low | 32.1 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 84% | 0.841 | 75% | 0.748 | S | S | * | * | trans | 155.8 | 139.3 | 138.5 | -87.4 | 174.5 | 59.4 | 0 | 0 | 114.9 | ||||
| 348 | C | 26.1 | Very low | 32.2 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 66% | 0.655 | 75% | 0.752 | S | S | * | * | trans | 56 | 116.4 | 139.7 | -59.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 349 | I | 27.7 | Very low | 32.5 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 82% | 0.815 | 74% | 0.744 | S | S | * | * | 55.6 | 78.4 | 125.7 | -49.4 | 165.3 | 0 | 0 | 0 | 116 | |||||
| 350 | G | 28.9 | Very low | 33 | Very low | 78 Ų | 78 | 132.3 Ų | 132.3 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | -104.3 | 129.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 351 | Q | 29.7 | Very low | 33.1 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | -80.3 | 138.1 | -177.2 | -62.7 | 173.2 | -4.2 | 0 | 0 | 112 | ||||
| 352 | N | 30 | Very low | 33.7 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 65% | 0.647 | 74% | 0.743 | S | S | * | * | trans | -128.6 | 97.4 | 167.1 | -171.9 | -25.6 | 0 | 0 | 0 | 109.9 | H354 | N352-H354 VanDerWaalsContact C-N 3.32Å; N352-H354 PolarHBondContact O-N 3.36Å; N352-H354 PolarHBondContact OD1-N 2.76Å | ||
| 353 | P | 34.3 | Very low | 33.6 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | -79.9 | -7 | -174.4 | 31.1 | -35 | 0 | 0 | 0 | 114.2 | L355 | P353-L355 PolarHBondContact O-N 2.97Š| ||
| 354 | H | 36.4 | Very low | 34.4 | Very low | 163 Ų | 163 | 129.3 Ų | 129.3 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 13.3 | -161.5 | -146.2 | -60.7 | 0 | 0 | 0 | 115.6 | N352 | N352-H354 VanDerWaalsContact C-N 3.32Å; N352-H354 PolarHBondContact O-N 3.36Å; N352-H354 PolarHBondContact OD1-N 2.76Å |
| 355 | L | 34.1 | Very low | 35.1 | Very low | 154 Ų | 154 | 125.3 Ų | 125.3 | 81% | 0.806 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107 | 0.5 | 173.9 | -77 | 171.6 | 0 | 0 | 0 | 114.1 | P353 A357 | P353-L355 PolarHBondContact O-N 2.97Å; L355-A357 PolarHBondContact O-N 2.76Å |
| 356 | A | 29.8 | Very low | 36.3 | Very low | 100 Ų | 100 | 123.8 Ų | 123.8 | 83% | 0.826 | 71% | 0.708 | S | S | * | * | trans | -93.9 | 66.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 357 | A | 31 | Very low | 38.2 | Very low | 74 Ų | 74 | 119.9 Ų | 119.9 | 61% | 0.612 | 69% | 0.693 | S | S | * | * | trans | -131.6 | 147.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L355 | L355-A357 PolarHBondContact O-N 2.76Š| ||
| 358 | I | 38.1 | Very low | 39.9 | Very low | 155 Ų | 155 | 114 Ų | 114 | 80% | 0.795 | 67% | 0.666 | S | S | * | * | trans | 69.8 | 60.6 | -172.3 | -38.1 | 173.7 | 0 | 0 | 0 | 113.2 | ||||
| 359 | I | 42.5 | Very low | 42 | Very low | 104 Ų | 104 | 113.6 Ų | 113.6 | 53% | 0.533 | 66% | 0.655 | S | S | . | * | S | Bend | trans | -115.4 | 129.3 | 144.1 | -62.8 | 177.5 | 0 | 0 | 0 | 105.8 | A277 N361 | A277-I359 HydrophobicContact CB-CD1 3.58Å; I359-N361 PolarHBondContact O-N 2.83Å |
| 360 | P | 42 | Very low | 44.4 | Very low | 100 Ų | 100 | 109.5 Ų | 109.5 | 65% | 0.649 | 64% | 0.637 | S | S | * | * | trans | -61.3 | 129.6 | -179.8 | -24.5 | 34.9 | 0 | 0 | 0 | 112 | H362 | P360-H362 PolarHBondContact O-N 3.48Š| ||
| 361 | N | 36.6 | Very low | 46.6 | Very low | 147 Ų | 147 | 106.1 Ų | 106.1 | 79% | 0.786 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -83.8 | 48.6 | -168.4 | -152.5 | 15 | 0 | 0 | 0 | 113.4 | I359 | I359-N361 PolarHBondContact O-N 2.83Š|
| 362 | H | 42.6 | Very low | 49.1 | Very low | 158 Ų | 158 | 102 Ų | 102 | 73% | 0.731 | 58% | 0.579 | S | S | * | * | trans | -129.9 | 38.2 | 179.2 | -87.9 | -80.4 | 0 | 0 | 0 | 111.9 | P360 Q364 I368 | P360-H362 PolarHBondContact O-N 3.48Å; H362-Q364 PolarHBondContact O-N 3.45Å; H362-Q364 VanDerWaalsContact O-N 3.11Å; H362-I368 VanDerWaalsContact O-CD1 3.24Å; H362-I368 WeakPolarHBondContact O-CD1 3.18Å | ||
| 363 | A | 34.5 | Very low | 51.4 | Low | 42 Ų | 42 | 99.4 Ų | 99.4 | 35% | 0.347 | 57% | 0.57 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | 91.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 364 | Q | 48.7 | Very low | 53.7 | Low | 198 Ų | 198 | 98 Ų | 98 | 93% | 0.925 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157 | -13.1 | 166.7 | -126.6 | 158.7 | 101.2 | 0 | 0 | 118.2 | H362 | H362-Q364 PolarHBondContact O-N 3.45Å; H362-Q364 VanDerWaalsContact O-N 3.11Å |
| 365 | S | 52.9 | Low | 56.1 | Low | 46 Ų | 46 | 90.2 Ų | 90.2 | 32% | 0.322 | 52% | 0.518 | S | S | . | . | trans | -102.4 | 144 | 173.1 | 78.1 | 0 | 0 | 0 | 0 | 112.6 | S367 I368 | S365-S367 WeakPolarHBondContact CB-OG 3.45Å; S365-S367 PolarHBondContact O-N 2.96Å; S365-S367 PolarHBondContact OG-OG 3.13Å; S365-I368 PolarHBondContact O-N 2.75Å; S365-I368 WeakPolarHBondContact OG-CD1 3.5Å; S365-I368 VanDerWaalsContact OG-CG1 3.29Å; S365-I368 WeakPolarHBondContact OG-CG1 3.48Å; S365-I368 PolarHBondContact OG-N 3.32Å | ||
| 366 | A | 58.3 | Low | 58.6 | Low | 73 Ų | 73 | 85.7 Ų | 85.7 | 60% | 0.603 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.9 | -31.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I368 Q369 T370 | A366-I368 VanDerWaalsContact C-N 3.29Å; A366-I368 PolarHBondContact O-N 3.28Å; A366-Q369 PolarHBondContact O-N 3.39Å; A366-Q369 VanDerWaalsContact O-N 3.09Å; A366-T370 PolarHBondContact O-N 3.37Å; A366-T370 PolarHBondContact O-OG1 2.7Å |
| 367 | S | 66.7 | Low | 61.2 | Low | 70 Ų | 70 | 83.5 Ų | 83.5 | 49% | 0.49 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.5 | -33.2 | 178.5 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | S365 A371 | S365-S367 WeakPolarHBondContact CB-OG 3.45Å; S365-S367 PolarHBondContact O-N 2.96Å; S365-S367 PolarHBondContact OG-OG 3.13Å; S367-A371 WeakPolarHBondContact O-CB 3.43Å; S367-A371 PolarHBondContact O-N 2.75Å |
| 368 | I | 67.2 | Low | 63.9 | Low | 55 Ų | 55 | 81.8 Ų | 81.8 | 28% | 0.282 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 174.6 | -69.2 | 163.2 | 0 | 0 | 0 | 110.5 | H362 S365 A366 Y372 Y423 | H362-I368 VanDerWaalsContact O-CD1 3.24Å; H362-I368 WeakPolarHBondContact O-CD1 3.18Å; S365-I368 PolarHBondContact O-N 2.75Å; S365-I368 WeakPolarHBondContact OG-CD1 3.5Å; S365-I368 VanDerWaalsContact OG-CG1 3.29Å; S365-I368 WeakPolarHBondContact OG-CG1 3.48Å; S365-I368 PolarHBondContact OG-N 3.32Å; A366-I368 VanDerWaalsContact C-N 3.29Å; A366-I368 PolarHBondContact O-N 3.28Å; I368-Y372 WeakPolarHBondContact O-CB 3.44Å; I368-Y372 PolarHBondContact O-N 2.89Å; I368-Y423 HydrophobicContact CD1-CE1 4.43Å; I368-Y423 HydrophobicContact CG1-CE1 3.56Å; I368-Y423 WeakPolarHBondContact CG1-OH 3.15Å |
| 369 | Q | 69.6 | Low | 66.4 | Low | 89 Ų | 89 | 74.4 Ų | 74.4 | 42% | 0.416 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.9 | -44.5 | -179.7 | -55.7 | -160.7 | -13.7 | 0 | 0 | 111.5 | Y274 A366 Y372 S373 | Y274-Q369 WeakPolarHBondContact OH-CG 3.42Å; Y274-Q369 PolarHBondContact OH-NE2 3Å; Y274-Q369 VanDerWaalsContact OH-NE2 3.08Å; A366-Q369 PolarHBondContact O-N 3.39Å; A366-Q369 VanDerWaalsContact O-N 3.09Å; Q369-Y372 PolarHBondContact O-N 3.34Å; Q369-S373 PolarHBondContact O-N 3.19Å; Q369-S373 PolarHBondContact O-OG 3.34Å |
| 370 | T | 78.3 | Confident | 68.5 | Low | 74 Ų | 74 | 72.9 Ų | 72.9 | 45% | 0.454 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 176.2 | -51.5 | 0 | 0 | 0 | 0 | 111.8 | A366 S373 M374 | A366-T370 PolarHBondContact O-N 3.37Å; A366-T370 PolarHBondContact O-OG1 2.7Å; T370-S373 PolarHBondContact O-N 3.23Å; T370-S373 PolarHBondContact O-OG 3.44Å; T370-S373 VanDerWaalsContact O-OG 3.04Å; T370-M374 HydrophobicContact CG2-CE 4.18Å; T370-M374 HydrophobicContact CG2-SD 4.35Å; T370-M374 WeakPolarHBondContact O-CB 3.29Å; T370-M374 VanDerWaalsContact O-CG 3.28Å; T370-M374 WeakPolarHBondContact O-CG 3.36Å; T370-M374 PolarHBondContact O-N 2.56Å |
| 371 | A | 74.9 | Confident | 70.6 | Confident | 6 Ų | 6 | 74.6 Ų | 74.6 | 5% | 0.05 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.3 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S367 A375 H421 Y423 | S367-A371 WeakPolarHBondContact O-CB 3.43Å; S367-A371 PolarHBondContact O-N 2.75Å; A371-A375 VanDerWaalsContact O-CB 3.28Å; A371-A375 WeakPolarHBondContact O-CB 3.31Å; A371-A375 PolarHBondContact O-N 3.33Å; A371-H421 HydrophobicContact CB-CB 4.13Å; A371-Y423 HydrophobicContact CB-CD2 3.95Å; A371-Y423 HydrophobicContact CB-CE2 3.33Å |
| 372 | Y | 82.2 | Confident | 73 | Confident | 102 Ų | 102 | 69.6 Ų | 69.6 | 40% | 0.4 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 174.8 | -175.6 | -89.8 | 0 | 0 | 0 | 112 | I368 Q369 A375 Y376 L418 | I368-Y372 WeakPolarHBondContact O-CB 3.44Å; I368-Y372 PolarHBondContact O-N 2.89Å; Q369-Y372 PolarHBondContact O-N 3.34Å; Y372-A375 PolarHBondContact O-N 3.44Å; Y372-Y376 HydrophobicContact CE1-CD2 4.1Å; Y372-Y376 VanDerWaalsContact O-CB 3.26Å; Y372-Y376 WeakPolarHBondContact O-CB 3.36Å; Y372-Y376 PolarHBondContact O-N 2.64Å; Y372-L418 HydrophobicContact CD2-CD2 3.92Å |
| 373 | S | 79.7 | Confident | 75.2 | Confident | 66 Ų | 66 | 62 Ų | 62 | 46% | 0.462 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -71.2 | -35.2 | 178.7 | 66.6 | 0 | 0 | 0 | 0 | 113.1 | Q369 T370 S377 | Q369-S373 PolarHBondContact O-N 3.19Å; Q369-S373 PolarHBondContact O-OG 3.34Å; T370-S373 PolarHBondContact O-N 3.23Å; T370-S373 PolarHBondContact O-OG 3.44Å; T370-S373 VanDerWaalsContact O-OG 3.04Å; S373-S377 WeakPolarHBondContact O-CB 3.45Å; S373-S377 PolarHBondContact O-N 3.46Å; S373-S377 PolarHBondContact O-OG 3.4Å; S373-S377 VanDerWaalsContact O-OG 3.06Å |
| 374 | M | 81.8 | Confident | 77.5 | Confident | 81 Ų | 81 | 62.4 Ų | 62.4 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64 | -48.6 | 169.1 | -70.4 | -174.1 | -53.9 | 0 | 0 | 111.1 | T370 Y376 S377 S378 | T370-M374 HydrophobicContact CG2-CE 4.18Å; T370-M374 HydrophobicContact CG2-SD 4.35Å; T370-M374 WeakPolarHBondContact O-CB 3.29Å; T370-M374 VanDerWaalsContact O-CG 3.28Å; T370-M374 WeakPolarHBondContact O-CG 3.36Å; T370-M374 PolarHBondContact O-N 2.56Å; M374-Y376 VanDerWaalsContact C-N 3.32Å; M374-Y376 PolarHBondContact O-N 3.22Å; M374-S377 PolarHBondContact O-N 3.01Å; M374-S377 PolarHBondContact O-OG 3.11Å; M374-S377 VanDerWaalsContact O-OG 3.07Å; M374-S378 WeakPolarHBondContact O-CB 3.48Å; M374-S378 PolarHBondContact O-N 3.02Å; M374-S378 PolarHBondContact O-OG 3.13Å; M374-S378 VanDerWaalsContact O-OG 3.07Å |
| 375 | A | 85.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59 | -42.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A371 Y372 A379 L414 L418 | A371-A375 VanDerWaalsContact O-CB 3.28Å; A371-A375 WeakPolarHBondContact O-CB 3.31Å; A371-A375 PolarHBondContact O-N 3.33Å; Y372-A375 PolarHBondContact O-N 3.44Å; A375-A379 WeakPolarHBondContact O-CB 3.43Å; A375-A379 PolarHBondContact O-N 3.18Å; A375-L414 HydrophobicContact CB-CD1 4.23Å; A375-L418 HydrophobicContact CB-CD2 3.77Å; A375-L418 HydrophobicContact CB-CG 3.97Å |
| 376 | Y | 88.3 | Confident | 80.5 | Confident | 59 Ų | 59 | 57.2 Ų | 57.2 | 23% | 0.231 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 178.1 | -169.3 | -75.5 | 0 | 0 | 0 | 112 | Y267 Y372 M374 A379 Y380 F410 | Y267-Y376 HydrophobicContact CD2-CE1 4.46Å; Y372-Y376 HydrophobicContact CE1-CD2 4.1Å; Y372-Y376 VanDerWaalsContact O-CB 3.26Å; Y372-Y376 WeakPolarHBondContact O-CB 3.36Å; Y372-Y376 PolarHBondContact O-N 2.64Å; M374-Y376 VanDerWaalsContact C-N 3.32Å; M374-Y376 PolarHBondContact O-N 3.22Å; Y376-A379 PolarHBondContact O-N 3.33Å; Y376-Y380 VanDerWaalsContact O-CB 3.31Å; Y376-Y380 WeakPolarHBondContact O-CB 3.3Å; Y376-Y380 PolarHBondContact O-N 3.46Å; Y376-F410 HydrophobicContact CD1-CZ 4.42Å; Y376-F410 AromaticContact CD2-CZ 3.76Å; Y376-F410 HydrophobicContact CD2-CZ 3.76Å; Y376-F410 HydrophobicContact CE1-CZ 4.23Å; Y376-F410 HydrophobicContact CE2-CE1 4.11Å; Y376-F410 AromaticContact CE2-CZ 3.55Å; Y376-F410 HydrophobicContact CE2-CZ 3.55Å; Y376-F410 HydrophobicContact CG-CZ 4.18Å; Y376-F410 AromaticContact CZ-CZ 3.79Å |
| 377 | S | 83.8 | Confident | 81.4 | Confident | 55 Ų | 55 | 54.8 Ų | 54.8 | 39% | 0.385 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.2 | -42.3 | -179.3 | 62.5 | 0 | 0 | 0 | 0 | 112 | S373 M374 Y380 Q381 | S373-S377 WeakPolarHBondContact O-CB 3.45Å; S373-S377 PolarHBondContact O-N 3.46Å; S373-S377 PolarHBondContact O-OG 3.4Å; S373-S377 VanDerWaalsContact O-OG 3.06Å; M374-S377 PolarHBondContact O-N 3.01Å; M374-S377 PolarHBondContact O-OG 3.11Å; M374-S377 VanDerWaalsContact O-OG 3.07Å; S377-Y380 PolarHBondContact O-N 2.92Å; S377-Q381 WeakPolarHBondContact O-CG 3.41Å; S377-Q381 PolarHBondContact O-N 2.72Å |
| 378 | S | 87.3 | Confident | 81.6 | Confident | 38 Ų | 38 | 56.4 Ų | 56.4 | 27% | 0.266 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 173.7 | -56 | 0 | 0 | 0 | 0 | 112.2 | M374 Y380 Q381 E382 Y417 | M374-S378 WeakPolarHBondContact O-CB 3.48Å; M374-S378 PolarHBondContact O-N 3.02Å; M374-S378 PolarHBondContact O-OG 3.13Å; M374-S378 VanDerWaalsContact O-OG 3.07Å; S378-Y380 VanDerWaalsContact C-N 3.32Å; S378-Y380 PolarHBondContact O-N 2.67Å; S378-Q381 PolarHBondContact O-N 3.19Å; S378-E382 PolarHBondContact O-N 3.23Å; S378-Y417 VanDerWaalsContact C-CE2 3.49Å; S378-Y417 VanDerWaalsContact CB-CE2 3.49Å |
| 379 | A | 89.9 | Confident | 81.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62 | -38.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | A375 Y376 T383 F410 L414 Y417 | A375-A379 WeakPolarHBondContact O-CB 3.43Å; A375-A379 PolarHBondContact O-N 3.18Å; Y376-A379 PolarHBondContact O-N 3.33Å; A379-T383 VanDerWaalsContact O-CB 3.25Å; A379-T383 WeakPolarHBondContact O-CB 3.37Å; A379-T383 PolarHBondContact O-N 2.81Å; A379-T383 PolarHBondContact O-OG1 2.93Å; A379-F410 HydrophobicContact CB-CD2 4.14Å; A379-F410 HydrophobicContact CB-CE2 3.84Å; A379-L414 HydrophobicContact CB-CB 3.98Å; A379-L414 HydrophobicContact CB-CD1 4.45Å; A379-Y417 HydrophobicContact CB-CD2 4.1Å |
| 380 | Y | 86.9 | Confident | 81.3 | Confident | 72 Ų | 72 | 56.7 Ų | 56.7 | 28% | 0.282 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.2 | -47.3 | 177.4 | -173.9 | -97.1 | 0 | 0 | 0 | 111.7 | Y376 S377 S378 T383 L384 W406 | Y376-Y380 VanDerWaalsContact O-CB 3.31Å; Y376-Y380 WeakPolarHBondContact O-CB 3.3Å; Y376-Y380 PolarHBondContact O-N 3.46Å; S377-Y380 PolarHBondContact O-N 2.92Å; S378-Y380 VanDerWaalsContact C-N 3.32Å; S378-Y380 PolarHBondContact O-N 2.67Å; Y380-T383 PolarHBondContact O-N 3.33Å; Y380-L384 HydrophobicContact CD1-CD1 3.94Å; Y380-L384 HydrophobicContact CE1-CD1 3.39Å; Y380-L384 HydrophobicContact CE1-CG 4.22Å; Y380-L384 WeakPolarHBondContact O-CG 3.48Å; Y380-L384 PolarHBondContact O-N 3.49Å; Y380-W406 HydrophobicContact CD2-CH2 4.08Å; Y380-W406 AromaticContact CD2-CZ2 3.67Å; Y380-W406 HydrophobicContact CD2-CZ2 3.67Å; Y380-W406 HydrophobicContact CE2-CH2 4.3Å; Y380-W406 AromaticContact CE2-CZ2 3.72Å; Y380-W406 HydrophobicContact CE2-CZ2 3.72Å |
| 381 | Q | 87.5 | Confident | 80 | Confident | 135 Ų | 135 | 59.2 Ų | 59.2 | 63% | 0.631 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.9 | -48.9 | 178.5 | -72.6 | -176.4 | 11.1 | 0 | 0 | 112.4 | S377 S378 T383 L384 K385 | S377-Q381 WeakPolarHBondContact O-CG 3.41Å; S377-Q381 PolarHBondContact O-N 2.72Å; S378-Q381 PolarHBondContact O-N 3.19Å; Q381-T383 VanDerWaalsContact C-N 3.3Å; Q381-T383 PolarHBondContact O-N 3.25Å; Q381-L384 PolarHBondContact O-N 3.37Å; Q381-K385 WeakPolarHBondContact O-CB 3.11Å; Q381-K385 PolarHBondContact O-N 2.94Å |
