| 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 | 36 | Very low | 38.3 | Very low | 248 Ų | 248 | 146.5 Ų | 146.5 | 100% | 1.222 | 80% | 0.802 | S | S | * | * | 0 | 151 | 0 | -64.5 | 169 | 74.5 | 0 | 0 | 108.2 | |||||
| 2 | A | 38.2 | Very low | 37.7 | Very low | 87 Ų | 87 | 142.4 Ų | 142.4 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | -102.1 | -175.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3 | P | 56.6 | Low | 37.5 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | cis | -112.5 | 176.8 | 22.2 | 45.6 | -35.6 | 0 | 0 | 0 | 112.4 | ||||
| 4 | A | 39.6 | Very low | 36.9 | Very low | 86 Ų | 86 | 140.8 Ų | 140.8 | 71% | 0.711 | 78% | 0.782 | S | S | * | * | cis | 85.2 | 122.7 | 14.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 5 | L | 39.1 | Very low | 36.4 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | -174 | 157 | 145.5 | -106.9 | 176.5 | 0 | 0 | 0 | 112.4 | ||||
| 6 | T | 42.9 | Very low | 35.9 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -153.7 | 153.6 | -173.7 | 49.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 7 | K | 37.1 | Very low | 35.5 | Very low | 202 Ų | 202 | 142.7 Ų | 142.7 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | trans | -154.9 | 145 | 154 | -69.6 | -166.7 | -179.3 | -179.9 | 0 | 108.1 | ||||
| 8 | I | 34.5 | Very low | 35.2 | Very low | 142 Ų | 142 | 141.9 Ų | 141.9 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | cis | 90.1 | 97.9 | 4.4 | -46.4 | 168 | 0 | 0 | 0 | 116.1 | ||||
| 9 | L | 30 | Very low | 34.9 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | 145.9 | 126.1 | 162.4 | -89.2 | 166.3 | 0 | 0 | 0 | 108.4 | ||||
| 10 | K | 34.1 | Very low | 35.6 | Very low | 147 Ų | 147 | 139 Ų | 139 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | cis | 85 | 100.3 | -10.8 | -152.2 | -85.8 | 174.3 | 177.7 | 0 | 120.3 | D12 | K10-D12 WeakPolarHBondContact CE-OD1 3.39Å; K10-D12 IonicContact NZ-OD1 3.29Å; K10-D12 PolarHBondContact NZ-OD1 2.98Å; K10-D12 IonicContact NZ-OD2 2.6Å; K10-D12 PolarHBondContact NZ-OD2 3.01Å | ||
| 11 | N | 33.5 | Very low | 35.9 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -152.3 | 133.1 | 146.7 | -77.9 | -26.6 | 0 | 0 | 0 | 104.5 | ||||
| 12 | D | 31.4 | Very low | 35.5 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 52% | 0.524 | 76% | 0.756 | S | S | . | * | cis | 93.8 | 149.7 | 44 | -75.1 | -18.9 | 0 | 0 | 0 | 114.6 | K10 | K10-D12 WeakPolarHBondContact CE-OD1 3.39Å; K10-D12 IonicContact NZ-OD1 3.29Å; K10-D12 PolarHBondContact NZ-OD1 2.98Å; K10-D12 IonicContact NZ-OD2 2.6Å; K10-D12 PolarHBondContact NZ-OD2 3.01Å | ||
| 13 | H | 34.9 | Very low | 35.2 | Very low | 195 Ų | 195 | 130.9 Ų | 130.9 | 90% | 0.903 | 76% | 0.756 | S | S | * | * | trans | 75.3 | 141.3 | -172.5 | -37.3 | -65.5 | 0 | 0 | 0 | 116.3 | ||||
| 14 | G | 29 | Very low | 33.7 | Very low | 67 Ų | 67 | 131.8 Ų | 131.8 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | cis | 173.8 | 80 | -9.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 15 | I | 28.9 | Very low | 33.2 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | 61.8 | 154.1 | 146.1 | -13.7 | -180 | 0 | 0 | 0 | 121.9 | ||||
| 16 | H | 29 | Very low | 32.8 | Very low | 153 Ų | 153 | 129.3 Ų | 129.3 | 71% | 0.708 | 75% | 0.75 | S | S | * | * | trans | 78.9 | 129.4 | 165.1 | -58.6 | -65.1 | 0 | 0 | 0 | 117.6 | ||||
| 17 | L | 29.4 | Very low | 32.1 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 80% | 0.801 | 75% | 0.753 | S | S | * | * | cis | 107.9 | 106.9 | 24.5 | -83.6 | -169.5 | 0 | 0 | 0 | 112.2 | ||||
| 18 | S | 29.9 | Very low | 32 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 90% | 0.902 | 75% | 0.749 | S | S | * | * | trans | 175.3 | 164.6 | 137.1 | 54.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 19 | S | 28.9 | Very low | 31.7 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -160.2 | -178 | 176.5 | 61.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 20 | P | 49.1 | Very low | 31.6 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | cis | -97.4 | -119.7 | -14.5 | 39.8 | -26.1 | 0 | 0 | 0 | 109.8 | ||||
| 21 | P | 42.7 | Very low | 31.3 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | cis | -101.6 | -166.5 | -5.4 | 45.1 | -34.7 | 0 | 0 | 0 | 111.7 | ||||
| 22 | A | 27.7 | Very low | 31 | Very low | 89 Ų | 89 | 118.9 Ų | 118.9 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | cis | 78.2 | 142.9 | 12.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 23 | S | 30.9 | Very low | 30.8 | Very low | 103 Ų | 103 | 121.9 Ų | 121.9 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | cis | -173.7 | 167.2 | -12.4 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 24 | V | 26.3 | Very low | 30.4 | Very low | 141 Ų | 141 | 119.5 Ų | 119.5 | 86% | 0.855 | 76% | 0.758 | S | S | * | * | trans | 74.7 | 151.6 | 171.3 | -171.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 25 | A | 28.3 | Very low | 30.2 | Very low | 83 Ų | 83 | 121.1 Ų | 121.1 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | cis | -141.1 | 155.1 | 7.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 26 | V | 30.8 | Very low | 30 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 75% | 0.745 | 76% | 0.756 | S | S | * | * | 85.4 | 106.6 | 68.8 | 178.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 27 | D | 28.8 | Very low | 30 | Very low | 142 Ų | 142 | 118 Ų | 118 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | 59.4 | 151.8 | 140.6 | -55.5 | -8.4 | 0 | 0 | 0 | 127 | ||||
| 28 | S | 33.2 | Very low | 29.7 | Very low | 114 Ų | 114 | 118.6 Ų | 118.6 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | 76.7 | 160.8 | 148.2 | -69.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 29 | D | 28.4 | Very low | 29.8 | Very low | 146 Ų | 146 | 119.7 Ų | 119.7 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | cis | -172.9 | 162.6 | -43.4 | -151.7 | -19.5 | 0 | 0 | 0 | 108.4 | ||||
| 30 | A | 28.2 | Very low | 29.6 | Very low | 83 Ų | 83 | 122 Ų | 122 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | trans | 62.1 | 172 | 161.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 31 | S | 28.4 | Very low | 29.5 | Very low | 103 Ų | 103 | 120.7 Ų | 120.7 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | cis | -161 | 134.1 | -21.7 | 35 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 32 | A | 26.4 | Very low | 28.7 | Very low | 90 Ų | 90 | 122.4 Ų | 122.4 | 74% | 0.744 | 74% | 0.738 | S | S | * | * | trans | 53.3 | 176.7 | 131.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 33 | I | 27.7 | Very low | 28.8 | Very low | 160 Ų | 160 | 125.4 Ų | 125.4 | 82% | 0.821 | 74% | 0.741 | S | S | * | * | trans | 76.8 | 136.7 | 168.3 | -56 | 171.8 | 0 | 0 | 0 | 115.2 | ||||
| 34 | L | 25.6 | Very low | 28.6 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 76% | 0.764 | 75% | 0.747 | S | S | * | * | cis | -175.4 | 173.7 | -35.1 | -123.8 | 173.5 | 0 | 0 | 0 | 108.6 | ||||
| 35 | C | 25.8 | Very low | 29.8 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 68% | 0.676 | 74% | 0.741 | S | S | * | * | trans | 70.3 | 153.9 | 159.3 | -64.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 36 | T | 25.1 | Very low | 29.9 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | cis | -166.2 | -179.7 | -12.9 | 21.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 37 | V | 27.7 | Very low | 29.8 | Very low | 118 Ų | 118 | 131.9 Ų | 131.9 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | trans | 97.5 | 107.4 | 159.5 | -175.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 38 | E | 24.2 | Very low | 29.9 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | 75.1 | 138.4 | 80.2 | -112.4 | -179.7 | -163.4 | 0 | 0 | 112.3 | |||||
| 39 | L | 31.3 | Very low | 29.8 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 80% | 0.801 | 75% | 0.754 | S | S | * | * | cis | -142.6 | 172.7 | 18.3 | -83.6 | 156.6 | 0 | 0 | 0 | 112.7 | ||||
| 40 | E | 25.7 | Very low | 30.1 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -77.7 | -172.9 | 157.9 | -135.1 | -127.6 | 121.4 | 0 | 0 | 109.1 | H42 | E40-H42 PolarHBondContact OE1-N 2.92Š| ||
| 41 | P | 45.5 | Very low | 30.5 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 58% | 0.578 | 74% | 0.744 | S | S | * | * | cis | -145.5 | -177.6 | 14.8 | 40.6 | -17.5 | 0 | 0 | 0 | 120.5 | ||||
| 42 | H | 26.5 | Very low | 30.7 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 68% | 0.676 | 75% | 0.75 | S | S | * | * | trans | 104.2 | 126.9 | 135.8 | -80.2 | -16.6 | 0 | 0 | 0 | 124.2 | E40 | E40-H42 PolarHBondContact OE1-N 2.92Š| ||
| 43 | L | 29.7 | Very low | 31.1 | Very low | 152 Ų | 152 | 138.7 Ų | 138.7 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | 81.4 | 81.1 | 136.3 | -64.2 | 168.6 | 0 | 0 | 0 | 122.9 | ||||
| 44 | R | 26.8 | Very low | 31.2 | Very low | 226 Ų | 226 | 137.2 Ų | 137.2 | 85% | 0.853 | 74% | 0.742 | S | S | * | * | -4 | 166.1 | 109.9 | -72.5 | -68.5 | -150.9 | 148.6 | 9.1 | 119.1 | |||||
| 45 | P | 52.8 | Low | 31.2 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | cis | -139.2 | -148 | -14.6 | 39.5 | -17.7 | 0 | 0 | 0 | 113.5 | ||||
| 46 | A | 29.5 | Very low | 31.3 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | 94.6 | 134.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 47 | D | 29.5 | Very low | 31.6 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | cis | -154.6 | 174.3 | -18.9 | -153.1 | 11.4 | 0 | 0 | 0 | 112.4 | ||||
| 48 | D | 30.2 | Very low | 31.5 | Very low | 151 Ų | 151 | 141.4 Ų | 141.4 | 81% | 0.807 | 76% | 0.756 | S | S | * | * | trans | -66.5 | 160.8 | -171.6 | -76.1 | -37.2 | 0 | 0 | 0 | 117.1 | ||||
| 49 | G | 31.2 | Very low | 31.8 | Very low | 83 Ų | 83 | 139.2 Ų | 139.2 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -152 | 32.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 50 | D | 33.6 | Very low | 31.6 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | -62 | 162.7 | 176 | -123.7 | -12.8 | 0 | 0 | 0 | 111 | ||||
| 51 | L | 37.6 | Very low | 31.7 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 53% | 0.529 | 77% | 0.77 | S | S | . | * | cis | -169.2 | 136.1 | 30.5 | -144.2 | 170.3 | 0 | 0 | 0 | 110.4 | K53 I54 | L51-K53 HydrophobicContact CD2-CG 4.29Å; L51-I54 HydrophobicContact CD2-CD1 3.81Å | ||
| 52 | Q | 33.4 | Very low | 30.7 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -156 | 84.8 | 138.4 | -123.8 | 174 | 99.5 | 0 | 0 | 115.7 | ||
| 53 | K | 33.2 | Very low | 30.7 | Very low | 170 Ų | 170 | 140.8 Ų | 140.8 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | 59.1 | 90.4 | 145.4 | -60.5 | 176.7 | -178.2 | 175.3 | 0 | 117 | L51 | L51-K53 HydrophobicContact CD2-CG 4.29Š| ||
| 54 | I | 30.3 | Very low | 30.6 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | 66.2 | 91.3 | 70.1 | -57.6 | 171.1 | 0 | 0 | 0 | 110.8 | L51 | L51-I54 HydrophobicContact CD2-CD1 3.81Š| |||
| 55 | S | 25.9 | Very low | 30.6 | Very low | 95 Ų | 95 | 136.7 Ų | 136.7 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | 90.6 | 158 | 89.8 | 96.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 56 | L | 28.1 | Very low | 29.7 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 82% | 0.817 | 78% | 0.778 | S | S | * | * | cis | -134.7 | 152.8 | 44.7 | -73.3 | 160.4 | 0 | 0 | 0 | 114.1 | ||||
| 57 | N | 31.9 | Very low | 29.6 | Very low | 158 Ų | 158 | 138 Ų | 138 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -87.7 | 143.4 | 149.1 | -85.3 | -77.9 | 0 | 0 | 0 | 108.8 | ||||
| 58 | L | 25.2 | Very low | 29.6 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -167.3 | 142.6 | 149.9 | -110.2 | 172.6 | 0 | 0 | 0 | 111 | ||||
| 59 | C | 30.5 | Very low | 29.7 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -125.4 | 113.5 | 169.1 | -64.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 60 | S | 25.9 | Very low | 29.9 | Very low | 122 Ų | 122 | 138 Ų | 138 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -174.5 | 166.8 | 155.8 | -86.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 61 | L | 28.2 | Very low | 29.6 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 94% | 0.937 | 77% | 0.772 | S | S | * | * | trans | -67.5 | 154.5 | -171.7 | -76.9 | 64.6 | 0 | 0 | 0 | 114.9 | ||||
| 62 | G | 24.7 | Very low | 29.2 | Very low | 82 Ų | 82 | 138.2 Ų | 138.2 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | trans | -166.6 | 128.1 | 159 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 63 | Y | 27.1 | Very low | 29.4 | Very low | 194 Ų | 194 | 134.9 Ų | 134.9 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | -125.4 | 129.5 | -175.9 | -173.9 | -72.9 | 0 | 0 | 0 | 109.4 | ||||
| 64 | L | 26.3 | Very low | 29.3 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | -152.3 | 132.6 | 156.1 | -87.6 | -170.4 | 0 | 0 | 0 | 111.6 | ||||
| 65 | D | 27.2 | Very low | 29.6 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | trans | -85.2 | -175.8 | 162.9 | -114 | -30.2 | 0 | 0 | 0 | 109.6 | ||||
| 66 | P | 35 | Very low | 29.7 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 66% | 0.656 | 79% | 0.79 | S | S | * | * | cis | -132.1 | -172.5 | -3.7 | 40.3 | -23.5 | 0 | 0 | 0 | 114.1 | ||||
| 67 | V | 27.6 | Very low | 29.7 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | -170.6 | 142.8 | 127.5 | 140.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 68 | D | 29.1 | Very low | 29.5 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | -79.6 | 169.3 | -168.5 | -46 | -99.6 | 0 | 0 | 0 | 116 | ||||
| 69 | P | 31.3 | Very low | 29.5 | Very low | 124 Ų | 124 | 126.2 Ų | 126.2 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | -114.2 | 157.9 | 117.5 | 33.9 | -34.5 | 0 | 0 | 0 | 113.2 | |||||
| 70 | P | 35.7 | Very low | 30.2 | Very low | 128 Ų | 128 | 126.5 Ų | 126.5 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -90.4 | 167.2 | -142.8 | 34.5 | -39 | 0 | 0 | 0 | 116.9 | ||||
| 71 | A | 28.3 | Very low | 30.3 | Very low | 82 Ų | 82 | 125 Ų | 125 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -93.9 | 168.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 72 | N | 29.2 | Very low | 30.3 | Very low | 156 Ų | 156 | 121.5 Ų | 121.5 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | 75.6 | 159.7 | 160.3 | -57.5 | -39.9 | 0 | 0 | 0 | 118.2 | ||||
| 73 | P | 36.9 | Very low | 30.5 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | cis | -119.6 | 161.4 | -7.1 | 39.5 | -27.4 | 0 | 0 | 0 | 114.2 | ||||
| 74 | S | 30.3 | Very low | 30.5 | Very low | 112 Ų | 112 | 120.2 Ų | 120.2 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -84.4 | 156.9 | 151.1 | 61.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 75 | P | 37.2 | Very low | 30.7 | Very low | 90 Ų | 90 | 121.8 Ų | 121.8 | 58% | 0.584 | 76% | 0.764 | S | S | * | * | -151.3 | 168.5 | 117.1 | 35.1 | -17.1 | 0 | 0 | 0 | 115.7 | |||||
| 76 | F | 27.2 | Very low | 30.8 | Very low | 202 Ų | 202 | 119.3 Ų | 119.3 | 89% | 0.886 | 77% | 0.766 | S | S | * | * | trans | 71.7 | 143.7 | 165.8 | -55.3 | -60.1 | 0 | 0 | 0 | 117.2 | ||||
| 77 | A | 29.1 | Very low | 30.4 | Very low | 83 Ų | 83 | 123.4 Ų | 123.4 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | cis | -149.8 | 156 | -2.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 78 | C | 27.4 | Very low | 30.4 | Very low | 130 Ų | 130 | 124.1 Ų | 124.1 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | trans | 53.6 | 139 | 147 | -63.5 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 79 | G | 25.1 | Very low | 30.5 | Very low | 71 Ų | 71 | 123.3 Ų | 123.3 | 73% | 0.732 | 77% | 0.773 | S | S | * | * | trans | -89.5 | -141 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 80 | P | 45.7 | Very low | 30.2 | Very low | 126 Ų | 126 | 122 Ų | 122 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | -135.4 | 172.2 | 29.9 | 42.9 | -26.9 | 0 | 0 | 0 | 117.4 | ||||
| 81 | A | 27.9 | Very low | 30.1 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 75% | 0.752 | 78% | 0.775 | S | S | * | * | trans | 33.1 | 147.7 | 139.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 82 | C | 27.2 | Very low | 30.4 | Very low | 104 Ų | 104 | 129.3 Ų | 129.3 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | cis | -168.8 | -178.5 | -4.4 | -110.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 83 | H | 29.7 | Very low | 30.6 | Very low | 181 Ų | 181 | 126.1 Ų | 126.1 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | cis | -130.3 | -153.4 | 5.8 | -107.9 | -51.6 | 0 | 0 | 0 | 108.7 | ||||
| 84 | G | 27.6 | Very low | 30.6 | Very low | 69 Ų | 69 | 126.6 Ų | 126.6 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | cis | 87.8 | 131.6 | 16.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 85 | Q | 30.3 | Very low | 30.4 | Very low | 206 Ų | 206 | 124.8 Ų | 124.8 | 96% | 0.963 | 78% | 0.78 | S | S | * | * | cis | -122.7 | 166.6 | 0.8 | -64.5 | 178.6 | -28.8 | 0 | 0 | 110.5 | ||||
| 86 | G | 28.1 | Very low | 29.9 | Very low | 66 Ų | 66 | 128.8 Ų | 128.8 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | cis | 171.2 | 154.2 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 87 | E | 28 | Very low | 29.9 | Very low | 187 Ų | 187 | 127.5 Ų | 127.5 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | 59.4 | 149.7 | 162.3 | -64 | -171.8 | 114.9 | 0 | 0 | 119.7 | ||||
| 88 | M | 27.4 | Very low | 29.8 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | cis | -152.9 | 160.1 | 12.4 | -143.4 | 172.3 | 67.2 | 0 | 0 | 113.3 | ||||
| 89 | V | 29.9 | Very low | 29.7 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 72% | 0.715 | 80% | 0.8 | S | S | * | * | trans | 66.9 | 101.4 | 162.1 | -165.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 90 | A | 26.5 | Very low | 29.7 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | trans | 35.9 | 137 | 132.4 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 91 | R | 32.7 | Very low | 28.8 | Very low | 235 Ų | 235 | 133 Ų | 133 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | -122.1 | 151.9 | 154.2 | -136.2 | 177.9 | -175.2 | -175.6 | 1 | 107.4 | ||||
| 92 | P | 34.7 | Very low | 28.6 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | -143.6 | -166.5 | 94.5 | 38.3 | -22 | 0 | 0 | 0 | 113.1 | |||||
| 93 | A | 34 | Very low | 28.4 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -111.6 | 160.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 94 | P | 35.4 | Very low | 28.2 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -101.5 | 160.4 | 146.5 | 36.4 | -28.4 | 0 | 0 | 0 | 110.6 | ||||
| 95 | G | 26.5 | Very low | 28.1 | Very low | 73 Ų | 73 | 139.3 Ų | 139.3 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | cis | 118.4 | 97.3 | 7.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 96 | L | 26.9 | Very low | 27.8 | Very low | 175 Ų | 175 | 135 Ų | 135 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -80 | 136.9 | 172.6 | -78.6 | 166.1 | 0 | 0 | 0 | 110.1 | ||||
| 97 | L | 28.4 | Very low | 27.7 | Very low | 174 Ų | 174 | 140 Ų | 140 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -136.9 | 146.5 | 164.1 | -80.9 | 177.6 | 0 | 0 | 0 | 110.3 | ||||