| 382 | E | 86.4 | Confident | 79 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69 | -31.3 | -178.4 | -161.8 | 60.7 | -149.5 | 0 | 0 | 111.5 | S378 K385 F386 Y413 | S378-E382 PolarHBondContact O-N 3.23Å; E382-K385 PolarHBondContact O-N 3.42Å; E382-K385 IonicContact OE1-NZ 3.16Å; E382-K385 PolarHBondContact OE1-NZ 3.01Å; E382-K385 IonicContact OE2-NZ 2.65Å; E382-K385 PolarHBondContact OE2-NZ 2.97Å; E382-F386 WeakPolarHBondContact O-CB 3.5Å; E382-F386 PolarHBondContact O-N 3.33Å; E382-Y413 HydrophobicContact CB-CD1 4.23Å; E382-Y413 HydrophobicContact CB-CD2 4.42Å; E382-Y413 HydrophobicContact CB-CE1 4.23Å; E382-Y413 HydrophobicContact CB-CE2 4.42Å; E382-Y413 HydrophobicContact CB-CG 4.33Å; E382-Y413 HydrophobicContact CG-CD1 3.98Å; E382-Y413 HydrophobicContact CG-CE1 3.53Å; E382-Y413 HydrophobicContact CG-CE2 4.2Å |
| 383 | T | 88.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -48.7 | 169.9 | -58.8 | 0 | 0 | 0 | 0 | 111.8 | A379 Y380 Q381 K385 F386 M387 W406 F410 Y413 | A379-T383 VanDerWaalsContact O-CB 3.25Å; A379-T383 WeakPolarHBondContact O-CB 3.37Å; A379-T383 PolarHBondContact O-N 2.81Å; A379-T383 PolarHBondContact O-OG1 2.93Å; Y380-T383 PolarHBondContact O-N 3.33Å; Q381-T383 VanDerWaalsContact C-N 3.3Å; Q381-T383 PolarHBondContact O-N 3.25Å; T383-K385 PolarHBondContact O-N 2.99Å; T383-F386 PolarHBondContact O-N 3.47Å; T383-M387 HydrophobicContact CG2-CG 4.14Å; T383-M387 WeakPolarHBondContact O-CB 3.43Å; T383-M387 WeakPolarHBondContact O-CG 3.44Å; T383-M387 PolarHBondContact O-N 3.09Å; T383-W406 HydrophobicContact CG2-CD2 4.1Å; T383-W406 HydrophobicContact CG2-CG 4.04Å; T383-W406 HydrophobicContact CG2-CZ2 4.33Å; T383-F410 HydrophobicContact CG2-CB 4.3Å; T383-F410 VanDerWaalsContact OG1-CA 3.29Å; T383-F410 WeakPolarHBondContact OG1-CA 3.36Å; T383-F410 PolarHBondContact OG1-N 2.95Å; T383-Y413 WeakPolarHBondContact OG1-CD2 3.48Å |
| 384 | L | 82.8 | Confident | 76.3 | Confident | 49 Ų | 49 | 62.8 Ų | 62.8 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 177.3 | -73.6 | 179.9 | 0 | 0 | 0 | 111.3 | Y380 Q381 F386 M387 S388 | Y380-L384 HydrophobicContact CD1-CD1 3.94Å; Y380-L384 HydrophobicContact CE1-CD1 3.39Å; Y380-L384 HydrophobicContact CE1-CG 4.22Å; Y380-L384 WeakPolarHBondContact O-CG 3.48Å; Y380-L384 PolarHBondContact O-N 3.49Å; Q381-L384 PolarHBondContact O-N 3.37Å; L384-F386 PolarHBondContact O-N 3.1Å; L384-M387 PolarHBondContact O-N 3.39Å; L384-S388 WeakPolarHBondContact O-CB 3.5Å; L384-S388 PolarHBondContact O-N 3.31Å; L384-S388 PolarHBondContact O-OG 3.22Å |
| 385 | K | 83.6 | Confident | 75.4 | Confident | 114 Ų | 114 | 61.7 Ų | 61.7 | 50% | 0.496 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.5 | -44.3 | 177.8 | 174.6 | 167.5 | 159.7 | -109.9 | 0 | 112.2 | Q381 E382 T383 S388 T389 | Q381-K385 WeakPolarHBondContact O-CB 3.11Å; Q381-K385 PolarHBondContact O-N 2.94Å; E382-K385 PolarHBondContact O-N 3.42Å; E382-K385 IonicContact OE1-NZ 3.16Å; E382-K385 PolarHBondContact OE1-NZ 3.01Å; E382-K385 IonicContact OE2-NZ 2.65Å; E382-K385 PolarHBondContact OE2-NZ 2.97Å; T383-K385 PolarHBondContact O-N 2.99Å; K385-S388 PolarHBondContact O-N 3.16Å; K385-T389 WeakPolarHBondContact O-CB 2.93Å; K385-T389 VanDerWaalsContact O-CG2 3.31Å; K385-T389 WeakPolarHBondContact O-CG2 3.24Å; K385-T389 PolarHBondContact O-N 3.48Å; K385-T389 PolarHBondContact O-OG1 3.44Å |
| 386 | F | 80.3 | Confident | 74.3 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 10% | 0.096 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.7 | -45.1 | 176.1 | -169.6 | -86.7 | 0 | 0 | 0 | 112.3 | E382 T383 L384 S388 T389 N390 Y409 Y413 L441 | E382-F386 WeakPolarHBondContact O-CB 3.5Å; E382-F386 PolarHBondContact O-N 3.33Å; T383-F386 PolarHBondContact O-N 3.47Å; L384-F386 PolarHBondContact O-N 3.1Å; F386-S388 PolarHBondContact O-N 3.24Å; F386-T389 PolarHBondContact O-N 3.07Å; F386-T389 PolarHBondContact O-OG1 2.76Å; F386-N390 HydrophobicContact CD1-CB 4.37Å; F386-N390 HydrophobicContact CE1-CB 3.92Å; F386-N390 VanDerWaalsContact CE1-ND2 3.27Å; F386-N390 WeakPolarHBondContact CE1-ND2 3.37Å; F386-N390 HydrophobicContact CZ-CB 4.22Å; F386-N390 WeakPolarHBondContact CZ-ND2 3.23Å; F386-N390 WeakPolarHBondContact O-CB 3.45Å; F386-N390 PolarHBondContact O-N 2.95Å; F386-Y409 HydrophobicContact CD1-CD1 4.21Å; F386-Y409 HydrophobicContact CD1-CD2 4.02Å; F386-Y409 AromaticContact CD1-CE1 3.94Å; F386-Y409 HydrophobicContact CD1-CE1 3.94Å; F386-Y409 AromaticContact CD1-CE2 3.69Å; F386-Y409 HydrophobicContact CD1-CE2 3.69Å; F386-Y409 HydrophobicContact CD1-CG 4.29Å; F386-Y409 AromaticContact CD1-CZ 3.68Å; F386-Y409 HydrophobicContact CE1-CD1 4.38Å; F386-Y409 HydrophobicContact CE1-CD2 4.4Å; F386-Y409 AromaticContact CE1-CE1 3.65Å; F386-Y409 HydrophobicContact CE1-CE1 3.65Å; F386-Y409 AromaticContact CE1-CE2 3.64Å; F386-Y409 HydrophobicContact CE1-CE2 3.64Å; F386-Y409 AromaticContact CE1-CZ 3.23Å; F386-Y409 VanDerWaalsContact CE1-OH 3.31Å; F386-Y409 WeakPolarHBondContact CE1-OH 3.18Å; F386-Y409 HydrophobicContact CZ-CE1 4.25Å; F386-Y413 HydrophobicContact CB-CE2 4.5Å; F386-L441 HydrophobicContact CD2-CD2 3.98Å; F386-L441 HydrophobicContact CE1-CD2 4.4Å; F386-L441 HydrophobicContact CE2-CD2 3.44Å; F386-L441 VanDerWaalsContact CE2-CD2 3.44Å; F386-L441 HydrophobicContact CZ-CD2 3.67Å; F386-L441 HydrophobicContact CZ-CG 4.46Å |
| 387 | M | 77.5 | Confident | 73.2 | Confident | 22 Ų | 22 | 63.9 Ų | 63.9 | 11% | 0.108 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.9 | -28.3 | 178.5 | -67.4 | -74.3 | -68.6 | 0 | 0 | 112.5 | T383 L384 Y402 W406 Y409 | T383-M387 HydrophobicContact CG2-CG 4.14Å; T383-M387 WeakPolarHBondContact O-CB 3.43Å; T383-M387 WeakPolarHBondContact O-CG 3.44Å; T383-M387 PolarHBondContact O-N 3.09Å; L384-M387 PolarHBondContact O-N 3.39Å; M387-Y402 HydrophobicContact CE-CD1 4.32Å; M387-Y402 HydrophobicContact CE-CD2 3.44Å; M387-Y402 VanDerWaalsContact CE-CD2 3.44Å; M387-Y402 HydrophobicContact CE-CE1 4.13Å; M387-Y402 HydrophobicContact CE-CE2 3.25Å; M387-Y402 HydrophobicContact CE-CG 3.98Å; M387-W406 HydrophobicContact CE-CB 4.1Å; M387-Y409 HydrophobicContact CG-CD2 4.43Å; M387-Y409 HydrophobicContact SD-CD2 3.63Å; M387-Y409 HydrophobicContact SD-CE2 3.95Å |
| 388 | S | 71.4 | Confident | 72.4 | Confident | 103 Ų | 103 | 66.8 Ų | 66.8 | 72% | 0.72 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -86.4 | -30.6 | 178.6 | -53.4 | 0 | 0 | 0 | 0 | 113.5 | L384 K385 F386 | L384-S388 WeakPolarHBondContact O-CB 3.5Å; L384-S388 PolarHBondContact O-N 3.31Å; L384-S388 PolarHBondContact O-OG 3.22Å; K385-S388 PolarHBondContact O-N 3.16Å; F386-S388 PolarHBondContact O-N 3.24Å |
| 389 | T | 68.7 | Low | 71.9 | Confident | 96 Ų | 96 | 67 Ų | 67 | 59% | 0.589 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -88.5 | -24.6 | -178.9 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | K385 F386 T391 | K385-T389 WeakPolarHBondContact O-CB 2.93Å; K385-T389 VanDerWaalsContact O-CG2 3.31Å; K385-T389 WeakPolarHBondContact O-CG2 3.24Å; K385-T389 PolarHBondContact O-N 3.48Å; K385-T389 PolarHBondContact O-OG1 3.44Å; F386-T389 PolarHBondContact O-N 3.07Å; F386-T389 PolarHBondContact O-OG1 2.76Å; T389-T391 PolarHBondContact O-N 3.49Å; T389-T391 VanDerWaalsContact O-N 3.07Å |
| 390 | N | 61.2 | Low | 71.4 | Confident | 54 Ų | 54 | 74 Ų | 74 | 29% | 0.289 | 42% | 0.419 | S | S | . | . | trans | -81.9 | 88.1 | -178.3 | -168.3 | -24.2 | 0 | 0 | 0 | 112.2 | F386 G392 C393 | F386-N390 HydrophobicContact CD1-CB 4.37Å; F386-N390 HydrophobicContact CE1-CB 3.92Å; F386-N390 VanDerWaalsContact CE1-ND2 3.27Å; F386-N390 WeakPolarHBondContact CE1-ND2 3.37Å; F386-N390 HydrophobicContact CZ-CB 4.22Å; F386-N390 WeakPolarHBondContact CZ-ND2 3.23Å; F386-N390 WeakPolarHBondContact O-CB 3.45Å; F386-N390 PolarHBondContact O-N 2.95Å; N390-G392 PolarHBondContact O-N 3.08Å; N390-G392 WeakPolarHBondContact OD1-CA 3.37Å; N390-G392 PolarHBondContact OD1-N 3.17Å; N390-C393 WeakPolarHBondContact O-CB 3.11Å; N390-C393 PolarHBondContact O-N 3.1Å | ||
| 391 | T | 51.9 | Low | 70.8 | Confident | 128 Ų | 128 | 75.6 Ų | 75.6 | 79% | 0.785 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -10.9 | 176.2 | -3.9 | 0 | 0 | 0 | 0 | 114.8 | T389 C393 N394 | T389-T391 PolarHBondContact O-N 3.49Å; T389-T391 VanDerWaalsContact O-N 3.07Å; T391-C393 VanDerWaalsContact C-N 3.29Å; T391-N394 PolarHBondContact O-ND2 3.08Å; T391-N394 VanDerWaalsContact O-ND2 3.13Å |
| 392 | G | 53 | Low | 70.4 | Confident | 61 Ų | 61 | 71.9 Ų | 71.9 | 63% | 0.629 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -22.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N390 N394 | N390-G392 PolarHBondContact O-N 3.08Å; N390-G392 WeakPolarHBondContact OD1-CA 3.37Å; N390-G392 PolarHBondContact OD1-N 3.17Å; G392-N394 PolarHBondContact O-N 3.05Å; G392-N394 VanDerWaalsContact O-N 3.09Å |
| 393 | C | 51.1 | Low | 70 | Confident | 37 Ų | 37 | 73 Ų | 73 | 25% | 0.25 | 42% | 0.419 | C | S | . | . | trans | -85.6 | 67.2 | 179.9 | -70.9 | 0 | 0 | 0 | 0 | 112.4 | N390 T391 L395 | N390-C393 WeakPolarHBondContact O-CB 3.11Å; N390-C393 PolarHBondContact O-N 3.1Å; T391-C393 VanDerWaalsContact C-N 3.29Å; C393-L395 HydrophobicContact CB-CD1 4.05Å; C393-L395 PolarHBondContact O-N 3.45Å | ||
| 394 | N | 54.2 | Low | 69.6 | Low | 151 Ų | 151 | 75.7 Ų | 75.7 | 81% | 0.807 | 44% | 0.438 | S | S | * | . | trans | -72.6 | 51.2 | 167.8 | -79.6 | -85.2 | 0 | 0 | 0 | 112.1 | T391 G392 | T391-N394 PolarHBondContact O-ND2 3.08Å; T391-N394 VanDerWaalsContact O-ND2 3.13Å; G392-N394 PolarHBondContact O-N 3.05Å; G392-N394 VanDerWaalsContact O-N 3.09Å | ||
| 395 | L | 62.6 | Low | 69.6 | Low | 58 Ų | 58 | 74.8 Ų | 74.8 | 30% | 0.304 | 43% | 0.433 | S | S | . | . | trans | -107.5 | 113.1 | 178.3 | -69.6 | 77.6 | 0 | 0 | 0 | 107.7 | C393 E401 Y402 | C393-L395 HydrophobicContact CB-CD1 4.05Å; C393-L395 PolarHBondContact O-N 3.45Å; L395-E401 HydrophobicContact CD2-CB 3.61Å; L395-Y402 HydrophobicContact CB-CD2 4.43Å; L395-Y402 WeakPolarHBondContact O-CD2 3.35Å | ||
| 396 | A | 63.1 | Low | 69.8 | Low | 61 Ų | 61 | 70.8 Ų | 70.8 | 50% | 0.504 | 41% | 0.414 | S | S | . | . | trans | -60.1 | 141.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | N398 T399 Y402 | A396-N398 PolarHBondContact O-N 3.42Å; A396-N398 VanDerWaalsContact O-N 3.13Å; A396-T399 HydrophobicContact CB-CG2 4.22Å; A396-T399 WeakPolarHBondContact O-CB 3.48Å; A396-T399 WeakPolarHBondContact O-CG2 3.29Å; A396-T399 PolarHBondContact O-N 3.04Å; A396-T399 PolarHBondContact O-OG1 3.46Å; A396-Y402 WeakPolarHBondContact O-CB 3.37Å | ||
| 397 | P | 66 | Low | 70.1 | Confident | 44 Ų | 44 | 74.2 Ų | 74.2 | 29% | 0.286 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -26.3 | -168.2 | 25 | -34.9 | 0 | 0 | 0 | 113.7 | E259 T399 Y402 | E259-P397 WeakPolarHBondContact OE1-CB 3.18Å; E259-P397 VanDerWaalsContact OE1-CG 3.31Å; E259-P397 WeakPolarHBondContact OE1-CG 3.43Å; P397-T399 PolarHBondContact O-N 2.78Å; P397-Y402 HydrophobicContact CB-CD1 4.21Å; P397-Y402 HydrophobicContact CB-CD2 4.31Å; P397-Y402 HydrophobicContact CB-CE1 3.98Å; P397-Y402 HydrophobicContact CB-CE2 4.05Å; P397-Y402 HydrophobicContact CB-CG 4.39Å; P397-Y402 VanDerWaalsContact O-CD1 3.26Å; P397-Y402 WeakPolarHBondContact O-CD1 3.49Å |
| 398 | N | 67.3 | Low | 70.4 | Confident | 116 Ų | 116 | 80 Ų | 80 | 62% | 0.62 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | 2.4 | 172.5 | -80.6 | -69.7 | 0 | 0 | 0 | 115.2 | E259 A396 | E259-N398 PolarHBondContact OE1-N 3.15Å; E259-N398 VanDerWaalsContact OE1-N 3.11Å; E259-N398 PolarHBondContact OE1-ND2 3.37Å; E259-N398 PolarHBondContact OE1-OD1 2.86Å; E259-N398 PolarHBondContact OE2-ND2 2.95Å; A396-N398 PolarHBondContact O-N 3.42Å; A396-N398 VanDerWaalsContact O-N 3.13Å |
| 399 | T | 76.9 | Confident | 71.2 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 26% | 0.264 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -81.9 | 149.3 | 178 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | A396 P397 E401 Y402 T403 | A396-T399 HydrophobicContact CB-CG2 4.22Å; A396-T399 WeakPolarHBondContact O-CB 3.48Å; A396-T399 WeakPolarHBondContact O-CG2 3.29Å; A396-T399 PolarHBondContact O-N 3.04Å; A396-T399 PolarHBondContact O-OG1 3.46Å; P397-T399 PolarHBondContact O-N 2.78Å; T399-E401 PolarHBondContact O-N 3.11Å; T399-Y402 PolarHBondContact O-N 3.35Å; T399-Y402 WeakPolarHBondContact OG1-CB 3.46Å; T399-Y402 PolarHBondContact OG1-N 2.91Å; T399-T403 PolarHBondContact O-N 2.92Å; T399-T403 PolarHBondContact O-OG1 2.9Å |
| 400 | Q | 78.7 | Confident | 72.2 | Confident | 146 Ų | 146 | 71.9 Ų | 71.9 | 68% | 0.682 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.9 | -31.6 | 171.9 | -174.4 | -179.8 | -98.5 | 0 | 0 | 110.6 | T403 S404 | Q400-T403 PolarHBondContact O-N 3.4Å; Q400-S404 VanDerWaalsContact O-CB 3.28Å; Q400-S404 WeakPolarHBondContact O-CB 3.22Å; Q400-S404 PolarHBondContact O-N 2.71Å; Q400-S404 PolarHBondContact O-OG 3.17Å |
| 401 | E | 73.1 | Confident | 73.4 | Confident | 106 Ų | 106 | 72.7 Ų | 72.7 | 50% | 0.495 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.8 | -46.7 | 177.8 | -64.5 | 63.6 | -142.5 | 0 | 0 | 110.6 | L395 T399 T403 S404 Q405 | L395-E401 HydrophobicContact CD2-CB 3.61Å; T399-E401 PolarHBondContact O-N 3.11Å; E401-T403 VanDerWaalsContact C-N 3.35Å; E401-T403 PolarHBondContact O-N 3.3Å; E401-S404 PolarHBondContact O-N 3.19Å; E401-Q405 VanDerWaalsContact O-CB 3.29Å; E401-Q405 WeakPolarHBondContact O-CB 3.41Å; E401-Q405 PolarHBondContact O-N 3.47Å |
| 402 | Y | 80.3 | Confident | 75.1 | Confident | 57 Ų | 57 | 69 Ų | 69 | 22% | 0.224 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 172.1 | 177.8 | -83.9 | 0 | 0 | 0 | 110.4 | M387 L395 A396 P397 T399 S404 Q405 W406 | M387-Y402 HydrophobicContact CE-CD1 4.32Å; M387-Y402 HydrophobicContact CE-CD2 3.44Å; M387-Y402 VanDerWaalsContact CE-CD2 3.44Å; M387-Y402 HydrophobicContact CE-CE1 4.13Å; M387-Y402 HydrophobicContact CE-CE2 3.25Å; M387-Y402 HydrophobicContact CE-CG 3.98Å; L395-Y402 HydrophobicContact CB-CD2 4.43Å; L395-Y402 WeakPolarHBondContact O-CD2 3.35Å; A396-Y402 WeakPolarHBondContact O-CB 3.37Å; P397-Y402 HydrophobicContact CB-CD1 4.21Å; P397-Y402 HydrophobicContact CB-CD2 4.31Å; P397-Y402 HydrophobicContact CB-CE1 3.98Å; P397-Y402 HydrophobicContact CB-CE2 4.05Å; P397-Y402 HydrophobicContact CB-CG 4.39Å; P397-Y402 VanDerWaalsContact O-CD1 3.26Å; P397-Y402 WeakPolarHBondContact O-CD1 3.49Å; T399-Y402 PolarHBondContact O-N 3.35Å; T399-Y402 WeakPolarHBondContact OG1-CB 3.46Å; T399-Y402 PolarHBondContact OG1-N 2.91Å; Y402-S404 VanDerWaalsContact C-N 3.31Å; Y402-S404 PolarHBondContact O-N 3.17Å; Y402-Q405 PolarHBondContact O-N 2.84Å; Y402-W406 HydrophobicContact CE1-CB 4.45Å; Y402-W406 WeakPolarHBondContact O-CB 3.38Å; Y402-W406 PolarHBondContact O-N 2.93Å |
| 403 | T | 78.1 | Confident | 76.8 | Confident | 65 Ų | 65 | 66.9 Ų | 66.9 | 40% | 0.399 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -56.9 | -45.9 | 178 | -58.3 | 0 | 0 | 0 | 0 | 111.1 | T399 Q400 E401 H407 | T399-T403 PolarHBondContact O-N 2.92Å; T399-T403 PolarHBondContact O-OG1 2.9Å; Q400-T403 PolarHBondContact O-N 3.4Å; E401-T403 VanDerWaalsContact C-N 3.35Å; E401-T403 PolarHBondContact O-N 3.3Å; T403-H407 PolarHBondContact O-N 3.28Å; T403-H407 PolarHBondContact O-ND1 3.19Å |