| 98 | V | 25.8 | Very low | 27.7 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -108.1 | 145.1 | 178.3 | 172.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 99 | S | 25.9 | Very low | 27.6 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -138.3 | 131.8 | 158.6 | 47.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 100 | L | 25.2 | Very low | 27.5 | Very low | 147 Ų | 147 | 141.6 Ų | 141.6 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -96.7 | 164.6 | 171.3 | -72.1 | 161.1 | 0 | 0 | 0 | 108.9 | ||||
| 101 | P | 26.3 | Very low | 27.5 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | -131.3 | -168.6 | 106.7 | 38 | -30.2 | 0 | 0 | 0 | 112.8 | |||||
| 102 | C | 23.6 | Very low | 27.2 | Very low | 100 Ų | 100 | 144.7 Ų | 144.7 | 68% | 0.676 | 80% | 0.801 | S | S | * | * | trans | -144.6 | 167.4 | -156.4 | -144.4 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 103 | F | 24.1 | Very low | 26.6 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 77% | 0.772 | 80% | 0.801 | S | S | * | * | trans | 55 | 123.1 | 163.1 | -78.8 | -73.8 | 0 | 0 | 0 | 121.7 | ||||
| 104 | S | 24.6 | Very low | 26 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | -147.7 | 175.5 | 103.9 | 57.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 105 | K | 25.9 | Very low | 25.4 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -151.1 | 162.9 | -162.8 | -163.2 | -179.4 | 178.7 | -175.9 | 0 | 112.1 | ||||
| 106 | C | 24.1 | Very low | 25.3 | Very low | 114 Ų | 114 | 148 Ų | 148 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 77.2 | 156.5 | 177.7 | -56.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 107 | Q | 25 | Very low | 25.5 | Very low | 171 Ų | 171 | 149 Ų | 149 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | cis | -135.4 | 165.2 | 8.9 | -164.8 | 164.1 | -12.1 | 0 | 0 | 112.1 | ||||
| 108 | R | 29.8 | Very low | 25.6 | Very low | 220 Ų | 220 | 147 Ų | 147 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -121.8 | 133.4 | 173.7 | 171.3 | -148.4 | -68.9 | 176.8 | -3.7 | 107.5 | ||||
| 109 | E | 24.9 | Very low | 25.6 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -155.3 | 165.9 | 154.1 | -135.8 | 113.1 | -116.2 | 0 | 0 | 111.6 | ||||
| 110 | S | 27.5 | Very low | 25.7 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 69% | 0.685 | 79% | 0.789 | S | S | * | * | trans | -159.7 | 139.8 | -179.5 | 55.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 111 | R | 25.9 | Very low | 25.8 | Very low | 228 Ų | 228 | 141.9 Ų | 141.9 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | 174.3 | 125.9 | 144.8 | -99 | 156 | -174.3 | -168 | -0.4 | 114.4 | ||||
| 112 | Q | 25.7 | Very low | 25.8 | Very low | 169 Ų | 169 | 142.1 Ų | 142.1 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | 55.5 | 138.1 | 125.3 | -80.6 | 173.4 | -26.4 | 0 | 0 | 124.2 | |||||
| 113 | V | 22.5 | Very low | 26 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | 96.6 | 131 | 145.3 | 170 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 114 | A | 21.8 | Very low | 26.2 | Very low | 79 Ų | 79 | 143.7 Ų | 143.7 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | trans | -54.1 | 157.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 115 | T | 23.9 | Very low | 26.3 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | -163.7 | -170.4 | 69 | 34.9 | 0 | 0 | 0 | 0 | 110 | |||||
| 116 | V | 22.7 | Very low | 26.2 | Very low | 133 Ų | 133 | 144 Ų | 144 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | cis | -152.8 | 175.3 | 17.2 | -142.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 117 | F | 31 | Very low | 27.1 | Very low | 195 Ų | 195 | 143.5 Ų | 143.5 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | trans | -90.7 | 166.9 | 160.8 | -74.6 | -91.1 | 0 | 0 | 0 | 111.8 | ||||
| 118 | P | 32 | Very low | 27.3 | Very low | 133 Ų | 133 | 142 Ų | 142 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | -133.6 | 158.1 | 92.1 | 37.7 | -27.3 | 0 | 0 | 0 | 111.2 | |||||
| 119 | G | 25.7 | Very low | 27.6 | Very low | 72 Ų | 72 | 137.2 Ų | 137.2 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | cis | 147.9 | 165.1 | 28.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 120 | A | 27.2 | Very low | 27.9 | Very low | 90 Ų | 90 | 136 Ų | 136 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | cis | -152.1 | -177.5 | -0.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 121 | T | 27 | Very low | 28.3 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | trans | 10.8 | 149.6 | 160 | 29.3 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 122 | D | 26.4 | Very low | 28.3 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | cis | -152.5 | -179.7 | 25.1 | -141 | -27.9 | 0 | 0 | 0 | 114.8 | ||||
| 123 | M | 27.7 | Very low | 28.5 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | trans | -79.5 | 175.6 | -169.3 | -62.1 | -170.7 | -75.3 | 0 | 0 | 116.9 | ||||
| 124 | F | 28.9 | Very low | 28.9 | Very low | 173 Ų | 173 | 134.3 Ų | 134.3 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 106.4 | 139.1 | 143.4 | -70 | -60.3 | 0 | 0 | 0 | 122 | ||||
| 125 | L | 27.7 | Very low | 29.1 | Very low | 161 Ų | 161 | 140.1 Ų | 140.1 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | 97.7 | 151.4 | 141.3 | -81.1 | 161.3 | 0 | 0 | 0 | 123.2 | ||||
| 126 | I | 23.9 | Very low | 29.2 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -145.8 | 155.2 | -167.6 | -58.5 | 166.9 | 0 | 0 | 0 | 103.9 | ||||
| 127 | P | 41.9 | Very low | 29.5 | Very low | 103 Ų | 103 | 140.3 Ų | 140.3 | 67% | 0.669 | 78% | 0.78 | S | S | * | * | cis | -127.9 | -169.6 | -28.4 | 37.7 | -20.1 | 0 | 0 | 0 | 112.9 | ||||
| 128 | L | 29.2 | Very low | 29.5 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | trans | 61.1 | 178.4 | 150.3 | -109.2 | 74.5 | 0 | 0 | 0 | 118.6 | E130 | L128-E130 HydrophobicContact CD2-CG 4.32Š| ||
| 129 | P | 36 | Very low | 29.4 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | -133.1 | 159 | 105.4 | 39 | -31.1 | 0 | 0 | 0 | 114.9 | |||||
| 130 | E | 30.7 | Very low | 29.5 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 69% | 0.687 | 78% | 0.783 | S | S | * | * | trans | -82 | -165.9 | 168 | -60 | 151.7 | 123.4 | 0 | 0 | 109.1 | L128 | L128-E130 HydrophobicContact CD2-CG 4.32Š| ||
| 131 | H | 36.3 | Very low | 29.5 | Very low | 148 Ų | 148 | 144.6 Ų | 144.6 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | cis | -168.1 | 165 | 23 | -126.6 | -38.9 | 0 | 0 | 0 | 109.8 | ||||
| 132 | N | 26.9 | Very low | 29.5 | Very low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | 154.4 | 142 | 136.2 | -80.2 | -20.1 | 0 | 0 | 0 | 110.8 | ||||
| 133 | S | 30.1 | Very low | 29.6 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | cis | -165.1 | 154.6 | -16.7 | 46.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 134 | Q | 29.6 | Very low | 29.4 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -85.2 | 148.9 | 175.7 | -62.8 | 171.6 | -68 | 0 | 0 | 112.1 | ||||
| 135 | E | 27.1 | Very low | 29.4 | Very low | 201 Ų | 201 | 146.9 Ų | 146.9 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | -138.1 | 163.5 | 141.4 | -77 | -160.5 | 152.5 | 0 | 0 | 108.8 | ||||
| 136 | A | 25.4 | Very low | 30.6 | Very low | 96 Ų | 96 | 144.1 Ų | 144.1 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -146.7 | 160 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 137 | L | 28 | Very low | 30.8 | Very low | 174 Ų | 174 | 145.1 Ų | 145.1 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -168.5 | 173 | 149 | -107.1 | 166.2 | 0 | 0 | 0 | 111.8 | ||||
| 138 | L | 30.9 | Very low | 30.2 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | -117.3 | 151.5 | -163.2 | -66 | 154.6 | 0 | 0 | 0 | 112.5 | ||||
| 139 | L | 30.8 | Very low | 30.2 | Very low | 161 Ų | 161 | 142.5 Ų | 142.5 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | 159.9 | 138.8 | 117.1 | -86.5 | 171.4 | 0 | 0 | 0 | 115.4 | |||||
| 140 | H | 28.6 | Very low | 30.8 | Very low | 196 Ų | 196 | 142.8 Ų | 142.8 | 91% | 0.907 | 80% | 0.804 | S | S | * | * | trans | 55.7 | 133 | 145.2 | -116.9 | 56.4 | 0 | 0 | 0 | 122.9 | ||||
| 141 | G | 25.6 | Very low | 30.8 | Very low | 75 Ų | 75 | 143.9 Ų | 143.9 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | 163.8 | 137.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 142 | Q | 28.2 | Very low | 30.6 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 93% | 0.925 | 82% | 0.819 | S | S | * | * | trans | -120.3 | 165.7 | 177.1 | -69.1 | 179.3 | -62.3 | 0 | 0 | 111.6 | ||||
| 143 | S | 27.1 | Very low | 30.7 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | 94.8 | 102.9 | 144.4 | -165 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 144 | V | 25.3 | Very low | 30.8 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 84% | 0.842 | 82% | 0.822 | S | S | * | * | 81.2 | 146.6 | 129.9 | 175.2 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 145 | Q | 28.1 | Very low | 30.7 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -75.6 | 179.3 | 176.3 | -109.4 | -173.8 | -46.7 | 0 | 0 | 113.3 | ||||
| 146 | P | 52.2 | Low | 30.9 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | cis | -124.5 | -138.4 | 3.8 | 29.1 | -2.4 | 0 | 0 | 0 | 111.4 | ||||
| 147 | E | 28.6 | Very low | 30.9 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | cis | -158.9 | -149.1 | 7.2 | -146.4 | -155.4 | -89.6 | 0 | 0 | 114.3 | ||||
| 148 | C | 29.5 | Very low | 30.9 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 77% | 0.77 | 80% | 0.803 | S | S | * | * | trans | -72.4 | 155.1 | -164 | -64.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 149 | G | 30 | Very low | 30.7 | Very low | 73 Ų | 73 | 132.7 Ų | 132.7 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | 163.7 | 124.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 150 | P | 48.6 | Very low | 30.6 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -107.8 | 163 | -161.5 | 40 | -36.7 | 0 | 0 | 0 | 117.9 | ||||
| 151 | D | 30.4 | Very low | 30.5 | Very low | 170 Ų | 170 | 129.6 Ų | 129.6 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | 73.3 | 136.1 | 152.2 | -105.4 | -34.5 | 0 | 0 | 0 | 122 | ||||
| 152 | G | 31.9 | Very low | 30.8 | Very low | 76 Ų | 76 | 135.1 Ų | 135.1 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 152.8 | 47.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 153 | G | 29.3 | Very low | 31.5 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -85.6 | 135.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 154 | D | 31.1 | Very low | 31.4 | Very low | 158 Ų | 158 | 131 Ų | 131 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -154.5 | 163.8 | 167 | -147.1 | -21.3 | 0 | 0 | 0 | 110 | ||||
| 155 | V | 28 | Very low | 31.4 | Very low | 114 Ų | 114 | 130.9 Ų | 130.9 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | trans | 73.8 | 105.4 | 173.8 | -170.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 156 | L | 31.5 | Very low | 31.4 | Very low | 150 Ų | 150 | 127.8 Ų | 127.8 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 36.4 | 131.5 | 138.2 | -52.6 | 174 | 0 | 0 | 0 | 122.1 | ||||
| 157 | H | 24.7 | Very low | 30.8 | Very low | 195 Ų | 195 | 129 Ų | 129 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | -166.8 | -175.4 | 111.4 | -107 | -73.8 | 0 | 0 | 0 | 112.3 | |||||
| 158 | S | 28.9 | Very low | 30.8 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -110.5 | 178.7 | -163.5 | -169.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 159 | S | 26.1 | Very low | 30.8 | Very low | 107 Ų | 107 | 130.5 Ų | 130.5 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 101.8 | 148.9 | 174.2 | -48.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 160 | L | 28.6 | Very low | 30.9 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 78% | 0.78 | 78% | 0.779 | S | S | * | * | cis | -176.7 | 168.1 | -26.6 | -112.8 | 164.6 | 0 | 0 | 0 | 109.3 | ||||
| 161 | I | 26.2 | Very low | 29.9 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 73% | 0.728 | 78% | 0.784 | S | S | * | * | trans | 81.8 | 118.2 | 156.9 | -65.8 | 150.6 | 0 | 0 | 0 | 121.2 | ||||
| 162 | F | 33.3 | Very low | 29.7 | Very low | 191 Ų | 191 | 129.5 Ų | 129.5 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | 14.5 | 165.2 | 137.2 | -67.1 | -77.2 | 0 | 0 | 0 | 123.6 | ||||
| 163 | P | 42.1 | Very low | 29.5 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | cis | -123.1 | -162.2 | 16.5 | 37.6 | -16 | 0 | 0 | 0 | 113.7 | ||||
| 164 | S | 24.5 | Very low | 29.5 | Very low | 99 Ų | 99 | 141.3 Ų | 141.3 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | cis | -167.6 | 140.9 | 23.2 | -169.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 165 | V | 25.7 | Very low | 29.3 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | 60.6 | 140.7 | 147.6 | 172.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 166 | C | 28.1 | Very low | 29.4 | Very low | 111 Ų | 111 | 138.5 Ų | 138.5 | 75% | 0.75 | 79% | 0.789 | S | S | * | * | trans | -97 | 180 | 177.6 | -50.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 167 | P | 38.8 | Very low | 29.4 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | -142.3 | 163.5 | 96.9 | 38 | -24.4 | 0 | 0 | 0 | 116.5 | |||||
| 168 | S | 29.2 | Very low | 29.5 | Very low | 92 Ų | 92 | 138.1 Ų | 138.1 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | trans | -75.8 | 168 | 170.9 | -49.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 169 | Y | 28.7 | Very low | 29.8 | Very low | 220 Ų | 220 | 139.9 Ų | 139.9 | 86% | 0.863 | 79% | 0.789 | S | S | * | * | cis | -165.1 | 174.2 | 45.2 | -78.8 | -92.8 | 0 | 0 | 0 | 109 | ||||
| 170 | S | 33.3 | Very low | 29.8 | Very low | 88 Ų | 88 | 140.6 Ų | 140.6 | 62% | 0.615 | 79% | 0.789 | S | S | * | * | cis | -177.9 | 166.4 | -27.7 | 61.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 171 | H | 28.1 | Very low | 29.8 | Very low | 197 Ų | 197 | 137.9 Ų | 137.9 | 91% | 0.912 | 78% | 0.783 | S | S | * | * | trans | 65.1 | 146.4 | -176.3 | -75.1 | -101.8 | 0 | 0 | 0 | 115.4 | ||||
| 172 | G | 26.4 | Very low | 30 | Very low | 62 Ų | 62 | 139.6 Ų | 139.6 | 64% | 0.639 | 79% | 0.79 | S | S | * | * | cis | -178.8 | -174.2 | -4.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 173 | E | 26.4 | Very low | 29.9 | Very low | 202 Ų | 202 | 140.5 Ų | 140.5 | 94% | 0.944 | 79% | 0.789 | S | S | * | * | trans | 72.3 | 164.5 | 174.9 | -55.2 | -163.8 | 132.9 | 0 | 0 | 118 | ||||
| 174 | Q | 28.7 | Very low | 29.1 | Very low | 198 Ų | 198 | 139.7 Ų | 139.7 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -118.7 | 149.4 | -147.7 | -65.5 | 169.4 | -22.6 | 0 | 0 | 113.4 | ||||
| 175 | A | 27.3 | Very low | 29.2 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -120.9 | 112.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 176 | S | 30.9 | Very low | 29.3 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -88 | 115.6 | 170.8 | 45.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 177 | Q | 31.9 | Very low | 29.4 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | trans | -93.1 | 129 | 177.9 | -63.9 | -178 | 1.7 | 0 | 0 | 110.4 | L179 | Q177-L179 PolarHBondContact O-N 3.08Š| ||
| 178 | N | 27.2 | Very low | 28.7 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -85.3 | 112.6 | 175.9 | -84.2 | -57.8 | 0 | 0 | 0 | 111.6 | ||||
| 179 | L | 33.4 | Very low | 28.8 | Very low | 144 Ų | 144 | 149 Ų | 149 | 75% | 0.754 | 80% | 0.802 | S | S | * | * | trans | -151.3 | 137 | 173.6 | -94.5 | 168.3 | 0 | 0 | 0 | 104.2 | Q177 | Q177-L179 PolarHBondContact O-N 3.08Š| ||
| 180 | T | 26.3 | Very low | 28.8 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | cis | -160.9 | 158.3 | 38.6 | -89.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 181 | S | 29.5 | Very low | 28.7 | Very low | 93 Ų | 93 | 151 Ų | 151 | 65% | 0.65 | 80% | 0.804 | S | S | * | * | trans | -76.3 | 144.2 | 167.5 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 182 | M | 30.2 | Very low | 28.8 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -173.4 | 164.3 | 136.4 | -102.9 | -62.4 | -124.4 | 0 | 0 | 113.2 | ||||
| 183 | Y | 30.3 | Very low | 29.2 | Very low | 211 Ų | 211 | 152.8 Ų | 152.8 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -97.3 | 144.8 | -176.4 | -67.9 | -100.9 | 0 | 0 | 0 | 113 | ||||
| 184 | A | 25.5 | Very low | 29.5 | Very low | 102 Ų | 102 | 151.6 Ų | 151.6 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -117 | 150.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 185 | T | 27.5 | Very low | 29.7 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | trans | -107.7 | 131.5 | -161.4 | -57.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 186 | Q | 27.5 | Very low | 30.1 | Very low | 172 Ų | 172 | 154.6 Ų | 154.6 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -73 | 134.5 | 176.8 | -77.5 | -76.9 | -20.4 | 0 | 0 | 112.5 | ||||
| 187 | P | 30.8 | Very low | 30.1 | Very low | 110 Ų | 110 | 157.1 Ų | 157.1 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | trans | -76.5 | 141.2 | 177.7 | 31.3 | -34.5 | 0 | 0 | 0 | 112.3 | ||||
| 188 | K | 24 | Very low | 30 | Very low | 192 Ų | 192 | 155.2 Ų | 155.2 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -99.5 | 97.2 | -173.6 | -171.4 | 179.6 | -177.8 | -178.6 | 0 | 111.6 | ||||
| 189 | M | 30.2 | Very low | 30.4 | Very low | 152 Ų | 152 | 152.3 Ų | 152.3 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -67.9 | 131 | 174.9 | -72.2 | -65.4 | -74.6 | 0 | 0 | 111.8 | Y191 | M189-Y191 HydrophobicContact CE-CE2 4.31Š| ||
| 190 | M | 29 | Very low | 30.6 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -94.6 | 133.6 | 171.1 | -69.9 | -80.6 | -70.5 | 0 | 0 | 109.4 | ||||
| 191 | Y | 30.9 | Very low | 31.1 | Very low | 198 Ų | 198 | 151.3 Ų | 151.3 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -136.7 | 117.8 | 166.3 | -95.3 | -82.7 | 0 | 0 | 0 | 108.7 | M189 | M189-Y191 HydrophobicContact CE-CE2 4.31Š| ||
| 192 | E | 30.8 | Very low | 31.2 | Very low | 163 Ų | 163 | 153.6 Ų | 153.6 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | -148.9 | 143.6 | 171.5 | -165.4 | 157.4 | -137.7 | 0 | 0 | 111.1 | ||||
| 193 | E | 34.3 | Very low | 31.2 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 62% | 0.621 | 80% | 0.802 | S | S | * | * | trans | 59.3 | 88.3 | 164.6 | -165.8 | 149.1 | -109.3 | 0 | 0 | 120 | K196 | E193-K196 WeakPolarHBondContact OE1-CD 3.24Å; E193-K196 VanDerWaalsContact OE1-CE 3.31Å; E193-K196 WeakPolarHBondContact OE1-CE 3.42Å; E193-K196 IonicContact OE1-NZ 2.62Å; E193-K196 PolarHBondContact OE1-NZ 3.33Å | ||
| 194 | L | 33 | Very low | 31.3 | Very low | 176 Ų | 176 | 144 Ų | 144 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -144.8 | 49.2 | 150.7 | -159.3 | 83.5 | 0 | 0 | 0 | 114 | ||||
| 195 | E | 32.7 | Very low | 31.7 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -151.1 | 69.6 | 175.9 | -147 | 172 | -118.3 | 0 | 0 | 114.5 | ||||
| 196 | K | 35.6 | Very low | 31.8 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | trans | -141.1 | 39.6 | 177.6 | -71 | -176.4 | -176 | 156.6 | 0 | 115 | E193 | E193-K196 WeakPolarHBondContact OE1-CD 3.24Å; E193-K196 VanDerWaalsContact OE1-CE 3.31Å; E193-K196 WeakPolarHBondContact OE1-CE 3.42Å; E193-K196 IonicContact OE1-NZ 2.62Å; E193-K196 PolarHBondContact OE1-NZ 3.33Å | ||
| 197 | L | 31.5 | Very low | 32.2 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -138.6 | 83.9 | 174.6 | -75.6 | 179.4 | 0 | 0 | 0 | 114.2 | ||||