| 404 | S | 79.4 | Confident | 78.6 | Confident | 57 Ų | 57 | 66 Ų | 66 | 40% | 0.399 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 178.8 | -60.9 | 0 | 0 | 0 | 0 | 112.4 | Q400 E401 Y402 R408 | Q400-S404 VanDerWaalsContact O-CB 3.28Å; Q400-S404 WeakPolarHBondContact O-CB 3.22Å; Q400-S404 PolarHBondContact O-N 2.71Å; Q400-S404 PolarHBondContact O-OG 3.17Å; E401-S404 PolarHBondContact O-N 3.19Å; Y402-S404 VanDerWaalsContact C-N 3.31Å; Y402-S404 PolarHBondContact O-N 3.17Å; S404-R408 WeakPolarHBondContact O-CG 3.42Å; S404-R408 PolarHBondContact O-N 2.96Å; S404-R408 VanDerWaalsContact O-N 3.11Å |
| 405 | Q | 82.4 | Confident | 80.1 | Confident | 30 Ų | 30 | 63 Ų | 63 | 14% | 0.14 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -76.5 | -38.5 | -178.4 | -165.8 | 57.2 | 38.4 | 0 | 0 | 112 | E401 Y402 R408 Y409 | E401-Q405 VanDerWaalsContact O-CB 3.29Å; E401-Q405 WeakPolarHBondContact O-CB 3.41Å; E401-Q405 PolarHBondContact O-N 3.47Å; Y402-Q405 PolarHBondContact O-N 2.84Å; Q405-R408 WeakPolarHBondContact O-CB 3.42Å; Q405-R408 PolarHBondContact O-N 3.38Å; Q405-Y409 HydrophobicContact CG-CD2 4.09Å; Q405-Y409 HydrophobicContact CG-CE2 3.61Å; Q405-Y409 PolarHBondContact NE2-OH 3.43Å; Q405-Y409 VanDerWaalsContact O-CD2 3.3Å; Q405-Y409 WeakPolarHBondContact O-CD2 3.41Å; Q405-Y409 PolarHBondContact O-N 2.89Å |
| 406 | W | 88.5 | Confident | 81.2 | Confident | 30 Ų | 30 | 62.2 Ų | 62.2 | 11% | 0.114 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.6 | -48.5 | 169.6 | -170.6 | 100 | 0 | 0 | 0 | 110.7 | Y380 T383 M387 Y402 R408 Y409 F410 | Y380-W406 HydrophobicContact CD2-CH2 4.08Å; Y380-W406 AromaticContact CD2-CZ2 3.67Å; Y380-W406 HydrophobicContact CD2-CZ2 3.67Å; Y380-W406 HydrophobicContact CE2-CH2 4.3Å; Y380-W406 AromaticContact CE2-CZ2 3.72Å; Y380-W406 HydrophobicContact CE2-CZ2 3.72Å; T383-W406 HydrophobicContact CG2-CD2 4.1Å; T383-W406 HydrophobicContact CG2-CG 4.04Å; T383-W406 HydrophobicContact CG2-CZ2 4.33Å; M387-W406 HydrophobicContact CE-CB 4.1Å; Y402-W406 HydrophobicContact CE1-CB 4.45Å; Y402-W406 WeakPolarHBondContact O-CB 3.38Å; Y402-W406 PolarHBondContact O-N 2.93Å; W406-R408 VanDerWaalsContact C-N 3.28Å; W406-R408 PolarHBondContact O-N 2.9Å; W406-Y409 PolarHBondContact O-N 3.42Å; W406-F410 HydrophobicContact CD2-CB 4.4Å; W406-F410 HydrophobicContact CE3-CB 3.88Å; W406-F410 HydrophobicContact CE3-CG 4.39Å; W406-F410 HydrophobicContact CH2-CB 3.83Å; W406-F410 HydrophobicContact CH2-CD1 4.07Å; W406-F410 AromaticContact CH2-CD2 3.56Å; W406-F410 HydrophobicContact CH2-CD2 3.56Å; W406-F410 HydrophobicContact CH2-CE2 4.17Å; W406-F410 AromaticContact CH2-CG 3.51Å; W406-F410 HydrophobicContact CH2-CG 3.51Å; W406-F410 HydrophobicContact CZ2-CB 4.36Å; W406-F410 HydrophobicContact CZ2-CD2 4.06Å; W406-F410 HydrophobicContact CZ2-CG 4.29Å; W406-F410 HydrophobicContact CZ3-CB 3.57Å; W406-F410 AromaticContact CZ3-CD1 3.93Å; W406-F410 HydrophobicContact CZ3-CD1 3.93Å; W406-F410 HydrophobicContact CZ3-CD2 4.13Å; W406-F410 AromaticContact CZ3-CG 3.58Å; W406-F410 HydrophobicContact CZ3-CG 3.58Å; W406-F410 VanDerWaalsContact O-CB 3.32Å; W406-F410 WeakPolarHBondContact O-CB 3.48Å; W406-F410 PolarHBondContact O-N 3.04Å |
| 407 | H | 87.3 | Confident | 82.3 | Confident | 94 Ų | 94 | 60.7 Ų | 60.7 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.3 | -33.6 | 176.7 | -79.9 | 83.6 | 0 | 0 | 0 | 112.9 | T403 N411 | T403-H407 PolarHBondContact O-N 3.28Å; T403-H407 PolarHBondContact O-ND1 3.19Å; H407-N411 WeakPolarHBondContact O-CB 3.44Å; H407-N411 PolarHBondContact O-N 3.41Å; H407-N411 PolarHBondContact O-ND2 2.98Å |
| 408 | R | 84.1 | Confident | 83.3 | Confident | 142 Ų | 142 | 60.1 Ų | 60.1 | 54% | 0.536 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.7 | -49 | 175.1 | -77.7 | 171.5 | 175.6 | 171 | -1.9 | 112.1 | S404 Q405 W406 H412 F435 | S404-R408 WeakPolarHBondContact O-CG 3.42Å; S404-R408 PolarHBondContact O-N 2.96Å; S404-R408 VanDerWaalsContact O-N 3.11Å; Q405-R408 WeakPolarHBondContact O-CB 3.42Å; Q405-R408 PolarHBondContact O-N 3.38Å; W406-R408 VanDerWaalsContact C-N 3.28Å; W406-R408 PolarHBondContact O-N 2.9Å; R408-H412 WeakPolarHBondContact O-CB 3.24Å; R408-H412 PolarHBondContact O-N 3.19Å; R408-F435 HydrophobicContact CB-CZ 4.17Å; R408-F435 HydrophobicContact CG-CZ 4.31Å |
| 409 | Y | 86.7 | Confident | 83.9 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 6% | 0.059 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 177.6 | -69.3 | -55 | 0 | 0 | 0 | 111.5 | F386 M387 Q405 W406 N411 H412 Y413 P438 L441 | F386-Y409 HydrophobicContact CD1-CD1 4.21Å; F386-Y409 HydrophobicContact CD1-CD2 4.02Å; F386-Y409 AromaticContact CD1-CE1 3.94Å; F386-Y409 HydrophobicContact CD1-CE1 3.94Å; F386-Y409 AromaticContact CD1-CE2 3.69Å; F386-Y409 HydrophobicContact CD1-CE2 3.69Å; F386-Y409 HydrophobicContact CD1-CG 4.29Å; F386-Y409 AromaticContact CD1-CZ 3.68Å; F386-Y409 HydrophobicContact CE1-CD1 4.38Å; F386-Y409 HydrophobicContact CE1-CD2 4.4Å; F386-Y409 AromaticContact CE1-CE1 3.65Å; F386-Y409 HydrophobicContact CE1-CE1 3.65Å; F386-Y409 AromaticContact CE1-CE2 3.64Å; F386-Y409 HydrophobicContact CE1-CE2 3.64Å; F386-Y409 AromaticContact CE1-CZ 3.23Å; F386-Y409 VanDerWaalsContact CE1-OH 3.31Å; F386-Y409 WeakPolarHBondContact CE1-OH 3.18Å; F386-Y409 HydrophobicContact CZ-CE1 4.25Å; M387-Y409 HydrophobicContact CG-CD2 4.43Å; M387-Y409 HydrophobicContact SD-CD2 3.63Å; M387-Y409 HydrophobicContact SD-CE2 3.95Å; Q405-Y409 HydrophobicContact CG-CD2 4.09Å; Q405-Y409 HydrophobicContact CG-CE2 3.61Å; Q405-Y409 PolarHBondContact NE2-OH 3.43Å; Q405-Y409 VanDerWaalsContact O-CD2 3.3Å; Q405-Y409 WeakPolarHBondContact O-CD2 3.41Å; Q405-Y409 PolarHBondContact O-N 2.89Å; W406-Y409 PolarHBondContact O-N 3.42Å; Y409-N411 PolarHBondContact O-N 3.29Å; Y409-H412 WeakPolarHBondContact O-CB 3.4Å; Y409-H412 PolarHBondContact O-N 2.98Å; Y409-H412 VanDerWaalsContact O-N 3.1Å; Y409-Y413 WeakPolarHBondContact O-CD2 3.28Å; Y409-Y413 PolarHBondContact O-N 2.94Å; Y409-P438 HydrophobicContact CD1-CG 4.37Å; Y409-P438 HydrophobicContact CE1-CB 3.92Å; Y409-P438 HydrophobicContact CE1-CG 3.71Å; Y409-L441 HydrophobicContact CE1-CD1 4.17Å; Y409-L441 HydrophobicContact CE1-CD2 4.08Å; Y409-L441 HydrophobicContact CE1-CG 4.29Å |
| 410 | F | 89.9 | Confident | 83.9 | Confident | 15 Ų | 15 | 61.6 Ų | 61.6 | 7% | 0.066 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -59.8 | -45.8 | 178.5 | -176.3 | -101.6 | 0 | 0 | 0 | 112.7 | Y376 A379 T383 W406 H412 L414 | Y376-F410 HydrophobicContact CD1-CZ 4.42Å; Y376-F410 AromaticContact CD2-CZ 3.76Å; Y376-F410 HydrophobicContact CD2-CZ 3.76Å; Y376-F410 HydrophobicContact CE1-CZ 4.23Å; Y376-F410 HydrophobicContact CE2-CE1 4.11Å; Y376-F410 AromaticContact CE2-CZ 3.55Å; Y376-F410 HydrophobicContact CE2-CZ 3.55Å; Y376-F410 HydrophobicContact CG-CZ 4.18Å; Y376-F410 AromaticContact CZ-CZ 3.79Å; A379-F410 HydrophobicContact CB-CD2 4.14Å; A379-F410 HydrophobicContact CB-CE2 3.84Å; T383-F410 HydrophobicContact CG2-CB 4.3Å; T383-F410 VanDerWaalsContact OG1-CA 3.29Å; T383-F410 WeakPolarHBondContact OG1-CA 3.36Å; T383-F410 PolarHBondContact OG1-N 2.95Å; W406-F410 HydrophobicContact CD2-CB 4.4Å; W406-F410 HydrophobicContact CE3-CB 3.88Å; W406-F410 HydrophobicContact CE3-CG 4.39Å; W406-F410 HydrophobicContact CH2-CB 3.83Å; W406-F410 HydrophobicContact CH2-CD1 4.07Å; W406-F410 AromaticContact CH2-CD2 3.56Å; W406-F410 HydrophobicContact CH2-CD2 3.56Å; W406-F410 HydrophobicContact CH2-CE2 4.17Å; W406-F410 AromaticContact CH2-CG 3.51Å; W406-F410 HydrophobicContact CH2-CG 3.51Å; W406-F410 HydrophobicContact CZ2-CB 4.36Å; W406-F410 HydrophobicContact CZ2-CD2 4.06Å; W406-F410 HydrophobicContact CZ2-CG 4.29Å; W406-F410 HydrophobicContact CZ3-CB 3.57Å; W406-F410 AromaticContact CZ3-CD1 3.93Å; W406-F410 HydrophobicContact CZ3-CD1 3.93Å; W406-F410 HydrophobicContact CZ3-CD2 4.13Å; W406-F410 AromaticContact CZ3-CG 3.58Å; W406-F410 HydrophobicContact CZ3-CG 3.58Å; W406-F410 VanDerWaalsContact O-CB 3.32Å; W406-F410 WeakPolarHBondContact O-CB 3.48Å; W406-F410 PolarHBondContact O-N 3.04Å; F410-H412 VanDerWaalsContact C-N 3.32Å; F410-H412 PolarHBondContact O-N 2.92Å; F410-L414 HydrophobicContact CE1-CD2 3.95Å; F410-L414 HydrophobicContact CZ-CD2 4.32Å; F410-L414 WeakPolarHBondContact O-CB 3.44Å; F410-L414 PolarHBondContact O-N 3.3Å |
| 411 | N | 87.3 | Confident | 83.4 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -67 | -32.3 | 175.4 | -79.4 | -80 | 0 | 0 | 0 | 112.6 | H407 Y409 N415 | H407-N411 WeakPolarHBondContact O-CB 3.44Å; H407-N411 PolarHBondContact O-N 3.41Å; H407-N411 PolarHBondContact O-ND2 2.98Å; Y409-N411 PolarHBondContact O-N 3.29Å; N411-N415 PolarHBondContact O-N 3.42Å; N411-N415 VanDerWaalsContact O-N 3.17Å; N411-N415 PolarHBondContact O-ND2 3.28Å |
| 412 | H | 86.1 | Confident | 82.9 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 24% | 0.236 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.6 | -53.4 | 174.7 | 176.8 | 65.9 | 0 | 0 | 0 | 111.3 | R408 Y409 F410 L414 N415 Y416 F435 | R408-H412 WeakPolarHBondContact O-CB 3.24Å; R408-H412 PolarHBondContact O-N 3.19Å; Y409-H412 WeakPolarHBondContact O-CB 3.4Å; Y409-H412 PolarHBondContact O-N 2.98Å; Y409-H412 VanDerWaalsContact O-N 3.1Å; F410-H412 VanDerWaalsContact C-N 3.32Å; F410-H412 PolarHBondContact O-N 2.92Å; H412-L414 PolarHBondContact O-N 2.87Å; H412-N415 PolarHBondContact O-N 2.87Å; H412-Y416 PolarHBondContact O-N 3.06Å; H412-F435 HydrophobicContact CB-CE1 4.19Å |
| 413 | Y | 89.8 | Confident | 81.7 | Confident | 17 Ų | 17 | 60.5 Ų | 60.5 | 7% | 0.067 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 178.8 | -67 | -64.2 | 0 | 0 | 0 | 112.6 | E382 T383 F386 Y409 N415 Y416 Y417 | E382-Y413 HydrophobicContact CB-CD1 4.23Å; E382-Y413 HydrophobicContact CB-CD2 4.42Å; E382-Y413 HydrophobicContact CB-CE1 4.23Å; E382-Y413 HydrophobicContact CB-CE2 4.42Å; E382-Y413 HydrophobicContact CB-CG 4.33Å; E382-Y413 HydrophobicContact CG-CD1 3.98Å; E382-Y413 HydrophobicContact CG-CE1 3.53Å; E382-Y413 HydrophobicContact CG-CE2 4.2Å; T383-Y413 WeakPolarHBondContact OG1-CD2 3.48Å; F386-Y413 HydrophobicContact CB-CE2 4.5Å; Y409-Y413 WeakPolarHBondContact O-CD2 3.28Å; Y409-Y413 PolarHBondContact O-N 2.94Å; Y413-N415 PolarHBondContact O-N 2.84Å; Y413-Y416 WeakPolarHBondContact O-CB 3.29Å; Y413-Y416 PolarHBondContact O-N 2.89Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.28Å; Y413-Y417 PolarHBondContact O-N 2.86Å |
| 414 | L | 88.7 | Confident | 80 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 9% | 0.089 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 178.1 | -178 | 63.5 | 0 | 0 | 0 | 111.8 | A375 A379 F410 H412 Y416 L418 | A375-L414 HydrophobicContact CB-CD1 4.23Å; A379-L414 HydrophobicContact CB-CB 3.98Å; A379-L414 HydrophobicContact CB-CD1 4.45Å; F410-L414 HydrophobicContact CE1-CD2 3.95Å; F410-L414 HydrophobicContact CZ-CD2 4.32Å; F410-L414 WeakPolarHBondContact O-CB 3.44Å; F410-L414 PolarHBondContact O-N 3.3Å; H412-L414 PolarHBondContact O-N 2.87Å; L414-Y416 VanDerWaalsContact C-N 3.35Å; L414-L418 HydrophobicContact CD1-CD1 4.18Å; L414-L418 HydrophobicContact CD1-CG 4.33Å; L414-L418 HydrophobicContact CG-CD1 4.01Å; L414-L418 WeakPolarHBondContact O-CB 3.46Å; L414-L418 WeakPolarHBondContact O-CG 3.39Å; L414-L418 PolarHBondContact O-N 3.06Å |
| 415 | N | 85.5 | Confident | 78.3 | Confident | 89 Ų | 89 | 63.1 Ų | 63.1 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -64.8 | -39.5 | 175.1 | -76.5 | -65.7 | 0 | 0 | 0 | 111.7 | N411 H412 Y413 L418 Q419 | N411-N415 PolarHBondContact O-N 3.42Å; N411-N415 VanDerWaalsContact O-N 3.17Å; N411-N415 PolarHBondContact O-ND2 3.28Å; H412-N415 PolarHBondContact O-N 2.87Å; Y413-N415 PolarHBondContact O-N 2.84Å; N415-L418 PolarHBondContact O-N 2.81Å; N415-Q419 WeakPolarHBondContact O-CB 3.18Å; N415-Q419 PolarHBondContact O-N 2.9Å |
| 416 | Y | 86.4 | Confident | 76.1 | Confident | 41 Ų | 41 | 68.1 Ų | 68.1 | 16% | 0.161 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59 | -52.1 | 175 | 172.8 | -97.3 | 0 | 0 | 0 | 112.1 | H412 Y413 L414 L418 Q419 V420 P444 P445 I447 | H412-Y416 PolarHBondContact O-N 3.06Å; Y413-Y416 WeakPolarHBondContact O-CB 3.29Å; Y413-Y416 PolarHBondContact O-N 2.89Å; L414-Y416 VanDerWaalsContact C-N 3.35Å; Y416-L418 PolarHBondContact O-N 2.77Å; Y416-Q419 WeakPolarHBondContact O-CB 3.11Å; Y416-Q419 PolarHBondContact O-N 3.14Å; Y416-V420 HydrophobicContact CD1-CG2 4.46Å; Y416-V420 HydrophobicContact CE1-CG2 4.06Å; Y416-V420 HydrophobicContact CE2-CG2 4.15Å; Y416-V420 WeakPolarHBondContact O-CG2 3.28Å; Y416-V420 PolarHBondContact O-N 2.94Å; Y416-P444 HydrophobicContact CD2-CB 4.38Å; Y416-P444 HydrophobicContact CD2-CG 4.02Å; Y416-P444 HydrophobicContact CE1-CB 4.15Å; Y416-P444 HydrophobicContact CE2-CB 3.84Å; Y416-P444 HydrophobicContact CE2-CG 3.53Å; Y416-P445 PolarHBondContact OH-O 3.07Å; Y416-I447 HydrophobicContact CE1-CD1 4.46Å |
| 417 | Y | 86.7 | Confident | 73.8 | Confident | 30 Ų | 30 | 70.2 Ų | 70.2 | 12% | 0.118 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68.5 | -34.3 | -179.4 | -69.9 | -66 | 0 | 0 | 0 | 113 | S378 A379 Y413 Q419 V420 H421 | S378-Y417 VanDerWaalsContact C-CE2 3.49Å; S378-Y417 VanDerWaalsContact CB-CE2 3.49Å; A379-Y417 HydrophobicContact CB-CD2 4.1Å; Y413-Y417 WeakPolarHBondContact O-CD2 3.28Å; Y413-Y417 PolarHBondContact O-N 2.86Å; Y417-Q419 VanDerWaalsContact C-N 3.34Å; Y417-V420 PolarHBondContact O-N 3.47Å; Y417-H421 PolarHBondContact O-CD2 3.17Å; Y417-H421 PolarHBondContact O-N 2.87Å |
| 418 | L | 85.8 | Confident | 71.2 | Confident | 31 Ų | 31 | 69.8 Ų | 69.8 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 172.6 | -71.3 | 171.4 | 0 | 0 | 0 | 111.9 | Y372 A375 L414 N415 Y416 H421 Y423 | Y372-L418 HydrophobicContact CD2-CD2 3.92Å; A375-L418 HydrophobicContact CB-CD2 3.77Å; A375-L418 HydrophobicContact CB-CG 3.97Å; L414-L418 HydrophobicContact CD1-CD1 4.18Å; L414-L418 HydrophobicContact CD1-CG 4.33Å; L414-L418 HydrophobicContact CG-CD1 4.01Å; L414-L418 WeakPolarHBondContact O-CB 3.46Å; L414-L418 WeakPolarHBondContact O-CG 3.39Å; L414-L418 PolarHBondContact O-N 3.06Å; N415-L418 PolarHBondContact O-N 2.81Å; Y416-L418 PolarHBondContact O-N 2.77Å; L418-H421 PolarHBondContact O-N 3.36Å; L418-Y423 WeakPolarHBondContact O-CA 3.48Å; L418-Y423 PolarHBondContact O-N 2.93Å |
| 419 | Q | 80.3 | Confident | 69.1 | Low | 132 Ų | 132 | 68.6 Ų | 68.6 | 62% | 0.617 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -64.8 | -42.9 | 174.7 | -172.1 | 176.2 | 10.2 | 0 | 0 | 111.9 | N415 Y416 Y417 H421 N422 | N415-Q419 WeakPolarHBondContact O-CB 3.18Å; N415-Q419 PolarHBondContact O-N 2.9Å; Y416-Q419 WeakPolarHBondContact O-CB 3.11Å; Y416-Q419 PolarHBondContact O-N 3.14Å; Y417-Q419 VanDerWaalsContact C-N 3.34Å; Q419-H421 VanDerWaalsContact C-N 3.29Å; Q419-H421 PolarHBondContact O-N 3.42Å; Q419-N422 PolarHBondContact O-N 3.29Å |
| 420 | V | 77.1 | Confident | 66.9 | Low | 59 Ų | 59 | 75.6 Ų | 75.6 | 36% | 0.358 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.3 | -34.9 | 175 | 169.7 | 0 | 0 | 0 | 0 | 112 | Y416 Y417 N422 | Y416-V420 HydrophobicContact CD1-CG2 4.46Å; Y416-V420 HydrophobicContact CE1-CG2 4.06Å; Y416-V420 HydrophobicContact CE2-CG2 4.15Å; Y416-V420 WeakPolarHBondContact O-CG2 3.28Å; Y416-V420 PolarHBondContact O-N 2.94Å; Y417-V420 PolarHBondContact O-N 3.47Å; V420-N422 PolarHBondContact O-N 3.46Å |
| 421 | H | 67.9 | Low | 64.5 | Low | 58 Ų | 58 | 80.4 Ų | 80.4 | 27% | 0.269 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 22.1 | 176.7 | -69.8 | -54.6 | 0 | 0 | 0 | 114.4 | A371 Y417 L418 Q419 Y423 | A371-H421 HydrophobicContact CB-CB 4.13Å; Y417-H421 PolarHBondContact O-CD2 3.17Å; Y417-H421 PolarHBondContact O-N 2.87Å; L418-H421 PolarHBondContact O-N 3.36Å; Q419-H421 VanDerWaalsContact C-N 3.29Å; Q419-H421 PolarHBondContact O-N 3.42Å; H421-Y423 HydrophobicContact CB-CD2 4.07Å; H421-Y423 HydrophobicContact CB-CE2 4.38Å; H421-Y423 WeakPolarHBondContact O-CD2 3.28Å; H421-Y423 WeakPolarHBondContact O-CE2 3.45Å; H421-Y423 PolarHBondContact O-N 2.99Å |
| 422 | N | 62.8 | Low | 62.2 | Low | 149 Ų | 149 | 83.6 Ų | 83.6 | 80% | 0.797 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 16.7 | -179.3 | -71.4 | -35 | 0 | 0 | 0 | 115.6 | Q419 V420 T424 | Q419-N422 PolarHBondContact O-N 3.29Å; V420-N422 PolarHBondContact O-N 3.46Å; N422-T424 PolarHBondContact O-N 3.39Å |
| 423 | Y | 55.4 | Low | 59.7 | Low | 79 Ų | 79 | 85.9 Ų | 85.9 | 31% | 0.31 | 46% | 0.464 | S | S | . | . | trans | -94.6 | 82.7 | 170.1 | -63.7 | -72.5 | 0 | 0 | 0 | 109.9 | I368 A371 L418 H421 P425 | I368-Y423 HydrophobicContact CD1-CE1 4.43Å; I368-Y423 HydrophobicContact CG1-CE1 3.56Å; I368-Y423 WeakPolarHBondContact CG1-OH 3.15Å; A371-Y423 HydrophobicContact CB-CD2 3.95Å; A371-Y423 HydrophobicContact CB-CE2 3.33Å; L418-Y423 WeakPolarHBondContact O-CA 3.48Å; L418-Y423 PolarHBondContact O-N 2.93Å; H421-Y423 HydrophobicContact CB-CD2 4.07Å; H421-Y423 HydrophobicContact CB-CE2 4.38Å; H421-Y423 WeakPolarHBondContact O-CD2 3.28Å; H421-Y423 WeakPolarHBondContact O-CE2 3.45Å; H421-Y423 PolarHBondContact O-N 2.99Å; Y423-P425 WeakPolarHBondContact O-CD 3.15Å | ||
| 424 | T | 42.4 | Very low | 57.4 | Low | 101 Ų | 101 | 91 Ų | 91 | 62% | 0.62 | 50% | 0.497 | S | S | * | . | trans | -76.5 | 101 | 157.5 | -52.1 | 0 | 0 | 0 | 0 | 107.8 | N422 T426 | N422-T424 PolarHBondContact O-N 3.39Å; T424-T426 PolarHBondContact O-N 3.29Å; T424-T426 VanDerWaalsContact O-N 3.13Å | ||
| 425 | P | 42.6 | Very low | 55.1 | Low | 75 Ų | 75 | 94.7 Ų | 94.7 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | trans | -60.5 | 119.7 | 156.2 | 28.8 | -33.1 | 0 | 0 | 0 | 106 | Y423 L427 | Y423-P425 WeakPolarHBondContact O-CD 3.15Å; P425-L427 HydrophobicContact CB-CG 4.45Å; P425-L427 HydrophobicContact CG-CD1 4.35Å; P425-L427 PolarHBondContact O-N 3.36Å | ||
| 426 | T | 37.2 | Very low | 53.1 | Low | 135 Ų | 135 | 98.4 Ų | 98.4 | 83% | 0.828 | 52% | 0.524 | S | S | * | . | trans | -73.8 | 58.4 | 174.5 | 39.4 | 0 | 0 | 0 | 0 | 110.6 | T424 S428 | T424-T426 PolarHBondContact O-N 3.29Å; T424-T426 VanDerWaalsContact O-N 3.13Å; T426-S428 PolarHBondContact O-N 3.49Å | ||
| 427 | L | 39.6 | Very low | 51.2 | Low | 75 Ų | 75 | 100.3 Ų | 100.3 | 39% | 0.393 | 54% | 0.542 | S | S | . | . | trans | -52.6 | 106.6 | 156.8 | -73.2 | 166.4 | 0 | 0 | 0 | 106.4 | P425 Q431 Q432 | P425-L427 HydrophobicContact CB-CG 4.45Å; P425-L427 HydrophobicContact CG-CD1 4.35Å; P425-L427 PolarHBondContact O-N 3.36Å; L427-Q431 HydrophobicContact CD2-CB 4.11Å; L427-Q432 HydrophobicContact CB-CG 4.49Å | ||
| 428 | S | 32.6 | Very low | 49.4 | Very low | 84 Ų | 84 | 100.2 Ų | 100.2 | 59% | 0.587 | 55% | 0.545 | S | S | * | . | trans | -51.1 | 148.7 | 174 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | T426 E430 Q431 | T426-S428 PolarHBondContact O-N 3.49Å; S428-E430 PolarHBondContact O-N 2.84Å; S428-Q431 PolarHBondContact O-N 2.97Å | ||
| 429 | S | 40.3 | Very low | 47.7 | Very low | 118 Ų | 118 | 106 Ų | 106 | 83% | 0.825 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -5.3 | -165.8 | -167.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 430 | E | 41.6 | Very low | 46.4 | Very low | 162 Ų | 162 | 103.5 Ų | 103.5 | 76% | 0.757 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -7.6 | 175 | -142.6 | -179.7 | 124.4 | 0 | 0 | 113.9 | S428 | S428-E430 PolarHBondContact O-N 2.84Š|
| 431 | Q | 39.7 | Very low | 45.3 | Very low | 115 Ų | 115 | 102.4 Ų | 102.4 | 54% | 0.537 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -114.8 | -4 | -174.7 | -73.7 | -171.8 | -24.9 | 0 | 0 | 115.4 | L427 S428 P433 | L427-Q431 HydrophobicContact CD2-CB 4.11Å; S428-Q431 PolarHBondContact O-N 2.97Å; Q431-P433 WeakPolarHBondContact O-CD 3.26Å |
| 432 | Q | 38.2 | Very low | 44.6 | Very low | 137 Ų | 137 | 103.9 Ų | 103.9 | 64% | 0.64 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -64.4 | 128.5 | 170.8 | -77 | -163.8 | -11.9 | 0 | 0 | 110.3 | L427 V434 | L427-Q432 HydrophobicContact CB-CG 4.49Å; Q432-V434 PolarHBondContact O-N 3.5Å |
| 433 | P | 34.3 | Very low | 44.1 | Very low | 100 Ų | 100 | 102.1 Ų | 102.1 | 65% | 0.649 | 60% | 0.595 | S | S | * | * | trans | -61.1 | 126.2 | 166.7 | -18.2 | 31.3 | 0 | 0 | 0 | 108.9 | Q431 F435 | Q431-P433 WeakPolarHBondContact O-CD 3.26Å; P433-F435 PolarHBondContact O-N 3.03Å | ||
| 434 | V | 40.1 | Very low | 44 | Very low | 125 Ų | 125 | 100.8 Ų | 100.8 | 76% | 0.758 | 60% | 0.596 | S | S | * | * | trans | -71.9 | 77.7 | 172.9 | -175.4 | 0 | 0 | 0 | 0 | 108.6 | Q432 F436 | Q432-V434 PolarHBondContact O-N 3.5Å; V434-F436 HydrophobicContact CG1-CD2 4.44Å; V434-F436 HydrophobicContact CG1-CE2 3.85Å; V434-F436 HydrophobicContact CG1-CZ 4.07Å; V434-F436 PolarHBondContact O-N 3.38Å | ||
| 435 | F | 40.8 | Very low | 44.5 | Very low | 94 Ų | 94 | 100.3 Ų | 100.3 | 41% | 0.412 | 59% | 0.594 | S | S | . | * | trans | -86.7 | 89.8 | -172.2 | -154.1 | -81.7 | 0 | 0 | 0 | 109.2 | R408 H412 P433 P437 | R408-F435 HydrophobicContact CB-CZ 4.17Å; R408-F435 HydrophobicContact CG-CZ 4.31Å; H412-F435 HydrophobicContact CB-CE1 4.19Å; P433-F435 PolarHBondContact O-N 3.03Å; F435-P437 WeakPolarHBondContact O-CD 3.31Å | ||
| 436 | F | 42.9 | Very low | 44.6 | Very low | 166 Ų | 166 | 103.8 Ų | 103.8 | 73% | 0.728 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 121.8 | 168.1 | -66.7 | -83.7 | 0 | 0 | 0 | 108.7 | V434 | V434-F436 HydrophobicContact CG1-CD2 4.44Å; V434-F436 HydrophobicContact CG1-CE2 3.85Å; V434-F436 HydrophobicContact CG1-CZ 4.07Å; V434-F436 PolarHBondContact O-N 3.38Å |
| 437 | P | 47.9 | Very low | 44.8 | Very low | 81 Ų | 81 | 102.2 Ų | 102.2 | 53% | 0.526 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 137.4 | 174.1 | 26.2 | -33.3 | 0 | 0 | 0 | 108.7 | F435 T439 L441 | F435-P437 WeakPolarHBondContact O-CD 3.31Å; P437-T439 PolarHBondContact O-N 3.07Å; P437-T439 VanDerWaalsContact O-N 3.08Å; P437-L441 HydrophobicContact CB-CD1 4.44Å |
| 438 | P | 48.9 | Very low | 44.6 | Very low | 29 Ų | 29 | 101.7 Ų | 101.7 | 19% | 0.188 | 60% | 0.601 | C | S | . | * | P | Polyproline II helix | trans | -47 | 117.6 | 170 | -32.1 | 35.9 | 0 | 0 | 0 | 111.8 | Y409 G440 L441 | Y409-P438 HydrophobicContact CD1-CG 4.37Å; Y409-P438 HydrophobicContact CE1-CB 3.92Å; Y409-P438 HydrophobicContact CE1-CG 3.71Å; P438-G440 PolarHBondContact O-N 2.98Å; P438-L441 HydrophobicContact CB-CD1 3.91Å; P438-L441 HydrophobicContact CB-CG 4.29Å; P438-L441 HydrophobicContact CG-CD1 4Å; P438-L441 PolarHBondContact O-N 2.72Å; P438-L441 VanDerWaalsContact O-N 3.16Å |
| 439 | T | 49.3 | Very low | 44.6 | Very low | 153 Ų | 153 | 103.2 Ų | 103.2 | 94% | 0.939 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | 121 | 179.9 | 35.4 | 0 | 0 | 0 | 0 | 110.3 | P437 | P437-T439 PolarHBondContact O-N 3.07Å; P437-T439 VanDerWaalsContact O-N 3.08Å |
| 440 | G | 53.7 | Low | 44.1 | Very low | 79 Ų | 79 | 102.2 Ų | 102.2 | 81% | 0.814 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 109.3 | -2.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | P438 | P438-G440 PolarHBondContact O-N 2.98Š|
| 441 | L | 53.2 | Low | 43.3 | Very low | 36 Ų | 36 | 100.8 Ų | 100.8 | 19% | 0.188 | 61% | 0.611 | C | S | . | * | P | Polyproline II helix | trans | -67.4 | 133.8 | 168.8 | -83.7 | 166.2 | 0 | 0 | 0 | 111.7 | F386 Y409 P437 P438 | F386-L441 HydrophobicContact CD2-CD2 3.98Å; F386-L441 HydrophobicContact CE1-CD2 4.4Å; F386-L441 HydrophobicContact CE2-CD2 3.44Å; F386-L441 VanDerWaalsContact CE2-CD2 3.44Å; F386-L441 HydrophobicContact CZ-CD2 3.67Å; F386-L441 HydrophobicContact CZ-CG 4.46Å; Y409-L441 HydrophobicContact CE1-CD1 4.17Å; Y409-L441 HydrophobicContact CE1-CD2 4.08Å; Y409-L441 HydrophobicContact CE1-CG 4.29Å; P437-L441 HydrophobicContact CB-CD1 4.44Å; P438-L441 HydrophobicContact CB-CD1 3.91Å; P438-L441 HydrophobicContact CB-CG 4.29Å; P438-L441 HydrophobicContact CG-CD1 4Å; P438-L441 PolarHBondContact O-N 2.72Å; P438-L441 VanDerWaalsContact O-N 3.16Å |
| 442 | P | 54.1 | Low | 42.9 | Very low | 88 Ų | 88 | 98.4 Ų | 98.4 | 57% | 0.571 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 156.9 | 158.2 | 31.7 | -34.1 | 0 | 0 | 0 | 109.9 | ||
| 443 | P | 52.4 | Low | 42.8 | Very low | 113 Ų | 113 | 97.6 Ų | 97.6 | 73% | 0.734 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 147.6 | 170.6 | 27.8 | -34.7 | 0 | 0 | 0 | 110.3 | ||
| 444 | P | 51.5 | Low | 42.7 | Very low | 51 Ų | 51 | 100 Ų | 100 | 33% | 0.331 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -59.3 | 149.4 | 170.6 | 27.6 | -34.4 | 0 | 0 | 0 | 109.8 | Y416 N446 | Y416-P444 HydrophobicContact CD2-CB 4.38Å; Y416-P444 HydrophobicContact CD2-CG 4.02Å; Y416-P444 HydrophobicContact CE1-CB 4.15Å; Y416-P444 HydrophobicContact CE2-CB 3.84Å; Y416-P444 HydrophobicContact CE2-CG 3.53Å; P444-N446 PolarHBondContact O-N 3.28Å |
| 445 | P | 52.8 | Low | 42.3 | Very low | 90 Ų | 90 | 100 Ų | 100 | 58% | 0.584 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 131.7 | 179.6 | 24.3 | -33.9 | 0 | 0 | 0 | 109.8 | Y416 I447 | Y416-P445 PolarHBondContact OH-O 3.07Å; P445-I447 WeakPolarHBondContact O-CG1 3.3Å; P445-I447 PolarHBondContact O-N 2.96Å |
| 446 | N | 46.4 | Very low | 42 | Very low | 148 Ų | 148 | 101.6 Ų | 101.6 | 79% | 0.791 | 65% | 0.647 | S | S | * | * | trans | -71.6 | 95.7 | -173.2 | -174.4 | 13.2 | 0 | 0 | 0 | 110.5 | P444 A448 | P444-N446 PolarHBondContact O-N 3.28Å; N446-A448 PolarHBondContact O-N 3.42Å; N446-A448 PolarHBondContact OD1-N 3.34Å | ||
| 447 | I | 41.6 | Very low | 41.7 | Very low | 103 Ų | 103 | 101.5 Ų | 101.5 | 53% | 0.528 | 65% | 0.654 | S | S | . | * | trans | -76.5 | 52.7 | 174.3 | -42.2 | -178 | 0 | 0 | 0 | 110.1 | Y416 P445 S449 | Y416-I447 HydrophobicContact CE1-CD1 4.46Å; P445-I447 WeakPolarHBondContact O-CG1 3.3Å; P445-I447 PolarHBondContact O-N 2.96Å; I447-S449 PolarHBondContact O-N 3.05Å | ||
| 448 | A | 34.9 | Very low | 40.9 | Very low | 64 Ų | 64 | 106.9 Ų | 106.9 | 53% | 0.529 | 67% | 0.672 | S | S | . | * | trans | -77 | 95.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109 | N446 S450 | N446-A448 PolarHBondContact O-N 3.42Å; N446-A448 PolarHBondContact OD1-N 3.34Å; A448-S450 PolarHBondContact O-N 3.45Å | ||
| 449 | S | 31.6 | Very low | 40.3 | Very low | 115 Ų | 115 | 111.1 Ų | 111.1 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | 27.4 | 75.6 | 153.7 | -175.2 | 0 | 0 | 0 | 0 | 117 | I447 | I447-S449 PolarHBondContact O-N 3.05Š| ||
| 450 | S | 29.8 | Very low | 39.6 | Very low | 97 Ų | 97 | 112.1 Ų | 112.1 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | trans | -132.6 | 69.6 | 163.6 | -169.4 | 0 | 0 | 0 | 0 | 111.4 | A448 A452 | A448-S450 PolarHBondContact O-N 3.45Å; S450-A452 PolarHBondContact O-N 3.49Å | ||
| 451 | C | 26.3 | Very low | 38.7 | Very low | 133 Ų | 133 | 115.7 Ų | 115.7 | 90% | 0.899 | 69% | 0.693 | S | S | * | * | trans | -74.3 | 64.8 | 159 | 39.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 452 | A | 31 | Very low | 37.4 | Very low | 65 Ų | 65 | 120.2 Ų | 120.2 | 54% | 0.537 | 71% | 0.713 | S | S | . | * | trans | -148.8 | 120.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | S450 | S450-A452 PolarHBondContact O-N 3.49Š| ||
| 453 | S | 35.5 | Very low | 36.5 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | trans | 47.5 | 139.1 | 144 | -53.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 454 | D | 31.2 | Very low | 35.6 | Very low | 150 Ų | 150 | 126 Ų | 126 | 80% | 0.802 | 72% | 0.72 | S | S | * | * | trans | -43.5 | 152.2 | -176.5 | -67.6 | -88.9 | 0 | 0 | 0 | 120.3 | V456 | D454-V456 PolarHBondContact O-N 2.88Š| ||
| 455 | P | 32 | Very low | 34.8 | Very low | 125 Ų | 125 | 130.3 Ų | 130.3 | 81% | 0.812 | 74% | 0.74 | S | S | * | * | trans | -93 | 81.1 | -174.8 | 37.9 | -36.3 | 0 | 0 | 0 | 114 | ||||
| 456 | V | 35.7 | Very low | 34.2 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -137.6 | 105.7 | 166.9 | -173.4 | 0 | 0 | 0 | 0 | 112.4 | D454 | D454-V456 PolarHBondContact O-N 2.88Š| ||
| 457 | L | 35.9 | Very low | 34 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | -176.8 | 126.9 | 124.3 | -100.7 | 174.3 | 0 | 0 | 0 | 110.7 | |||||
| 458 | Q | 30.8 | Very low | 33.7 | Very low | 194 Ų | 194 | 135.1 Ų | 135.1 | 91% | 0.907 | 75% | 0.751 | S | S | * | * | trans | -83.7 | 126.3 | 164.3 | -69.6 | 176 | -35 | 0 | 0 | 109 | ||||
| 459 | S | 35.9 | Very low | 34 | Very low | 118 Ų | 118 | 136.5 Ų | 136.5 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | trans | -139.9 | 121.9 | 151.1 | 59.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 460 | K | 34.8 | Very low | 34.4 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | -96.5 | 118.6 | 174.7 | 179.6 | -161.9 | 176 | -148.4 | 0 | 107 | E462 | K460-E462 WeakPolarHBondContact CE-OE2 3.29Å; K460-E462 IonicContact NZ-OE2 2.67Å; K460-E462 PolarHBondContact NZ-OE2 2.99Å | ||
| 461 | L | 35 | Very low | 34.5 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | -143.5 | 131.7 | 167.9 | -118.6 | 159.3 | 0 | 0 | 0 | 109.6 | F463 | L461-F463 HydrophobicContact CD2-CD2 4.49Š| ||
| 462 | E | 27 | Very low | 34.8 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | trans | -91.9 | -166.2 | 179.5 | -68.5 | 159.4 | 61.7 | 0 | 0 | 109.6 | K460 | K460-E462 WeakPolarHBondContact CE-OE2 3.29Å; K460-E462 IonicContact NZ-OE2 2.67Å; K460-E462 PolarHBondContact NZ-OE2 2.99Å | ||
| 463 | F | 34.3 | Very low | 34.7 | Very low | 182 Ų | 182 | 150.2 Ų | 150.2 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | trans | 81.8 | 143.6 | -173.3 | -55.9 | -79.8 | 0 | 0 | 0 | 116.5 | L461 | L461-F463 HydrophobicContact CD2-CD2 4.49Š| ||
| 464 | H | 33.9 | Very low | 34.7 | Very low | 141 Ų | 141 | 152 Ų | 152 | 65% | 0.653 | 77% | 0.774 | S | S | * | * | cis | -178.1 | 142 | -36.4 | -119.9 | 102.1 | 0 | 0 | 0 | 106.9 | ||||
| 465 | N | 35 | Very low | 34.6 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 66.1 | 165.3 | 171.8 | -47.4 | -43.3 | 0 | 0 | 0 | 114.7 | ||||
| 466 | H | 39.3 | Very low | 34.6 | Very low | 165 Ų | 165 | 149.4 Ų | 149.4 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | cis | -148.8 | 176.7 | 8 | -156.5 | 33.9 | 0 | 0 | 0 | 113.3 | ||||
| 467 | H | 41.7 | Very low | 34.8 | Very low | 148 Ų | 148 | 149.3 Ų | 149.3 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | trans | -50.5 | 168.6 | 174.1 | -81.8 | -111.9 | 0 | 0 | 0 | 116.6 | ||||
| 468 | D | 36.9 | Very low | 34.9 | Very low | 128 Ų | 128 | 150.2 Ų | 150.2 | 68% | 0.684 | 78% | 0.775 | S | S | * | * | cis | -154.6 | -178.2 | -8.1 | -141.6 | -46.8 | 0 | 0 | 0 | 111.9 | ||||
| 469 | S | 39.3 | Very low | 35.1 | Very low | 94 Ų | 94 | 145.6 Ų | 145.6 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | trans | -72.5 | 154.8 | 170.3 | -35.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 470 | K | 41.1 | Very low | 35.3 | Very low | 215 Ų | 215 | 146.3 Ų | 146.3 | 94% | 0.935 | 76% | 0.759 | S | S | * | * | trans | -140.2 | 133.9 | 131.1 | -74.9 | -158.9 | 177 | -179 | 0 | 111.6 | ||||
| 471 | R | 31.9 | Very low | 35.5 | Very low | 223 Ų | 223 | 146.4 Ų | 146.4 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | -84.9 | 167 | 161.7 | -66.7 | 177.5 | 169.4 | -161.1 | -0.4 | 109.1 | ||||
| 472 | L | 33.2 | Very low | 35.5 | Very low | 154 Ų | 154 | 142 Ų | 142 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | -149.7 | 139.4 | 128.9 | -115 | 167.7 | 0 | 0 | 0 | 111.3 | I474 | L472-I474 HydrophobicContact CD2-CD1 4.45Å; L472-I474 HydrophobicContact CD2-CG1 4.02Å | |||