| 198 | C | 29.6 | Very low | 32.1 | Very low | 127 Ų | 127 | 151.9 Ų | 151.9 | 86% | 0.858 | 79% | 0.788 | S | S | * | * | trans | -160.4 | 139.6 | 147 | -131.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 199 | P | 36.7 | Very low | 32.4 | Very low | 109 Ų | 109 | 146.5 Ų | 146.5 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 155.2 | -175.1 | 34.8 | -35.2 | 0 | 0 | 0 | 113.5 | ||
| 200 | P | 37.6 | Very low | 32.9 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 145.9 | 170.2 | 32.1 | -34.5 | 0 | 0 | 0 | 111.5 | T202 | P200-T202 PolarHBondContact O-N 2.6Š|
| 201 | P | 35 | Very low | 32.9 | Very low | 131 Ų | 131 | 143 Ų | 143 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 120.8 | 178.5 | 28.4 | -34 | 0 | 0 | 0 | 111.8 | A203 | P201-A203 PolarHBondContact O-N 2.74Š|
| 202 | T | 32.2 | Very low | 33.5 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | trans | -78.7 | 108.2 | 172.5 | 46.1 | 0 | 0 | 0 | 0 | 111.5 | P200 | P200-T202 PolarHBondContact O-N 2.6Š| ||
| 203 | A | 31.5 | Very low | 33.7 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -102 | 130.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | P201 | P201-A203 PolarHBondContact O-N 2.74Š| ||
| 204 | A | 32.1 | Very low | 33.8 | Very low | 83 Ų | 83 | 142.5 Ų | 142.5 | 69% | 0.686 | 81% | 0.813 | S | S | * | * | trans | -143.4 | 135.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 205 | L | 32.4 | Very low | 34.2 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | trans | 65.7 | 152.7 | 174.3 | -79.1 | 67.8 | 0 | 0 | 0 | 113.7 | ||||
| 206 | R | 31.2 | Very low | 34.8 | Very low | 202 Ų | 202 | 140.5 Ų | 140.5 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | cis | -154.4 | 162.4 | 7.4 | -117.2 | 177.8 | -153 | -121.4 | 16.7 | 106.8 | ||||
| 207 | Q | 34.2 | Very low | 35.2 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 62% | 0.621 | 82% | 0.819 | S | S | * | * | cis | -152.6 | -61.4 | -6.7 | -153.3 | 178 | -82.3 | 0 | 0 | 113.9 | ||||
| 208 | F | 29.8 | Very low | 35.9 | Very low | 196 Ų | 196 | 143 Ų | 143 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -160.3 | 160.6 | -172.9 | -80.3 | -80.6 | 0 | 0 | 0 | 111.5 | ||||
| 209 | G | 29.5 | Very low | 36.6 | Very low | 79 Ų | 79 | 145.5 Ų | 145.5 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | 158.5 | 111.6 | 160.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 210 | T | 40.5 | Very low | 37.2 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 96% | 0.957 | 82% | 0.817 | S | S | * | * | trans | -85.5 | 128.5 | 169.5 | 39.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 211 | G | 29.8 | Very low | 37.9 | Very low | 77 Ų | 77 | 149.7 Ų | 149.7 | 79% | 0.794 | 82% | 0.818 | S | S | * | * | trans | -166.2 | 135.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 212 | F | 43.6 | Very low | 39.1 | Very low | 214 Ų | 214 | 148.2 Ų | 148.2 | 94% | 0.939 | 80% | 0.803 | S | S | * | * | trans | -75.3 | 144.8 | 163 | -103.2 | -114.7 | 0 | 0 | 0 | 109.3 | ||||
| 213 | V | 35.3 | Very low | 40.8 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 175.5 | 139.4 | 137.7 | 144.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 214 | N | 35.2 | Very low | 42.6 | Very low | 140 Ų | 140 | 147.5 Ų | 147.5 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | trans | 32.8 | 127.1 | 161.7 | -61.4 | 3 | 0 | 0 | 0 | 122.7 | ||||
| 215 | P | 43.1 | Very low | 44.6 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -100.7 | 60.8 | 173.2 | 40.8 | -34.8 | 0 | 0 | 0 | 114.1 | ||||
| 216 | E | 44 | Very low | 46.7 | Very low | 184 Ų | 184 | 145.5 Ų | 145.5 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -127.1 | 68.4 | 174.5 | -74.4 | -166 | 171.9 | 0 | 0 | 113.4 | ||||
| 217 | R | 45.4 | Very low | 49 | Very low | 240 Ų | 240 | 138 Ų | 138 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | trans | -170.8 | 96.1 | 156.1 | -117.9 | 177.1 | 173.7 | -175.1 | -2.1 | 110.9 | ||||
| 218 | L | 44.6 | Very low | 51.3 | Low | 159 Ų | 159 | 134 Ų | 134 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | trans | -145.6 | 28.8 | -179.8 | -150.8 | 80.1 | 0 | 0 | 0 | 115.6 | ||||
| 219 | E | 45.5 | Very low | 53.9 | Low | 179 Ų | 179 | 129.7 Ų | 129.7 | 84% | 0.836 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -104.7 | -13.8 | -176.8 | -62.6 | -169.4 | 134.7 | 0 | 0 | 114.7 | R221 | E219-R221 PolarHBondContact O-N 3.32Š|
| 220 | S | 49.6 | Very low | 56.6 | Low | 112 Ų | 112 | 130.2 Ų | 130.2 | 78% | 0.783 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 8.5 | -172.9 | 57.5 | 0 | 0 | 0 | 0 | 116 | ||
| 221 | R | 52.3 | Low | 58.7 | Low | 199 Ų | 199 | 128 Ų | 128 | 75% | 0.751 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -17.5 | -177.3 | -168 | 166.9 | 179.1 | 167.9 | 1.3 | 114.5 | E219 | E219-R221 PolarHBondContact O-N 3.32Š|
| 222 | N | 59.6 | Low | 61.5 | Low | 100 Ų | 100 | 130.1 Ų | 130.1 | 54% | 0.535 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -71.1 | -36.1 | -171.7 | -59.7 | -16.7 | 0 | 0 | 0 | 116.7 | L224 E225 N226 | N222-L224 PolarHBondContact O-N 2.73Å; N222-E225 PolarHBondContact O-N 2.92Å; N222-N226 PolarHBondContact O-N 3.42Å; N222-N226 VanDerWaalsContact O-N 3.08Å |
| 223 | P | 66.6 | Low | 63.6 | Low | 88 Ų | 88 | 123.2 Ų | 123.2 | 57% | 0.571 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.2 | -35.8 | -169.5 | 26 | -33.6 | 0 | 0 | 0 | 113.1 | N226 A227 | P223-N226 PolarHBondContact O-N 3.48Å; P223-A227 WeakPolarHBondContact O-CB 3.22Å; P223-A227 PolarHBondContact O-N 3.29Å |
| 224 | L | 69.8 | Low | 66.2 | Low | 143 Ų | 143 | 122.9 Ų | 122.9 | 75% | 0.749 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.8 | -35.7 | 178 | -175.3 | 64.5 | 0 | 0 | 0 | 112 | N222 A228 | N222-L224 PolarHBondContact O-N 2.73Å; L224-A228 WeakPolarHBondContact O-CB 3.11Å; L224-A228 PolarHBondContact O-N 2.91Å |
| 225 | E | 74.3 | Confident | 68.8 | Low | 101 Ų | 101 | 121.9 Ų | 121.9 | 47% | 0.472 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -72.9 | -36.5 | 177.6 | -161.7 | -175.4 | 119.3 | 0 | 0 | 111.6 | N222 A228 K229 | N222-E225 PolarHBondContact O-N 2.92Å; E225-A228 PolarHBondContact O-N 3.38Å; E225-K229 VanDerWaalsContact O-CG 3.31Å; E225-K229 WeakPolarHBondContact O-CG 3.39Å; E225-K229 PolarHBondContact O-N 3.48Å; E225-K229 VanDerWaalsContact OE1-CE 3.28Å; E225-K229 WeakPolarHBondContact OE1-CE 3.37Å; E225-K229 IonicContact OE1-NZ 2.65Å; E225-K229 PolarHBondContact OE1-NZ 3.25Å |
| 226 | N | 76.5 | Confident | 70.9 | Confident | 93 Ų | 93 | 118.1 Ų | 118.1 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.4 | -44.4 | 174.6 | -69.8 | -6.9 | 0 | 0 | 0 | 111.5 | N222 P223 A228 K229 E230 | N222-N226 PolarHBondContact O-N 3.42Å; N222-N226 VanDerWaalsContact O-N 3.08Å; P223-N226 PolarHBondContact O-N 3.48Å; N226-A228 VanDerWaalsContact C-N 3.31Å; N226-A228 PolarHBondContact O-N 2.99Å; N226-K229 PolarHBondContact O-N 2.87Å; N226-E230 PolarHBondContact O-N 3.36Å |
| 227 | A | 80.3 | Confident | 73.1 | Confident | 43 Ų | 43 | 113.9 Ų | 113.9 | 36% | 0.355 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.6 | -40.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | P223 E230 Q231 | P223-A227 WeakPolarHBondContact O-CB 3.22Å; P223-A227 PolarHBondContact O-N 3.29Å; A227-E230 PolarHBondContact O-N 3.04Å; A227-Q231 WeakPolarHBondContact O-CG 3.49Å; A227-Q231 PolarHBondContact O-N 2.92Å |
| 228 | A | 81.7 | Confident | 75.3 | Confident | 50 Ų | 50 | 107.4 Ų | 107.4 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.9 | -41.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L224 E225 N226 E230 Q231 L232 | L224-A228 WeakPolarHBondContact O-CB 3.11Å; L224-A228 PolarHBondContact O-N 2.91Å; E225-A228 PolarHBondContact O-N 3.38Å; N226-A228 VanDerWaalsContact C-N 3.31Å; N226-A228 PolarHBondContact O-N 2.99Å; A228-E230 VanDerWaalsContact C-N 3.33Å; A228-Q231 PolarHBondContact O-N 3.45Å; A228-L232 WeakPolarHBondContact O-CG 3.28Å; A228-L232 PolarHBondContact O-N 3.02Å |
| 229 | K | 83.8 | Confident | 77.5 | Confident | 106 Ų | 106 | 105.3 Ų | 105.3 | 46% | 0.461 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.8 | -39.4 | 173.7 | -71.1 | 162.7 | -172.3 | 160.5 | 0 | 111.9 | E225 N226 L232 S233 | E225-K229 VanDerWaalsContact O-CG 3.31Å; E225-K229 WeakPolarHBondContact O-CG 3.39Å; E225-K229 PolarHBondContact O-N 3.48Å; E225-K229 VanDerWaalsContact OE1-CE 3.28Å; E225-K229 WeakPolarHBondContact OE1-CE 3.37Å; E225-K229 IonicContact OE1-NZ 2.65Å; E225-K229 PolarHBondContact OE1-NZ 3.25Å; N226-K229 PolarHBondContact O-N 2.87Å; K229-L232 PolarHBondContact O-N 3.15Å; K229-S233 PolarHBondContact O-N 3.15Å; K229-S233 PolarHBondContact O-OG 3.04Å |
| 230 | E | 86.5 | Confident | 79.6 | Confident | 89 Ų | 89 | 98.1 Ų | 98.1 | 42% | 0.416 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 177.8 | -162.1 | -166.2 | 169 | 0 | 0 | 112.6 | N226 A227 A228 L232 S233 R234 | N226-E230 PolarHBondContact O-N 3.36Å; A227-E230 PolarHBondContact O-N 3.04Å; A228-E230 VanDerWaalsContact C-N 3.33Å; E230-L232 VanDerWaalsContact C-N 3.3Å; E230-L232 PolarHBondContact O-N 3.13Å; E230-S233 PolarHBondContact O-N 2.87Å; E230-S233 PolarHBondContact O-OG 3.44Å; E230-R234 WeakPolarHBondContact O-CB 3.35Å; E230-R234 WeakPolarHBondContact O-CD 3.26Å; E230-R234 WeakPolarHBondContact O-CG 3.2Å; E230-R234 PolarHBondContact O-N 3.3Å; E230-R234 IonicContact OE1-CZ 2.65Å; E230-R234 VanDerWaalsContact OE1-CZ 3.27Å; E230-R234 IonicContact OE1-NE 3.46Å; E230-R234 PolarHBondContact OE1-NE 2.83Å; E230-R234 VanDerWaalsContact OE1-NE 3.13Å; E230-R234 IonicContact OE1-NH2 2.63Å; E230-R234 PolarHBondContact OE1-NH2 2.87Å |
| 231 | Q | 85.6 | Confident | 81.5 | Confident | 111 Ų | 111 | 99 Ų | 99 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -34.3 | 172.6 | -64.6 | -55.3 | -38.7 | 0 | 0 | 111.8 | A227 A228 H235 | A227-Q231 WeakPolarHBondContact O-CG 3.49Å; A227-Q231 PolarHBondContact O-N 2.92Å; A228-Q231 PolarHBondContact O-N 3.45Å; Q231-H235 VanDerWaalsContact O-CB 3.3Å; Q231-H235 WeakPolarHBondContact O-CB 3.42Å; Q231-H235 PolarHBondContact O-N 2.72Å |
| 232 | L | 88.5 | Confident | 83.3 | Confident | 121 Ų | 121 | 92.2 Ų | 92.2 | 63% | 0.634 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.4 | -39.9 | 174.7 | -71.9 | 169.6 | 0 | 0 | 0 | 112.7 | A228 K229 E230 H235 A236 | A228-L232 WeakPolarHBondContact O-CG 3.28Å; A228-L232 PolarHBondContact O-N 3.02Å; K229-L232 PolarHBondContact O-N 3.15Å; E230-L232 VanDerWaalsContact C-N 3.3Å; E230-L232 PolarHBondContact O-N 3.13Å; L232-H235 PolarHBondContact O-N 2.76Å; L232-A236 WeakPolarHBondContact O-CB 3.48Å; L232-A236 PolarHBondContact O-N 3.49Å |
| 233 | S | 86.9 | Confident | 84.6 | Confident | 69 Ų | 69 | 90.2 Ų | 90.2 | 48% | 0.483 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.3 | -44.6 | 174.9 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | K229 E230 H235 A236 E237 | K229-S233 PolarHBondContact O-N 3.15Å; K229-S233 PolarHBondContact O-OG 3.04Å; E230-S233 PolarHBondContact O-N 2.87Å; E230-S233 PolarHBondContact O-OG 3.44Å; S233-H235 VanDerWaalsContact C-N 3.28Å; S233-H235 PolarHBondContact O-N 3.25Å; S233-A236 PolarHBondContact O-N 3.1Å; S233-E237 WeakPolarHBondContact O-CB 3.36Å; S233-E237 PolarHBondContact O-N 3.02Å |
| 234 | R | 90.3 | Very high | 85.6 | Confident | 120 Ų | 120 | 90.5 Ų | 90.5 | 45% | 0.453 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57 | -40.1 | 172.3 | -70.1 | 166.6 | 179 | -137.4 | 5.7 | 111.9 | E230 E237 L238 | E230-R234 WeakPolarHBondContact O-CB 3.35Å; E230-R234 WeakPolarHBondContact O-CD 3.26Å; E230-R234 WeakPolarHBondContact O-CG 3.2Å; E230-R234 PolarHBondContact O-N 3.3Å; E230-R234 IonicContact OE1-CZ 2.65Å; E230-R234 VanDerWaalsContact OE1-CZ 3.27Å; E230-R234 IonicContact OE1-NE 3.46Å; E230-R234 PolarHBondContact OE1-NE 2.83Å; E230-R234 VanDerWaalsContact OE1-NE 3.13Å; E230-R234 IonicContact OE1-NH2 2.63Å; E230-R234 PolarHBondContact OE1-NH2 2.87Å; R234-E237 PolarHBondContact O-N 3.5Å; R234-L238 WeakPolarHBondContact O-CB 3.46Å; R234-L238 VanDerWaalsContact O-CG 3.3Å; R234-L238 WeakPolarHBondContact O-CG 3.49Å; R234-L238 PolarHBondContact O-N 3.03Å |
| 235 | H | 90.1 | Very high | 86.6 | Confident | 119 Ų | 119 | 89.4 Ų | 89.4 | 55% | 0.551 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.7 | -43.9 | 177.3 | -172.8 | 63.8 | 0 | 0 | 0 | 112.6 | Q231 L232 S233 E237 L238 Q239 | Q231-H235 VanDerWaalsContact O-CB 3.3Å; Q231-H235 WeakPolarHBondContact O-CB 3.42Å; Q231-H235 PolarHBondContact O-N 2.72Å; L232-H235 PolarHBondContact O-N 2.76Å; S233-H235 VanDerWaalsContact C-N 3.28Å; S233-H235 PolarHBondContact O-N 3.25Å; H235-E237 VanDerWaalsContact C-N 3.29Å; H235-E237 PolarHBondContact O-N 3.05Å; H235-L238 PolarHBondContact O-N 2.85Å; H235-Q239 WeakPolarHBondContact O-CB 3.45Å; H235-Q239 PolarHBondContact O-N 3.32Å |
| 236 | A | 87 | Confident | 87.5 | Confident | 55 Ų | 55 | 89.9 Ų | 89.9 | 46% | 0.455 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L232 S233 Q239 G240 | L232-A236 WeakPolarHBondContact O-CB 3.48Å; L232-A236 PolarHBondContact O-N 3.49Å; S233-A236 PolarHBondContact O-N 3.1Å; A236-Q239 PolarHBondContact O-N 3.1Å; A236-G240 PolarHBondContact O-N 2.82Å |
| 237 | E | 90.5 | Very high | 87.9 | Confident | 94 Ų | 94 | 93.3 Ų | 93.3 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.9 | -44.7 | 175.3 | -157.2 | -146.7 | 142.1 | 0 | 0 | 111.9 | S233 R234 H235 Q239 G240 R241 | S233-E237 WeakPolarHBondContact O-CB 3.36Å; S233-E237 PolarHBondContact O-N 3.02Å; R234-E237 PolarHBondContact O-N 3.5Å; H235-E237 VanDerWaalsContact C-N 3.29Å; H235-E237 PolarHBondContact O-N 3.05Å; E237-Q239 VanDerWaalsContact C-N 3.33Å; E237-Q239 PolarHBondContact O-N 2.95Å; E237-G240 PolarHBondContact O-N 3.16Å; E237-R241 WeakPolarHBondContact O-CG 3.16Å; E237-R241 PolarHBondContact O-N 3.42Å; E237-R241 IonicContact OE1-CZ 2.75Å; E237-R241 IonicContact OE1-NE 2.61Å; E237-R241 PolarHBondContact OE1-NE 3.39Å; E237-R241 IonicContact OE1-NH2 3.56Å; E237-R241 PolarHBondContact OE1-NH2 2.94Å |
| 238 | L | 92.3 | Very high | 88.3 | Confident | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 173.8 | -74.3 | 168.8 | 0 | 0 | 0 | 112.1 | R234 H235 R241 A242 | R234-L238 WeakPolarHBondContact O-CB 3.46Å; R234-L238 VanDerWaalsContact O-CG 3.3Å; R234-L238 WeakPolarHBondContact O-CG 3.49Å; R234-L238 PolarHBondContact O-N 3.03Å; H235-L238 PolarHBondContact O-N 2.85Å; L238-R241 PolarHBondContact O-N 2.72Å; L238-A242 WeakPolarHBondContact O-CB 3.49Å; L238-A242 PolarHBondContact O-N 2.78Å |
| 239 | Q | 90.4 | Very high | 88.8 | Confident | 114 Ų | 114 | 98.8 Ų | 98.8 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 173.2 | -169.3 | 179 | 23.7 | 0 | 0 | 111.1 | H235 A236 E237 A242 C243 | H235-Q239 WeakPolarHBondContact O-CB 3.45Å; H235-Q239 PolarHBondContact O-N 3.32Å; A236-Q239 PolarHBondContact O-N 3.1Å; E237-Q239 VanDerWaalsContact C-N 3.33Å; E237-Q239 PolarHBondContact O-N 2.95Å; Q239-A242 PolarHBondContact O-N 3.04Å; Q239-C243 WeakPolarHBondContact O-CB 3.42Å; Q239-C243 PolarHBondContact O-N 2.86Å; Q239-C243 PolarHBondContact O-SG 2.88Å |
| 240 | G | 89.6 | Confident | 88.9 | Confident | 28 Ų | 28 | 100 Ų | 100 | 29% | 0.289 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | A236 E237 A242 C243 R244 | A236-G240 PolarHBondContact O-N 2.82Å; E237-G240 PolarHBondContact O-N 3.16Å; G240-A242 PolarHBondContact O-N 2.93Å; G240-C243 PolarHBondContact O-N 2.96Å; G240-R244 PolarHBondContact O-N 3.1Å |
| 241 | R | 89.8 | Confident | 89 | Confident | 131 Ų | 131 | 96.7 Ų | 96.7 | 49% | 0.494 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.2 | -46.1 | 173.4 | -70.5 | 171.7 | -179.5 | -135.7 | 7 | 111.3 | E237 L238 R244 L245 | E237-R241 WeakPolarHBondContact O-CG 3.16Å; E237-R241 PolarHBondContact O-N 3.42Å; E237-R241 IonicContact OE1-CZ 2.75Å; E237-R241 IonicContact OE1-NE 2.61Å; E237-R241 PolarHBondContact OE1-NE 3.39Å; E237-R241 IonicContact OE1-NH2 3.56Å; E237-R241 PolarHBondContact OE1-NH2 2.94Å; L238-R241 PolarHBondContact O-N 2.72Å; R241-R244 PolarHBondContact O-N 3.17Å; R241-L245 WeakPolarHBondContact O-CG 3.43Å; R241-L245 PolarHBondContact O-N 2.9Å |
| 242 | A | 88.4 | Confident | 89.3 | Confident | 57 Ų | 57 | 95.7 Ų | 95.7 | 47% | 0.471 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L238 Q239 G240 R244 L245 Q246 | L238-A242 WeakPolarHBondContact O-CB 3.49Å; L238-A242 PolarHBondContact O-N 2.78Å; Q239-A242 PolarHBondContact O-N 3.04Å; G240-A242 PolarHBondContact O-N 2.93Å; A242-R244 VanDerWaalsContact C-N 3.34Å; A242-R244 PolarHBondContact O-N 2.81Å; A242-L245 PolarHBondContact O-N 2.76Å; A242-Q246 WeakPolarHBondContact O-CB 3.37Å; A242-Q246 PolarHBondContact O-N 3.04Å |
| 243 | C | 88.4 | Confident | 89.4 | Confident | 57 Ų | 57 | 95.3 Ų | 95.3 | 39% | 0.385 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.4 | -38.9 | 175.6 | -71.8 | 0 | 0 | 0 | 0 | 112.7 | Q239 G240 R247 | Q239-C243 WeakPolarHBondContact O-CB 3.42Å; Q239-C243 PolarHBondContact O-N 2.86Å; Q239-C243 PolarHBondContact O-SG 2.88Å; G240-C243 PolarHBondContact O-N 2.96Å; C243-R247 WeakPolarHBondContact O-CG 3.44Å; C243-R247 PolarHBondContact O-N 3Å; C243-R247 VanDerWaalsContact O-N 3.08Å |
| 244 | R | 86.6 | Confident | 89.5 | Confident | 95 Ų | 95 | 93.2 Ų | 93.2 | 36% | 0.358 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 173.9 | -77.2 | -168.8 | -72.5 | -108.3 | -1.7 | 112.5 | G240 R241 A242 Q246 R247 R248 E332 | G240-R244 PolarHBondContact O-N 3.1Å; R241-R244 PolarHBondContact O-N 3.17Å; A242-R244 VanDerWaalsContact C-N 3.34Å; A242-R244 PolarHBondContact O-N 2.81Å; R244-Q246 VanDerWaalsContact C-N 3.32Å; R244-Q246 PolarHBondContact O-N 3.39Å; R244-R247 PolarHBondContact O-N 3.39Å; R244-R248 PolarHBondContact O-N 2.98Å; R244-E332 VanDerWaalsContact CD-OE2 3.27Å; R244-E332 WeakPolarHBondContact CD-OE2 3.19Å; R244-E332 IonicContact CZ-OE2 2.63Å; R244-E332 IonicContact NE-OE2 3.69Å; R244-E332 IonicContact NH1-OE2 3.27Å; R244-E332 PolarHBondContact NH1-OE2 2.82Å |
| 245 | L | 91.6 | Very high | 89.3 | Confident | 120 Ų | 120 | 89.3 Ų | 89.3 | 63% | 0.628 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61 | -40.1 | 175.5 | -71.8 | 170.5 | 0 | 0 | 0 | 111.9 | R241 A242 R248 L249 | R241-L245 WeakPolarHBondContact O-CG 3.43Å; R241-L245 PolarHBondContact O-N 2.9Å; A242-L245 PolarHBondContact O-N 2.76Å; L245-R248 PolarHBondContact O-N 2.98Å; L245-L249 WeakPolarHBondContact O-CB 3.48Å; L245-L249 PolarHBondContact O-N 3.32Å |
| 246 | Q | 92.7 | Very high | 89.3 | Confident | 111 Ų | 111 | 89.9 Ų | 89.9 | 52% | 0.519 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 174.4 | -174.9 | -178.2 | -4.8 | 0 | 0 | 111.9 | A242 R244 L249 Q250 | A242-Q246 WeakPolarHBondContact O-CB 3.37Å; A242-Q246 PolarHBondContact O-N 3.04Å; R244-Q246 VanDerWaalsContact C-N 3.32Å; R244-Q246 PolarHBondContact O-N 3.39Å; Q246-L249 PolarHBondContact O-N 3.45Å; Q246-Q250 WeakPolarHBondContact O-CB 3.23Å; Q246-Q250 PolarHBondContact O-N 3.35Å |
| 247 | R | 85.3 | Confident | 89.4 | Confident | 164 Ų | 164 | 89.8 Ų | 89.8 | 62% | 0.619 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.1 | -43.8 | 175.6 | -71.6 | 177 | -175.1 | 177.7 | 1.9 | 112.1 | C243 R244 L249 Q250 A251 L329 | C243-R247 WeakPolarHBondContact O-CG 3.44Å; C243-R247 PolarHBondContact O-N 3Å; C243-R247 VanDerWaalsContact O-N 3.08Å; R244-R247 PolarHBondContact O-N 3.39Å; R247-L249 PolarHBondContact O-N 3.44Å; R247-Q250 PolarHBondContact O-N 3.39Å; R247-A251 PolarHBondContact O-N 3.48Å; R247-L329 HydrophobicContact CB-CD1 4.25Å |