| 473 | C | 28.6 | Very low | 36.2 | Very low | 105 Ų | 105 | 144.3 Ų | 144.3 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | trans | -135.3 | 136.8 | 168.8 | -50.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 474 | I | 34.2 | Very low | 36.2 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -138.2 | 139.9 | 167 | -24.5 | 177.7 | 0 | 0 | 0 | 108.6 | L472 | L472-I474 HydrophobicContact CD2-CD1 4.45Å; L472-I474 HydrophobicContact CD2-CG1 4.02Å | ||
| 475 | S | 29.4 | Very low | 36.7 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -132.8 | 153.1 | -179.7 | -59.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 476 | S | 32.5 | Very low | 37.1 | Very low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | 61.4 | 126.5 | 155.3 | -52 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 477 | S | 40.8 | Very low | 37.1 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -140.9 | 148.6 | 138 | 51.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 478 | E | 36.8 | Very low | 37 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -117 | 175.9 | -179.8 | -66.8 | -177.4 | 94.4 | 0 | 0 | 110.3 | ||||
| 479 | S | 35.5 | Very low | 37.4 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | trans | 79.5 | 105.2 | 155.7 | -76.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 480 | L | 40.7 | Very low | 37.1 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 70% | 0.696 | 77% | 0.769 | S | S | * | * | 86.7 | 144.7 | 120.3 | -66.8 | 169.6 | 0 | 0 | 0 | 120.9 | |||||
| 481 | H | 38.2 | Very low | 37.3 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 82% | 0.815 | 76% | 0.76 | S | S | * | * | trans | 66.8 | 135.1 | 170.9 | -34.8 | 108.7 | 0 | 0 | 0 | 114.8 | ||||
| 482 | G | 35.2 | Very low | 37.8 | Very low | 60 Ų | 60 | 131.4 Ų | 131.4 | 62% | 0.619 | 75% | 0.753 | S | S | * | * | cis | 160.5 | 161.6 | -2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 483 | I | 42.6 | Very low | 38.1 | Very low | 181 Ų | 181 | 131 Ų | 131 | 93% | 0.928 | 75% | 0.752 | S | S | * | * | trans | 56 | 156.5 | 178.5 | 63.9 | 165.3 | 0 | 0 | 0 | 116.8 | ||||
| 484 | S | 33.8 | Very low | 38.6 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | cis | -167.6 | 174.5 | -34.7 | -175.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 485 | T | 43.3 | Very low | 38.9 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | 71.8 | 148.5 | 165.9 | 78.9 | 0 | 0 | 0 | 0 | 116 | ||||
| 486 | V | 43.4 | Very low | 39.5 | Very low | 112 Ų | 112 | 136 Ų | 136 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | cis | -160.1 | 134 | -4.9 | 107.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 487 | L | 40.8 | Very low | 39.6 | Very low | 146 Ų | 146 | 135.9 Ų | 135.9 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | trans | 58.4 | 161.6 | 155.3 | -47.3 | 176.2 | 0 | 0 | 0 | 118.7 | ||||
| 488 | H | 39.9 | Very low | 39.7 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | cis | -145.6 | 166.6 | -5.7 | -136.6 | -141 | 0 | 0 | 0 | 111.3 | ||||
| 489 | P | 44.3 | Very low | 39.8 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 62% | 0.617 | 76% | 0.759 | S | S | * | * | trans | -120.1 | -168.1 | -159.4 | 44.1 | -34.4 | 0 | 0 | 0 | 117 | ||||
| 490 | E | 33.5 | Very low | 40 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | 80.7 | 161.6 | 169.5 | -52.5 | -137.1 | 125.7 | 0 | 0 | 117.5 | ||||
| 491 | H | 44.6 | Very low | 40.2 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 75% | 0.75 | 77% | 0.768 | S | S | * | * | cis | -140.6 | 151.6 | 11.1 | -42 | -98.3 | 0 | 0 | 0 | 115.5 | ||||
| 492 | S | 42.5 | Very low | 40.5 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | 27.1 | 122.2 | 143.5 | -102.2 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 493 | N | 39.5 | Very low | 40.5 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | 77.2 | 142.9 | 123.4 | -81.2 | -47.4 | 0 | 0 | 0 | 124.9 | |||||
| 494 | R | 39.7 | Very low | 40.5 | Very low | 235 Ų | 235 | 138.8 Ų | 138.8 | 89% | 0.887 | 77% | 0.774 | S | S | * | * | trans | 71.4 | 105.5 | 152.5 | -82.4 | -174.8 | 168 | -165.7 | -3.1 | 122.1 | ||||
| 495 | S | 40.1 | Very low | 40.8 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | 60.5 | 91.8 | 114.9 | -178.4 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 496 | S | 41.8 | Very low | 40.7 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -165.1 | 138.6 | 139.1 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 497 | S | 33.8 | Very low | 40.4 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -85.6 | 179.3 | 164.1 | -49.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 498 | P | 42.9 | Very low | 40.1 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | cis | -122.5 | 164 | -46.5 | 35.8 | -23 | 0 | 0 | 0 | 111.5 | ||||
| 499 | S | 40.2 | Very low | 40.3 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | trans | -158.8 | 152.2 | 166.7 | -76.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 500 | D | 40.1 | Very low | 40.8 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | -67.3 | 141.2 | -172.7 | -57.4 | -98.6 | 0 | 0 | 0 | 115.4 | ||||
| 501 | T | 44.5 | Very low | 41.8 | Very low | 117 Ų | 117 | 130.7 Ų | 130.7 | 72% | 0.718 | 76% | 0.758 | S | S | * | * | trans | -139.7 | 103.3 | 160.2 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 502 | K | 43.8 | Very low | 42.6 | Very low | 196 Ų | 196 | 128.7 Ų | 128.7 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | trans | 62.4 | 114 | 144.5 | 9.4 | -170.8 | 176.2 | -175 | 0 | 118.4 | ||||
| 503 | N | 35.4 | Very low | 43.7 | Very low | 153 Ų | 153 | 126 Ų | 126 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -114 | 116.9 | 179.6 | 173.6 | 24 | 0 | 0 | 0 | 110.9 | ||||
| 504 | L | 42.2 | Very low | 44.8 | Very low | 155 Ų | 155 | 122.2 Ų | 122.2 | 81% | 0.812 | 72% | 0.715 | S | S | * | * | trans | -146.5 | 141.7 | 160.6 | -70.6 | 99.4 | 0 | 0 | 0 | 106.2 | ||||
| 505 | T | 40.8 | Very low | 46.3 | Very low | 115 Ų | 115 | 115 Ų | 115 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | S | Bend | cis | -137.1 | 149.3 | 31.5 | 50.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 506 | S | 41 | Very low | 48.3 | Very low | 113 Ų | 113 | 110 Ų | 110 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | trans | 48.3 | 92.6 | 152.4 | 62.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 507 | D | 36.6 | Very low | 50.7 | Low | 114 Ų | 114 | 108.4 Ų | 108.4 | 61% | 0.61 | 65% | 0.645 | S | S | * | * | trans | -83.9 | 151.5 | 147.4 | -154.4 | -11.3 | 0 | 0 | 0 | 109.6 | K510 | D507-K510 WeakPolarHBondContact OD1-CG 3.32Å; D507-K510 IonicContact OD1-NZ 2.71Å; D507-K510 PolarHBondContact OD1-NZ 3.39Å; D507-K510 IonicContact OD2-NZ 2.65Å; D507-K510 PolarHBondContact OD2-NZ 3.01Å | ||
| 508 | G | 35.1 | Very low | 53.5 | Low | 76 Ų | 76 | 105.6 Ų | 105.6 | 78% | 0.784 | 62% | 0.618 | S | S | * | * | trans | 179.2 | 5.8 | -173 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 509 | S | 44.8 | Very low | 55.9 | Low | 79 Ų | 79 | 100.1 Ų | 100.1 | 55% | 0.552 | 58% | 0.582 | S | S | * | * | trans | -159.5 | 25.2 | 179.9 | 57 | 0 | 0 | 0 | 0 | 115.6 | S511 | S509-S511 PolarHBondContact O-N 3.41Š| ||
| 510 | K | 54.9 | Low | 58.4 | Low | 149 Ų | 149 | 97 Ų | 97 | 65% | 0.648 | 55% | 0.552 | S | S | * | * | trans | -75.5 | -11 | -162.6 | -90.1 | -165.1 | -178 | 78.9 | 0 | 118.7 | D507 | D507-K510 WeakPolarHBondContact OD1-CG 3.32Å; D507-K510 IonicContact OD1-NZ 2.71Å; D507-K510 PolarHBondContact OD1-NZ 3.39Å; D507-K510 IonicContact OD2-NZ 2.65Å; D507-K510 PolarHBondContact OD2-NZ 3.01Å | ||
| 511 | S | 53 | Low | 61 | Low | 88 Ų | 88 | 89.5 Ų | 89.5 | 62% | 0.615 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -66.5 | -55.4 | -168.3 | 48.8 | 0 | 0 | 0 | 0 | 113.9 | S509 S514 | S509-S511 PolarHBondContact O-N 3.41Å; S511-S514 PolarHBondContact O-OG 3.36Å |
| 512 | D | 60.9 | Low | 63.2 | Low | 120 Ų | 120 | 84.9 Ų | 84.9 | 64% | 0.642 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -86.4 | -30.9 | -157.3 | -60.9 | 12.2 | 0 | 0 | 0 | 112.8 | S514 S515 | D512-S514 PolarHBondContact O-N 3.06Å; D512-S514 VanDerWaalsContact O-N 3.15Å; D512-S515 PolarHBondContact O-N 2.98Å; D512-S515 PolarHBondContact O-OG 2.94Å |
| 513 | L | 65.9 | Low | 65.4 | Low | 42 Ų | 42 | 78.4 Ų | 78.4 | 22% | 0.22 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -62.8 | -21.7 | -177.7 | -68.2 | 177.5 | 0 | 0 | 0 | 113.6 | S515 S516 Q592 N594 | L513-S515 PolarHBondContact O-N 3.04Å; L513-S515 VanDerWaalsContact O-N 3.13Å; L513-S516 VanDerWaalsContact O-CB 3.28Å; L513-S516 WeakPolarHBondContact O-CB 3.48Å; L513-S516 PolarHBondContact O-N 2.65Å; L513-Q592 HydrophobicContact CB-CB 4.34Å; L513-Q592 PolarHBondContact O-NE2 3.47Å; L513-Q592 VanDerWaalsContact O-NE2 3.16Å; L513-Q592 PolarHBondContact O-OE1 3.33Å; L513-N594 WeakPolarHBondContact CD2-OD1 3.33Å |
| 514 | S | 63.9 | Low | 68 | Low | 68 Ų | 68 | 71.2 Ų | 71.2 | 48% | 0.476 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -53.6 | -32.3 | 179.4 | 60.4 | 0 | 0 | 0 | 0 | 113.2 | S511 D512 V572 Q592 | S511-S514 PolarHBondContact O-OG 3.36Å; D512-S514 PolarHBondContact O-N 3.06Å; D512-S514 VanDerWaalsContact O-N 3.15Å; S514-V572 WeakPolarHBondContact O-CG2 3.35Å; S514-Q592 PolarHBondContact O-NE2 3.43Å |
| 515 | S | 70.5 | Confident | 70.1 | Confident | 83 Ų | 83 | 64.7 Ų | 64.7 | 58% | 0.58 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -82.5 | -9.1 | 179 | 68.7 | 0 | 0 | 0 | 0 | 114.8 | D512 L513 S568 | D512-S515 PolarHBondContact O-N 2.98Å; D512-S515 PolarHBondContact O-OG 2.94Å; L513-S515 PolarHBondContact O-N 3.04Å; L513-S515 VanDerWaalsContact O-N 3.13Å; S515-S568 WeakPolarHBondContact O-CB 3.39Å |
| 516 | S | 82.9 | Confident | 72.2 | Confident | 13 Ų | 13 | 66.4 Ų | 66.4 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | trans | -73.4 | 133.5 | -169.3 | -173.2 | 0 | 0 | 0 | 0 | 113.3 | L513 F518 A571 Q592 I593 | L513-S516 VanDerWaalsContact O-CB 3.28Å; L513-S516 WeakPolarHBondContact O-CB 3.48Å; L513-S516 PolarHBondContact O-N 2.65Å; S516-F518 VanDerWaalsContact C-N 3.27Å; S516-F518 PolarHBondContact OG-N 2.92Å; S516-F518 VanDerWaalsContact OG-N 3.1Å; S516-A571 WeakPolarHBondContact O-CB 3.48Å; S516-Q592 PolarHBondContact O-NE2 2.9Å; S516-Q592 VanDerWaalsContact O-NE2 3.1Å; S516-I593 WeakPolarHBondContact CB-O 3.46Å; S516-I593 PolarHBondContact OG-O 2.82Å | ||
| 517 | K | 91.8 | Very high | 74.3 | Confident | 85 Ų | 85 | 63.7 Ų | 63.7 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | trans | -77.1 | -11.2 | 169 | -58.9 | -169.6 | -177.4 | -168.5 | 0 | 113.5 | M565 E566 | K517-M565 WeakPolarHBondContact CD-O 3.31Å; K517-M565 PolarHBondContact O-N 3.46Å; K517-E566 WeakPolarHBondContact CE-O 3.29Å; K517-E566 PolarHBondContact NZ-O 3.34Å | ||
| 518 | F | 92.8 | Very high | 76.8 | Confident | 56 Ų | 56 | 59 Ų | 59 | 25% | 0.246 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 129.6 | -171.2 | -60.5 | -102.9 | 0 | 0 | 0 | 110.3 | S516 I564 I593 P595 | S516-F518 VanDerWaalsContact C-N 3.27Å; S516-F518 PolarHBondContact OG-N 2.92Å; S516-F518 VanDerWaalsContact OG-N 3.1Å; F518-I564 HydrophobicContact CD1-CD1 3.9Å; F518-I564 HydrophobicContact CD1-CG1 3.78Å; F518-I564 HydrophobicContact CE1-CD1 3.58Å; F518-I564 HydrophobicContact CE1-CG1 3.96Å; F518-I564 HydrophobicContact CE1-CG2 4.47Å; F518-I593 HydrophobicContact CB-CD1 4.28Å; F518-I593 HydrophobicContact CB-CG1 3.79Å; F518-I593 WeakPolarHBondContact O-CG1 3.39Å; F518-I593 PolarHBondContact O-N 3.34Å; F518-P595 HydrophobicContact CD2-CB 3.93Å; F518-P595 HydrophobicContact CE1-CB 4.28Å; F518-P595 HydrophobicContact CE2-CB 3.59Å; F518-P595 HydrophobicContact CG-CB 4.44Å; F518-P595 HydrophobicContact CZ-CB 3.78Å |
| 519 | L | 93.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 144.6 | -172.7 | -64.7 | 176.5 | 0 | 0 | 0 | 111.1 | Y562 L563 M565 A571 L574 V575 I590 K591 Q592 | L519-Y562 WeakPolarHBondContact O-CA 3.42Å; L519-L563 HydrophobicContact CB-CB 4.08Å; L519-L563 HydrophobicContact CB-CD2 4.35Å; L519-L563 HydrophobicContact CB-CG 4.37Å; L519-L563 HydrophobicContact CD1-CD2 3.9Å; L519-L563 HydrophobicContact CD1-CG 4.4Å; L519-L563 PolarHBondContact N-O 3.37Å; L519-L563 PolarHBondContact O-N 3.3Å; L519-M565 HydrophobicContact CD1-CG 3.91Å; L519-A571 HydrophobicContact CD1-CB 3.98Å; L519-A571 HydrophobicContact CD2-CB 4.24Å; L519-A571 HydrophobicContact CG-CB 4.17Å; L519-L574 HydrophobicContact CD1-CD2 3.59Å; L519-L574 HydrophobicContact CD1-CG 4.36Å; L519-V575 HydrophobicContact CD1-CG2 4.49Å; L519-V575 HydrophobicContact CD2-CG2 3.4Å; L519-V575 VanDerWaalsContact CD2-CG2 3.4Å; L519-I590 HydrophobicContact CB-CG2 4.39Å; L519-I590 HydrophobicContact CD2-CG2 4.2Å; L519-K591 WeakPolarHBondContact CA-O 2.98Å; L519-Q592 HydrophobicContact CD2-CB 4.4Å; L519-Q592 HydrophobicContact CD2-CG 3.58Å |
| 520 | W | 93.2 | Very high | 81.8 | Confident | 57 Ų | 57 | 61 Ų | 61 | 22% | 0.216 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 116.2 | 170.7 | 170.9 | -108.9 | 0 | 0 | 0 | 109 | Y560 Y562 I590 K591 I593 | W520-Y560 AromaticContact CE2-CD1 3.83Å; W520-Y560 AromaticContact CH2-CD1 3.85Å; W520-Y560 HydrophobicContact CH2-CD1 3.85Å; W520-Y560 HydrophobicContact CH2-CD2 4.25Å; W520-Y560 AromaticContact CH2-CG 3.52Å; W520-Y560 HydrophobicContact CH2-CG 3.52Å; W520-Y560 AromaticContact CZ2-CD1 3.26Å; W520-Y560 HydrophobicContact CZ2-CD1 3.26Å; W520-Y560 HydrophobicContact CZ2-CD2 4.38Å; W520-Y560 HydrophobicContact CZ2-CE1 4.05Å; W520-Y560 AromaticContact CZ2-CG 3.48Å; W520-Y560 HydrophobicContact CZ2-CG 3.48Å; W520-Y560 VanDerWaalsContact CZ2-CG 3.48Å; W520-Y560 HydrophobicContact CZ3-CG 4.34Å; W520-Y562 HydrophobicContact CD2-CE1 4.25Å; W520-Y562 AromaticContact CE3-CD1 3.57Å; W520-Y562 HydrophobicContact CE3-CD1 3.57Å; W520-Y562 HydrophobicContact CE3-CD2 4.24Å; W520-Y562 AromaticContact CE3-CE1 3.34Å; W520-Y562 HydrophobicContact CE3-CE1 3.34Å; W520-Y562 HydrophobicContact CE3-CE2 4.07Å; W520-Y562 HydrophobicContact CE3-CG 4.02Å; W520-Y562 AromaticContact CE3-CZ 3.61Å; W520-Y562 HydrophobicContact CH2-CE2 4.45Å; W520-Y562 HydrophobicContact CZ3-CD1 4.05Å; W520-Y562 AromaticContact CZ3-CD2 3.95Å; W520-Y562 HydrophobicContact CZ3-CD2 3.95Å; W520-Y562 AromaticContact CZ3-CE1 3.6Å; W520-Y562 HydrophobicContact CZ3-CE1 3.6Å; W520-Y562 AromaticContact CZ3-CE2 3.5Å; W520-Y562 HydrophobicContact CZ3-CE2 3.5Å; W520-Y562 HydrophobicContact CZ3-CG 4.21Å; W520-Y562 AromaticContact CZ3-CZ 3.3Å; W520-I590 CarbonylContact O-C 3.54Å; W520-I590 VanDerWaalsContact O-CA 3.3Å; W520-I590 WeakPolarHBondContact O-CA 3.35Å; W520-K591 PolarHBondContact N-O 3.03Å; W520-K591 PolarHBondContact O-N 3.44Å; W520-I593 HydrophobicContact CB-CD1 4.34Å; W520-I593 HydrophobicContact CB-CG2 3.75Å |
| 521 | I | 93.1 | Very high | 83.7 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.6 | 172.9 | -51.6 | -177.5 | 0 | 0 | 0 | 108.1 | L524 I533 M536 Y560 A561 L563 I590 | I521-L524 HydrophobicContact CB-CD1 4.33Å; I521-L524 HydrophobicContact CG2-CD1 4.08Å; I521-L524 HydrophobicContact CG2-CD2 3.9Å; I521-L524 HydrophobicContact CG2-CG 3.9Å; I521-I533 HydrophobicContact CD1-CG2 4.1Å; I521-M536 HydrophobicContact CD1-CE 4.36Å; I521-Y560 CarbonylContact O-C 3.21Å; I521-Y560 VanDerWaalsContact O-CA 3.3Å; I521-Y560 WeakPolarHBondContact O-CA 3.42Å; I521-A561 HydrophobicContact CB-CB 4.45Å; I521-A561 PolarHBondContact N-O 3.26Å; I521-A561 PolarHBondContact O-N 3.03Å; I521-L563 HydrophobicContact CD1-CD2 3.95Å; I521-I590 HydrophobicContact CD1-CD1 4.16Å; I521-I590 HydrophobicContact CG1-CD1 4.06Å; I521-I590 HydrophobicContact CG1-CG1 4.06Å; I521-I590 HydrophobicContact CG1-CG2 4.25Å; I521-I590 HydrophobicContact CG2-CG1 4.25Å |