| 248 | R | 87.9 | Confident | 89.5 | Confident | 101 Ų | 101 | 86.8 Ų | 86.8 | 38% | 0.381 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 176.2 | -169.9 | -179.6 | -168.7 | 129.7 | 15.4 | 111.6 | R244 L245 A251 L252 D330 | R244-R248 PolarHBondContact O-N 2.98Å; L245-R248 PolarHBondContact O-N 2.98Å; R248-A251 PolarHBondContact O-N 2.72Å; R248-L252 HydrophobicContact CG-CD1 4.29Å; R248-L252 WeakPolarHBondContact O-CG 3.31Å; R248-L252 PolarHBondContact O-N 2.92Å; R248-D330 IonicContact CZ-OD1 3.85Å; R248-D330 IonicContact CZ-OD2 3.13Å; R248-D330 IonicContact NH1-OD1 2.67Å; R248-D330 PolarHBondContact NH1-OD1 2.85Å; R248-D330 IonicContact NH2-OD1 3.66Å; R248-D330 PolarHBondContact NH2-OD1 3.27Å; R248-D330 IonicContact NH2-OD2 2.66Å; R248-D330 PolarHBondContact NH2-OD2 3.15Å; R248-D330 VanDerWaalsContact NH2-OD2 3.13Å |
| 249 | L | 93.1 | Very high | 89.3 | Confident | 108 Ų | 108 | 86.2 Ų | 86.2 | 57% | 0.565 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -64.2 | -39.8 | 175.9 | -177.9 | 143.4 | 0 | 0 | 0 | 111.8 | L245 Q246 R247 L252 L253 | L245-L249 WeakPolarHBondContact O-CB 3.48Å; L245-L249 PolarHBondContact O-N 3.32Å; Q246-L249 PolarHBondContact O-N 3.45Å; R247-L249 PolarHBondContact O-N 3.44Å; L249-L252 PolarHBondContact O-N 3.1Å; L249-L253 HydrophobicContact CD2-CD1 3.65Å; L249-L253 HydrophobicContact CD2-CG 4.35Å; L249-L253 WeakPolarHBondContact O-CG 3.5Å; L249-L253 PolarHBondContact O-N 3.02Å |
| 250 | Q | 86.5 | Confident | 89.2 | Confident | 131 Ų | 131 | 85 Ų | 85 | 61% | 0.612 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -64.8 | -39.2 | 174.8 | -172.8 | 174.6 | -5.2 | 0 | 0 | 112.4 | Q246 R247 L253 G254 | Q246-Q250 WeakPolarHBondContact O-CB 3.23Å; Q246-Q250 PolarHBondContact O-N 3.35Å; R247-Q250 PolarHBondContact O-N 3.39Å; Q250-L253 PolarHBondContact O-N 3Å; Q250-G254 PolarHBondContact O-N 3.33Å |
| 251 | A | 88.6 | Confident | 89 | Confident | 19 Ų | 19 | 86.3 Ų | 86.3 | 16% | 0.157 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.4 | -45.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | R247 R248 L253 G254 E255 L322 | R247-A251 PolarHBondContact O-N 3.48Å; R248-A251 PolarHBondContact O-N 2.72Å; A251-L253 VanDerWaalsContact C-N 3.35Å; A251-L253 PolarHBondContact O-N 3.05Å; A251-G254 CarbonylContact O-C 3.6Å; A251-G254 WeakPolarHBondContact O-CA 3.27Å; A251-G254 PolarHBondContact O-N 3.38Å; A251-G254 VanDerWaalsContact O-N 3.08Å; A251-E255 PolarHBondContact O-N 3.29Å; A251-L322 HydrophobicContact CB-CD2 4.26Å |
| 252 | L | 91.5 | Very high | 88.8 | Confident | 91 Ų | 91 | 82.6 Ų | 82.6 | 48% | 0.476 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 176.6 | -71 | 169.9 | 0 | 0 | 0 | 112.9 | R248 L249 E255 H256 | R248-L252 HydrophobicContact CG-CD1 4.29Å; R248-L252 WeakPolarHBondContact O-CG 3.31Å; R248-L252 PolarHBondContact O-N 2.92Å; L249-L252 PolarHBondContact O-N 3.1Å; L252-E255 PolarHBondContact O-N 2.9Å; L252-H256 WeakPolarHBondContact O-CB 3.36Å; L252-H256 PolarHBondContact O-N 2.89Å |
| 253 | L | 90.2 | Very high | 88.8 | Confident | 113 Ų | 113 | 85.9 Ų | 85.9 | 59% | 0.592 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.7 | -38.4 | 171.2 | -72.6 | 174.3 | 0 | 0 | 0 | 111.8 | L249 Q250 A251 H256 A257 | L249-L253 HydrophobicContact CD2-CD1 3.65Å; L249-L253 HydrophobicContact CD2-CG 4.35Å; L249-L253 WeakPolarHBondContact O-CG 3.5Å; L249-L253 PolarHBondContact O-N 3.02Å; Q250-L253 PolarHBondContact O-N 3Å; A251-L253 VanDerWaalsContact C-N 3.35Å; A251-L253 PolarHBondContact O-N 3.05Å; L253-H256 PolarHBondContact O-N 3.17Å; L253-A257 WeakPolarHBondContact O-CB 3.23Å; L253-A257 PolarHBondContact O-N 3.35Å |
| 254 | G | 88.1 | Confident | 88.7 | Confident | 25 Ų | 25 | 88.4 Ų | 88.4 | 26% | 0.258 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.1 | -47.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q250 A251 H256 A257 L258 | Q250-G254 PolarHBondContact O-N 3.33Å; A251-G254 CarbonylContact O-C 3.6Å; A251-G254 WeakPolarHBondContact O-CA 3.27Å; A251-G254 PolarHBondContact O-N 3.38Å; A251-G254 VanDerWaalsContact O-N 3.08Å; G254-H256 VanDerWaalsContact C-N 3.33Å; G254-H256 PolarHBondContact O-N 3.24Å; G254-A257 PolarHBondContact O-N 3.43Å; G254-L258 WeakPolarHBondContact O-CG 3.33Å; G254-L258 PolarHBondContact O-N 3.29Å |
| 255 | E | 87.5 | Confident | 88.5 | Confident | 37 Ų | 37 | 85.6 Ų | 85.6 | 17% | 0.173 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -59.4 | -43.7 | 175.2 | -75.3 | -160.6 | 178 | 0 | 0 | 112.3 | A251 L252 A257 L258 K259 L322 | A251-E255 PolarHBondContact O-N 3.29Å; L252-E255 PolarHBondContact O-N 2.9Å; E255-A257 VanDerWaalsContact C-N 3.32Å; E255-A257 PolarHBondContact O-N 3.33Å; E255-L258 PolarHBondContact O-N 2.81Å; E255-K259 WeakPolarHBondContact O-CB 3.38Å; E255-K259 WeakPolarHBondContact O-CD 3.33Å; E255-K259 VanDerWaalsContact O-CG 3.22Å; E255-K259 WeakPolarHBondContact O-CG 3.33Å; E255-K259 PolarHBondContact O-N 3Å; E255-K259 IonicContact OE2-NZ 3.81Å; E255-K259 PolarHBondContact OE2-NZ 2.9Å; E255-L322 HydrophobicContact CB-CD1 4.37Å; E255-L322 HydrophobicContact CG-CB 4.37Å; E255-L322 HydrophobicContact CG-CD1 3.78Å |
| 256 | H | 89.3 | Confident | 88.1 | Confident | 132 Ų | 132 | 84.7 Ų | 84.7 | 61% | 0.611 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -65.2 | -38.2 | 179.6 | -169.4 | -74.1 | 0 | 0 | 0 | 111.3 | L252 L253 G254 H260 | L252-H256 WeakPolarHBondContact O-CB 3.36Å; L252-H256 PolarHBondContact O-N 2.89Å; L253-H256 PolarHBondContact O-N 3.17Å; G254-H256 VanDerWaalsContact C-N 3.33Å; G254-H256 PolarHBondContact O-N 3.24Å; H256-H260 WeakPolarHBondContact O-CB 3.4Å; H256-H260 PolarHBondContact O-N 3.27Å |
| 257 | A | 89.7 | Confident | 87.5 | Confident | 52 Ų | 52 | 80.8 Ų | 80.8 | 43% | 0.43 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.2 | -46 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L253 G254 E255 H260 C261 | L253-A257 WeakPolarHBondContact O-CB 3.23Å; L253-A257 PolarHBondContact O-N 3.35Å; G254-A257 PolarHBondContact O-N 3.43Å; E255-A257 VanDerWaalsContact C-N 3.32Å; E255-A257 PolarHBondContact O-N 3.33Å; A257-H260 PolarHBondContact O-N 3.16Å; A257-C261 PolarHBondContact O-N 3.42Å; A257-C261 PolarHBondContact O-SG 3.49Å |
| 258 | L | 91.2 | Very high | 87.1 | Confident | 31 Ų | 31 | 77.1 Ų | 77.1 | 16% | 0.162 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.9 | -45 | 176.2 | -68 | 175.1 | 0 | 0 | 0 | 112.3 | G254 E255 H260 C261 S262 N318 L322 | G254-L258 WeakPolarHBondContact O-CG 3.33Å; G254-L258 PolarHBondContact O-N 3.29Å; E255-L258 PolarHBondContact O-N 2.81Å; L258-H260 VanDerWaalsContact C-N 3.29Å; L258-H260 PolarHBondContact O-N 3.36Å; L258-C261 PolarHBondContact O-N 2.95Å; L258-S262 PolarHBondContact O-N 3.43Å; L258-S262 PolarHBondContact O-OG 3.09Å; L258-N318 HydrophobicContact CD1-CB 3.62Å; L258-N318 HydrophobicContact CD2-CB 3.84Å; L258-N318 HydrophobicContact CG-CB 4.38Å; L258-L322 HydrophobicContact CD1-CD1 3.54Å |
| 259 | K | 89.1 | Confident | 86.6 | Confident | 94 Ų | 94 | 77.4 Ų | 77.4 | 41% | 0.409 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | 177.5 | -71.3 | 163.7 | -171.6 | 168.3 | 0 | 111.8 | E255 S262 Q263 | E255-K259 WeakPolarHBondContact O-CB 3.38Å; E255-K259 WeakPolarHBondContact O-CD 3.33Å; E255-K259 VanDerWaalsContact O-CG 3.22Å; E255-K259 WeakPolarHBondContact O-CG 3.33Å; E255-K259 PolarHBondContact O-N 3Å; E255-K259 IonicContact OE2-NZ 3.81Å; E255-K259 PolarHBondContact OE2-NZ 2.9Å; K259-S262 PolarHBondContact O-OG 3.26Å; K259-Q263 WeakPolarHBondContact O-CB 3.21Å; K259-Q263 WeakPolarHBondContact O-CG 3.33Å; K259-Q263 PolarHBondContact O-N 3.42Å; K259-Q263 VanDerWaalsContact O-N 3.13Å |
| 260 | H | 88.6 | Confident | 86 | Confident | 88 Ų | 88 | 77.7 Ų | 77.7 | 41% | 0.407 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -69.5 | -45.9 | 173.4 | -176.1 | -87.3 | 0 | 0 | 0 | 111.8 | H256 A257 L258 S262 Q263 Q264 | H256-H260 WeakPolarHBondContact O-CB 3.4Å; H256-H260 PolarHBondContact O-N 3.27Å; A257-H260 PolarHBondContact O-N 3.16Å; L258-H260 VanDerWaalsContact C-N 3.29Å; L258-H260 PolarHBondContact O-N 3.36Å; H260-S262 PolarHBondContact O-N 3.06Å; H260-Q263 PolarHBondContact O-N 3.16Å; H260-Q264 PolarHBondContact CE1-OE1 3.29Å; H260-Q264 PolarHBondContact ND1-OE1 3.44Å; H260-Q264 WeakPolarHBondContact O-CG 3.49Å; H260-Q264 PolarHBondContact O-N 2.69Å |
| 261 | C | 84.4 | Confident | 85.3 | Confident | 56 Ų | 56 | 78.3 Ų | 78.3 | 38% | 0.378 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 176.7 | -69.5 | 0 | 0 | 0 | 0 | 112 | A257 L258 Q263 Q264 L265 | A257-C261 PolarHBondContact O-N 3.42Å; A257-C261 PolarHBondContact O-SG 3.49Å; L258-C261 PolarHBondContact O-N 2.95Å; C261-Q263 PolarHBondContact O-N 3.06Å; C261-Q264 PolarHBondContact O-N 3.28Å; C261-L265 WeakPolarHBondContact O-CD1 3.48Å; C261-L265 VanDerWaalsContact O-CG 3.25Å; C261-L265 WeakPolarHBondContact O-CG 3.38Å; C261-L265 PolarHBondContact O-N 3.42Å |
| 262 | S | 85.5 | Confident | 84.1 | Confident | 52 Ų | 52 | 83.6 Ų | 83.6 | 36% | 0.364 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 178 | 65.1 | 0 | 0 | 0 | 0 | 112.1 | L258 K259 H260 Q264 L265 E266 | L258-S262 PolarHBondContact O-N 3.43Å; L258-S262 PolarHBondContact O-OG 3.09Å; K259-S262 PolarHBondContact O-OG 3.26Å; H260-S262 PolarHBondContact O-N 3.06Å; S262-Q264 PolarHBondContact O-N 3.49Å; S262-L265 PolarHBondContact O-N 2.68Å; S262-E266 VanDerWaalsContact O-CB 3.32Å; S262-E266 WeakPolarHBondContact O-CB 3.49Å; S262-E266 PolarHBondContact O-N 3.31Å |
| 263 | Q | 89.3 | Confident | 82.7 | Confident | 127 Ų | 127 | 85.3 Ų | 85.3 | 59% | 0.593 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.2 | -39.3 | 172.2 | -76 | 170.4 | 1.1 | 0 | 0 | 112.9 | K259 H260 C261 G267 | K259-Q263 WeakPolarHBondContact O-CB 3.21Å; K259-Q263 WeakPolarHBondContact O-CG 3.33Å; K259-Q263 PolarHBondContact O-N 3.42Å; K259-Q263 VanDerWaalsContact O-N 3.13Å; H260-Q263 PolarHBondContact O-N 3.16Å; C261-Q263 PolarHBondContact O-N 3.06Å; Q263-G267 PolarHBondContact O-N 2.95Å |
| 264 | Q | 86.1 | Confident | 81.1 | Confident | 109 Ų | 109 | 86.5 Ų | 86.5 | 51% | 0.509 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 175.3 | -72.5 | -175.3 | -65.1 | 0 | 0 | 112 | H260 C261 S262 G267 L268 | H260-Q264 PolarHBondContact CE1-OE1 3.29Å; H260-Q264 PolarHBondContact ND1-OE1 3.44Å; H260-Q264 WeakPolarHBondContact O-CG 3.49Å; H260-Q264 PolarHBondContact O-N 2.69Å; C261-Q264 PolarHBondContact O-N 3.28Å; S262-Q264 PolarHBondContact O-N 3.49Å; Q264-G267 PolarHBondContact O-N 2.79Å; Q264-L268 WeakPolarHBondContact O-CG 3.47Å; Q264-L268 PolarHBondContact O-N 3.45Å |
| 265 | L | 82.3 | Confident | 79.3 | Confident | 37 Ų | 37 | 93.3 Ų | 93.3 | 19% | 0.194 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.5 | -39.9 | 176.5 | -67.4 | 160 | 0 | 0 | 0 | 111.9 | C261 S262 G267 L268 K269 F308 V311 | C261-L265 WeakPolarHBondContact O-CD1 3.48Å; C261-L265 VanDerWaalsContact O-CG 3.25Å; C261-L265 WeakPolarHBondContact O-CG 3.38Å; C261-L265 PolarHBondContact O-N 3.42Å; S262-L265 PolarHBondContact O-N 2.68Å; L265-G267 VanDerWaalsContact C-N 3.33Å; L265-L268 PolarHBondContact O-N 3.13Å; L265-K269 WeakPolarHBondContact O-CB 3.5Å; L265-K269 PolarHBondContact O-N 2.85Å; L265-F308 HydrophobicContact CB-CE1 4.34Å; L265-F308 HydrophobicContact CD2-CD1 4.17Å; L265-F308 HydrophobicContact CD2-CE1 3.89Å; L265-V311 HydrophobicContact CD1-CB 4.42Å; L265-V311 HydrophobicContact CD1-CG1 3.38Å; L265-V311 HydrophobicContact CD2-CG1 4.2Å; L265-V311 HydrophobicContact CG-CG1 4.44Å |
| 266 | E | 82.6 | Confident | 77.4 | Confident | 101 Ų | 101 | 98.7 Ų | 98.7 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 174.2 | -160.8 | -164.6 | 155.7 | 0 | 0 | 111.4 | S262 K269 K270 | S262-E266 VanDerWaalsContact O-CB 3.32Å; S262-E266 WeakPolarHBondContact O-CB 3.49Å; S262-E266 PolarHBondContact O-N 3.31Å; E266-K269 PolarHBondContact O-N 3.25Å; E266-K270 VanDerWaalsContact CD-NZ 3.34Å; E266-K270 WeakPolarHBondContact O-CB 3.34Å; E266-K270 VanDerWaalsContact O-CG 3.28Å; E266-K270 WeakPolarHBondContact O-CG 3.42Å; E266-K270 PolarHBondContact O-N 2.88Å; E266-K270 WeakPolarHBondContact OE1-CE 3.41Å; E266-K270 IonicContact OE1-NZ 3.46Å; E266-K270 PolarHBondContact OE1-NZ 3.19Å |
| 267 | G | 81.3 | Confident | 75.7 | Confident | 28 Ų | 28 | 97.9 Ų | 97.9 | 29% | 0.289 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -46.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q263 Q264 L265 K270 H271 | Q263-G267 PolarHBondContact O-N 2.95Å; Q264-G267 PolarHBondContact O-N 2.79Å; L265-G267 VanDerWaalsContact C-N 3.33Å; G267-K270 PolarHBondContact O-N 2.88Å; G267-H271 PolarHBondContact O-CD2 3.32Å; G267-H271 VanDerWaalsContact O-CD2 3.29Å; G267-H271 PolarHBondContact O-N 3.47Å |
| 268 | L | 76.4 | Confident | 73.9 | Confident | 87 Ų | 87 | 100.8 Ų | 100.8 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 174.4 | -71.1 | 169.3 | 0 | 0 | 0 | 111.6 | Q264 L265 K270 H271 F272 F308 | Q264-L268 WeakPolarHBondContact O-CG 3.47Å; Q264-L268 PolarHBondContact O-N 3.45Å; L265-L268 PolarHBondContact O-N 3.13Å; L268-K270 VanDerWaalsContact C-N 3.29Å; L268-K270 PolarHBondContact O-N 3.21Å; L268-H271 WeakPolarHBondContact O-CB 3.49Å; L268-H271 PolarHBondContact O-N 2.92Å; L268-F272 WeakPolarHBondContact O-CD2 3.35Å; L268-F272 PolarHBondContact O-N 3.1Å; L268-F308 HydrophobicContact CB-CE1 4.32Å; L268-F308 HydrophobicContact CB-CZ 4.04Å |
| 269 | K | 78.1 | Confident | 71.9 | Confident | 108 Ų | 108 | 105.5 Ų | 105.5 | 47% | 0.47 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -57.6 | -40.3 | 174.9 | -176.5 | 174.3 | -179.6 | 174.4 | 0 | 112.1 | L265 E266 F272 Q273 | L265-K269 WeakPolarHBondContact O-CB 3.5Å; L265-K269 PolarHBondContact O-N 2.85Å; E266-K269 PolarHBondContact O-N 3.25Å; K269-F272 PolarHBondContact O-N 3.04Å; K269-Q273 WeakPolarHBondContact O-CB 3.16Å; K269-Q273 WeakPolarHBondContact O-CG 3.3Å; K269-Q273 PolarHBondContact O-N 3.32Å |
| 270 | K | 80.6 | Confident | 69.7 | Low | 113 Ų | 113 | 109 Ų | 109 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.5 | -34 | 174.3 | -74.2 | 165.8 | -174.5 | 168.7 | 0 | 113 | E266 G267 L268 Q273 L274 | E266-K270 VanDerWaalsContact CD-NZ 3.34Å; E266-K270 WeakPolarHBondContact O-CB 3.34Å; E266-K270 VanDerWaalsContact O-CG 3.28Å; E266-K270 WeakPolarHBondContact O-CG 3.42Å; E266-K270 PolarHBondContact O-N 2.88Å; E266-K270 WeakPolarHBondContact OE1-CE 3.41Å; E266-K270 IonicContact OE1-NZ 3.46Å; E266-K270 PolarHBondContact OE1-NZ 3.19Å; G267-K270 PolarHBondContact O-N 2.88Å; L268-K270 VanDerWaalsContact C-N 3.29Å; L268-K270 PolarHBondContact O-N 3.21Å; K270-Q273 PolarHBondContact O-N 2.81Å; K270-L274 WeakPolarHBondContact O-CB 3.3Å; K270-L274 PolarHBondContact O-N 2.97Å |
| 271 | H | 70.8 | Confident | 67.3 | Low | 145 Ų | 145 | 108.2 Ų | 108.2 | 67% | 0.671 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.6 | -45.9 | 172.4 | -85.1 | -71.6 | 0 | 0 | 0 | 112 | G267 L268 Q273 L274 | G267-H271 PolarHBondContact O-CD2 3.32Å; G267-H271 VanDerWaalsContact O-CD2 3.29Å; G267-H271 PolarHBondContact O-N 3.47Å; L268-H271 WeakPolarHBondContact O-CB 3.49Å; L268-H271 PolarHBondContact O-N 2.92Å; H271-Q273 VanDerWaalsContact C-N 3.29Å; H271-Q273 PolarHBondContact O-N 3.32Å; H271-L274 PolarHBondContact O-N 2.98Å |
| 272 | F | 64.6 | Low | 65.3 | Low | 129 Ų | 129 | 113 Ų | 113 | 57% | 0.566 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.1 | -28.2 | 176.1 | -69.2 | -65.7 | 0 | 0 | 0 | 113.5 | L268 K269 F308 | L268-F272 WeakPolarHBondContact O-CD2 3.35Å; L268-F272 PolarHBondContact O-N 3.1Å; K269-F272 PolarHBondContact O-N 3.04Å; F272-F308 HydrophobicContact CD2-CE2 4.02Å; F272-F308 HydrophobicContact CD2-CZ 4.18Å; F272-F308 HydrophobicContact CE2-CE2 4.1Å; F272-F308 HydrophobicContact CE2-CZ 4.1Å |
| 273 | Q | 60.4 | Low | 63 | Low | 127 Ų | 127 | 117.3 Ų | 117.3 | 59% | 0.593 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -4.5 | 178.2 | -72.1 | -176.6 | -21.3 | 0 | 0 | 114.7 | K269 K270 H271 | K269-Q273 WeakPolarHBondContact O-CB 3.16Å; K269-Q273 WeakPolarHBondContact O-CG 3.3Å; K269-Q273 PolarHBondContact O-N 3.32Å; K270-Q273 PolarHBondContact O-N 2.81Å; H271-Q273 VanDerWaalsContact C-N 3.29Å; H271-Q273 PolarHBondContact O-N 3.32Å |
| 274 | L | 57.3 | Low | 60.7 | Low | 138 Ų | 138 | 116.5 Ų | 116.5 | 72% | 0.723 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -4.1 | -179.4 | -162.1 | 62.6 | 0 | 0 | 0 | 113.2 | K270 H271 | K270-L274 WeakPolarHBondContact O-CB 3.3Å; K270-L274 PolarHBondContact O-N 2.97Å; H271-L274 PolarHBondContact O-N 2.98Å |
| 275 | E | 51.1 | Low | 58.3 | Low | 169 Ų | 169 | 115.9 Ų | 115.9 | 79% | 0.79 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -89.2 | -19.1 | -180 | -152.5 | 159.2 | -147.9 | 0 | 0 | 112.7 | V277 | E275-V277 PolarHBondContact O-N 3.04Š|
| 276 | D | 46.9 | Very low | 56.3 | Low | 149 Ų | 149 | 120.9 Ų | 120.9 | 80% | 0.797 | 68% | 0.678 | S | S | * | * | trans | -78.7 | 72.7 | 174.7 | -78.1 | -40.8 | 0 | 0 | 0 | 112.6 | ||||
| 277 | V | 53.5 | Low | 55.1 | Low | 115 Ų | 115 | 120.9 Ų | 120.9 | 70% | 0.697 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 120.6 | 168.8 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | E275 P279 | E275-V277 PolarHBondContact O-N 3.04Å; V277-P279 WeakPolarHBondContact O-CD 3.41Å |
| 278 | P | 52.1 | Low | 53.3 | Low | 113 Ų | 113 | 125.8 Ų | 125.8 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 128.2 | 179.2 | 28.6 | -33.6 | 0 | 0 | 0 | 111.3 | ||
| 279 | P | 49.5 | Very low | 51.8 | Low | 130 Ų | 130 | 130.5 Ų | 130.5 | 84% | 0.844 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 117.9 | 176.8 | 32.6 | -31.5 | 0 | 0 | 0 | 111.1 | V277 | V277-P279 WeakPolarHBondContact O-CD 3.41Š|
| 280 | D | 41.9 | Very low | 49.5 | Very low | 169 Ų | 169 | 130.7 Ų | 130.7 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | trans | -143.9 | 125.5 | 172.8 | -147.5 | -9.9 | 0 | 0 | 0 | 109.3 | ||||
| 281 | G | 38.1 | Very low | 47 | Very low | 71 Ų | 71 | 130.5 Ų | 130.5 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | trans | 126 | 101 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 282 | L | 43.4 | Very low | 45.3 | Very low | 155 Ų | 155 | 128.3 Ų | 128.3 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | trans | -44.3 | 162.1 | 165.7 | -89.3 | 53.3 | 0 | 0 | 0 | 114.9 | ||||
| 283 | D | 36.7 | Very low | 43.8 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | cis | -162.8 | 170.7 | 24.9 | -138.4 | -31.9 | 0 | 0 | 0 | 115.8 | ||||
| 284 | S | 40.3 | Very low | 43.1 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 86.1 | 139.6 | 150.3 | -147.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 285 | A | 37.3 | Very low | 41.8 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | 84 | 147.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 286 | T | 38.8 | Very low | 41.1 | Very low | 141 Ų | 141 | 131 Ų | 131 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | trans | -120.2 | 171.5 | -154.9 | 21.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 287 | P | 58.6 | Low | 41.2 | Very low | 101 Ų | 101 | 128 Ų | 128 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | trans | -101.6 | -170.3 | -145.8 | 42.3 | -40.9 | 0 | 0 | 0 | 115.3 | ||||
| 288 | P | 43.7 | Very low | 40.3 | Very low | 131 Ų | 131 | 132 Ų | 132 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | -126.5 | 161.2 | 108.6 | 37.6 | -33.8 | 0 | 0 | 0 | 114.7 | |||||
| 289 | Q | 43.3 | Very low | 39.6 | Very low | 186 Ų | 186 | 133.7 Ų | 133.7 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -87.8 | 152.4 | -175 | -59.8 | 163.1 | -42.8 | 0 | 0 | 112.8 | ||||
| 290 | S | 30.2 | Very low | 39.3 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -157.7 | 137.8 | 144.1 | -156.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 291 | C | 28.1 | Very low | 39.6 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | trans | 50.5 | 78.6 | 158.8 | -64.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 292 | S | 35.6 | Very low | 40.2 | Very low | 99 Ų | 99 | 132.4 Ų | 132.4 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | 33.8 | 94.1 | 118.9 | 62.5 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 293 | N | 33.4 | Very low | 40.6 | Very low | 154 Ų | 154 | 128 Ų | 128 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | 166.9 | 136.4 | 97.8 | -88.1 | -11 | 0 | 0 | 0 | 111.9 | |||||
| 294 | P | 44.9 | Very low | 41.4 | Very low | 130 Ų | 130 | 122.8 Ų | 122.8 | 84% | 0.844 | 72% | 0.721 | S | S | * | * | trans | -87.1 | 131.8 | 174.8 | 33.8 | -31.9 | 0 | 0 | 0 | 112 | ||||
| 295 | C | 31.2 | Very low | 42.2 | Very low | 127 Ų | 127 | 121.5 Ų | 121.5 | 86% | 0.858 | 71% | 0.711 | S | S | * | * | trans | -154.5 | 106.3 | 155.7 | -162.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 296 | F | 36.8 | Very low | 43.2 | Very low | 207 Ų | 207 | 119.8 Ų | 119.8 | 91% | 0.908 | 70% | 0.697 | S | S | * | * | trans | -130.3 | 162.1 | 176.9 | -98.2 | -40.9 | 0 | 0 | 0 | 109.1 | ||||
| 297 | P | 48.6 | Very low | 44.4 | Very low | 87 Ų | 87 | 118.6 Ų | 118.6 | 57% | 0.565 | 68% | 0.68 | S | S | * | * | trans | -114.3 | 139.4 | -133.1 | 35.2 | -21.9 | 0 | 0 | 0 | 113 | ||||
| 298 | W | 34.1 | Very low | 44.8 | Very low | 198 Ų | 198 | 116 Ų | 116 | 75% | 0.75 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -121 | -19.1 | 178.9 | 80.4 | -61.4 | 0 | 0 | 0 | 114.5 | I302 | W298-I302 HydrophobicContact CE3-CD1 4.39Å; W298-I302 HydrophobicContact CZ3-CD1 4.48Å |
| 299 | E | 37.3 | Very low | 46 | Very low | 150 Ų | 150 | 112 Ų | 112 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -75.8 | -37.7 | 178.7 | -71.1 | -179.3 | 117.6 | 0 | 0 | 113.2 | S301 I302 A303 | E299-S301 VanDerWaalsContact C-N 3.3Å; E299-S301 PolarHBondContact O-N 3.47Å; E299-I302 PolarHBondContact O-N 3.28Å; E299-A303 PolarHBondContact O-N 3Å; E299-A303 VanDerWaalsContact O-N 3.13Å |
| 300 | E | 43.5 | Very low | 47.4 | Very low | 149 Ų | 149 | 109.9 Ų | 109.9 | 70% | 0.696 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.8 | -32.4 | -179.7 | -69.7 | -172.1 | 128.2 | 0 | 0 | 112.7 | I302 A303 A304 | E300-I302 VanDerWaalsContact C-N 3.33Å; E300-I302 PolarHBondContact O-N 3.35Å; E300-A303 PolarHBondContact O-N 2.84Å; E300-A304 WeakPolarHBondContact O-CB 3.46Å; E300-A304 PolarHBondContact O-N 3.36Å |
| 301 | S | 47.3 | Very low | 49.3 | Very low | 88 Ų | 88 | 106.1 Ų | 106.1 | 62% | 0.615 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.4 | -32.5 | 177.4 | -167.2 | 0 | 0 | 0 | 0 | 112.5 | E299 S305 | E299-S301 VanDerWaalsContact C-N 3.3Å; E299-S301 PolarHBondContact O-N 3.47Å; S301-S305 WeakPolarHBondContact O-CB 3.34Å; S301-S305 PolarHBondContact O-N 3.26Å |
| 302 | I | 50.8 | Low | 51.5 | Low | 105 Ų | 105 | 103.4 Ų | 103.4 | 54% | 0.538 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72.4 | -43 | 175.2 | -59.7 | 174.9 | 0 | 0 | 0 | 109.6 | W298 E299 E300 S305 A306 | W298-I302 HydrophobicContact CE3-CD1 4.39Å; W298-I302 HydrophobicContact CZ3-CD1 4.48Å; E299-I302 PolarHBondContact O-N 3.28Å; E300-I302 VanDerWaalsContact C-N 3.33Å; E300-I302 PolarHBondContact O-N 3.35Å; I302-S305 PolarHBondContact O-N 3.23Å; I302-A306 PolarHBondContact O-N 2.88Å |
| 303 | A | 53.3 | Low | 53.4 | Low | 62 Ų | 62 | 103.7 Ų | 103.7 | 51% | 0.512 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.9 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E299 E300 A306 F307 | E299-A303 PolarHBondContact O-N 3Å; E299-A303 VanDerWaalsContact O-N 3.13Å; E300-A303 PolarHBondContact O-N 2.84Å; A303-A306 PolarHBondContact O-N 3.04Å; A303-F307 WeakPolarHBondContact O-CB 3.41Å; A303-F307 PolarHBondContact O-N 3.38Å |
| 304 | A | 52.1 | Low | 55.3 | Low | 35 Ų | 35 | 102.3 Ų | 102.3 | 29% | 0.289 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.3 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E300 A306 F307 F308 | E300-A304 WeakPolarHBondContact O-CB 3.46Å; E300-A304 PolarHBondContact O-N 3.36Å; A304-A306 PolarHBondContact O-N 2.96Å; A304-F307 PolarHBondContact O-N 2.98Å; A304-F308 WeakPolarHBondContact O-CD2 3.16Å; A304-F308 PolarHBondContact O-N 3.29Å |
| 305 | S | 57.5 | Low | 56.7 | Low | 82 Ų | 82 | 97.1 Ų | 97.1 | 57% | 0.573 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.6 | -41.9 | 176.7 | -170.9 | 0 | 0 | 0 | 0 | 112.5 | S301 I302 A309 | S301-S305 WeakPolarHBondContact O-CB 3.34Å; S301-S305 PolarHBondContact O-N 3.26Å; I302-S305 PolarHBondContact O-N 3.23Å; S305-A309 PolarHBondContact O-N 2.85Å; S305-A309 VanDerWaalsContact O-N 3.12Å |
| 306 | A | 59.3 | Low | 58.7 | Low | 61 Ų | 61 | 96.2 Ų | 96.2 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.7 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | I302 A303 A304 A309 E310 | I302-A306 PolarHBondContact O-N 2.88Å; A303-A306 PolarHBondContact O-N 3.04Å; A304-A306 PolarHBondContact O-N 2.96Å; A306-A309 WeakPolarHBondContact O-CB 3.43Å; A306-A309 PolarHBondContact O-N 3.17Å; A306-E310 PolarHBondContact O-N 3.37Å |
| 307 | F | 64 | Low | 60.6 | Low | 117 Ų | 117 | 89.8 Ų | 89.8 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -43.3 | 175.7 | -180 | -101.6 | 0 | 0 | 0 | 112.4 | A303 A304 A309 E310 V311 | A303-F307 WeakPolarHBondContact O-CB 3.41Å; A303-F307 PolarHBondContact O-N 3.38Å; A304-F307 PolarHBondContact O-N 2.98Å; F307-A309 VanDerWaalsContact C-N 3.27Å; F307-A309 PolarHBondContact O-N 2.84Å; F307-E310 PolarHBondContact O-N 3.34Å; F307-V311 HydrophobicContact CD1-CG2 4.45Å; F307-V311 HydrophobicContact CD2-CG2 4.3Å; F307-V311 HydrophobicContact CE1-CG2 4.16Å; F307-V311 HydrophobicContact CE2-CG2 3.99Å; F307-V311 HydrophobicContact CZ-CG2 3.92Å; F307-V311 VanDerWaalsContact O-CG2 3.28Å; F307-V311 WeakPolarHBondContact O-CG2 3.3Å; F307-V311 PolarHBondContact O-N 2.87Å |
| 308 | F | 65.3 | Low | 61.6 | Low | 45 Ų | 45 | 88.1 Ų | 88.1 | 20% | 0.197 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -65.8 | -27.7 | 175 | -79.4 | -62.9 | 0 | 0 | 0 | 113.2 | L265 L268 F272 A304 A312 | L265-F308 HydrophobicContact CB-CE1 4.34Å; L265-F308 HydrophobicContact CD2-CD1 4.17Å; L265-F308 HydrophobicContact CD2-CE1 3.89Å; L268-F308 HydrophobicContact CB-CE1 4.32Å; L268-F308 HydrophobicContact CB-CZ 4.04Å; F272-F308 HydrophobicContact CD2-CE2 4.02Å; F272-F308 HydrophobicContact CD2-CZ 4.18Å; F272-F308 HydrophobicContact CE2-CE2 4.1Å; F272-F308 HydrophobicContact CE2-CZ 4.1Å; A304-F308 WeakPolarHBondContact O-CD2 3.16Å; A304-F308 PolarHBondContact O-N 3.29Å; F308-A312 VanDerWaalsContact O-CB 3.27Å; F308-A312 WeakPolarHBondContact O-CB 3.15Å; F308-A312 PolarHBondContact O-N 2.97Å; F308-A312 VanDerWaalsContact O-N 3.16Å |
| 309 | A | 69.4 | Low | 63.8 | Low | 49 Ų | 49 | 82.3 Ų | 82.3 | 41% | 0.405 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.5 | -53.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S305 A306 F307 V311 A312 D313 | S305-A309 PolarHBondContact O-N 2.85Å; S305-A309 VanDerWaalsContact O-N 3.12Å; A306-A309 WeakPolarHBondContact O-CB 3.43Å; A306-A309 PolarHBondContact O-N 3.17Å; F307-A309 VanDerWaalsContact C-N 3.27Å; F307-A309 PolarHBondContact O-N 2.84Å; A309-V311 VanDerWaalsContact C-N 3.26Å; A309-V311 PolarHBondContact O-N 3.15Å; A309-A312 WeakPolarHBondContact O-CA 3.47Å; A309-A312 WeakPolarHBondContact O-CB 3.18Å; A309-A312 PolarHBondContact O-N 3.03Å; A309-D313 PolarHBondContact O-N 3.13Å |
| 310 | E | 72.6 | Confident | 65.4 | Low | 141 Ų | 141 | 80 Ų | 80 | 66% | 0.659 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -57.1 | -38.9 | 179.7 | -174.9 | 179.7 | -169.7 | 0 | 0 | 112.3 | A306 F307 F314 | A306-E310 PolarHBondContact O-N 3.37Å; F307-E310 PolarHBondContact O-N 3.34Å; E310-F314 WeakPolarHBondContact O-CB 3.48Å; E310-F314 PolarHBondContact O-N 3.16Å |
| 311 | V | 70.3 | Confident | 67.1 | Low | 33 Ų | 33 | 76.9 Ų | 76.9 | 20% | 0.2 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -75.7 | -28.9 | 177.4 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | L265 F307 A309 C315 | L265-V311 HydrophobicContact CD1-CB 4.42Å; L265-V311 HydrophobicContact CD1-CG1 3.38Å; L265-V311 HydrophobicContact CD2-CG1 4.2Å; L265-V311 HydrophobicContact CG-CG1 4.44Å; F307-V311 HydrophobicContact CD1-CG2 4.45Å; F307-V311 HydrophobicContact CD2-CG2 4.3Å; F307-V311 HydrophobicContact CE1-CG2 4.16Å; F307-V311 HydrophobicContact CE2-CG2 3.99Å; F307-V311 HydrophobicContact CZ-CG2 3.92Å; F307-V311 VanDerWaalsContact O-CG2 3.28Å; F307-V311 WeakPolarHBondContact O-CG2 3.3Å; F307-V311 PolarHBondContact O-N 2.87Å; A309-V311 VanDerWaalsContact C-N 3.26Å; A309-V311 PolarHBondContact O-N 3.15Å; V311-C315 PolarHBondContact O-N 3.17Å; V311-C315 PolarHBondContact O-SG 3.32Å; V311-C315 VanDerWaalsContact O-SG 3.4Å |
| 312 | A | 73.4 | Confident | 68.7 | Low | 52 Ų | 52 | 73.8 Ų | 73.8 | 43% | 0.43 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68 | -46.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F308 A309 F314 C315 E316 | F308-A312 VanDerWaalsContact O-CB 3.27Å; F308-A312 WeakPolarHBondContact O-CB 3.15Å; F308-A312 PolarHBondContact O-N 2.97Å; F308-A312 VanDerWaalsContact O-N 3.16Å; A309-A312 WeakPolarHBondContact O-CA 3.47Å; A309-A312 WeakPolarHBondContact O-CB 3.18Å; A309-A312 PolarHBondContact O-N 3.03Å; A312-F314 VanDerWaalsContact C-N 3.27Å; A312-F314 PolarHBondContact O-N 3.37Å; A312-C315 WeakPolarHBondContact O-CA 3.41Å; A312-C315 WeakPolarHBondContact O-CB 3.36Å; A312-C315 PolarHBondContact O-N 3.07Å; A312-E316 PolarHBondContact O-N 3.43Å |
| 313 | D | 76.3 | Confident | 70.1 | Confident | 106 Ų | 106 | 74.2 Ų | 74.2 | 57% | 0.567 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -58.7 | -40.2 | 174.9 | -64.5 | -13.2 | 0 | 0 | 0 | 110.9 | A309 E316 S317 | A309-D313 PolarHBondContact O-N 3.13Å; D313-E316 PolarHBondContact O-N 2.91Å; D313-S317 WeakPolarHBondContact O-CB 3.41Å; D313-S317 PolarHBondContact O-N 2.83Å |
| 314 | F | 72.8 | Confident | 71.1 | Confident | 124 Ų | 124 | 73 Ų | 73 | 54% | 0.544 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 172.2 | 179.5 | -96.7 | 0 | 0 | 0 | 112.1 | E310 A312 N318 | E310-F314 WeakPolarHBondContact O-CB 3.48Å; E310-F314 PolarHBondContact O-N 3.16Å; A312-F314 VanDerWaalsContact C-N 3.27Å; A312-F314 PolarHBondContact O-N 3.37Å; F314-N318 WeakPolarHBondContact CD2-ND2 3.24Å; F314-N318 WeakPolarHBondContact CE1-ND2 3.33Å; F314-N318 VanDerWaalsContact CE2-ND2 3.26Å; F314-N318 WeakPolarHBondContact CE2-ND2 3.44Å; F314-N318 WeakPolarHBondContact CZ-ND2 3.48Å; F314-N318 WeakPolarHBondContact O-CB 3.32Å; F314-N318 PolarHBondContact O-N 3.49Å; F314-N318 PolarHBondContact O-ND2 2.83Å |
| 315 | C | 73.9 | Confident | 72.2 | Confident | 21 Ų | 21 | 75.6 Ų | 75.6 | 14% | 0.142 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 176.3 | -78 | 0 | 0 | 0 | 0 | 112.6 | V311 A312 Q319 | V311-C315 PolarHBondContact O-N 3.17Å; V311-C315 PolarHBondContact O-SG 3.32Å; V311-C315 VanDerWaalsContact O-SG 3.4Å; A312-C315 WeakPolarHBondContact O-CA 3.41Å; A312-C315 WeakPolarHBondContact O-CB 3.36Å; A312-C315 PolarHBondContact O-N 3.07Å; C315-Q319 WeakPolarHBondContact O-CB 3.47Å; C315-Q319 PolarHBondContact O-N 3.48Å |
| 316 | E | 75.1 | Confident | 73.1 | Confident | 109 Ų | 109 | 75 Ų | 75 | 51% | 0.509 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67 | -45.8 | 176.9 | -176.8 | 165.5 | -174.3 | 0 | 0 | 111.7 | A312 D313 N318 Q319 M320 | A312-E316 PolarHBondContact O-N 3.43Å; D313-E316 PolarHBondContact O-N 2.91Å; E316-N318 PolarHBondContact O-N 3.39Å; E316-Q319 CarbonylContact O-C 3.56Å; E316-Q319 WeakPolarHBondContact O-CA 3.38Å; E316-Q319 WeakPolarHBondContact O-CB 3.3Å; E316-Q319 PolarHBondContact O-N 2.97Å; E316-M320 WeakPolarHBondContact O-CG 3.17Å; E316-M320 PolarHBondContact O-N 3.19Å |
| 317 | S | 76.3 | Confident | 73.9 | Confident | 71 Ų | 71 | 77.8 Ų | 77.8 | 50% | 0.497 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -56.8 | -46.6 | 175.4 | -179 | 0 | 0 | 0 | 0 | 112.1 | D313 Q319 M320 V321 | D313-S317 WeakPolarHBondContact O-CB 3.41Å; D313-S317 PolarHBondContact O-N 2.83Å; S317-Q319 VanDerWaalsContact C-N 3.34Å; S317-Q319 PolarHBondContact O-N 3.43Å; S317-M320 PolarHBondContact O-N 3.04Å; S317-V321 WeakPolarHBondContact O-CG2 3.36Å; S317-V321 PolarHBondContact O-N 3.03Å |
| 318 | N | 69.5 | Low | 74.2 | Confident | 53 Ų | 53 | 75.1 Ų | 75.1 | 28% | 0.283 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.7 | -33.5 | 174.8 | -77.9 | -92.9 | 0 | 0 | 0 | 112.4 | L258 F314 E316 V321 L322 | L258-N318 HydrophobicContact CD1-CB 3.62Å; L258-N318 HydrophobicContact CD2-CB 3.84Å; L258-N318 HydrophobicContact CG-CB 4.38Å; F314-N318 WeakPolarHBondContact CD2-ND2 3.24Å; F314-N318 WeakPolarHBondContact CE1-ND2 3.33Å; F314-N318 VanDerWaalsContact CE2-ND2 3.26Å; F314-N318 WeakPolarHBondContact CE2-ND2 3.44Å; F314-N318 WeakPolarHBondContact CZ-ND2 3.48Å; F314-N318 WeakPolarHBondContact O-CB 3.32Å; F314-N318 PolarHBondContact O-N 3.49Å; F314-N318 PolarHBondContact O-ND2 2.83Å; E316-N318 PolarHBondContact O-N 3.39Å; N318-V321 PolarHBondContact O-N 2.91Å; N318-L322 WeakPolarHBondContact O-CG 3.28Å; N318-L322 PolarHBondContact O-N 3.02Å |
| 319 | Q | 78.9 | Confident | 74.3 | Confident | 76 Ų | 76 | 74.7 Ų | 74.7 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 174.3 | -169.9 | 179 | 49.5 | 0 | 0 | 111.6 | C315 E316 S317 L322 R323 | C315-Q319 WeakPolarHBondContact O-CB 3.47Å; C315-Q319 PolarHBondContact O-N 3.48Å; E316-Q319 CarbonylContact O-C 3.56Å; E316-Q319 WeakPolarHBondContact O-CA 3.38Å; E316-Q319 WeakPolarHBondContact O-CB 3.3Å; E316-Q319 PolarHBondContact O-N 2.97Å; S317-Q319 VanDerWaalsContact C-N 3.34Å; S317-Q319 PolarHBondContact O-N 3.43Å; Q319-L322 PolarHBondContact O-N 3.12Å; Q319-R323 WeakPolarHBondContact O-CG 3.42Å; Q319-R323 PolarHBondContact O-N 3.35Å |
| 320 | M | 72.1 | Confident | 74 | Confident | 102 Ų | 102 | 74.7 Ų | 74.7 | 50% | 0.502 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 175 | -66.7 | -60.6 | -167.4 | 0 | 0 | 111.9 | E316 S317 L322 R323 G324 | E316-M320 WeakPolarHBondContact O-CG 3.17Å; E316-M320 PolarHBondContact O-N 3.19Å; S317-M320 PolarHBondContact O-N 3.04Å; M320-L322 VanDerWaalsContact C-N 3.35Å; M320-L322 PolarHBondContact O-N 2.97Å; M320-R323 PolarHBondContact O-N 3.27Å; M320-G324 PolarHBondContact O-N 3.43Å |
| 321 | V | 78.9 | Confident | 73.4 | Confident | 82 Ų | 82 | 72 Ų | 72 | 50% | 0.497 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 174.7 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | S317 N318 G324 L325 | S317-V321 WeakPolarHBondContact O-CG2 3.36Å; S317-V321 PolarHBondContact O-N 3.03Å; N318-V321 PolarHBondContact O-N 2.91Å; V321-G324 PolarHBondContact O-N 3.47Å; V321-L325 HydrophobicContact CG1-CD1 4.1Å; V321-L325 WeakPolarHBondContact O-CB 3.33Å; V321-L325 WeakPolarHBondContact O-CG 3.46Å; V321-L325 PolarHBondContact O-N 3.32Å |
| 322 | L | 79.9 | Confident | 72.5 | Confident | 23 Ų | 23 | 76.1 Ų | 76.1 | 12% | 0.12 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69.5 | -36.4 | 175.9 | -72.2 | 177.2 | 0 | 0 | 0 | 112.9 | A251 E255 L258 N318 Q319 M320 L325 Q326 | A251-L322 HydrophobicContact CB-CD2 4.26Å; E255-L322 HydrophobicContact CB-CD1 4.37Å; E255-L322 HydrophobicContact CG-CB 4.37Å; E255-L322 HydrophobicContact CG-CD1 3.78Å; L258-L322 HydrophobicContact CD1-CD1 3.54Å; N318-L322 WeakPolarHBondContact O-CG 3.28Å; N318-L322 PolarHBondContact O-N 3.02Å; Q319-L322 PolarHBondContact O-N 3.12Å; M320-L322 VanDerWaalsContact C-N 3.35Å; M320-L322 PolarHBondContact O-N 2.97Å; L322-L325 HydrophobicContact CD2-CD1 4.43Å; L322-L325 PolarHBondContact O-N 3.2Å; L322-Q326 WeakPolarHBondContact O-CB 3.34Å; L322-Q326 PolarHBondContact O-N 2.88Å |
| 323 | R | 80.8 | Confident | 71.7 | Confident | 114 Ų | 114 | 77.1 Ų | 77.1 | 43% | 0.43 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -59.4 | -51.8 | 170.2 | -72.2 | -176.8 | -154.8 | -84.1 | 2.6 | 111.2 | Q319 M320 L325 Q326 E327 | Q319-R323 WeakPolarHBondContact O-CG 3.42Å; Q319-R323 PolarHBondContact O-N 3.35Å; M320-R323 PolarHBondContact O-N 3.27Å; R323-L325 VanDerWaalsContact C-N 3.28Å; R323-L325 PolarHBondContact O-N 3.42Å; R323-Q326 CarbonylContact O-C 3.49Å; R323-Q326 WeakPolarHBondContact O-CA 3.48Å; R323-Q326 PolarHBondContact O-N 3.41Å; R323-E327 WeakPolarHBondContact O-CB 3.36Å; R323-E327 WeakPolarHBondContact O-CG 3.4Å; R323-E327 PolarHBondContact O-N 2.89Å |
| 324 | G | 75.3 | Confident | 70.6 | Confident | 36 Ų | 36 | 77.7 Ų | 77.7 | 37% | 0.371 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.3 | -36.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | M320 V321 A328 | M320-G324 PolarHBondContact O-N 3.43Å; V321-G324 PolarHBondContact O-N 3.47Å; G324-A328 VanDerWaalsContact O-CB 3.3Å; G324-A328 WeakPolarHBondContact O-CB 3.25Å; G324-A328 PolarHBondContact O-N 3.05Å |
| 325 | L | 74.4 | Confident | 69.4 | Low | 91 Ų | 91 | 75 Ų | 75 | 48% | 0.476 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -68.6 | -37.2 | 171.7 | -74.4 | 171 | 0 | 0 | 0 | 112.8 | V321 L322 R323 L329 | V321-L325 HydrophobicContact CG1-CD1 4.1Å; V321-L325 WeakPolarHBondContact O-CB 3.33Å; V321-L325 WeakPolarHBondContact O-CG 3.46Å; V321-L325 PolarHBondContact O-N 3.32Å; L322-L325 HydrophobicContact CD2-CD1 4.43Å; L322-L325 PolarHBondContact O-N 3.2Å; R323-L325 VanDerWaalsContact C-N 3.28Å; R323-L325 PolarHBondContact O-N 3.42Å; L325-L329 WeakPolarHBondContact O-CB 3.28Å; L325-L329 WeakPolarHBondContact O-CD1 3.29Å; L325-L329 WeakPolarHBondContact O-CG 3.27Å; L325-L329 PolarHBondContact O-N 3.43Å; L325-L329 VanDerWaalsContact O-N 3.17Å |
| 326 | Q | 76.7 | Confident | 67.8 | Low | 70 Ų | 70 | 79.6 Ų | 79.6 | 33% | 0.327 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.9 | -47.5 | 174 | -178.5 | 176.4 | -10.7 | 0 | 0 | 111.2 | L322 R323 A328 L329 D330 | L322-Q326 WeakPolarHBondContact O-CB 3.34Å; L322-Q326 PolarHBondContact O-N 2.88Å; R323-Q326 CarbonylContact O-C 3.49Å; R323-Q326 WeakPolarHBondContact O-CA 3.48Å; R323-Q326 PolarHBondContact O-N 3.41Å; Q326-A328 VanDerWaalsContact C-N 3.31Å; Q326-A328 PolarHBondContact O-N 2.99Å; Q326-L329 CarbonylContact O-C 3.45Å; Q326-L329 PolarHBondContact O-N 2.83Å; Q326-D330 VanDerWaalsContact CG-OD2 3.28Å; Q326-D330 WeakPolarHBondContact CG-OD2 3.46Å; Q326-D330 PolarHBondContact NE2-OD2 3.07Å; Q326-D330 WeakPolarHBondContact O-CB 3.48Å; Q326-D330 PolarHBondContact O-N 2.99Å |