| 522 | S | 91.4 | Very high | 85.6 | Confident | 21 Ų | 21 | 54.7 Ų | 54.7 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 161 | 179.9 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | K589 | S522-K589 PolarHBondContact N-O 3.32Å; S522-K589 PolarHBondContact O-N 3.01Å; S522-K589 VanDerWaalsContact O-N 3.07Å; S522-K589 WeakPolarHBondContact OG-CB 3.46Å; S522-K589 PolarHBondContact OG-O 3.1Å |
| 523 | N | 89.6 | Confident | 87.1 | Confident | 59 Ų | 59 | 49 Ų | 49 | 32% | 0.316 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.5 | 27.1 | -173.1 | -157.1 | 35.9 | 0 | 0 | 0 | 114.8 | N586 E587 | N523-N586 VanDerWaalsContact O-CB 3.26Å; N523-N586 WeakPolarHBondContact O-CB 3.07Å; N523-N586 PolarHBondContact O-ND2 2.67Å; N523-E587 WeakPolarHBondContact CB-O 3.32Å; N523-E587 PolarHBondContact ND2-O 3.48Å |
| 524 | L | 90.1 | Very high | 88.4 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 135.1 | 175.2 | -68.6 | 160.9 | 0 | 0 | 0 | 110.4 | I521 V528 I533 I559 A561 L588 | I521-L524 HydrophobicContact CB-CD1 4.33Å; I521-L524 HydrophobicContact CG2-CD1 4.08Å; I521-L524 HydrophobicContact CG2-CD2 3.9Å; I521-L524 HydrophobicContact CG2-CG 3.9Å; L524-V528 HydrophobicContact CD2-CG1 4.29Å; L524-I533 HydrophobicContact CD1-CD1 3.74Å; L524-I533 HydrophobicContact CD2-CD1 4.42Å; L524-I533 HydrophobicContact CD2-CG1 4.49Å; L524-I559 HydrophobicContact CB-CB 4Å; L524-I559 HydrophobicContact CB-CG2 4.14Å; L524-I559 WeakPolarHBondContact CB-O 3.43Å; L524-I559 HydrophobicContact CD1-CG2 4.34Å; L524-I559 PolarHBondContact N-O 2.99Å; L524-I559 PolarHBondContact O-N 3.08Å; L524-A561 HydrophobicContact CD1-CB 3.65Å; L524-L588 HydrophobicContact CD2-CD2 3.76Å; L524-L588 HydrophobicContact CG-CD2 4.37Å |
| 525 | P | 86.7 | Confident | 89.8 | Confident | 18 Ų | 18 | 56 Ų | 56 | 12% | 0.117 | 30% | 0.295 | C | S | . | . | trans | -67.8 | 152.2 | 179.1 | 21.3 | -26.1 | 0 | 0 | 0 | 112.4 | G527 V528 F583 | P525-G527 PolarHBondContact O-N 3.4Å; P525-V528 HydrophobicContact CG-CG2 3.75Å; P525-V528 WeakPolarHBondContact O-CG2 3.27Å; P525-V528 PolarHBondContact O-N 3.2Å; P525-F583 HydrophobicContact CG-CD1 3.86Å; P525-F583 HydrophobicContact CG-CE1 4.41Å | ||
| 526 | Q | 83.9 | Confident | 90.8 | Very high | 151 Ų | 151 | 53.3 Ų | 53.3 | 71% | 0.706 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | 115.8 | -178.1 | -173.5 | -178.7 | -0.2 | 0 | 0 | 110.6 | ||
| 527 | G | 85.6 | Confident | 91.3 | Very high | 57 Ų | 57 | 52.7 Ų | 52.7 | 59% | 0.588 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 124 | -16.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | P525 R529 | P525-G527 PolarHBondContact O-N 3.4Å; G527-R529 PolarHBondContact O-N 3.41Å |
| 528 | V | 89.8 | Confident | 91.4 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 10% | 0.097 | 28% | 0.276 | C | S | . | . | trans | -63.1 | 132.4 | 177.3 | 175.2 | 0 | 0 | 0 | 0 | 111.8 | L524 P525 D532 I533 F583 | L524-V528 HydrophobicContact CD2-CG1 4.29Å; P525-V528 HydrophobicContact CG-CG2 3.75Å; P525-V528 WeakPolarHBondContact O-CG2 3.27Å; P525-V528 PolarHBondContact O-N 3.2Å; V528-D532 HydrophobicContact CG1-CB 4.41Å; V528-I533 HydrophobicContact CG1-CD1 3.96Å; V528-I533 HydrophobicContact CG1-CG1 3.52Å; V528-F583 HydrophobicContact CG2-CD1 4.26Å; V528-F583 HydrophobicContact CG2-CE1 3.72Å | ||
| 529 | R | 91.8 | Very high | 91.4 | Very high | 153 Ų | 153 | 53.7 Ų | 53.7 | 58% | 0.577 | 30% | 0.295 | S | S | * | . | trans | -110.6 | 167.6 | -179.8 | -52.4 | 168.7 | -59.7 | 167.9 | 8.8 | 110.3 | G527 V531 D532 I533 | G527-R529 PolarHBondContact O-N 3.41Å; R529-V531 PolarHBondContact O-N 3.09Å; R529-D532 WeakPolarHBondContact CB-OD2 3.35Å; R529-D532 IonicContact CZ-OD1 3.29Å; R529-D532 PolarHBondContact N-OD2 3.3Å; R529-D532 IonicContact NE-OD1 2.77Å; R529-D532 PolarHBondContact NE-OD1 3.24Å; R529-D532 VanDerWaalsContact NE-OD1 3.16Å; R529-D532 IonicContact NE-OD2 3.14Å; R529-D532 PolarHBondContact NE-OD2 3.25Å; R529-D532 IonicContact NH2-OD1 2.72Å; R529-D532 PolarHBondContact NH2-OD1 2.88Å; R529-D532 PolarHBondContact O-N 2.85Å; R529-I533 PolarHBondContact O-N 2.93Å | ||
| 530 | A | 92.7 | Very high | 91.4 | Very high | 44 Ų | 44 | 56.8 Ų | 56.8 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.4 | -26.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K534 I546 I548 | A530-K534 VanDerWaalsContact O-CB 3.29Å; A530-K534 WeakPolarHBondContact O-CB 3.47Å; A530-K534 PolarHBondContact O-N 3.24Å; A530-I546 HydrophobicContact CB-CB 4.17Å; A530-I546 HydrophobicContact CB-CD1 4.36Å; A530-I546 HydrophobicContact CB-CG2 4.02Å; A530-I546 WeakPolarHBondContact O-CD1 3.34Å; A530-I548 HydrophobicContact CB-CD1 4.3Å; A530-I548 VanDerWaalsContact N-CD1 3.31Å |
| 531 | V | 93.9 | Very high | 91.4 | Very high | 75 Ų | 75 | 55 Ų | 55 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.4 | -54.6 | 174.6 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | R529 I533 K534 E535 | R529-V531 PolarHBondContact O-N 3.09Å; V531-I533 VanDerWaalsContact C-N 3.29Å; V531-I533 PolarHBondContact O-N 3.48Å; V531-K534 WeakPolarHBondContact O-CA 3.43Å; V531-K534 VanDerWaalsContact O-CB 3.31Å; V531-K534 WeakPolarHBondContact O-CB 3.42Å; V531-K534 PolarHBondContact O-N 2.98Å; V531-E535 WeakPolarHBondContact CG1-OE1 3.23Å; V531-E535 PolarHBondContact O-N 2.98Å |
| 532 | D | 93.2 | Very high | 91.4 | Very high | 29 Ų | 29 | 61.3 Ų | 61.3 | 16% | 0.155 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -36.6 | -176.2 | -24 | -36.6 | 0 | 0 | 0 | 111.3 | V528 R529 M536 | V528-D532 HydrophobicContact CG1-CB 4.41Å; R529-D532 WeakPolarHBondContact CB-OD2 3.35Å; R529-D532 IonicContact CZ-OD1 3.29Å; R529-D532 PolarHBondContact N-OD2 3.3Å; R529-D532 IonicContact NE-OD1 2.77Å; R529-D532 PolarHBondContact NE-OD1 3.24Å; R529-D532 VanDerWaalsContact NE-OD1 3.16Å; R529-D532 IonicContact NE-OD2 3.14Å; R529-D532 PolarHBondContact NE-OD2 3.25Å; R529-D532 IonicContact NH2-OD1 2.72Å; R529-D532 PolarHBondContact NH2-OD1 2.88Å; R529-D532 PolarHBondContact O-N 2.85Å; D532-M536 WeakPolarHBondContact O-CB 3.27Å; D532-M536 PolarHBondContact O-N 2.7Å; D532-M536 VanDerWaalsContact O-N 3.14Å |
| 533 | I | 93 | Very high | 91.6 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 170.9 | -59.6 | 178.4 | 0 | 0 | 0 | 111.4 | I521 L524 V528 R529 V531 E535 M536 C537 I546 I548 A561 | I521-I533 HydrophobicContact CD1-CG2 4.1Å; L524-I533 HydrophobicContact CD1-CD1 3.74Å; L524-I533 HydrophobicContact CD2-CD1 4.42Å; L524-I533 HydrophobicContact CD2-CG1 4.49Å; V528-I533 HydrophobicContact CG1-CD1 3.96Å; V528-I533 HydrophobicContact CG1-CG1 3.52Å; R529-I533 PolarHBondContact O-N 2.93Å; V531-I533 VanDerWaalsContact C-N 3.29Å; V531-I533 PolarHBondContact O-N 3.48Å; I533-E535 VanDerWaalsContact C-N 3.34Å; I533-E535 PolarHBondContact O-N 3.42Å; I533-M536 HydrophobicContact CG2-CE 4.44Å; I533-M536 PolarHBondContact O-N 3.13Å; I533-C537 WeakPolarHBondContact O-CB 3.25Å; I533-C537 PolarHBondContact O-N 2.9Å; I533-C537 PolarHBondContact O-SG 2.65Å; I533-I546 HydrophobicContact CB-CD1 4.31Å; I533-I546 HydrophobicContact CD1-CG2 4.36Å; I533-I546 HydrophobicContact CG2-CD1 4.24Å; I533-I546 HydrophobicContact CG2-CG2 4.49Å; I533-I548 HydrophobicContact CD1-CD1 3.65Å; I533-I548 HydrophobicContact CD1-CG1 3.92Å; I533-A561 HydrophobicContact CD1-CB 3.61Å |
| 534 | K | 93.9 | Very high | 91.8 | Very high | 124 Ų | 124 | 64.6 Ų | 64.6 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 179.7 | -172.6 | -177.1 | 176.2 | -172.7 | 0 | 111.4 | A530 V531 C537 A538 V543 I546 | A530-K534 VanDerWaalsContact O-CB 3.29Å; A530-K534 WeakPolarHBondContact O-CB 3.47Å; A530-K534 PolarHBondContact O-N 3.24Å; V531-K534 WeakPolarHBondContact O-CA 3.43Å; V531-K534 VanDerWaalsContact O-CB 3.31Å; V531-K534 WeakPolarHBondContact O-CB 3.42Å; V531-K534 PolarHBondContact O-N 2.98Å; K534-C537 PolarHBondContact O-N 3.4Å; K534-A538 WeakPolarHBondContact O-CB 3.31Å; K534-A538 PolarHBondContact O-N 2.98Å; K534-V543 HydrophobicContact CG-CB 4.44Å; K534-V543 HydrophobicContact CG-CG2 4.44Å; K534-I546 HydrophobicContact CB-CD1 3.76Å; K534-I546 HydrophobicContact CG-CD1 4.5Å |
| 535 | E | 93.7 | Very high | 91.9 | Very high | 131 Ų | 131 | 67.5 Ų | 67.5 | 61% | 0.612 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.2 | -45.7 | 176 | -71.6 | 170.2 | -172.4 | 0 | 0 | 111.2 | V531 I533 C537 A538 P539 | V531-E535 WeakPolarHBondContact CG1-OE1 3.23Å; V531-E535 PolarHBondContact O-N 2.98Å; I533-E535 VanDerWaalsContact C-N 3.34Å; I533-E535 PolarHBondContact O-N 3.42Å; E535-C537 VanDerWaalsContact C-N 3.27Å; E535-C537 PolarHBondContact O-N 3.39Å; E535-A538 WeakPolarHBondContact O-CB 3.48Å; E535-A538 PolarHBondContact O-N 2.75Å; E535-P539 WeakPolarHBondContact O-CD 3.33Å |
| 536 | M | 91.1 | Very high | 92.2 | Very high | 28 Ų | 28 | 68.3 Ų | 68.3 | 14% | 0.138 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.4 | -31.8 | 174.4 | -175.3 | -177.5 | 63 | 0 | 0 | 113.3 | I521 D532 I533 L578 F583 L588 | I521-M536 HydrophobicContact CD1-CE 4.36Å; D532-M536 WeakPolarHBondContact O-CB 3.27Å; D532-M536 PolarHBondContact O-N 2.7Å; D532-M536 VanDerWaalsContact O-N 3.14Å; I533-M536 HydrophobicContact CG2-CE 4.44Å; I533-M536 PolarHBondContact O-N 3.13Å; M536-L578 HydrophobicContact CE-CD1 3.95Å; M536-L578 HydrophobicContact CG-CD1 3.68Å; M536-L578 HydrophobicContact CG-CD2 4.08Å; M536-L578 HydrophobicContact SD-CD1 3.98Å; M536-L578 HydrophobicContact SD-CD2 4.48Å; M536-F583 HydrophobicContact SD-CD2 3.65Å; M536-F583 HydrophobicContact SD-CE2 4.04Å; M536-F583 HydrophobicContact SD-CG 4.39Å; M536-L588 HydrophobicContact CE-CD1 3.72Å; M536-L588 HydrophobicContact SD-CD1 3.44Å; M536-L588 WeakPolarHBondContact SD-CD1 3.46Å |
| 537 | C | 92.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -86.8 | -23.7 | 179.1 | -61.3 | 0 | 0 | 0 | 0 | 113.9 | I533 K534 E535 P539 Y540 G541 V543 L574 | I533-C537 WeakPolarHBondContact O-CB 3.25Å; I533-C537 PolarHBondContact O-N 2.9Å; I533-C537 PolarHBondContact O-SG 2.65Å; K534-C537 PolarHBondContact O-N 3.4Å; E535-C537 VanDerWaalsContact C-N 3.27Å; E535-C537 PolarHBondContact O-N 3.39Å; C537-P539 VanDerWaalsContact C-CD 3.47Å; C537-Y540 PolarHBondContact O-N 3.45Å; C537-G541 PolarHBondContact O-N 3.14Å; C537-V543 HydrophobicContact CB-CG2 3.62Å; C537-L574 HydrophobicContact CB-CD1 4.06Å; C537-L574 HydrophobicContact CB-CD2 4.09Å |
| 538 | A | 93.5 | Very high | 92.9 | Very high | 61 Ų | 61 | 64.5 Ų | 64.5 | 50% | 0.504 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -43.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K534 E535 Y540 G541 | K534-A538 WeakPolarHBondContact O-CB 3.31Å; K534-A538 PolarHBondContact O-N 2.98Å; E535-A538 WeakPolarHBondContact O-CB 3.48Å; E535-A538 PolarHBondContact O-N 2.75Å; A538-Y540 PolarHBondContact O-N 2.92Å; A538-G541 PolarHBondContact O-N 3.23Å |
| 539 | P | 93.3 | Very high | 92.9 | Very high | 101 Ų | 101 | 66.6 Ų | 66.6 | 66% | 0.656 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -14 | -179.1 | 25.4 | -33.7 | 0 | 0 | 0 | 114.2 | E535 C537 | E535-P539 WeakPolarHBondContact O-CD 3.33Å; C537-P539 VanDerWaalsContact C-CD 3.47Å |
| 540 | Y | 93.9 | Very high | 92.7 | Very high | 64 Ų | 64 | 61.7 Ų | 61.7 | 25% | 0.251 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -22.4 | 179.6 | -52 | -75.8 | 0 | 0 | 0 | 112.9 | C537 A538 A570 R573 L574 A577 L578 | C537-Y540 PolarHBondContact O-N 3.45Å; A538-Y540 PolarHBondContact O-N 2.92Å; Y540-A570 WeakPolarHBondContact O-CB 3.36Å; Y540-R573 PolarHBondContact O-NH2 3.24Å; Y540-L574 HydrophobicContact CD2-CD1 3.24Å; Y540-L574 HydrophobicContact CE2-CD1 3.94Å; Y540-L574 HydrophobicContact CG-CB 4.29Å; Y540-L574 HydrophobicContact CG-CD1 3.77Å; Y540-A577 HydrophobicContact CD1-CB 3.98Å; Y540-A577 HydrophobicContact CE1-CB 3.19Å; Y540-L578 HydrophobicContact CE2-CD1 4.35Å; Y540-L578 HydrophobicContact CE2-CD2 4.01Å; Y540-L578 HydrophobicContact CE2-CG 4Å |
| 541 | G | 92.7 | Very high | 92 | Very high | 19 Ų | 19 | 61.3 Ų | 61.3 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | trans | 159.2 | 175.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | C537 A538 M565 | C537-G541 PolarHBondContact O-N 3.14Å; A538-G541 PolarHBondContact O-N 3.23Å; G541-M565 WeakPolarHBondContact O-CE 3.33Å | ||
| 542 | K | 94.1 | Very high | 91.1 | Very high | 133 Ų | 133 | 67.7 Ų | 67.7 | 58% | 0.578 | 36% | 0.36 | S | S | * | . | trans | -74.2 | 131.2 | -179.7 | 179.5 | 164.8 | 151.5 | -134 | 0 | 111.4 | E566 | K542-E566 HydrophobicContact CB-CB 4.28Å; K542-E566 WeakPolarHBondContact CB-OE2 3.12Å; K542-E566 VanDerWaalsContact CD-OE2 3.3Å; K542-E566 WeakPolarHBondContact CD-OE2 3.49Å; K542-E566 WeakPolarHBondContact CE-OE1 3.44Å; K542-E566 IonicContact NZ-OE1 2.72Å; K542-E566 PolarHBondContact NZ-OE1 2.89Å; K542-E566 IonicContact NZ-OE2 3.77Å; K542-E566 PolarHBondContact NZ-OE2 3.25Å; K542-E566 WeakPolarHBondContact O-CB 3.34Å; K542-E566 PolarHBondContact O-N 2.82Å | ||
| 543 | V | 94.4 | Very high | 90 | Very high | 22 Ų | 22 | 75.8 Ų | 75.8 | 13% | 0.133 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 129.3 | 175.9 | 178 | 0 | 0 | 0 | 0 | 110 | K534 C537 I546 L563 M565 | K534-V543 HydrophobicContact CG-CB 4.44Å; K534-V543 HydrophobicContact CG-CG2 4.44Å; C537-V543 HydrophobicContact CB-CG2 3.62Å; V543-I546 HydrophobicContact CG1-CD1 3.91Å; V543-I546 HydrophobicContact CG1-CG1 3.5Å; V543-I546 VanDerWaalsContact CG1-CG1 3.5Å; V543-L563 HydrophobicContact CB-CD1 4.24Å; V543-L563 HydrophobicContact CG1-CD1 3.33Å; V543-L563 HydrophobicContact CG2-CD1 3.92Å; V543-M565 HydrophobicContact CG2-CE 4.4Å; V543-M565 HydrophobicContact CG2-SD 3.95Å |
| 544 | Q | 93.2 | Very high | 88.9 | Confident | 127 Ų | 127 | 77.4 Ų | 77.4 | 59% | 0.593 | 41% | 0.406 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -40.7 | 176.1 | -172.1 | 176.5 | 24.1 | 0 | 0 | 112.2 | I564 | Q544-I564 HydrophobicContact CB-CB 4.43Å; Q544-I564 HydrophobicContact CB-CG2 4.22Å; Q544-I564 PolarHBondContact N-O 2.86Å |
| 545 | T | 92.1 | Very high | 87.9 | Confident | 63 Ų | 63 | 81.2 Ų | 81.2 | 39% | 0.387 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 144.1 | -177.4 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | I564 | T545-I564 PolarHBondContact N-O 3.31Å; T545-I564 PolarHBondContact O-N 3.33Å |
| 546 | I | 93.8 | Very high | 86.8 | Confident | 36 Ų | 36 | 80 Ų | 80 | 19% | 0.185 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 129.1 | 173.5 | -52.4 | 177 | 0 | 0 | 0 | 108.2 | A530 I533 K534 V543 I548 Y562 L563 | A530-I546 HydrophobicContact CB-CB 4.17Å; A530-I546 HydrophobicContact CB-CD1 4.36Å; A530-I546 HydrophobicContact CB-CG2 4.02Å; A530-I546 WeakPolarHBondContact O-CD1 3.34Å; I533-I546 HydrophobicContact CB-CD1 4.31Å; I533-I546 HydrophobicContact CD1-CG2 4.36Å; I533-I546 HydrophobicContact CG2-CD1 4.24Å; I533-I546 HydrophobicContact CG2-CG2 4.49Å; K534-I546 HydrophobicContact CB-CD1 3.76Å; K534-I546 HydrophobicContact CG-CD1 4.5Å; V543-I546 HydrophobicContact CG1-CD1 3.91Å; V543-I546 HydrophobicContact CG1-CG1 3.5Å; V543-I546 VanDerWaalsContact CG1-CG1 3.5Å; I546-I548 HydrophobicContact CG2-CG1 4.16Å; I546-Y562 CarbonylContact C-O 3.31Å; I546-Y562 WeakPolarHBondContact CA-O 3.26Å; I546-L563 HydrophobicContact CG1-CD1 3.88Å |