| 327 | E | 75.3 | Confident | 66.3 | Low | 118 Ų | 118 | 80 Ų | 80 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.8 | -40.6 | 179.7 | -73.2 | 162.9 | -159.8 | 0 | 0 | 111.4 | R323 S331 | R323-E327 WeakPolarHBondContact O-CB 3.36Å; R323-E327 WeakPolarHBondContact O-CG 3.4Å; R323-E327 PolarHBondContact O-N 2.89Å; E327-S331 WeakPolarHBondContact O-CB 3.43Å; E327-S331 PolarHBondContact O-N 2.94Å; E327-S331 PolarHBondContact O-OG 3.41Å |
| 328 | A | 70.6 | Confident | 65.3 | Low | 61 Ų | 61 | 82.3 Ų | 82.3 | 50% | 0.504 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -34.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G324 Q326 | G324-A328 VanDerWaalsContact O-CB 3.3Å; G324-A328 WeakPolarHBondContact O-CB 3.25Å; G324-A328 PolarHBondContact O-N 3.05Å; Q326-A328 VanDerWaalsContact C-N 3.31Å; Q326-A328 PolarHBondContact O-N 2.99Å |
| 329 | L | 67.6 | Low | 63.9 | Low | 37 Ų | 37 | 85 Ų | 85 | 19% | 0.194 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -80.3 | -33.7 | 178.2 | -74 | 171 | 0 | 0 | 0 | 113.4 | R247 L325 Q326 | R247-L329 HydrophobicContact CB-CD1 4.25Å; L325-L329 WeakPolarHBondContact O-CB 3.28Å; L325-L329 WeakPolarHBondContact O-CD1 3.29Å; L325-L329 WeakPolarHBondContact O-CG 3.27Å; L325-L329 PolarHBondContact O-N 3.43Å; L325-L329 VanDerWaalsContact O-N 3.17Å; Q326-L329 CarbonylContact O-C 3.45Å; Q326-L329 PolarHBondContact O-N 2.83Å |
| 330 | D | 62.3 | Low | 62.5 | Low | 49 Ų | 49 | 88.2 Ų | 88.2 | 26% | 0.262 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -79.4 | -26.6 | 176.8 | -78.2 | -28.6 | 0 | 0 | 0 | 111.1 | R248 Q326 E332 A333 | R248-D330 IonicContact CZ-OD1 3.85Å; R248-D330 IonicContact CZ-OD2 3.13Å; R248-D330 IonicContact NH1-OD1 2.67Å; R248-D330 PolarHBondContact NH1-OD1 2.85Å; R248-D330 IonicContact NH2-OD1 3.66Å; R248-D330 PolarHBondContact NH2-OD1 3.27Å; R248-D330 IonicContact NH2-OD2 2.66Å; R248-D330 PolarHBondContact NH2-OD2 3.15Å; R248-D330 VanDerWaalsContact NH2-OD2 3.13Å; Q326-D330 VanDerWaalsContact CG-OD2 3.28Å; Q326-D330 WeakPolarHBondContact CG-OD2 3.46Å; Q326-D330 PolarHBondContact NE2-OD2 3.07Å; Q326-D330 WeakPolarHBondContact O-CB 3.48Å; Q326-D330 PolarHBondContact O-N 2.99Å; D330-E332 PolarHBondContact O-N 3.31Å; D330-A333 VanDerWaalsContact O-CB 3.23Å; D330-A333 WeakPolarHBondContact O-CB 3.43Å; D330-A333 PolarHBondContact O-N 3.35Å; D330-A333 VanDerWaalsContact O-N 3.08Å |
| 331 | S | 60.5 | Low | 61.2 | Low | 83 Ų | 83 | 90 Ų | 90 | 58% | 0.58 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.1 | -26.8 | 173.6 | -66.1 | 0 | 0 | 0 | 0 | 113.9 | E327 A333 T334 | E327-S331 WeakPolarHBondContact O-CB 3.43Å; E327-S331 PolarHBondContact O-N 2.94Å; E327-S331 PolarHBondContact O-OG 3.41Å; S331-A333 PolarHBondContact O-N 3.22Å; S331-T334 PolarHBondContact O-OG1 3.09Å |
| 332 | E | 52.8 | Low | 59.6 | Low | 120 Ų | 120 | 95 Ų | 95 | 56% | 0.561 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -11.7 | 169.2 | -76.9 | -161.6 | 176.3 | 0 | 0 | 113.1 | R244 D330 | R244-E332 VanDerWaalsContact CD-OE2 3.27Å; R244-E332 WeakPolarHBondContact CD-OE2 3.19Å; R244-E332 IonicContact CZ-OE2 2.63Å; R244-E332 IonicContact NE-OE2 3.69Å; R244-E332 IonicContact NH1-OE2 3.27Å; R244-E332 PolarHBondContact NH1-OE2 2.82Å; D330-E332 PolarHBondContact O-N 3.31Å |
| 333 | A | 55.2 | Low | 58 | Low | 74 Ų | 74 | 101.1 Ų | 101.1 | 61% | 0.612 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -23.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | D330 S331 | D330-A333 VanDerWaalsContact O-CB 3.23Å; D330-A333 WeakPolarHBondContact O-CB 3.43Å; D330-A333 PolarHBondContact O-N 3.35Å; D330-A333 VanDerWaalsContact O-N 3.08Å; S331-A333 PolarHBondContact O-N 3.22Å |
| 334 | T | 53.2 | Low | 56 | Low | 118 Ų | 118 | 103.8 Ų | 103.8 | 72% | 0.724 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -91.5 | -17.3 | -179.1 | 47.6 | 0 | 0 | 0 | 0 | 113.9 | S331 S336 | S331-T334 PolarHBondContact O-OG1 3.09Å; T334-S336 PolarHBondContact O-N 2.86Å |
| 335 | G | 47.8 | Very low | 54.8 | Low | 67 Ų | 67 | 111.2 Ų | 111.2 | 69% | 0.691 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -71.1 | 26.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 336 | S | 40 | Very low | 53 | Low | 118 Ų | 118 | 113.4 Ų | 113.4 | 83% | 0.825 | 66% | 0.66 | S | S | * | * | trans | -153.6 | 52.8 | -178.2 | -71.8 | 0 | 0 | 0 | 0 | 112.6 | T334 | T334-S336 PolarHBondContact O-N 2.86Š| ||
| 337 | S | 43.3 | Very low | 51.7 | Low | 116 Ų | 116 | 118.1 Ų | 118.1 | 81% | 0.811 | 68% | 0.684 | S | S | * | * | trans | -119.2 | 132 | 157.8 | -168 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 338 | S | 56.4 | Low | 50.1 | Low | 120 Ų | 120 | 120.6 Ų | 120.6 | 84% | 0.839 | 70% | 0.7 | S | S | * | * | trans | -91.8 | 129.9 | -177.6 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 339 | S | 40.6 | Very low | 48.8 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 77% | 0.769 | 72% | 0.716 | S | S | * | * | trans | -140.3 | 140.8 | 146 | -162.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 340 | D | 48.2 | Very low | 47.9 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | trans | -77 | -178.1 | 156.4 | -149 | -19.2 | 0 | 0 | 0 | 108.3 | ||||
| 341 | D | 44.6 | Very low | 47.1 | Very low | 141 Ų | 141 | 131.8 Ų | 131.8 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 97.3 | 116.8 | 173.3 | -56.2 | -30.2 | 0 | 0 | 0 | 117.9 | ||||
| 342 | E | 45.3 | Very low | 46.5 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | trans | 55.4 | 90.9 | 147.6 | -52.3 | -159.3 | 149.6 | 0 | 0 | 121.5 | ||||
| 343 | L | 46.7 | Very low | 46.5 | Very low | 152 Ų | 152 | 131.9 Ų | 131.9 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | 46.4 | 99.8 | 112 | -160.5 | 165 | 0 | 0 | 0 | 118.1 | |||||
| 344 | E | 39.5 | Very low | 46.5 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | trans | -142.4 | 136 | 137.3 | -89.4 | -56.9 | 172.3 | 0 | 0 | 110.4 | ||||
| 345 | E | 50.7 | Low | 47.2 | Very low | 192 Ų | 192 | 128.8 Ų | 128.8 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | trans | -102.4 | 87 | 170.6 | -80.8 | -165.9 | 122.1 | 0 | 0 | 109.4 | ||||
| 346 | D | 36.9 | Very low | 48.3 | Very low | 136 Ų | 136 | 129.3 Ų | 129.3 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | -137.1 | 101.8 | 172 | -148.4 | 13.1 | 0 | 0 | 0 | 115.9 | L348 | D346-L348 PolarHBondContact O-N 3.39Š| ||
| 347 | M | 47.5 | Very low | 50.5 | Low | 169 Ų | 169 | 129.7 Ų | 129.7 | 83% | 0.833 | 73% | 0.733 | S | S | * | * | trans | 36.5 | 72.9 | 136 | -63.9 | -88.2 | -74.8 | 0 | 0 | 120 | ||||
| 348 | L | 41.8 | Very low | 52.2 | Low | 170 Ų | 170 | 130.4 Ų | 130.4 | 89% | 0.89 | 73% | 0.725 | S | S | * | * | trans | -135.5 | 118.3 | 146.3 | -75.5 | -179.6 | 0 | 0 | 0 | 111.7 | D346 P350 | D346-L348 PolarHBondContact O-N 3.39Å; L348-P350 WeakPolarHBondContact O-CD 3.42Å | ||
| 349 | S | 43.6 | Very low | 53.7 | Low | 122 Ų | 122 | 129.3 Ų | 129.3 | 85% | 0.853 | 71% | 0.707 | S | S | * | * | trans | -118.9 | 98.8 | -178.6 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 350 | P | 48.4 | Very low | 56.2 | Low | 95 Ų | 95 | 130.7 Ų | 130.7 | 62% | 0.617 | 70% | 0.695 | S | S | * | * | trans | -105 | 25.5 | 175.5 | 37.7 | -33 | 0 | 0 | 0 | 114.1 | L348 | L348-P350 WeakPolarHBondContact O-CD 3.42Š| ||
| 351 | F | 45.7 | Very low | 58.4 | Low | 166 Ų | 166 | 128 Ų | 128 | 73% | 0.728 | 68% | 0.681 | S | S | * | * | trans | -126.3 | 77.3 | -170.5 | -70.5 | -72.8 | 0 | 0 | 0 | 115 | S354 | F351-S354 WeakPolarHBondContact CD1-OG 3.27Š| ||
| 352 | S | 48.9 | Very low | 60.7 | Low | 105 Ų | 105 | 128.1 Ų | 128.1 | 73% | 0.734 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -134 | -44.7 | 157.9 | -71.6 | 0 | 0 | 0 | 0 | 111.9 | S354 | S352-S354 PolarHBondContact O-N 2.72Š|
| 353 | S | 51.8 | Low | 63.1 | Low | 99 Ų | 99 | 123.9 Ų | 123.9 | 69% | 0.692 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -71.5 | -29.9 | -173.7 | -46.9 | 0 | 0 | 0 | 0 | 114.6 | S355 S356 | S353-S355 VanDerWaalsContact C-N 3.3Å; S353-S355 PolarHBondContact O-N 2.71Å; S353-S356 PolarHBondContact O-OG 3.01Å |
| 354 | S | 56.4 | Low | 65.4 | Low | 43 Ų | 43 | 123.3 Ų | 123.3 | 30% | 0.301 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -73.6 | -18.5 | -177.5 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | F351 S352 E357 M358 | F351-S354 WeakPolarHBondContact CD1-OG 3.27Å; S352-S354 PolarHBondContact O-N 2.72Å; S354-E357 PolarHBondContact O-N 2.93Å; S354-M358 VanDerWaalsContact O-CB 3.23Å; S354-M358 WeakPolarHBondContact O-CB 3.17Å; S354-M358 PolarHBondContact O-N 3.44Å |
| 355 | S | 67.3 | Low | 68.1 | Low | 84 Ų | 84 | 117.9 Ų | 117.9 | 59% | 0.587 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.7 | -41.8 | 178.4 | -169.2 | 0 | 0 | 0 | 0 | 112 | S353 Q359 | S353-S355 VanDerWaalsContact C-N 3.3Å; S353-S355 PolarHBondContact O-N 2.71Å; S355-Q359 WeakPolarHBondContact O-CB 3.46Å; S355-Q359 PolarHBondContact O-N 3.29Å |
| 356 | S | 71.6 | Confident | 70.3 | Confident | 79 Ų | 79 | 113.1 Ų | 113.1 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -72.8 | -34 | 176.9 | 41.2 | 0 | 0 | 0 | 0 | 112.9 | S353 W360 | S353-S356 PolarHBondContact O-OG 3.01Å; S356-W360 WeakPolarHBondContact O-CB 3.47Å; S356-W360 PolarHBondContact O-N 2.84Å |
| 357 | E | 85.4 | Confident | 73.1 | Confident | 125 Ų | 125 | 111.7 Ų | 111.7 | 58% | 0.584 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.7 | -44.8 | 175.1 | -174.2 | 172.6 | -164.9 | 0 | 0 | 111.5 | S354 Q359 W360 L361 | S354-E357 PolarHBondContact O-N 2.93Å; E357-Q359 PolarHBondContact O-N 2.92Å; E357-W360 PolarHBondContact O-N 3.24Å; E357-L361 HydrophobicContact CG-CD1 4.38Å; E357-L361 WeakPolarHBondContact O-CG 3.29Å; E357-L361 PolarHBondContact O-N 3.01Å |
| 358 | M | 79.6 | Confident | 75.4 | Confident | 132 Ų | 132 | 106.4 Ų | 106.4 | 65% | 0.65 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.8 | -44.7 | 174.6 | -165 | 82.8 | 72.7 | 0 | 0 | 111.3 | S354 L361 E362 | S354-M358 VanDerWaalsContact O-CB 3.23Å; S354-M358 WeakPolarHBondContact O-CB 3.17Å; S354-M358 PolarHBondContact O-N 3.44Å; M358-L361 PolarHBondContact O-N 3.06Å; M358-E362 WeakPolarHBondContact O-CB 3.38Å; M358-E362 PolarHBondContact O-N 3.2Å |
| 359 | Q | 88.1 | Confident | 77.9 | Confident | 97 Ų | 97 | 101.3 Ų | 101.3 | 45% | 0.453 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.7 | -43.4 | 176.2 | -176.1 | -177.8 | -26.2 | 0 | 0 | 111.8 | S355 E357 L361 E362 E363 | S355-Q359 WeakPolarHBondContact O-CB 3.46Å; S355-Q359 PolarHBondContact O-N 3.29Å; E357-Q359 PolarHBondContact O-N 2.92Å; Q359-L361 VanDerWaalsContact C-N 3.32Å; Q359-L361 PolarHBondContact O-N 3.27Å; Q359-E362 PolarHBondContact O-N 2.96Å; Q359-E363 HydrophobicContact CG-CG 4.43Å; Q359-E363 WeakPolarHBondContact CG-OE1 3.38Å; Q359-E363 PolarHBondContact NE2-OE1 2.86Å; Q359-E363 WeakPolarHBondContact O-CB 3.29Å; Q359-E363 WeakPolarHBondContact O-CG 3.45Å; Q359-E363 PolarHBondContact O-N 3.49Å |
| 360 | W | 92.5 | Very high | 80.5 | Confident | 138 Ų | 138 | 101.4 Ų | 101.4 | 52% | 0.523 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 176.7 | -178.8 | 88.5 | 0 | 0 | 0 | 112.5 | S356 E357 R364 | S356-W360 WeakPolarHBondContact O-CB 3.47Å; S356-W360 PolarHBondContact O-N 2.84Å; E357-W360 PolarHBondContact O-N 3.24Å; W360-R364 VanDerWaalsContact CD2-CD 3.5Å; W360-R364 HydrophobicContact CD2-CG 4.47Å; W360-R364 VanDerWaalsContact CE2-CD 3.41Å; W360-R364 VanDerWaalsContact CH2-CD 3.44Å; W360-R364 VanDerWaalsContact CZ2-CD 3.4Å; W360-R364 VanDerWaalsContact CZ3-CD 3.49Å; W360-R364 WeakPolarHBondContact O-CB 3.46Å; W360-R364 WeakPolarHBondContact O-CD 3.21Å; W360-R364 VanDerWaalsContact O-CG 3.22Å; W360-R364 WeakPolarHBondContact O-CG 3.46Å; W360-R364 PolarHBondContact O-N 3.36Å |
| 361 | L | 94.9 | Very high | 82.8 | Confident | 88 Ų | 88 | 104.5 Ų | 104.5 | 46% | 0.461 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.7 | -40 | 172.7 | -70.7 | 172.3 | 0 | 0 | 0 | 111.9 | E357 M358 Q359 R364 A365 | E357-L361 HydrophobicContact CG-CD1 4.38Å; E357-L361 WeakPolarHBondContact O-CG 3.29Å; E357-L361 PolarHBondContact O-N 3.01Å; M358-L361 PolarHBondContact O-N 3.06Å; Q359-L361 VanDerWaalsContact C-N 3.32Å; Q359-L361 PolarHBondContact O-N 3.27Å; L361-R364 PolarHBondContact O-N 2.93Å; L361-A365 WeakPolarHBondContact O-CB 3.39Å; L361-A365 PolarHBondContact O-N 3.22Å |
| 362 | E | 92.2 | Very high | 85.3 | Confident | 142 Ų | 142 | 101 Ų | 101 | 66% | 0.664 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.5 | -45.7 | 176 | -175.2 | 169.5 | -158.6 | 0 | 0 | 111.9 | M358 Q359 R364 A365 E366 | M358-E362 WeakPolarHBondContact O-CB 3.38Å; M358-E362 PolarHBondContact O-N 3.2Å; Q359-E362 PolarHBondContact O-N 2.96Å; E362-R364 VanDerWaalsContact C-N 3.31Å; E362-R364 PolarHBondContact O-N 3.32Å; E362-A365 WeakPolarHBondContact O-CB 3.48Å; E362-A365 PolarHBondContact O-N 3.03Å; E362-E366 PolarHBondContact O-N 3.44Å |
| 363 | E | 95.1 | Very high | 87.6 | Confident | 98 Ų | 98 | 103 Ų | 103 | 46% | 0.458 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 174.8 | -74.4 | 177 | -162.3 | 0 | 0 | 111.5 | Q359 E366 L367 | Q359-E363 HydrophobicContact CG-CG 4.43Å; Q359-E363 WeakPolarHBondContact CG-OE1 3.38Å; Q359-E363 PolarHBondContact NE2-OE1 2.86Å; Q359-E363 WeakPolarHBondContact O-CB 3.29Å; Q359-E363 WeakPolarHBondContact O-CG 3.45Å; Q359-E363 PolarHBondContact O-N 3.49Å; E363-E366 PolarHBondContact O-N 2.88Å; E363-L367 WeakPolarHBondContact O-CB 3.5Å; E363-L367 VanDerWaalsContact O-CG 3.23Å; E363-L367 WeakPolarHBondContact O-CG 3.32Å; E363-L367 PolarHBondContact O-N 3.2Å |
| 364 | R | 96.5 | Very high | 89.9 | Confident | 139 Ų | 139 | 102.3 Ų | 102.3 | 53% | 0.525 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.4 | -39.3 | 173.7 | -76 | 171.6 | 63.8 | 93.6 | -2.2 | 112.7 | W360 L361 E362 E366 L367 S368 | W360-R364 VanDerWaalsContact CD2-CD 3.5Å; W360-R364 HydrophobicContact CD2-CG 4.47Å; W360-R364 VanDerWaalsContact CE2-CD 3.41Å; W360-R364 VanDerWaalsContact CH2-CD 3.44Å; W360-R364 VanDerWaalsContact CZ2-CD 3.4Å; W360-R364 VanDerWaalsContact CZ3-CD 3.49Å; W360-R364 WeakPolarHBondContact O-CB 3.46Å; W360-R364 WeakPolarHBondContact O-CD 3.21Å; W360-R364 VanDerWaalsContact O-CG 3.22Å; W360-R364 WeakPolarHBondContact O-CG 3.46Å; W360-R364 PolarHBondContact O-N 3.36Å; L361-R364 PolarHBondContact O-N 2.93Å; E362-R364 VanDerWaalsContact C-N 3.31Å; E362-R364 PolarHBondContact O-N 3.32Å; R364-E366 VanDerWaalsContact C-N 3.35Å; R364-L367 PolarHBondContact O-N 3.37Å; R364-S368 WeakPolarHBondContact O-CB 3.23Å; R364-S368 PolarHBondContact O-N 3.16Å; R364-S368 PolarHBondContact O-OG 2.92Å |
| 365 | A | 94.9 | Very high | 91.8 | Very high | 57 Ų | 57 | 105.7 Ų | 105.7 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L361 E362 S368 S369 | L361-A365 WeakPolarHBondContact O-CB 3.39Å; L361-A365 PolarHBondContact O-N 3.22Å; E362-A365 WeakPolarHBondContact O-CB 3.48Å; E362-A365 PolarHBondContact O-N 3.03Å; A365-S368 PolarHBondContact O-N 2.95Å; A365-S368 PolarHBondContact O-OG 3.48Å; A365-S369 PolarHBondContact O-N 3.31Å |
| 366 | E | 96.5 | Very high | 93.3 | Very high | 91 Ų | 91 | 106.9 Ų | 106.9 | 43% | 0.425 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.1 | -47.7 | 177.5 | -151.3 | -151.3 | 173.3 | 0 | 0 | 111.8 | E362 E363 R364 S368 S369 R370 | E362-E366 PolarHBondContact O-N 3.44Å; E363-E366 PolarHBondContact O-N 2.88Å; R364-E366 VanDerWaalsContact C-N 3.35Å; E366-S368 VanDerWaalsContact C-N 3.32Å; E366-S368 PolarHBondContact O-N 2.96Å; E366-S369 PolarHBondContact O-N 2.86Å; E366-S369 VanDerWaalsContact O-N 3.11Å; E366-S369 PolarHBondContact O-OG 3.25Å; E366-R370 WeakPolarHBondContact O-CB 3.15Å; E366-R370 WeakPolarHBondContact O-CG 3.49Å; E366-R370 PolarHBondContact O-N 3.36Å; E366-R370 IonicContact OE1-CZ 3.11Å; E366-R370 IonicContact OE1-NE 2.7Å; E366-R370 PolarHBondContact OE1-NE 3.18Å; E366-R370 IonicContact OE1-NH2 2.75Å; E366-R370 PolarHBondContact OE1-NH2 2.98Å; E366-R370 IonicContact OE2-CZ 3.85Å; E366-R370 IonicContact OE2-NE 2.66Å; E366-R370 PolarHBondContact OE2-NE 2.94Å; E366-R370 IonicContact OE2-NH1 2.9Å; E366-R370 IonicContact OE2-NH2 3.72Å; E366-R370 PolarHBondContact OE2-NH2 3.47Å |
| 367 | L | 97.4 | Very high | 94.5 | Very high | 106 Ų | 106 | 107.3 Ų | 107.3 | 56% | 0.555 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -57.8 | -42.2 | 176 | -75.8 | 170.2 | 0 | 0 | 0 | 112 | E363 R364 R370 W371 | E363-L367 WeakPolarHBondContact O-CB 3.5Å; E363-L367 VanDerWaalsContact O-CG 3.23Å; E363-L367 WeakPolarHBondContact O-CG 3.32Å; E363-L367 PolarHBondContact O-N 3.2Å; R364-L367 PolarHBondContact O-N 3.37Å; L367-R370 PolarHBondContact O-N 3Å; L367-W371 WeakPolarHBondContact O-CB 3.31Å; L367-W371 PolarHBondContact O-N 2.81Å |
| 368 | S | 94.9 | Very high | 95.1 | Very high | 59 Ų | 59 | 106.7 Ų | 106.7 | 41% | 0.413 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 175.3 | 74.5 | 0 | 0 | 0 | 0 | 112.3 | R364 A365 E366 W371 I372 | R364-S368 WeakPolarHBondContact O-CB 3.23Å; R364-S368 PolarHBondContact O-N 3.16Å; R364-S368 PolarHBondContact O-OG 2.92Å; A365-S368 PolarHBondContact O-N 2.95Å; A365-S368 PolarHBondContact O-OG 3.48Å; E366-S368 VanDerWaalsContact C-N 3.32Å; E366-S368 PolarHBondContact O-N 2.96Å; S368-W371 PolarHBondContact O-N 3.48Å; S368-I372 WeakPolarHBondContact O-CB 3.39Å; S368-I372 VanDerWaalsContact O-CG1 3.25Å; S368-I372 WeakPolarHBondContact O-CG1 3.19Å; S368-I372 PolarHBondContact O-N 2.9Å |
| 369 | S | 95.2 | Very high | 95.9 | Very high | 62 Ų | 62 | 103.7 Ų | 103.7 | 43% | 0.434 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -41.3 | 176 | 80.8 | 0 | 0 | 0 | 0 | 112.1 | A365 E366 I372 W373 | A365-S369 PolarHBondContact O-N 3.31Å; E366-S369 PolarHBondContact O-N 2.86Å; E366-S369 VanDerWaalsContact O-N 3.11Å; E366-S369 PolarHBondContact O-OG 3.25Å; S369-I372 PolarHBondContact O-N 3.46Å; S369-W373 WeakPolarHBondContact O-CB 3.32Å; S369-W373 PolarHBondContact O-N 3.09Å |
| 370 | R | 97.5 | Very high | 96.3 | Very high | 125 Ų | 125 | 102 Ų | 102 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 174.2 | -70 | 170.5 | 174.4 | -168.2 | 4.3 | 110.8 | E366 L367 L374 | E366-R370 WeakPolarHBondContact O-CB 3.15Å; E366-R370 WeakPolarHBondContact O-CG 3.49Å; E366-R370 PolarHBondContact O-N 3.36Å; E366-R370 IonicContact OE1-CZ 3.11Å; E366-R370 IonicContact OE1-NE 2.7Å; E366-R370 PolarHBondContact OE1-NE 3.18Å; E366-R370 IonicContact OE1-NH2 2.75Å; E366-R370 PolarHBondContact OE1-NH2 2.98Å; E366-R370 IonicContact OE2-CZ 3.85Å; E366-R370 IonicContact OE2-NE 2.66Å; E366-R370 PolarHBondContact OE2-NE 2.94Å; E366-R370 IonicContact OE2-NH1 2.9Å; E366-R370 IonicContact OE2-NH2 3.72Å; E366-R370 PolarHBondContact OE2-NH2 3.47Å; L367-R370 PolarHBondContact O-N 3Å; R370-L374 WeakPolarHBondContact O-CG 3.36Å; R370-L374 PolarHBondContact O-N 2.84Å |
| 371 | W | 97.3 | Very high | 96.6 | Very high | 160 Ų | 160 | 100 Ų | 100 | 61% | 0.606 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.6 | -48.6 | 174.8 | 177.8 | -98.8 | 0 | 0 | 0 | 112.5 | L367 S368 W373 L374 Q375 | L367-W371 WeakPolarHBondContact O-CB 3.31Å; L367-W371 PolarHBondContact O-N 2.81Å; S368-W371 PolarHBondContact O-N 3.48Å; W371-W373 VanDerWaalsContact C-N 3.27Å; W371-W373 PolarHBondContact O-N 3.34Å; W371-L374 WeakPolarHBondContact O-CB 3.4Å; W371-L374 PolarHBondContact O-N 2.69Å; W371-L374 VanDerWaalsContact O-N 3.08Å; W371-Q375 WeakPolarHBondContact O-CB 3.45Å; W371-Q375 PolarHBondContact O-N 2.81Å |
| 372 | I | 97.8 | Very high | 96.7 | Very high | 93 Ų | 93 | 99.8 Ų | 99.8 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 176.7 | -69.6 | 163.4 | 0 | 0 | 0 | 110.3 | S368 S369 Q375 L376 | S368-I372 WeakPolarHBondContact O-CB 3.39Å; S368-I372 VanDerWaalsContact O-CG1 3.25Å; S368-I372 WeakPolarHBondContact O-CG1 3.19Å; S368-I372 PolarHBondContact O-N 2.9Å; S369-I372 PolarHBondContact O-N 3.46Å; I372-Q375 PolarHBondContact O-N 3.48Å; I372-L376 HydrophobicContact CG2-CD1 4.08Å; I372-L376 WeakPolarHBondContact O-CB 3.39Å; I372-L376 VanDerWaalsContact O-CG 3.29Å; I372-L376 WeakPolarHBondContact O-CG 3.49Å; I372-L376 PolarHBondContact O-N 2.89Å |
| 373 | W | 97.5 | Very high | 96.9 | Very high | 147 Ų | 147 | 94 Ų | 94 | 56% | 0.557 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.9 | -46 | 172.5 | -175.7 | 98.5 | 0 | 0 | 0 | 112.1 | S369 W371 L376 R377 | S369-W373 WeakPolarHBondContact O-CB 3.32Å; S369-W373 PolarHBondContact O-N 3.09Å; W371-W373 VanDerWaalsContact C-N 3.27Å; W371-W373 PolarHBondContact O-N 3.34Å; W373-L376 PolarHBondContact O-N 3.48Å; W373-R377 HydrophobicContact CD2-CG 3.99Å; W373-R377 HydrophobicContact CE3-CG 3.95Å; W373-R377 HydrophobicContact CH2-CG 3.91Å; W373-R377 HydrophobicContact CZ2-CG 3.96Å; W373-R377 HydrophobicContact CZ3-CG 3.91Å; W373-R377 WeakPolarHBondContact O-CG 3.49Å; W373-R377 PolarHBondContact O-N 3.17Å |
| 374 | L | 98.3 | Very high | 97 | Very high | 84 Ų | 84 | 93.5 Ų | 93.5 | 44% | 0.44 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 176.2 | -76.5 | 168.9 | 0 | 0 | 0 | 111.8 | R370 W371 L376 R377 M378 | R370-L374 WeakPolarHBondContact O-CG 3.36Å; R370-L374 PolarHBondContact O-N 2.84Å; W371-L374 WeakPolarHBondContact O-CB 3.4Å; W371-L374 PolarHBondContact O-N 2.69Å; W371-L374 VanDerWaalsContact O-N 3.08Å; L374-L376 PolarHBondContact O-N 3.03Å; L374-R377 CarbonylContact O-C 3.58Å; L374-R377 PolarHBondContact O-N 3.44Å; L374-R377 VanDerWaalsContact O-N 3.12Å; L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 2.9Å |
| 375 | Q | 97.8 | Very high | 97 | Very high | 113 Ų | 113 | 91.5 Ų | 91.5 | 53% | 0.528 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 178.3 | -172.4 | 175.1 | -0.3 | 0 | 0 | 111.6 | W371 I372 M378 S379 | W371-Q375 WeakPolarHBondContact O-CB 3.45Å; W371-Q375 PolarHBondContact O-N 2.81Å; I372-Q375 PolarHBondContact O-N 3.48Å; Q375-M378 PolarHBondContact O-N 2.8Å; Q375-S379 PolarHBondContact O-N 2.86Å |
| 376 | L | 97.8 | Very high | 97.1 | Very high | 109 Ų | 109 | 95.5 Ų | 95.5 | 57% | 0.571 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.5 | -44.6 | 171.9 | -74 | 168.6 | 0 | 0 | 0 | 111.5 | I372 W373 L374 M378 S379 E380 | I372-L376 HydrophobicContact CG2-CD1 4.08Å; I372-L376 WeakPolarHBondContact O-CB 3.39Å; I372-L376 VanDerWaalsContact O-CG 3.29Å; I372-L376 WeakPolarHBondContact O-CG 3.49Å; I372-L376 PolarHBondContact O-N 2.89Å; W373-L376 PolarHBondContact O-N 3.48Å; L374-L376 PolarHBondContact O-N 3.03Å; L376-M378 PolarHBondContact O-N 2.85Å; L376-S379 PolarHBondContact O-N 3.31Å; L376-S379 PolarHBondContact O-OG 2.85Å; L376-E380 WeakPolarHBondContact O-CB 3.47Å; L376-E380 PolarHBondContact O-N 3.3Å |
| 377 | R | 97.1 | Very high | 97.1 | Very high | 88 Ų | 88 | 97.6 Ų | 97.6 | 33% | 0.332 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66 | -33.3 | 176.7 | -67.7 | -56.8 | 179.1 | -164.1 | -6.7 | 113.6 | W373 L374 E380 L381 | W373-R377 HydrophobicContact CD2-CG 3.99Å; W373-R377 HydrophobicContact CE3-CG 3.95Å; W373-R377 HydrophobicContact CH2-CG 3.91Å; W373-R377 HydrophobicContact CZ2-CG 3.96Å; W373-R377 HydrophobicContact CZ3-CG 3.91Å; W373-R377 WeakPolarHBondContact O-CG 3.49Å; W373-R377 PolarHBondContact O-N 3.17Å; L374-R377 CarbonylContact O-C 3.58Å; L374-R377 PolarHBondContact O-N 3.44Å; L374-R377 VanDerWaalsContact O-N 3.12Å; R377-E380 WeakPolarHBondContact CD-OE2 3.35Å; R377-E380 IonicContact CZ-OE2 3.76Å; R377-E380 IonicContact NE-OE2 3.11Å; R377-E380 IonicContact NH1-OE1 2.69Å; R377-E380 IonicContact NH1-OE2 2.8Å; R377-E380 PolarHBondContact NH1-OE2 2.87Å; R377-L381 VanDerWaalsContact O-CG 3.29Å; R377-L381 WeakPolarHBondContact O-CG 3.19Å; R377-L381 PolarHBondContact O-N 3.17Å; R377-L381 VanDerWaalsContact O-N 3.09Å |
| 378 | M | 97.6 | Very high | 97 | Very high | 113 Ų | 113 | 97.5 Ų | 97.5 | 56% | 0.557 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.8 | -53.4 | 171.7 | -71.9 | 175 | 62.1 | 0 | 0 | 109.9 | L374 Q375 L376 E380 L381 D382 | L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 2.9Å; Q375-M378 PolarHBondContact O-N 2.8Å; L376-M378 PolarHBondContact O-N 2.85Å; M378-E380 VanDerWaalsContact C-N 3.26Å; M378-E380 PolarHBondContact O-N 2.95Å; M378-L381 CarbonylContact O-C 3.6Å; M378-L381 WeakPolarHBondContact O-CA 3.23Å; M378-L381 WeakPolarHBondContact O-CB 3.26Å; M378-L381 PolarHBondContact O-N 3Å; M378-D382 VanDerWaalsContact O-CG 3.32Å; M378-D382 PolarHBondContact O-N 3.37Å; M378-D382 VanDerWaalsContact O-OD2 3.11Å |
| 379 | S | 96 | Very high | 97.1 | Very high | 68 Ų | 68 | 99 Ų | 99 | 48% | 0.476 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.1 | -33.4 | 177.5 | 72.1 | 0 | 0 | 0 | 0 | 114 | Q375 L376 G383 | Q375-S379 PolarHBondContact O-N 2.86Å; L376-S379 PolarHBondContact O-N 3.31Å; L376-S379 PolarHBondContact O-OG 2.85Å; S379-G383 PolarHBondContact O-N 3.06Å |
| 380 | E | 97.6 | Very high | 97.1 | Very high | 63 Ų | 63 | 100.4 Ų | 100.4 | 29% | 0.294 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.8 | -36.4 | 173.1 | -174.8 | -172.1 | -173.6 | 0 | 0 | 112.1 | L376 R377 M378 R384 | L376-E380 WeakPolarHBondContact O-CB 3.47Å; L376-E380 PolarHBondContact O-N 3.3Å; R377-E380 WeakPolarHBondContact CD-OE2 3.35Å; R377-E380 IonicContact CZ-OE2 3.76Å; R377-E380 IonicContact NE-OE2 3.11Å; R377-E380 IonicContact NH1-OE1 2.69Å; R377-E380 IonicContact NH1-OE2 2.8Å; R377-E380 PolarHBondContact NH1-OE2 2.87Å; M378-E380 VanDerWaalsContact C-N 3.26Å; M378-E380 PolarHBondContact O-N 2.95Å; E380-R384 VanDerWaalsContact O-CD 3.27Å; E380-R384 WeakPolarHBondContact O-CD 3.21Å; E380-R384 WeakPolarHBondContact O-CG 3.42Å; E380-R384 PolarHBondContact O-N 2.83Å; E380-R384 IonicContact OE1-CZ 2.72Å; E380-R384 VanDerWaalsContact OE1-CZ 3.22Å; E380-R384 IonicContact OE1-NH1 2.71Å; E380-R384 PolarHBondContact OE1-NH1 3.4Å; E380-R384 IonicContact OE1-NH2 3.13Å; E380-R384 PolarHBondContact OE1-NH2 3.12Å |
| 381 | L | 97.8 | Very high | 97 | Very high | 94 Ų | 94 | 97.8 Ų | 97.8 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.8 | -42.2 | 175.5 | -72 | 170.1 | 0 | 0 | 0 | 111.8 | R377 M378 R384 I385 | R377-L381 VanDerWaalsContact O-CG 3.29Å; R377-L381 WeakPolarHBondContact O-CG 3.19Å; R377-L381 PolarHBondContact O-N 3.17Å; R377-L381 VanDerWaalsContact O-N 3.09Å; M378-L381 CarbonylContact O-C 3.6Å; M378-L381 WeakPolarHBondContact O-CA 3.23Å; M378-L381 WeakPolarHBondContact O-CB 3.26Å; M378-L381 PolarHBondContact O-N 3Å; L381-R384 CarbonylContact O-C 3.57Å; L381-R384 WeakPolarHBondContact O-CA 3.28Å; L381-R384 WeakPolarHBondContact O-CB 3.29Å; L381-R384 PolarHBondContact O-N 3.19Å; L381-R384 VanDerWaalsContact O-N 3.07Å; L381-I385 WeakPolarHBondContact O-CG1 3.32Å; L381-I385 PolarHBondContact O-N 3.3Å |
| 382 | D | 97.7 | Very high | 96.7 | Very high | 85 Ų | 85 | 94.5 Ų | 94.5 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 177.5 | -62.8 | -38.5 | 0 | 0 | 0 | 110.5 | M378 R384 I385 E386 | M378-D382 VanDerWaalsContact O-CG 3.32Å; M378-D382 PolarHBondContact O-N 3.37Å; M378-D382 VanDerWaalsContact O-OD2 3.11Å; D382-R384 PolarHBondContact O-N 2.91Å; D382-R384 VanDerWaalsContact O-N 3.15Å; D382-I385 WeakPolarHBondContact O-CA 3.32Å; D382-I385 WeakPolarHBondContact O-CB 3.47Å; D382-I385 PolarHBondContact O-N 2.91Å; D382-E386 WeakPolarHBondContact O-CG 3.44Å; D382-E386 PolarHBondContact O-N 3.15Å |
| 383 | G | 96.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 95.8 Ų | 95.8 | 22% | 0.216 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -61.5 | -23.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S379 Q387 | S379-G383 PolarHBondContact O-N 3.06Å; G383-Q387 WeakPolarHBondContact O-CG 3.46Å; G383-Q387 PolarHBondContact O-N 3.33Å; G383-Q387 PolarHBondContact O-NE2 3.49Å |
| 384 | R | 97 | Very high | 96 | Very high | 86 Ų | 86 | 93 Ų | 93 | 33% | 0.325 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -80.1 | -36.6 | 170.7 | -75.8 | 165.9 | 174.4 | 164.6 | 4 | 112.4 | E380 L381 D382 Q387 L388 Y536 | E380-R384 VanDerWaalsContact O-CD 3.27Å; E380-R384 WeakPolarHBondContact O-CD 3.21Å; E380-R384 WeakPolarHBondContact O-CG 3.42Å; E380-R384 PolarHBondContact O-N 2.83Å; E380-R384 IonicContact OE1-CZ 2.72Å; E380-R384 VanDerWaalsContact OE1-CZ 3.22Å; E380-R384 IonicContact OE1-NH1 2.71Å; E380-R384 PolarHBondContact OE1-NH1 3.4Å; E380-R384 IonicContact OE1-NH2 3.13Å; E380-R384 PolarHBondContact OE1-NH2 3.12Å; L381-R384 CarbonylContact O-C 3.57Å; L381-R384 WeakPolarHBondContact O-CA 3.28Å; L381-R384 WeakPolarHBondContact O-CB 3.29Å; L381-R384 PolarHBondContact O-N 3.19Å; L381-R384 VanDerWaalsContact O-N 3.07Å; D382-R384 PolarHBondContact O-N 2.91Å; D382-R384 VanDerWaalsContact O-N 3.15Å; R384-Q387 PolarHBondContact O-N 2.94Å; R384-L388 WeakPolarHBondContact O-CG 3.32Å; R384-L388 PolarHBondContact O-N 3.34Å; R384-Y536 VanDerWaalsContact CZ-OH 3.26Å; R384-Y536 PolarHBondContact NH1-OH 2.94Å; R384-Y536 PolarHBondContact NH2-OH 3.45Å; R384-Y536 VanDerWaalsContact NH2-OH 3.13Å |
| 385 | I | 96.4 | Very high | 95.5 | Very high | 98 Ų | 98 | 92.3 Ų | 92.3 | 50% | 0.503 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 174.2 | -69.4 | 162.6 | 0 | 0 | 0 | 109.2 | L381 D382 Q387 L388 V389 | L381-I385 WeakPolarHBondContact O-CG1 3.32Å; L381-I385 PolarHBondContact O-N 3.3Å; D382-I385 WeakPolarHBondContact O-CA 3.32Å; D382-I385 WeakPolarHBondContact O-CB 3.47Å; D382-I385 PolarHBondContact O-N 2.91Å; I385-Q387 PolarHBondContact O-N 3.13Å; I385-L388 PolarHBondContact O-N 3.49Å; I385-L388 VanDerWaalsContact O-N 3.13Å; I385-V389 HydrophobicContact CG2-CG2 4.38Å; I385-V389 WeakPolarHBondContact O-CG2 3.34Å; I385-V389 PolarHBondContact O-N 3.22Å |
| 386 | E | 97.1 | Very high | 94.8 | Very high | 141 Ų | 141 | 95 Ų | 95 | 66% | 0.659 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -56.4 | -46.1 | 173.3 | -70.8 | -176 | 165.2 | 0 | 0 | 112.6 | D382 L388 V389 E390 | D382-E386 WeakPolarHBondContact O-CG 3.44Å; D382-E386 PolarHBondContact O-N 3.15Å; E386-L388 VanDerWaalsContact C-N 3.3Å; E386-L388 PolarHBondContact O-N 3.07Å; E386-V389 PolarHBondContact O-N 2.62Å; E386-E390 PolarHBondContact O-N 2.84Å |
| 387 | Q | 96.1 | Very high | 94.1 | Very high | 135 Ų | 135 | 94.2 Ų | 94.2 | 63% | 0.631 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -59.2 | -39.5 | 175.9 | -78.4 | 167.6 | 57.3 | 0 | 0 | 112.4 | G383 R384 I385 L391 | G383-Q387 WeakPolarHBondContact O-CG 3.46Å; G383-Q387 PolarHBondContact O-N 3.33Å; G383-Q387 PolarHBondContact O-NE2 3.49Å; R384-Q387 PolarHBondContact O-N 2.94Å; I385-Q387 PolarHBondContact O-N 3.13Å; Q387-L391 WeakPolarHBondContact O-CB 3.47Å; Q387-L391 PolarHBondContact O-N 2.85Å |
| 388 | L | 96.1 | Very high | 93.3 | Very high | 104 Ų | 104 | 92.8 Ų | 92.8 | 55% | 0.545 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.8 | -35.6 | 175.7 | -70.9 | 171.6 | 0 | 0 | 0 | 112.4 | R384 I385 E386 H392 | R384-L388 WeakPolarHBondContact O-CG 3.32Å; R384-L388 PolarHBondContact O-N 3.34Å; I385-L388 PolarHBondContact O-N 3.49Å; I385-L388 VanDerWaalsContact O-N 3.13Å; E386-L388 VanDerWaalsContact C-N 3.3Å; E386-L388 PolarHBondContact O-N 3.07Å; L388-H392 WeakPolarHBondContact O-CB 3.5Å; L388-H392 PolarHBondContact O-N 3.24Å |
| 389 | V | 96.6 | Very high | 92.4 | Very high | 89 Ų | 89 | 94.2 Ų | 94.2 | 54% | 0.539 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 175.1 | 168.6 | 0 | 0 | 0 | 0 | 111 | I385 E386 H392 K393 | I385-V389 HydrophobicContact CG2-CG2 4.38Å; I385-V389 WeakPolarHBondContact O-CG2 3.34Å; I385-V389 PolarHBondContact O-N 3.22Å; E386-V389 PolarHBondContact O-N 2.62Å; V389-H392 WeakPolarHBondContact O-CB 3.36Å; V389-H392 PolarHBondContact O-N 2.9Å; V389-K393 WeakPolarHBondContact O-CB 3.38Å; V389-K393 PolarHBondContact O-N 3.28Å |
| 390 | E | 95.9 | Very high | 91.1 | Very high | 93 Ų | 93 | 92.3 Ų | 92.3 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70 | -36.9 | 177.5 | -169.3 | 58 | -134.3 | 0 | 0 | 111.7 | E386 H392 K393 H394 | E386-E390 PolarHBondContact O-N 2.84Å; E390-H392 VanDerWaalsContact C-N 3.3Å; E390-H392 PolarHBondContact O-N 2.94Å; E390-K393 PolarHBondContact O-N 3.49Å; E390-K393 VanDerWaalsContact OE1-CE 3.23Å; E390-K393 WeakPolarHBondContact OE1-CE 3.43Å; E390-K393 IonicContact OE1-NZ 2.74Å; E390-K393 PolarHBondContact OE1-NZ 2.66Å; E390-K393 WeakPolarHBondContact OE2-CD 3.34Å; E390-K393 WeakPolarHBondContact OE2-CE 3.45Å; E390-K393 IonicContact OE2-NZ 2.6Å; E390-K393 PolarHBondContact OE2-NZ 2.7Å; E390-H394 WeakPolarHBondContact O-CB 3.44Å; E390-H394 PolarHBondContact O-N 3.48Å |
| 391 | L | 94.2 | Very high | 89.6 | Confident | 70 Ų | 70 | 100.4 Ų | 100.4 | 37% | 0.366 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 170.7 | 178.3 | 146.5 | 0 | 0 | 0 | 111.6 | Q387 H394 I395 | Q387-L391 WeakPolarHBondContact O-CB 3.47Å; Q387-L391 PolarHBondContact O-N 2.85Å; L391-H394 PolarHBondContact O-N 3.04Å; L391-I395 HydrophobicContact CD2-CD1 3.6Å; L391-I395 HydrophobicContact CD2-CG1 4.49Å; L391-I395 HydrophobicContact CG-CD1 4.34Å; L391-I395 WeakPolarHBondContact O-CB 3.24Å; L391-I395 WeakPolarHBondContact O-CG1 3.41Å; L391-I395 PolarHBondContact O-N 3.37Å |
| 392 | H | 91.1 | Very high | 88.3 | Confident | 91 Ų | 91 | 99.6 Ų | 99.6 | 42% | 0.421 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.5 | -40.6 | 175.5 | -178.8 | -163.2 | 0 | 0 | 0 | 112 | L388 V389 E390 I395 R396 | L388-H392 WeakPolarHBondContact O-CB 3.5Å; L388-H392 PolarHBondContact O-N 3.24Å; V389-H392 WeakPolarHBondContact O-CB 3.36Å; V389-H392 PolarHBondContact O-N 2.9Å; E390-H392 VanDerWaalsContact C-N 3.3Å; E390-H392 PolarHBondContact O-N 2.94Å; H392-I395 PolarHBondContact O-N 2.87Å; H392-R396 PolarHBondContact CD2-NE 2.98Å; H392-R396 VanDerWaalsContact CE1-CZ 3.43Å; H392-R396 PolarHBondContact CE1-NE 2.86Å; H392-R396 PolarHBondContact CE1-NH2 3.43Å; H392-R396 PolarHBondContact NE2-NE 2.85Å; H392-R396 PolarHBondContact NE2-NH2 2.98Å; H392-R396 WeakPolarHBondContact O-CB 3.32Å; H392-R396 VanDerWaalsContact O-CG 3.31Å; H392-R396 WeakPolarHBondContact O-CG 3.45Å; H392-R396 PolarHBondContact O-N 2.88Å |
| 393 | K | 93.4 | Very high | 87.3 | Confident | 120 Ų | 120 | 98.8 Ų | 98.8 | 52% | 0.522 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 172.1 | 177.6 | 173.7 | 144.1 | -153.8 | 0 | 111.5 | V389 E390 R396 S397 | V389-K393 WeakPolarHBondContact O-CB 3.38Å; V389-K393 PolarHBondContact O-N 3.28Å; E390-K393 PolarHBondContact O-N 3.49Å; E390-K393 VanDerWaalsContact OE1-CE 3.23Å; E390-K393 WeakPolarHBondContact OE1-CE 3.43Å; E390-K393 IonicContact OE1-NZ 2.74Å; E390-K393 PolarHBondContact OE1-NZ 2.66Å; E390-K393 WeakPolarHBondContact OE2-CD 3.34Å; E390-K393 WeakPolarHBondContact OE2-CE 3.45Å; E390-K393 IonicContact OE2-NZ 2.6Å; E390-K393 PolarHBondContact OE2-NZ 2.7Å; K393-R396 WeakPolarHBondContact O-CB 3.43Å; K393-R396 PolarHBondContact O-N 3.33Å; K393-S397 PolarHBondContact O-N 3.4Å; K393-S397 PolarHBondContact O-OG 3.21Å |
| 394 | H | 88.6 | Confident | 86.5 | Confident | 88 Ų | 88 | 102.5 Ų | 102.5 | 41% | 0.407 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 172.9 | -174.3 | 83.7 | 0 | 0 | 0 | 112.6 | E390 L391 R396 S397 T398 F530 | E390-H394 WeakPolarHBondContact O-CB 3.44Å; E390-H394 PolarHBondContact O-N 3.48Å; L391-H394 PolarHBondContact O-N 3.04Å; H394-R396 VanDerWaalsContact C-N 3.3Å; H394-R396 PolarHBondContact O-N 2.97Å; H394-S397 PolarHBondContact O-N 3.11Å; H394-S397 PolarHBondContact O-OG 3.34Å; H394-T398 WeakPolarHBondContact O-CB 3.3Å; H394-T398 WeakPolarHBondContact O-CG2 3.38Å; H394-T398 PolarHBondContact O-N 2.86Å; H394-T398 PolarHBondContact O-OG1 2.92Å; H394-F530 AromaticContact CD2-CE1 3.98Å; H394-F530 AromaticContact CD2-CZ 3.65Å; H394-F530 AromaticContact NE2-CE1 3.99Å; H394-F530 AromaticContact NE2-CZ 3.7Å |
| 395 | I | 86.3 | Confident | 85.3 | Confident | 69 Ų | 69 | 99.4 Ų | 99.4 | 35% | 0.354 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.7 | -34.5 | 173.7 | -74 | 173.1 | 0 | 0 | 0 | 111.5 | L391 H392 K399 F530 | L391-I395 HydrophobicContact CD2-CD1 3.6Å; L391-I395 HydrophobicContact CD2-CG1 4.49Å; L391-I395 HydrophobicContact CG-CD1 4.34Å; L391-I395 WeakPolarHBondContact O-CB 3.24Å; L391-I395 WeakPolarHBondContact O-CG1 3.41Å; L391-I395 PolarHBondContact O-N 3.37Å; H392-I395 PolarHBondContact O-N 2.87Å; I395-K399 PolarHBondContact O-N 3.46Å; I395-F530 HydrophobicContact CD1-CD2 4.26Å; I395-F530 HydrophobicContact CG1-CD2 3.98Å; I395-F530 HydrophobicContact CG1-CE2 3.99Å |
| 396 | R | 84.4 | Confident | 83.7 | Confident | 171 Ų | 171 | 103 Ų | 103 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69 | -46 | 174.7 | -74.6 | 170.9 | 175.2 | -165.2 | -7 | 112 | H392 K393 H394 K399 | H392-R396 PolarHBondContact CD2-NE 2.98Å; H392-R396 VanDerWaalsContact CE1-CZ 3.43Å; H392-R396 PolarHBondContact CE1-NE 2.86Å; H392-R396 PolarHBondContact CE1-NH2 3.43Å; H392-R396 PolarHBondContact NE2-NE 2.85Å; H392-R396 PolarHBondContact NE2-NH2 2.98Å; H392-R396 WeakPolarHBondContact O-CB 3.32Å; H392-R396 VanDerWaalsContact O-CG 3.31Å; H392-R396 WeakPolarHBondContact O-CG 3.45Å; H392-R396 PolarHBondContact O-N 2.88Å; K393-R396 WeakPolarHBondContact O-CB 3.43Å; K393-R396 PolarHBondContact O-N 3.33Å; H394-R396 VanDerWaalsContact C-N 3.3Å; H394-R396 PolarHBondContact O-N 2.97Å; R396-K399 VanDerWaalsContact O-CB 3.23Å; R396-K399 WeakPolarHBondContact O-CB 3.36Å; R396-K399 PolarHBondContact O-N 2.77Å |
| 397 | S | 83.1 | Confident | 81.7 | Confident | 91 Ų | 91 | 99.2 Ų | 99.2 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.8 | -35.1 | 179.4 | 62.8 | 0 | 0 | 0 | 0 | 113 | K393 H394 K399 | K393-S397 PolarHBondContact O-N 3.4Å; K393-S397 PolarHBondContact O-OG 3.21Å; H394-S397 PolarHBondContact O-N 3.11Å; H394-S397 PolarHBondContact O-OG 3.34Å; S397-K399 PolarHBondContact O-N 3.43Å |
| 398 | T | 79.6 | Confident | 79.8 | Confident | 58 Ų | 58 | 100.4 Ų | 100.4 | 36% | 0.356 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 1.7 | 173.8 | 59.9 | 0 | 0 | 0 | 0 | 114.2 | H394 G400 | H394-T398 WeakPolarHBondContact O-CB 3.3Å; H394-T398 WeakPolarHBondContact O-CG2 3.38Å; H394-T398 PolarHBondContact O-N 2.86Å; H394-T398 PolarHBondContact O-OG1 2.92Å; T398-G400 PolarHBondContact O-N 3.41Å |
| 399 | K | 78.9 | Confident | 77.6 | Confident | 143 Ų | 143 | 100.4 Ų | 100.4 | 62% | 0.622 | 51% | 0.51 | S | S | * | . | trans | -72.7 | 71.1 | 172.8 | -169.4 | -172.7 | 172.8 | -172.9 | 0 | 110.6 | I395 R396 S397 | I395-K399 PolarHBondContact O-N 3.46Å; R396-K399 VanDerWaalsContact O-CB 3.23Å; R396-K399 WeakPolarHBondContact O-CB 3.36Å; R396-K399 PolarHBondContact O-N 2.77Å; S397-K399 PolarHBondContact O-N 3.43Å | ||
| 400 | G | 68.2 | Low | 75.8 | Confident | 28 Ų | 28 | 100.9 Ų | 100.9 | 29% | 0.289 | 51% | 0.509 | S | S | . | . | trans | -53.2 | 147.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | T398 | T398-G400 PolarHBondContact O-N 3.41Š| ||