| 547 | K | 92.5 | Very high | 85.8 | Confident | 71 Ų | 71 | 81.2 Ų | 81.2 | 31% | 0.309 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 105 | 172.2 | -171.5 | 176.1 | -173.8 | -179.3 | 0 | 109.7 | A561 Y562 L598 P599 | K547-A561 WeakPolarHBondContact O-CA 3.4Å; K547-Y562 PolarHBondContact N-O 3.41Å; K547-Y562 PolarHBondContact O-N 2.87Å; K547-L598 HydrophobicContact CB-CD1 4.12Å; K547-L598 HydrophobicContact CD-CB 4.32Å; K547-L598 HydrophobicContact CD-CD1 4.19Å; K547-L598 HydrophobicContact CD-CD2 4.45Å; K547-P599 PolarHBondContact NZ-O 3.07Å |
| 548 | I | 92.7 | Very high | 85.2 | Confident | 57 Ų | 57 | 82.3 Ų | 82.3 | 29% | 0.292 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 135.6 | 177.5 | -63.2 | -174.1 | 0 | 0 | 0 | 109.9 | A530 I533 I546 I559 Y560 A561 | A530-I548 HydrophobicContact CB-CD1 4.3Å; A530-I548 VanDerWaalsContact N-CD1 3.31Å; I533-I548 HydrophobicContact CD1-CD1 3.65Å; I533-I548 HydrophobicContact CD1-CG1 3.92Å; I546-I548 HydrophobicContact CG2-CG1 4.16Å; I548-I559 HydrophobicContact CG2-CG2 3.37Å; I548-Y560 WeakPolarHBondContact CA-O 3.42Å; I548-A561 HydrophobicContact CG1-CB 4.18Å |
| 549 | V | 89.8 | Confident | 85 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 36% | 0.364 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 105.6 | 179.1 | -178.7 | 0 | 0 | 0 | 0 | 108.3 | Y560 Y562 | V549-Y560 PolarHBondContact N-O 3.08Å; V549-Y560 PolarHBondContact O-N 3.44Å; V549-Y562 HydrophobicContact CG2-CD2 4Å; V549-Y562 HydrophobicContact CG2-CE2 3.96Å |
| 550 | G | 86.9 | Confident | 84.9 | Confident | 49 Ų | 49 | 78.9 Ų | 78.9 | 51% | 0.505 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 124.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K552 | G550-K552 PolarHBondContact O-N 2.91Å |
| 551 | S | 78.1 | Confident | 84.9 | Confident | 37 Ų | 37 | 75.8 Ų | 75.8 | 26% | 0.259 | 39% | 0.394 | S | S | . | . | trans | -81.5 | 113.8 | 171.1 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | K553 S554 S558 | S551-K553 PolarHBondContact O-N 3.03Å; S551-K553 PolarHBondContact OG-N 3.48Å; S551-S554 PolarHBondContact OG-N 3.48Å; S551-S558 PolarHBondContact N-O 2.91Å | ||
| 552 | K | 74.7 | Confident | 84.9 | Confident | 209 Ų | 209 | 77.7 Ų | 77.7 | 91% | 0.909 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -76.7 | -5.9 | 166.2 | -65.1 | -173.6 | 179.3 | -178 | 0 | 113.1 | G550 | G550-K552 PolarHBondContact O-N 2.91Š|
| 553 | K | 70.7 | Confident | 84.9 | Confident | 199 Ų | 199 | 71.4 Ų | 71.4 | 87% | 0.865 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -95.2 | -25.6 | -173.6 | -69.6 | -170.4 | 176.4 | -174.1 | 0 | 113.9 | S551 | S551-K553 PolarHBondContact O-N 3.03Å; S551-K553 PolarHBondContact OG-N 3.48Å |
| 554 | S | 68.3 | Low | 84.8 | Confident | 35 Ų | 35 | 71.4 Ų | 71.4 | 25% | 0.245 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -81.6 | 151.3 | 176.4 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | S551 P556 P557 S558 | S551-S554 PolarHBondContact OG-N 3.48Å; S554-P556 CarbonylContact C-O 3.55Å; S554-P556 WeakPolarHBondContact CB-O 3.49Å; S554-P556 CarbonylContact O-C 3.6Å; S554-P556 VanDerWaalsContact O-C 3.31Å; S554-P556 PolarHBondContact OG-O 2.76Å; S554-P557 WeakPolarHBondContact O-CA 3.49Å; S554-S558 PolarHBondContact OG-N 2.81Å; S554-S558 PolarHBondContact OG-OG 3.31Å |
| 555 | K | 73.7 | Confident | 84.8 | Confident | 204 Ų | 204 | 65.4 Ų | 65.4 | 89% | 0.887 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -123.3 | 114.9 | 168.7 | -67.7 | -178.4 | 179.9 | 179.2 | 0 | 107.2 | ||
| 556 | P | 71.7 | Confident | 84.9 | Confident | 106 Ų | 106 | 66.4 Ų | 66.4 | 69% | 0.688 | 34% | 0.34 | S | S | * | . | S | Bend | cis | -62.9 | 158.6 | -6.3 | 29.4 | -36.2 | 0 | 0 | 0 | 113 | S554 S558 | S554-P556 CarbonylContact C-O 3.55Å; S554-P556 WeakPolarHBondContact CB-O 3.49Å; S554-P556 CarbonylContact O-C 3.6Å; S554-P556 VanDerWaalsContact O-C 3.31Å; S554-P556 PolarHBondContact OG-O 2.76Å; P556-S558 PolarHBondContact O-N 3.01Å; P556-S558 VanDerWaalsContact O-N 3.14Å; P556-S558 PolarHBondContact O-OG 3.13Å |
| 557 | P | 68.5 | Low | 84.9 | Confident | 52 Ų | 52 | 67.8 Ų | 67.8 | 34% | 0.338 | 35% | 0.35 | S | S | . | . | trans | -65.9 | 112.2 | 177.3 | 28.1 | -35.5 | 0 | 0 | 0 | 110.3 | S554 | S554-P557 WeakPolarHBondContact O-CA 3.49Š| ||
| 558 | S | 80.1 | Confident | 84.9 | Confident | 24 Ų | 24 | 66.8 Ų | 66.8 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | trans | -94 | 132.4 | -175.7 | -54.2 | 0 | 0 | 0 | 0 | 110 | S551 S554 P556 Y560 | S551-S558 PolarHBondContact N-O 2.91Å; S554-S558 PolarHBondContact OG-N 2.81Å; S554-S558 PolarHBondContact OG-OG 3.31Å; P556-S558 PolarHBondContact O-N 3.01Å; P556-S558 VanDerWaalsContact O-N 3.14Å; P556-S558 PolarHBondContact O-OG 3.13Å; S558-Y560 WeakPolarHBondContact O-CE2 3.12Å | ||
| 559 | I | 89.2 | Confident | 84.9 | Confident | 25 Ų | 25 | 69.5 Ų | 69.5 | 13% | 0.128 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 142.3 | 172.8 | -59.3 | -173.3 | 0 | 0 | 0 | 109.1 | L524 I548 | L524-I559 HydrophobicContact CB-CB 4Å; L524-I559 HydrophobicContact CB-CG2 4.14Å; L524-I559 WeakPolarHBondContact CB-O 3.43Å; L524-I559 HydrophobicContact CD1-CG2 4.34Å; L524-I559 PolarHBondContact N-O 2.99Å; L524-I559 PolarHBondContact O-N 3.08Å; I548-I559 HydrophobicContact CG2-CG2 3.37Å |
| 560 | Y | 92.1 | Very high | 85.1 | Confident | 64 Ų | 64 | 66.7 Ų | 66.7 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 159.2 | 174.8 | -50.7 | -92.5 | 0 | 0 | 0 | 109.2 | W520 I521 I548 V549 S558 | W520-Y560 AromaticContact CE2-CD1 3.83Å; W520-Y560 AromaticContact CH2-CD1 3.85Å; W520-Y560 HydrophobicContact CH2-CD1 3.85Å; W520-Y560 HydrophobicContact CH2-CD2 4.25Å; W520-Y560 AromaticContact CH2-CG 3.52Å; W520-Y560 HydrophobicContact CH2-CG 3.52Å; W520-Y560 AromaticContact CZ2-CD1 3.26Å; W520-Y560 HydrophobicContact CZ2-CD1 3.26Å; W520-Y560 HydrophobicContact CZ2-CD2 4.38Å; W520-Y560 HydrophobicContact CZ2-CE1 4.05Å; W520-Y560 AromaticContact CZ2-CG 3.48Å; W520-Y560 HydrophobicContact CZ2-CG 3.48Å; W520-Y560 VanDerWaalsContact CZ2-CG 3.48Å; W520-Y560 HydrophobicContact CZ3-CG 4.34Å; I521-Y560 CarbonylContact O-C 3.21Å; I521-Y560 VanDerWaalsContact O-CA 3.3Å; I521-Y560 WeakPolarHBondContact O-CA 3.42Å; I548-Y560 WeakPolarHBondContact CA-O 3.42Å; V549-Y560 PolarHBondContact N-O 3.08Å; V549-Y560 PolarHBondContact O-N 3.44Å; S558-Y560 WeakPolarHBondContact O-CE2 3.12Å |
| 561 | A | 93.2 | Very high | 85.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 130.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I521 L524 I533 K547 I548 | I521-A561 HydrophobicContact CB-CB 4.45Å; I521-A561 PolarHBondContact N-O 3.26Å; I521-A561 PolarHBondContact O-N 3.03Å; L524-A561 HydrophobicContact CD1-CB 3.65Å; I533-A561 HydrophobicContact CD1-CB 3.61Å; K547-A561 WeakPolarHBondContact O-CA 3.4Å; I548-A561 HydrophobicContact CG1-CB 4.18Å |
| 562 | Y | 93.4 | Very high | 86.1 | Confident | 58 Ų | 58 | 64.5 Ų | 64.5 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 136.3 | 159.5 | -63.7 | -73.6 | 0 | 0 | 0 | 109 | L519 W520 I546 K547 V549 I593 I596 L598 | L519-Y562 WeakPolarHBondContact O-CA 3.42Å; W520-Y562 HydrophobicContact CD2-CE1 4.25Å; W520-Y562 AromaticContact CE3-CD1 3.57Å; W520-Y562 HydrophobicContact CE3-CD1 3.57Å; W520-Y562 HydrophobicContact CE3-CD2 4.24Å; W520-Y562 AromaticContact CE3-CE1 3.34Å; W520-Y562 HydrophobicContact CE3-CE1 3.34Å; W520-Y562 HydrophobicContact CE3-CE2 4.07Å; W520-Y562 HydrophobicContact CE3-CG 4.02Å; W520-Y562 AromaticContact CE3-CZ 3.61Å; W520-Y562 HydrophobicContact CH2-CE2 4.45Å; W520-Y562 HydrophobicContact CZ3-CD1 4.05Å; W520-Y562 AromaticContact CZ3-CD2 3.95Å; W520-Y562 HydrophobicContact CZ3-CD2 3.95Å; W520-Y562 AromaticContact CZ3-CE1 3.6Å; W520-Y562 HydrophobicContact CZ3-CE1 3.6Å; W520-Y562 AromaticContact CZ3-CE2 3.5Å; W520-Y562 HydrophobicContact CZ3-CE2 3.5Å; W520-Y562 HydrophobicContact CZ3-CG 4.21Å; W520-Y562 AromaticContact CZ3-CZ 3.3Å; I546-Y562 CarbonylContact C-O 3.31Å; I546-Y562 WeakPolarHBondContact CA-O 3.26Å; K547-Y562 PolarHBondContact N-O 3.41Å; K547-Y562 PolarHBondContact O-N 2.87Å; V549-Y562 HydrophobicContact CG2-CD2 4Å; V549-Y562 HydrophobicContact CG2-CE2 3.96Å; Y562-I593 HydrophobicContact CD1-CD1 3.73Å; Y562-I593 HydrophobicContact CE1-CD1 4.01Å; Y562-I596 HydrophobicContact CE1-CD1 3.86Å; Y562-L598 HydrophobicContact CD1-CD2 4.21Å; Y562-L598 HydrophobicContact CD2-CD2 3.78Å; Y562-L598 HydrophobicContact CE2-CD2 4.31Å; Y562-L598 HydrophobicContact CG-CD2 3.72Å |
| 563 | L | 93.2 | Very high | 87 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.3 | -175.3 | 169.8 | 67.3 | 0 | 0 | 0 | 109.4 | L519 I521 V543 I546 M565 L574 | L519-L563 HydrophobicContact CB-CB 4.08Å; L519-L563 HydrophobicContact CB-CD2 4.35Å; L519-L563 HydrophobicContact CB-CG 4.37Å; L519-L563 HydrophobicContact CD1-CD2 3.9Å; L519-L563 HydrophobicContact CD1-CG 4.4Å; L519-L563 PolarHBondContact N-O 3.37Å; L519-L563 PolarHBondContact O-N 3.3Å; I521-L563 HydrophobicContact CD1-CD2 3.95Å; V543-L563 HydrophobicContact CB-CD1 4.24Å; V543-L563 HydrophobicContact CG1-CD1 3.33Å; V543-L563 HydrophobicContact CG2-CD1 3.92Å; I546-L563 HydrophobicContact CG1-CD1 3.88Å; L563-M565 HydrophobicContact CD1-SD 4.15Å; L563-M565 HydrophobicContact CD2-SD 4.02Å; L563-M565 HydrophobicContact CG-SD 4.1Å; L563-L574 HydrophobicContact CD2-CD2 3.52Å |
| 564 | I | 93.2 | Very high | 88 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 121 | 174.4 | -53.6 | 178.9 | 0 | 0 | 0 | 108.2 | F518 Q544 T545 | F518-I564 HydrophobicContact CD1-CD1 3.9Å; F518-I564 HydrophobicContact CD1-CG1 3.78Å; F518-I564 HydrophobicContact CE1-CD1 3.58Å; F518-I564 HydrophobicContact CE1-CG1 3.96Å; F518-I564 HydrophobicContact CE1-CG2 4.47Å; Q544-I564 HydrophobicContact CB-CB 4.43Å; Q544-I564 HydrophobicContact CB-CG2 4.22Å; Q544-I564 PolarHBondContact N-O 2.86Å; T545-I564 PolarHBondContact N-O 3.31Å; T545-I564 PolarHBondContact O-N 3.33Å |
| 565 | M | 94.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 150.1 | 175.1 | -60 | -57.6 | -73.6 | 0 | 0 | 111 | K517 L519 G541 V543 L563 T567 A570 A571 L574 | K517-M565 WeakPolarHBondContact CD-O 3.31Å; K517-M565 PolarHBondContact O-N 3.46Å; L519-M565 HydrophobicContact CD1-CG 3.91Å; G541-M565 WeakPolarHBondContact O-CE 3.33Å; V543-M565 HydrophobicContact CG2-CE 4.4Å; V543-M565 HydrophobicContact CG2-SD 3.95Å; L563-M565 HydrophobicContact CD1-SD 4.15Å; L563-M565 HydrophobicContact CD2-SD 4.02Å; L563-M565 HydrophobicContact CG-SD 4.1Å; M565-T567 VanDerWaalsContact C-N 3.32Å; M565-T567 WeakPolarHBondContact CB-O 3.37Å; M565-T567 PolarHBondContact O-N 2.9Å; M565-A570 HydrophobicContact CB-CB 4.4Å; M565-A570 HydrophobicContact CE-CB 3.86Å; M565-A571 HydrophobicContact CB-CB 4.13Å; M565-A571 HydrophobicContact CG-CB 3.89Å; M565-L574 HydrophobicContact CE-CD2 4.02Å; M565-L574 HydrophobicContact CG-CD2 4.3Å; M565-L574 HydrophobicContact SD-CD2 3.69Å |
| 566 | E | 93.8 | Very high | 90.1 | Very high | 85 Ų | 85 | 48.7 Ų | 48.7 | 40% | 0.397 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -64.8 | -36.1 | 177.3 | -174.8 | 164.1 | -111.9 | 0 | 0 | 112.4 | K517 K542 | K517-E566 WeakPolarHBondContact CE-O 3.29Å; K517-E566 PolarHBondContact NZ-O 3.34Å; K542-E566 HydrophobicContact CB-CB 4.28Å; K542-E566 WeakPolarHBondContact CB-OE2 3.12Å; K542-E566 VanDerWaalsContact CD-OE2 3.3Å; K542-E566 WeakPolarHBondContact CD-OE2 3.49Å; K542-E566 WeakPolarHBondContact CE-OE1 3.44Å; K542-E566 IonicContact NZ-OE1 2.72Å; K542-E566 PolarHBondContact NZ-OE1 2.89Å; K542-E566 IonicContact NZ-OE2 3.77Å; K542-E566 PolarHBondContact NZ-OE2 3.25Å; K542-E566 WeakPolarHBondContact O-CB 3.34Å; K542-E566 PolarHBondContact O-N 2.82Å |
| 567 | T | 93.5 | Very high | 91 | Very high | 64 Ų | 64 | 45.6 Ų | 45.6 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -122.9 | 151.7 | 175.5 | 68.4 | 0 | 0 | 0 | 0 | 111.8 | M565 A570 A571 | M565-T567 VanDerWaalsContact C-N 3.32Å; M565-T567 WeakPolarHBondContact CB-O 3.37Å; M565-T567 PolarHBondContact O-N 2.9Å; T567-A570 PolarHBondContact O-N 3.49Å; T567-A570 VanDerWaalsContact OG1-CB 3.24Å; T567-A570 WeakPolarHBondContact OG1-CB 3.31Å; T567-A570 PolarHBondContact OG1-N 3.41Å; T567-A571 PolarHBondContact O-N 3.11Å |
| 568 | S | 92.4 | Very high | 92.1 | Very high | 50 Ų | 50 | 43.5 Ų | 43.5 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -70 | -36.7 | 176.6 | 43.5 | 0 | 0 | 0 | 0 | 111.9 | S515 A570 A571 V572 | S515-S568 WeakPolarHBondContact O-CB 3.39Å; S568-A570 VanDerWaalsContact C-N 3.32Å; S568-A570 PolarHBondContact O-N 3.01Å; S568-A571 WeakPolarHBondContact O-CB 3.43Å; S568-A571 PolarHBondContact O-N 2.6Å; S568-A571 VanDerWaalsContact O-N 3.08Å; S568-V572 PolarHBondContact O-N 3.37Å |
| 569 | E | 92.9 | Very high | 92.5 | Very high | 114 Ų | 114 | 47.2 Ų | 47.2 | 53% | 0.533 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.6 | -42.5 | 173.3 | -165.1 | -151.8 | 141.8 | 0 | 0 | 111.8 | A571 V572 R573 | E569-A571 VanDerWaalsContact C-N 3.31Å; E569-A571 PolarHBondContact O-N 3.3Å; E569-V572 PolarHBondContact O-N 3.06Å; E569-R573 WeakPolarHBondContact O-CG 3.34Å; E569-R573 PolarHBondContact O-N 3.13Å; E569-R573 IonicContact OE1-CZ 3.35Å; E569-R573 VanDerWaalsContact OE1-CZ 3.29Å; E569-R573 IonicContact OE1-NE 3.55Å; E569-R573 IonicContact OE1-NH1 2.65Å; E569-R573 PolarHBondContact OE1-NH1 3.39Å |
| 570 | A | 93.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61 | -39.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y540 M565 T567 S568 R573 L574 | Y540-A570 WeakPolarHBondContact O-CB 3.36Å; M565-A570 HydrophobicContact CB-CB 4.4Å; M565-A570 HydrophobicContact CE-CB 3.86Å; T567-A570 PolarHBondContact O-N 3.49Å; T567-A570 VanDerWaalsContact OG1-CB 3.24Å; T567-A570 WeakPolarHBondContact OG1-CB 3.31Å; T567-A570 PolarHBondContact OG1-N 3.41Å; S568-A570 VanDerWaalsContact C-N 3.32Å; S568-A570 PolarHBondContact O-N 3.01Å; A570-R573 PolarHBondContact O-N 3.06Å; A570-L574 WeakPolarHBondContact O-CB 3.48Å; A570-L574 PolarHBondContact O-N 2.76Å |
| 571 | A | 93.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.9 | -44.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | S516 L519 M565 T567 S568 E569 L574 V575 | S516-A571 WeakPolarHBondContact O-CB 3.48Å; L519-A571 HydrophobicContact CD1-CB 3.98Å; L519-A571 HydrophobicContact CD2-CB 4.24Å; L519-A571 HydrophobicContact CG-CB 4.17Å; M565-A571 HydrophobicContact CB-CB 4.13Å; M565-A571 HydrophobicContact CG-CB 3.89Å; T567-A571 PolarHBondContact O-N 3.11Å; S568-A571 WeakPolarHBondContact O-CB 3.43Å; S568-A571 PolarHBondContact O-N 2.6Å; S568-A571 VanDerWaalsContact O-N 3.08Å; E569-A571 VanDerWaalsContact C-N 3.31Å; E569-A571 PolarHBondContact O-N 3.3Å; A571-L574 PolarHBondContact O-N 3.31Å; A571-V575 VanDerWaalsContact O-CG2 3.27Å; A571-V575 WeakPolarHBondContact O-CG2 3.31Å; A571-V575 PolarHBondContact O-N 2.99Å |
| 572 | V | 92.4 | Very high | 91.9 | Very high | 41 Ų | 41 | 54.3 Ų | 54.3 | 25% | 0.248 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 177.2 | 174.8 | 0 | 0 | 0 | 0 | 111.8 | S514 S568 E569 K576 | S514-V572 WeakPolarHBondContact O-CG2 3.35Å; S568-V572 PolarHBondContact O-N 3.37Å; E569-V572 PolarHBondContact O-N 3.06Å; V572-K576 HydrophobicContact CG1-CD 4.27Å; V572-K576 WeakPolarHBondContact O-CG 3.17Å; V572-K576 PolarHBondContact O-N 3.27Å; V572-K576 VanDerWaalsContact O-N 3.11Å |
| 573 | R | 92.9 | Very high | 91.5 | Very high | 112 Ų | 112 | 54.2 Ų | 54.2 | 42% | 0.423 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 176.4 | -67.4 | -176.3 | -51.7 | -168.5 | 13 | 111.6 | Y540 E569 A570 K576 A577 | Y540-R573 PolarHBondContact O-NH2 3.24Å; E569-R573 WeakPolarHBondContact O-CG 3.34Å; E569-R573 PolarHBondContact O-N 3.13Å; E569-R573 IonicContact OE1-CZ 3.35Å; E569-R573 VanDerWaalsContact OE1-CZ 3.29Å; E569-R573 IonicContact OE1-NE 3.55Å; E569-R573 IonicContact OE1-NH1 2.65Å; E569-R573 PolarHBondContact OE1-NH1 3.39Å; A570-R573 PolarHBondContact O-N 3.06Å; R573-K576 PolarHBondContact O-N 2.85Å; R573-A577 WeakPolarHBondContact O-CB 3.46Å; R573-A577 PolarHBondContact O-N 3.03Å; R573-A577 VanDerWaalsContact O-N 3.08Å |
| 574 | L | 93.2 | Very high | 91 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.9 | -44.8 | 178.1 | -176.6 | 66.8 | 0 | 0 | 0 | 112.2 | L519 C537 Y540 L563 M565 A570 A571 A577 L578 | L519-L574 HydrophobicContact CD1-CD2 3.59Å; L519-L574 HydrophobicContact CD1-CG 4.36Å; C537-L574 HydrophobicContact CB-CD1 4.06Å; C537-L574 HydrophobicContact CB-CD2 4.09Å; Y540-L574 HydrophobicContact CD2-CD1 3.24Å; Y540-L574 HydrophobicContact CE2-CD1 3.94Å; Y540-L574 HydrophobicContact CG-CB 4.29Å; Y540-L574 HydrophobicContact CG-CD1 3.77Å; L563-L574 HydrophobicContact CD2-CD2 3.52Å; M565-L574 HydrophobicContact CE-CD2 4.02Å; M565-L574 HydrophobicContact CG-CD2 4.3Å; M565-L574 HydrophobicContact SD-CD2 3.69Å; A570-L574 WeakPolarHBondContact O-CB 3.48Å; A570-L574 PolarHBondContact O-N 2.76Å; A571-L574 PolarHBondContact O-N 3.31Å; L574-A577 PolarHBondContact O-N 3.41Å; L574-L578 HydrophobicContact CD1-CD1 3.32Å; L574-L578 HydrophobicContact CD1-CG 3.92Å; L574-L578 HydrophobicContact CG-CD1 4.19Å; L574-L578 WeakPolarHBondContact O-CB 3.37Å; L574-L578 PolarHBondContact O-N 2.88Å |
| 575 | V | 93.1 | Very high | 90.5 | Very high | 28 Ų | 28 | 60.9 Ų | 60.9 | 17% | 0.17 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.1 | -49.2 | 175.4 | 171.1 | 0 | 0 | 0 | 0 | 111 | L519 A571 A577 Q579 I590 Q592 | L519-V575 HydrophobicContact CD1-CG2 4.49Å; L519-V575 HydrophobicContact CD2-CG2 3.4Å; L519-V575 VanDerWaalsContact CD2-CG2 3.4Å; A571-V575 VanDerWaalsContact O-CG2 3.27Å; A571-V575 WeakPolarHBondContact O-CG2 3.31Å; A571-V575 PolarHBondContact O-N 2.99Å; V575-A577 PolarHBondContact O-N 3.14Å; V575-Q579 WeakPolarHBondContact O-CB 3.34Å; V575-Q579 PolarHBondContact O-N 2.85Å; V575-I590 HydrophobicContact CG2-CG2 3.81Å; V575-Q592 HydrophobicContact CG2-CG 4.18Å |
| 576 | K | 91.9 | Very high | 90 | Very high | 175 Ų | 175 | 63.3 Ų | 63.3 | 76% | 0.761 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -61.6 | -29.9 | -179.1 | -74.4 | 178.9 | 178.7 | -176.6 | 0 | 113.5 | V572 R573 | V572-K576 HydrophobicContact CG1-CD 4.27Å; V572-K576 WeakPolarHBondContact O-CG 3.17Å; V572-K576 PolarHBondContact O-N 3.27Å; V572-K576 VanDerWaalsContact O-N 3.11Å; R573-K576 PolarHBondContact O-N 2.85Å |
| 577 | A | 90.9 | Very high | 89.9 | Confident | 40 Ų | 40 | 63.4 Ų | 63.4 | 33% | 0.331 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -97.3 | -30 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y540 R573 L574 V575 V581 | Y540-A577 HydrophobicContact CD1-CB 3.98Å; Y540-A577 HydrophobicContact CE1-CB 3.19Å; R573-A577 WeakPolarHBondContact O-CB 3.46Å; R573-A577 PolarHBondContact O-N 3.03Å; R573-A577 VanDerWaalsContact O-N 3.08Å; L574-A577 PolarHBondContact O-N 3.41Å; V575-A577 PolarHBondContact O-N 3.14Å; A577-V581 VanDerWaalsContact O-CG2 3.25Å; A577-V581 WeakPolarHBondContact O-CG2 3.48Å |
| 578 | L | 90.9 | Very high | 89.8 | Confident | 8 Ų | 8 | 60.3 Ų | 60.3 | 4% | 0.042 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -101.2 | -9.9 | -178.8 | -66 | -173.2 | 0 | 0 | 0 | 114.7 | M536 Y540 L574 G580 V581 I590 | M536-L578 HydrophobicContact CE-CD1 3.95Å; M536-L578 HydrophobicContact CG-CD1 3.68Å; M536-L578 HydrophobicContact CG-CD2 4.08Å; M536-L578 HydrophobicContact SD-CD1 3.98Å; M536-L578 HydrophobicContact SD-CD2 4.48Å; Y540-L578 HydrophobicContact CE2-CD1 4.35Å; Y540-L578 HydrophobicContact CE2-CD2 4.01Å; Y540-L578 HydrophobicContact CE2-CG 4Å; L574-L578 HydrophobicContact CD1-CD1 3.32Å; L574-L578 HydrophobicContact CD1-CG 3.92Å; L574-L578 HydrophobicContact CG-CD1 4.19Å; L574-L578 WeakPolarHBondContact O-CB 3.37Å; L574-L578 PolarHBondContact O-N 2.88Å; L578-G580 PolarHBondContact O-N 3.44Å; L578-G580 VanDerWaalsContact O-N 3.17Å; L578-V581 HydrophobicContact CD2-CB 4.45Å; L578-V581 HydrophobicContact CD2-CG2 4.25Å; L578-V581 WeakPolarHBondContact O-CB 3.28Å; L578-V581 PolarHBondContact O-N 3.44Å; L578-V581 VanDerWaalsContact O-N 3.11Å; L578-I590 HydrophobicContact CB-CD1 3.55Å; L578-I590 HydrophobicContact CD1-CD1 4.15Å; L578-I590 HydrophobicContact CG-CD1 4.5Å |
| 579 | Q | 90.2 | Very high | 89.8 | Confident | 102 Ų | 102 | 63.6 Ų | 63.6 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 116.6 | 175.2 | 179.6 | 68.5 | -9.1 | 0 | 0 | 110.8 | V575 V581 I590 | V575-Q579 WeakPolarHBondContact O-CB 3.34Å; V575-Q579 PolarHBondContact O-N 2.85Å; Q579-V581 VanDerWaalsContact C-N 3.35Å; Q579-I590 PolarHBondContact OE1-O 2.78Å |
| 580 | G | 87.3 | Confident | 89.8 | Confident | 39 Ų | 39 | 58.4 Ų | 58.4 | 40% | 0.402 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | -0.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L578 K582 L588 | L578-G580 PolarHBondContact O-N 3.44Å; L578-G580 VanDerWaalsContact O-N 3.17Å; G580-K582 PolarHBondContact O-N 2.99Å; G580-L588 PolarHBondContact N-O 3.24Å |
| 581 | V | 88 | Confident | 89.6 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 35% | 0.345 | 35% | 0.346 | S | S | . | . | trans | -65.8 | 133.9 | 177.1 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | A577 L578 Q579 F583 L588 | A577-V581 VanDerWaalsContact O-CG2 3.25Å; A577-V581 WeakPolarHBondContact O-CG2 3.48Å; L578-V581 HydrophobicContact CD2-CB 4.45Å; L578-V581 HydrophobicContact CD2-CG2 4.25Å; L578-V581 WeakPolarHBondContact O-CB 3.28Å; L578-V581 PolarHBondContact O-N 3.44Å; L578-V581 VanDerWaalsContact O-N 3.11Å; Q579-V581 VanDerWaalsContact C-N 3.35Å; V581-F583 PolarHBondContact O-N 3.47Å; V581-L588 PolarHBondContact O-N 3.28Å | ||
| 582 | K | 86.4 | Confident | 89.5 | Confident | 143 Ų | 143 | 67 Ų | 67 | 62% | 0.622 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 99.3 | 178.7 | -72 | -176.2 | 177.5 | -174.7 | 0 | 110.9 | G580 N586 E587 | G580-K582 PolarHBondContact O-N 2.99Å; K582-N586 CarbonylContact C-O 3.55Å; K582-N586 WeakPolarHBondContact CA-O 3.4Å; K582-E587 HydrophobicContact CD-CG 4.22Å; K582-E587 VanDerWaalsContact CE-CD 3.49Å; K582-E587 WeakPolarHBondContact CE-OE1 3.44Å; K582-E587 HydrophobicContact CG-CG 3.69Å; K582-E587 IonicContact NZ-OE1 2.85Å; K582-E587 PolarHBondContact NZ-OE1 3.27Å |
| 583 | F | 84.9 | Confident | 89.4 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 24% | 0.241 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.2 | 175.1 | -167.3 | -82.6 | 0 | 0 | 0 | 109.9 | P525 V528 M536 V581 G585 N586 L588 | P525-F583 HydrophobicContact CG-CD1 3.86Å; P525-F583 HydrophobicContact CG-CE1 4.41Å; V528-F583 HydrophobicContact CG2-CD1 4.26Å; V528-F583 HydrophobicContact CG2-CE1 3.72Å; M536-F583 HydrophobicContact SD-CD2 3.65Å; M536-F583 HydrophobicContact SD-CE2 4.04Å; M536-F583 HydrophobicContact SD-CG 4.39Å; V581-F583 PolarHBondContact O-N 3.47Å; F583-G585 PolarHBondContact O-N 3.44Å; F583-G585 VanDerWaalsContact O-N 3.11Å; F583-N586 PolarHBondContact N-O 3.05Å; F583-N586 PolarHBondContact O-N 3.22Å; F583-L588 HydrophobicContact CB-CD1 3.75Å; F583-L588 HydrophobicContact CB-CD2 4.05Å; F583-L588 HydrophobicContact CB-CG 3.83Å; F583-L588 HydrophobicContact CG-CD1 4.37Å |
| 584 | S | 81.7 | Confident | 89 | Confident | 99 Ų | 99 | 65 Ų | 65 | 69% | 0.692 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 39.1 | -177 | -47.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 585 | G | 82.6 | Confident | 88.4 | Confident | 66 Ų | 66 | 69 Ų | 69 | 68% | 0.68 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.8 | -20.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | F583 | F583-G585 PolarHBondContact O-N 3.44Å; F583-G585 VanDerWaalsContact O-N 3.11Å |
| 586 | N | 84.9 | Confident | 87.2 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 27% | 0.273 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 132.7 | -178.8 | -74.6 | 7.4 | 0 | 0 | 0 | 112.2 | N523 K582 F583 L588 | N523-N586 VanDerWaalsContact O-CB 3.26Å; N523-N586 WeakPolarHBondContact O-CB 3.07Å; N523-N586 PolarHBondContact O-ND2 2.67Å; K582-N586 CarbonylContact C-O 3.55Å; K582-N586 WeakPolarHBondContact CA-O 3.4Å; F583-N586 PolarHBondContact N-O 3.05Å; F583-N586 PolarHBondContact O-N 3.22Å; N586-L588 PolarHBondContact O-N 3.1Å |
| 587 | E | 90.4 | Very high | 85.6 | Confident | 86 Ų | 86 | 73.5 Ų | 73.5 | 40% | 0.402 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 115.7 | 168.8 | -68.8 | 174.4 | -171.9 | 0 | 0 | 110.4 | N523 K582 | N523-E587 WeakPolarHBondContact CB-O 3.32Å; N523-E587 PolarHBondContact ND2-O 3.48Å; K582-E587 HydrophobicContact CD-CG 4.22Å; K582-E587 VanDerWaalsContact CE-CD 3.49Å; K582-E587 WeakPolarHBondContact CE-OE1 3.44Å; K582-E587 HydrophobicContact CG-CG 3.69Å; K582-E587 IonicContact NZ-OE1 2.85Å; K582-E587 PolarHBondContact NZ-OE1 3.27Å |
| 588 | L | 92 | Very high | 84 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.388 | C | S | . | . | trans | -73.1 | 135.9 | 179.7 | -61.9 | -174.8 | 0 | 0 | 0 | 111.5 | L524 M536 G580 V581 F583 N586 | L524-L588 HydrophobicContact CD2-CD2 3.76Å; L524-L588 HydrophobicContact CG-CD2 4.37Å; M536-L588 HydrophobicContact CE-CD1 3.72Å; M536-L588 HydrophobicContact SD-CD1 3.44Å; M536-L588 WeakPolarHBondContact SD-CD1 3.46Å; G580-L588 PolarHBondContact N-O 3.24Å; V581-L588 PolarHBondContact O-N 3.28Å; F583-L588 HydrophobicContact CB-CD1 3.75Å; F583-L588 HydrophobicContact CB-CD2 4.05Å; F583-L588 HydrophobicContact CB-CG 3.83Å; F583-L588 HydrophobicContact CG-CD1 4.37Å; N586-L588 PolarHBondContact O-N 3.1Å | ||
| 589 | K | 91.4 | Very high | 81.7 | Confident | 118 Ų | 118 | 81.6 Ų | 81.6 | 51% | 0.513 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 107 | 177.1 | -71.5 | 177.2 | -177.2 | 177.4 | 0 | 109.5 | S522 | S522-K589 PolarHBondContact N-O 3.32Å; S522-K589 PolarHBondContact O-N 3.01Å; S522-K589 VanDerWaalsContact O-N 3.07Å; S522-K589 WeakPolarHBondContact OG-CB 3.46Å; S522-K589 PolarHBondContact OG-O 3.1Å |
| 590 | I | 93.4 | Very high | 81.3 | Confident | 5 Ų | 5 | 80.6 Ų | 80.6 | 3% | 0.026 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 137.6 | 179.5 | -47.8 | -167.9 | 0 | 0 | 0 | 109.7 | L519 W520 I521 V575 L578 Q579 | L519-I590 HydrophobicContact CB-CG2 4.39Å; L519-I590 HydrophobicContact CD2-CG2 4.2Å; W520-I590 CarbonylContact O-C 3.54Å; W520-I590 VanDerWaalsContact O-CA 3.3Å; W520-I590 WeakPolarHBondContact O-CA 3.35Å; I521-I590 HydrophobicContact CD1-CD1 4.16Å; I521-I590 HydrophobicContact CG1-CD1 4.06Å; I521-I590 HydrophobicContact CG1-CG1 4.06Å; I521-I590 HydrophobicContact CG1-CG2 4.25Å; I521-I590 HydrophobicContact CG2-CG1 4.25Å; V575-I590 HydrophobicContact CG2-CG2 3.81Å; L578-I590 HydrophobicContact CB-CD1 3.55Å; L578-I590 HydrophobicContact CD1-CD1 4.15Å; L578-I590 HydrophobicContact CG-CD1 4.5Å; Q579-I590 PolarHBondContact OE1-O 2.78Å |
| 591 | K | 91 | Very high | 81 | Confident | 143 Ų | 143 | 82.8 Ų | 82.8 | 62% | 0.622 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.1 | 168.4 | -66.6 | -170.8 | 174.3 | -169.9 | 0 | 110.2 | L519 W520 | L519-K591 WeakPolarHBondContact CA-O 2.98Å; W520-K591 PolarHBondContact N-O 3.03Å; W520-K591 PolarHBondContact O-N 3.44Å |
| 592 | Q | 91 | Very high | 80.6 | Confident | 39 Ų | 39 | 84.2 Ų | 84.2 | 18% | 0.182 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 139.4 | 156.3 | -79.3 | 174.3 | -61.4 | 0 | 0 | 108.8 | L513 S514 S516 L519 V575 | L513-Q592 HydrophobicContact CB-CB 4.34Å; L513-Q592 PolarHBondContact O-NE2 3.47Å; L513-Q592 VanDerWaalsContact O-NE2 3.16Å; L513-Q592 PolarHBondContact O-OE1 3.33Å; S514-Q592 PolarHBondContact O-NE2 3.43Å; S516-Q592 PolarHBondContact O-NE2 2.9Å; S516-Q592 VanDerWaalsContact O-NE2 3.1Å; L519-Q592 HydrophobicContact CD2-CB 4.4Å; L519-Q592 HydrophobicContact CD2-CG 3.58Å; V575-Q592 HydrophobicContact CG2-CG 4.18Å |
| 593 | I | 90.3 | Very high | 80.2 | Confident | 31 Ų | 31 | 80.8 Ų | 80.8 | 16% | 0.159 | 43% | 0.432 | C | S | . | . | trans | -128.5 | 160.4 | 179.3 | 54.3 | 164.8 | 0 | 0 | 0 | 109.6 | S516 F518 W520 Y562 I596 | S516-I593 WeakPolarHBondContact CB-O 3.46Å; S516-I593 PolarHBondContact OG-O 2.82Å; F518-I593 HydrophobicContact CB-CD1 4.28Å; F518-I593 HydrophobicContact CB-CG1 3.79Å; F518-I593 WeakPolarHBondContact O-CG1 3.39Å; F518-I593 PolarHBondContact O-N 3.34Å; W520-I593 HydrophobicContact CB-CD1 4.34Å; W520-I593 HydrophobicContact CB-CG2 3.75Å; Y562-I593 HydrophobicContact CD1-CD1 3.73Å; Y562-I593 HydrophobicContact CE1-CD1 4.01Å; I593-I596 HydrophobicContact CD1-CD1 3.92Å; I593-I596 HydrophobicContact CD1-CG1 4.33Å | ||
| 594 | N | 84 | Confident | 79.9 | Confident | 81 Ų | 81 | 82.4 Ų | 82.4 | 43% | 0.433 | 44% | 0.443 | S | S | . | . | trans | -61.8 | 161 | 168.1 | -81.9 | -48.2 | 0 | 0 | 0 | 111.3 | L513 I596 | L513-N594 WeakPolarHBondContact CD2-OD1 3.33Å; N594-I596 VanDerWaalsContact C-N 3.27Å; N594-I596 PolarHBondContact O-N 3.39Å | ||
| 595 | P | 79.6 | Confident | 79.8 | Confident | 83 Ų | 83 | 81.3 Ų | 81.3 | 54% | 0.539 | 43% | 0.427 | S | S | . | . | trans | -65.9 | 81.3 | 176.2 | 27.8 | -36.6 | 0 | 0 | 0 | 112.1 | F518 R597 | F518-P595 HydrophobicContact CD2-CB 3.93Å; F518-P595 HydrophobicContact CE1-CB 4.28Å; F518-P595 HydrophobicContact CE2-CB 3.59Å; F518-P595 HydrophobicContact CG-CB 4.44Å; F518-P595 HydrophobicContact CZ-CB 3.78Å; P595-R597 PolarHBondContact O-N 3.14Å | ||
| 596 | I | 68.9 | Low | 79.6 | Confident | 74 Ų | 74 | 82.4 Ų | 82.4 | 38% | 0.379 | 41% | 0.409 | S | S | . | . | trans | -66.2 | 121.9 | 171.8 | -60 | 179.3 | 0 | 0 | 0 | 108.2 | Y562 I593 N594 L598 | Y562-I596 HydrophobicContact CE1-CD1 3.86Å; I593-I596 HydrophobicContact CD1-CD1 3.92Å; I593-I596 HydrophobicContact CD1-CG1 4.33Å; N594-I596 VanDerWaalsContact C-N 3.27Å; N594-I596 PolarHBondContact O-N 3.39Å; I596-L598 HydrophobicContact CG2-CD2 4.32Å; I596-L598 PolarHBondContact O-N 2.99Å | ||
| 597 | R | 58.5 | Low | 79.2 | Confident | 224 Ų | 224 | 84.8 Ų | 84.8 | 85% | 0.845 | 42% | 0.419 | S | S | * | . | trans | -66.1 | 98.5 | 163.1 | -68.8 | -176.1 | -176.9 | 163.1 | 2.7 | 107.7 | P595 | P595-R597 PolarHBondContact O-N 3.14Š| ||
| 598 | L | 57.5 | Low | 78.3 | Confident | 53 Ų | 53 | 84.7 Ų | 84.7 | 28% | 0.277 | 42% | 0.421 | S | S | . | . | trans | -61.2 | 131.3 | 174.3 | -61.5 | 177.9 | 0 | 0 | 0 | 108.7 | K547 Y562 I596 | K547-L598 HydrophobicContact CB-CD1 4.12Å; K547-L598 HydrophobicContact CD-CB 4.32Å; K547-L598 HydrophobicContact CD-CD1 4.19Å; K547-L598 HydrophobicContact CD-CD2 4.45Å; Y562-L598 HydrophobicContact CD1-CD2 4.21Å; Y562-L598 HydrophobicContact CD2-CD2 3.78Å; Y562-L598 HydrophobicContact CE2-CD2 4.31Å; Y562-L598 HydrophobicContact CG-CD2 3.72Å; I596-L598 HydrophobicContact CG2-CD2 4.32Å; I596-L598 PolarHBondContact O-N 2.99Å | ||
| 599 | P | 42.4 | Very low | 77.1 | Confident | 165 Ų | 165 | 92.4 Ų | 92.4 | 100% | 1.071 | 46% | 0.459 | S | S | * | . | trans | -74.5 | 0 | 173.2 | 32.3 | -35.9 | 0 | 0 | 0 | 112.1 | K547 | K547-P599 PolarHBondContact NZ-O 3.07Š|
Retrieved 599 of 599 residues in 636.6 ms
(Link to these results)