| 401 | R | 66.2 | Low | 74.2 | Confident | 233 Ų | 233 | 101 Ų | 101 | 88% | 0.879 | 52% | 0.517 | S | S | * | . | trans | -52.7 | 138 | -177.1 | -65.4 | -169.6 | -74 | -130 | 3.4 | 111.7 | ||||
| 402 | V | 71.8 | Confident | 72.3 | Confident | 77 Ų | 77 | 103 Ų | 103 | 47% | 0.467 | 53% | 0.528 | S | S | . | . | trans | -104.2 | 123.9 | 172.7 | 177.7 | 0 | 0 | 0 | 0 | 107.7 | L404 M521 | V402-L404 HydrophobicContact CG1-CD2 4.28Å; V402-M521 HydrophobicContact CG1-CG 4.16Å; V402-M521 HydrophobicContact CG1-SD 4.11Å | ||
| 403 | V | 76.4 | Confident | 71.1 | Confident | 69 Ų | 69 | 107.4 Ų | 107.4 | 42% | 0.418 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 109.5 | 177.9 | -175 | 0 | 0 | 0 | 0 | 108.4 | V522 S523 | V403-V522 HydrophobicContact CG1-CB 4.4Å; V403-V522 PolarHBondContact O-N 3.04Å; V403-S523 PolarHBondContact N-O 2.93Å; V403-S523 PolarHBondContact O-N 2.92Å |
| 404 | L | 78.4 | Confident | 69.7 | Low | 98 Ų | 98 | 105.8 Ų | 105.8 | 51% | 0.513 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 156 | 168 | -58.8 | -178.9 | 0 | 0 | 0 | 109.8 | V402 M521 | V402-L404 HydrophobicContact CG1-CD2 4.28Å; L404-M521 HydrophobicContact CD2-CB 4.46Å |
| 405 | A | 73.4 | Confident | 68.7 | Low | 21 Ų | 21 | 105.2 Ų | 105.2 | 17% | 0.174 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 147.2 | 168 | 0 | 0 | 0 | 0 | 0 | 110.8 | R519 P520 V522 | A405-R519 WeakPolarHBondContact O-CD 3.31Å; A405-P520 HydrophobicContact CB-CG 3.84Å; A405-P520 WeakPolarHBondContact CB-O 3.21Å; A405-P520 PolarHBondContact N-O 3.45Å; A405-V522 HydrophobicContact CB-CG2 3.78Å |
| 406 | Q | 62.3 | Low | 67.8 | Low | 173 Ų | 173 | 107.7 Ų | 107.7 | 81% | 0.808 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 140.8 | 164.8 | -67.4 | -178 | -6.4 | 0 | 0 | 108.7 | Q408 | Q406-Q408 PolarHBondContact O-N 3.42Å; Q406-Q408 VanDerWaalsContact O-N 3.15Å |
| 407 | S | 54.9 | Low | 66.9 | Low | 63 Ų | 63 | 105.2 Ų | 105.2 | 44% | 0.441 | 54% | 0.54 | S | S | . | . | trans | -74.5 | 102 | 165.8 | 43.7 | 0 | 0 | 0 | 0 | 108.2 | P409 R519 | S407-P409 WeakPolarHBondContact O-CD 3.32Å; S407-R519 VanDerWaalsContact OG-CZ 3.23Å; S407-R519 PolarHBondContact OG-NH1 2.69Å; S407-R519 VanDerWaalsContact OG-NH1 3.15Å; S407-R519 PolarHBondContact OG-NH2 2.89Å; S407-R519 VanDerWaalsContact OG-NH2 3.13Å | ||
| 408 | Q | 55.8 | Low | 66.1 | Low | 159 Ų | 159 | 104.5 Ų | 104.5 | 74% | 0.743 | 53% | 0.532 | S | S | * | . | trans | -65.3 | 111.3 | 142.8 | -128.5 | 77.2 | 21.7 | 0 | 0 | 105.8 | Q406 L410 | Q406-Q408 PolarHBondContact O-N 3.42Å; Q406-Q408 VanDerWaalsContact O-N 3.15Å; Q408-L410 PolarHBondContact O-N 3.12Å | ||
| 409 | P | 50.9 | Low | 65.4 | Low | 105 Ų | 105 | 106.1 Ų | 106.1 | 68% | 0.682 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -61 | 133.7 | 154.5 | 29.4 | -32.3 | 0 | 0 | 0 | 106.6 | S407 T411 | S407-P409 WeakPolarHBondContact O-CD 3.32Å; P409-T411 PolarHBondContact O-N 3.42Å |
| 410 | L | 57.7 | Low | 64.7 | Low | 99 Ų | 99 | 105 Ų | 105 | 52% | 0.518 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 129.1 | 167.3 | -71.2 | 172.5 | 0 | 0 | 0 | 107.1 | Q408 Q414 I415 | Q408-L410 PolarHBondContact O-N 3.12Å; L410-Q414 HydrophobicContact CB-CB 4.33Å; L410-Q414 HydrophobicContact CD2-CB 4.42Å; L410-I415 HydrophobicContact CB-CD1 4.27Å; L410-I415 HydrophobicContact CB-CG1 3.7Å; L410-I415 HydrophobicContact CD1-CG1 4.46Å |
| 411 | T | 61.7 | Low | 64.6 | Low | 96 Ų | 96 | 113.6 Ų | 113.6 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 142 | 174.5 | -50.7 | 0 | 0 | 0 | 0 | 107.9 | P409 R413 Q414 I415 | P409-T411 PolarHBondContact O-N 3.42Å; T411-R413 PolarHBondContact O-N 2.82Å; T411-Q414 WeakPolarHBondContact O-CA 3.18Å; T411-Q414 VanDerWaalsContact O-CB 3.28Å; T411-Q414 WeakPolarHBondContact O-CB 3.37Å; T411-Q414 PolarHBondContact O-N 2.95Å; T411-I415 PolarHBondContact O-N 3.47Å |
| 412 | D | 56.1 | Low | 64.1 | Low | 111 Ų | 111 | 109.6 Ų | 109.6 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -53.9 | -35.5 | -169.2 | -155.9 | 30.9 | 0 | 0 | 0 | 113.4 | Q414 I415 Q416 | D412-Q414 VanDerWaalsContact C-N 3.32Å; D412-Q414 PolarHBondContact O-N 2.7Å; D412-I415 WeakPolarHBondContact O-CB 3.44Å; D412-I415 PolarHBondContact O-N 2.63Å; D412-I415 VanDerWaalsContact O-N 3.08Å; D412-Q416 PolarHBondContact O-N 3.13Å |
| 413 | R | 64.5 | Low | 63.3 | Low | 183 Ų | 183 | 112.7 Ų | 112.7 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -57.7 | -35.6 | 171.4 | -166.9 | 177.4 | -172.3 | -179.7 | 4 | 114.3 | T411 Q417 | T411-R413 PolarHBondContact O-N 2.82Å; R413-Q417 WeakPolarHBondContact O-CB 3.14Å; R413-Q417 VanDerWaalsContact O-CG 3.24Å; R413-Q417 WeakPolarHBondContact O-CG 3.4Å; R413-Q417 PolarHBondContact O-N 3.08Å |
| 414 | Q | 64.4 | Low | 62.3 | Low | 87 Ų | 87 | 112.8 Ų | 112.8 | 41% | 0.407 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -73.6 | -35.9 | 174.5 | -61.9 | 176.4 | -45.6 | 0 | 0 | 111.4 | L410 T411 D412 Q417 T418 | L410-Q414 HydrophobicContact CB-CB 4.33Å; L410-Q414 HydrophobicContact CD2-CB 4.42Å; T411-Q414 WeakPolarHBondContact O-CA 3.18Å; T411-Q414 VanDerWaalsContact O-CB 3.28Å; T411-Q414 WeakPolarHBondContact O-CB 3.37Å; T411-Q414 PolarHBondContact O-N 2.95Å; D412-Q414 VanDerWaalsContact C-N 3.32Å; D412-Q414 PolarHBondContact O-N 2.7Å; Q414-Q417 PolarHBondContact O-N 2.97Å; Q414-T418 WeakPolarHBondContact O-CB 3.1Å; Q414-T418 PolarHBondContact O-N 3.48Å; Q414-T418 PolarHBondContact O-OG1 2.84Å |
| 415 | I | 68.5 | Low | 60.9 | Low | 76 Ų | 76 | 110.9 Ų | 110.9 | 39% | 0.39 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63 | -49.4 | 174 | -58.8 | 176 | 0 | 0 | 0 | 109.1 | L410 T411 D412 Q417 T418 L419 | L410-I415 HydrophobicContact CB-CD1 4.27Å; L410-I415 HydrophobicContact CB-CG1 3.7Å; L410-I415 HydrophobicContact CD1-CG1 4.46Å; T411-I415 PolarHBondContact O-N 3.47Å; D412-I415 WeakPolarHBondContact O-CB 3.44Å; D412-I415 PolarHBondContact O-N 2.63Å; D412-I415 VanDerWaalsContact O-N 3.08Å; I415-Q417 PolarHBondContact O-N 3.36Å; I415-T418 PolarHBondContact O-N 3.45Å; I415-L419 WeakPolarHBondContact O-CB 3.35Å; I415-L419 PolarHBondContact O-N 3.49Å |
| 416 | Q | 66.2 | Low | 59.9 | Low | 120 Ų | 120 | 118.2 Ų | 118.2 | 56% | 0.561 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -57.2 | -44.2 | 173.9 | -71 | 178.9 | -25.6 | 0 | 0 | 112.7 | D412 L419 M420 | D412-Q416 PolarHBondContact O-N 3.13Å; Q416-L419 PolarHBondContact O-N 3.32Å; Q416-M420 VanDerWaalsContact O-CB 3.26Å; Q416-M420 WeakPolarHBondContact O-CB 3.45Å; Q416-M420 WeakPolarHBondContact O-CG 3.39Å; Q416-M420 PolarHBondContact O-N 2.89Å |
| 417 | Q | 66.3 | Low | 59 | Low | 120 Ų | 120 | 115.2 Ų | 115.2 | 56% | 0.561 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.9 | -38.2 | 177.2 | -79.3 | 174.4 | -21.5 | 0 | 0 | 113.2 | R413 Q414 I415 R421 | R413-Q417 WeakPolarHBondContact O-CB 3.14Å; R413-Q417 VanDerWaalsContact O-CG 3.24Å; R413-Q417 WeakPolarHBondContact O-CG 3.4Å; R413-Q417 PolarHBondContact O-N 3.08Å; Q414-Q417 PolarHBondContact O-N 2.97Å; I415-Q417 PolarHBondContact O-N 3.36Å; Q417-R421 WeakPolarHBondContact O-CB 3.38Å; Q417-R421 PolarHBondContact O-N 3.3Å |
| 418 | T | 66.9 | Low | 58 | Low | 76 Ų | 76 | 118.4 Ų | 118.4 | 47% | 0.466 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.8 | -44.1 | 175.7 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | Q414 I415 R421 E422 | Q414-T418 WeakPolarHBondContact O-CB 3.1Å; Q414-T418 PolarHBondContact O-N 3.48Å; Q414-T418 PolarHBondContact O-OG1 2.84Å; I415-T418 PolarHBondContact O-N 3.45Å; T418-R421 CarbonylContact O-C 3.58Å; T418-R421 WeakPolarHBondContact O-CA 3.36Å; T418-R421 WeakPolarHBondContact O-CB 3.42Å; T418-R421 PolarHBondContact O-N 3.1Å; T418-R421 VanDerWaalsContact O-N 3.1Å; T418-E422 PolarHBondContact O-N 3.19Å |
| 419 | L | 64.6 | Low | 57.1 | Low | 91 Ų | 91 | 116.7 Ų | 116.7 | 48% | 0.476 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.8 | -39.7 | 179 | -149.4 | 167.3 | 0 | 0 | 0 | 111.1 | I415 Q416 R421 E422 M423 | I415-L419 WeakPolarHBondContact O-CB 3.35Å; I415-L419 PolarHBondContact O-N 3.49Å; Q416-L419 PolarHBondContact O-N 3.32Å; L419-R421 VanDerWaalsContact C-N 3.33Å; L419-R421 PolarHBondContact O-N 3.44Å; L419-E422 PolarHBondContact O-N 3.02Å; L419-M423 HydrophobicContact CD2-CG 4.08Å; L419-M423 HydrophobicContact CD2-SD 3.68Å; L419-M423 WeakPolarHBondContact O-CB 3.16Å; L419-M423 WeakPolarHBondContact O-CG 3.46Å; L419-M423 PolarHBondContact O-N 2.91Å |
| 420 | M | 63.9 | Low | 56.6 | Low | 121 Ų | 121 | 117.1 Ų | 117.1 | 60% | 0.596 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.5 | -35.5 | 170.5 | -76.1 | -101.6 | 57.2 | 0 | 0 | 112.8 | Q416 A424 | Q416-M420 VanDerWaalsContact O-CB 3.26Å; Q416-M420 WeakPolarHBondContact O-CB 3.45Å; Q416-M420 WeakPolarHBondContact O-CG 3.39Å; Q416-M420 PolarHBondContact O-N 2.89Å; M420-A424 WeakPolarHBondContact O-CB 3.49Å; M420-A424 PolarHBondContact O-N 2.93Å |
| 421 | R | 65.8 | Low | 56 | Low | 207 Ų | 207 | 117.7 Ų | 117.7 | 78% | 0.781 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -71 | -37.1 | 174.9 | 178.4 | 174.4 | -77.8 | -149.8 | -5.2 | 112.4 | Q417 T418 L419 A424 | Q417-R421 WeakPolarHBondContact O-CB 3.38Å; Q417-R421 PolarHBondContact O-N 3.3Å; T418-R421 CarbonylContact O-C 3.58Å; T418-R421 WeakPolarHBondContact O-CA 3.36Å; T418-R421 WeakPolarHBondContact O-CB 3.42Å; T418-R421 PolarHBondContact O-N 3.1Å; T418-R421 VanDerWaalsContact O-N 3.1Å; L419-R421 VanDerWaalsContact C-N 3.33Å; L419-R421 PolarHBondContact O-N 3.44Å; R421-A424 PolarHBondContact O-N 3.24Å |
| 422 | E | 55.3 | Low | 55.1 | Low | 150 Ų | 150 | 119.3 Ų | 119.3 | 70% | 0.701 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -64.5 | -46 | 170.7 | -76.4 | -174.6 | 116.1 | 0 | 0 | 111.3 | T418 L419 A424 G425 | T418-E422 PolarHBondContact O-N 3.19Å; L419-E422 PolarHBondContact O-N 3.02Å; E422-A424 VanDerWaalsContact C-N 3.25Å; E422-A424 PolarHBondContact O-N 3.14Å; E422-G425 PolarHBondContact O-N 3.17Å |
| 423 | M | 55.3 | Low | 54.5 | Low | 142 Ų | 142 | 117.6 Ų | 117.6 | 70% | 0.7 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -65.9 | -24.3 | 178.3 | -74.3 | -178.8 | 63.2 | 0 | 0 | 113.9 | L419 G425 | L419-M423 HydrophobicContact CD2-CG 4.08Å; L419-M423 HydrophobicContact CD2-SD 3.68Å; L419-M423 WeakPolarHBondContact O-CB 3.16Å; L419-M423 WeakPolarHBondContact O-CG 3.46Å; L419-M423 PolarHBondContact O-N 2.91Å; M423-G425 PolarHBondContact O-N 3.32Å |
| 424 | A | 55.6 | Low | 53.6 | Low | 71 Ų | 71 | 114.5 Ų | 114.5 | 59% | 0.587 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | 0.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | M420 R421 E422 L426 | M420-A424 WeakPolarHBondContact O-CB 3.49Å; M420-A424 PolarHBondContact O-N 2.93Å; R421-A424 PolarHBondContact O-N 3.24Å; E422-A424 VanDerWaalsContact C-N 3.25Å; E422-A424 PolarHBondContact O-N 3.14Å; A424-L426 PolarHBondContact O-N 3.18Å |
| 425 | G | 49 | Very low | 53.3 | Low | 58 Ų | 58 | 113.7 Ų | 113.7 | 60% | 0.598 | 67% | 0.665 | S | S | * | * | trans | -70.1 | 31.7 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | E422 M423 | E422-G425 PolarHBondContact O-N 3.17Å; M423-G425 PolarHBondContact O-N 3.32Å | ||
| 426 | L | 51.8 | Low | 52.6 | Low | 175 Ų | 175 | 116 Ų | 116 | 92% | 0.916 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -130.1 | 36.3 | 175.3 | -75.3 | 179.2 | 0 | 0 | 0 | 113.7 | A424 | A424-L426 PolarHBondContact O-N 3.18Š|
| 427 | S | 43.8 | Very low | 52 | Low | 109 Ų | 109 | 115.5 Ų | 115.5 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | trans | -155.5 | 101.5 | 157.8 | -172 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 428 | C | 33.5 | Very low | 51.3 | Low | 130 Ų | 130 | 115.1 Ų | 115.1 | 88% | 0.878 | 69% | 0.691 | S | S | * | * | trans | -162.5 | 131.1 | 151.1 | -118.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 429 | T | 38 | Very low | 51.4 | Low | 123 Ų | 123 | 111.9 Ų | 111.9 | 76% | 0.755 | 67% | 0.671 | S | S | * | * | trans | -43.3 | 136.3 | -179 | 47.4 | 0 | 0 | 0 | 0 | 116.2 | S431 | T429-S431 PolarHBondContact O-N 2.89Å; T429-S431 VanDerWaalsContact O-N 3.1Å | ||
| 430 | A | 39.3 | Very low | 51.5 | Low | 114 Ų | 114 | 112 Ų | 112 | 94% | 0.942 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -71 | 99.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 431 | S | 45.4 | Very low | 51.8 | Low | 111 Ų | 111 | 110.5 Ų | 110.5 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -153.2 | -9.8 | 165.1 | 63.5 | 0 | 0 | 0 | 0 | 116.6 | T429 | T429-S431 PolarHBondContact O-N 2.89Å; T429-S431 VanDerWaalsContact O-N 3.1Å |
| 432 | D | 42.3 | Very low | 52.1 | Low | 131 Ų | 131 | 106.1 Ų | 106.1 | 70% | 0.701 | 66% | 0.659 | S | S | * | * | trans | -137.8 | 53 | -172.7 | -162.2 | 8.3 | 0 | 0 | 0 | 113.5 | ||||
| 433 | A | 44.7 | Very low | 53.1 | Low | 75 Ų | 75 | 104.3 Ų | 104.3 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | trans | -92.4 | -6.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 434 | D | 44.6 | Very low | 54.3 | Low | 118 Ų | 118 | 103.1 Ų | 103.1 | 63% | 0.631 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -90.1 | -11.4 | -175.5 | -73.2 | -46.7 | 0 | 0 | 0 | 113.8 | E436 R442 | D434-E436 VanDerWaalsContact C-N 3.33Å; D434-E436 PolarHBondContact O-N 3.21Å; D434-R442 PolarHBondContact O-NH1 3.41Å |
| 435 | A | 58.4 | Low | 55.2 | Low | 69 Ų | 69 | 105.3 Ų | 105.3 | 57% | 0.57 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -70.1 | -24.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | R442 | A435-R442 PolarHBondContact O-NH1 2.97Š|
| 436 | E | 54.4 | Low | 56.6 | Low | 125 Ų | 125 | 106.2 Ų | 106.2 | 58% | 0.584 | 63% | 0.634 | S | S | * | * | trans | -66.8 | 139.8 | -175.4 | -69.5 | -155.4 | 143.5 | 0 | 0 | 113.3 | D434 C438 R442 | D434-E436 VanDerWaalsContact C-N 3.33Å; D434-E436 PolarHBondContact O-N 3.21Å; E436-C438 PolarHBondContact O-N 3.2Å; E436-R442 WeakPolarHBondContact O-CD 3.45Å; E436-R442 PolarHBondContact O-NH1 3.23Å | ||
| 437 | P | 52.6 | Low | 58.2 | Low | 109 Ų | 109 | 102.1 Ų | 102.1 | 71% | 0.708 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -9.7 | -178.8 | 31.3 | -36.3 | 0 | 0 | 0 | 113.9 | ||
| 438 | C | 53.2 | Low | 60.2 | Low | 112 Ų | 112 | 102.6 Ų | 102.6 | 76% | 0.757 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132 | 18.3 | -175.5 | -67.3 | 0 | 0 | 0 | 0 | 114.1 | E436 | E436-C438 PolarHBondContact O-N 3.2Š|
| 439 | S | 67.2 | Low | 62.5 | Low | 8 Ų | 8 | 103.2 Ų | 103.2 | 6% | 0.056 | 59% | 0.586 | C | S | . | * | trans | -62.1 | 139 | 175.1 | 72.6 | 0 | 0 | 0 | 0 | 110.7 | T441 R442 L443 | S439-T441 PolarHBondContact O-N 3.02Å; S439-R442 PolarHBondContact O-N 3.2Å; S439-R442 VanDerWaalsContact OG-CB 3.27Å; S439-R442 WeakPolarHBondContact OG-CB 3.47Å; S439-R442 PolarHBondContact OG-N 3.45Å; S439-L443 PolarHBondContact O-N 2.63Å; S439-L443 VanDerWaalsContact O-N 3.09Å | ||
| 440 | P | 67.4 | Low | 64.6 | Low | 93 Ų | 93 | 102.8 Ų | 102.8 | 60% | 0.604 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -63.1 | -31.2 | -177 | 24.4 | -33.4 | 0 | 0 | 0 | 111.9 | R442 L443 L444 | P440-R442 PolarHBondContact O-N 3.04Å; P440-L443 WeakPolarHBondContact O-CB 3.41Å; P440-L443 PolarHBondContact O-N 3.04Å; P440-L444 WeakPolarHBondContact O-CG 3.38Å; P440-L444 PolarHBondContact O-N 2.79Å |
| 441 | T | 70.2 | Confident | 66.6 | Low | 91 Ų | 91 | 100 Ų | 100 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -57.5 | -46.1 | 172.3 | -25 | 0 | 0 | 0 | 0 | 111.5 | S439 L444 Y445 | S439-T441 PolarHBondContact O-N 3.02Å; T441-L444 PolarHBondContact O-N 2.8Å; T441-Y445 PolarHBondContact O-N 2.8Å |
| 442 | R | 72.9 | Confident | 68.1 | Low | 115 Ų | 115 | 97.3 Ų | 97.3 | 43% | 0.434 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.8 | -29.9 | -179.9 | -167 | 173.3 | -172.1 | 163.6 | 3.9 | 112.7 | D434 A435 E436 S439 P440 N446 | D434-R442 PolarHBondContact O-NH1 3.41Å; A435-R442 PolarHBondContact O-NH1 2.97Å; E436-R442 WeakPolarHBondContact O-CD 3.45Å; E436-R442 PolarHBondContact O-NH1 3.23Å; S439-R442 PolarHBondContact O-N 3.2Å; S439-R442 VanDerWaalsContact OG-CB 3.27Å; S439-R442 WeakPolarHBondContact OG-CB 3.47Å; S439-R442 PolarHBondContact OG-N 3.45Å; P440-R442 PolarHBondContact O-N 3.04Å; R442-N446 PolarHBondContact O-N 3.05Å; R442-N446 VanDerWaalsContact O-N 3.1Å; R442-N446 PolarHBondContact O-ND2 3.31Å |
| 443 | L | 76.3 | Confident | 69.7 | Low | 112 Ų | 112 | 96.6 Ų | 96.6 | 59% | 0.586 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.5 | -49.4 | 168.9 | -177.7 | 71.7 | 0 | 0 | 0 | 110.8 | S439 P440 Y445 N446 I447 | S439-L443 PolarHBondContact O-N 2.63Å; S439-L443 VanDerWaalsContact O-N 3.09Å; P440-L443 WeakPolarHBondContact O-CB 3.41Å; P440-L443 PolarHBondContact O-N 3.04Å; L443-Y445 PolarHBondContact O-N 3.24Å; L443-N446 PolarHBondContact O-N 3.39Å; L443-I447 HydrophobicContact CD1-CD1 4.44Å; L443-I447 HydrophobicContact CG-CD1 3.99Å; L443-I447 WeakPolarHBondContact O-CG1 3.42Å; L443-I447 PolarHBondContact O-N 3.45Å |
| 444 | L | 80.5 | Confident | 71.2 | Confident | 116 Ų | 116 | 98.2 Ų | 98.2 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.4 | -44.2 | 178.1 | -70.3 | 169.6 | 0 | 0 | 0 | 111.6 | P440 T441 N446 I447 E448 | P440-L444 WeakPolarHBondContact O-CG 3.38Å; P440-L444 PolarHBondContact O-N 2.79Å; T441-L444 PolarHBondContact O-N 2.8Å; L444-N446 VanDerWaalsContact C-N 3.31Å; L444-N446 PolarHBondContact O-N 3.11Å; L444-I447 PolarHBondContact O-N 3.2Å; L444-I447 VanDerWaalsContact O-N 3.15Å; L444-E448 WeakPolarHBondContact O-CB 3.45Å; L444-E448 PolarHBondContact O-N 2.75Å |
| 445 | Y | 73.8 | Confident | 72.8 | Confident | 117 Ų | 117 | 95.6 Ų | 95.6 | 46% | 0.459 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.9 | -36.3 | 175.4 | -171.1 | -99.3 | 0 | 0 | 0 | 113.2 | T441 L443 R449 | T441-Y445 PolarHBondContact O-N 2.8Å; L443-Y445 PolarHBondContact O-N 3.24Å; Y445-R449 HydrophobicContact CD1-CG 4.16Å; Y445-R449 HydrophobicContact CE1-CG 3.84Å; Y445-R449 WeakPolarHBondContact O-CB 3.32Å; Y445-R449 VanDerWaalsContact O-CG 3.3Å; Y445-R449 WeakPolarHBondContact O-CG 3.4Å; Y445-R449 PolarHBondContact O-N 2.61Å; Y445-R449 PolarHBondContact OH-NE 3.41Å; Y445-R449 VanDerWaalsContact OH-NE 3.16Å; Y445-R449 PolarHBondContact OH-NH2 3.35Å |
| 446 | N | 78.8 | Confident | 73.6 | Confident | 78 Ų | 78 | 99.1 Ų | 99.1 | 42% | 0.417 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70.2 | -39.3 | 174 | -85.8 | -86.1 | 0 | 0 | 0 | 112.1 | R442 L443 L444 E448 R449 Q450 | R442-N446 PolarHBondContact O-N 3.05Å; R442-N446 VanDerWaalsContact O-N 3.1Å; R442-N446 PolarHBondContact O-ND2 3.31Å; L443-N446 PolarHBondContact O-N 3.39Å; L444-N446 VanDerWaalsContact C-N 3.31Å; L444-N446 PolarHBondContact O-N 3.11Å; N446-E448 VanDerWaalsContact C-N 3.33Å; N446-R449 PolarHBondContact O-N 2.99Å; N446-Q450 WeakPolarHBondContact O-CB 3.37Å; N446-Q450 VanDerWaalsContact O-CG 3.3Å; N446-Q450 WeakPolarHBondContact O-CG 3.32Å; N446-Q450 PolarHBondContact O-N 2.75Å |
| 447 | I | 84 | Confident | 74.7 | Confident | 89 Ų | 89 | 97.4 Ų | 97.4 | 46% | 0.456 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 174.8 | -67.9 | 166.3 | 0 | 0 | 0 | 110.5 | L443 L444 Q450 S451 | L443-I447 HydrophobicContact CD1-CD1 4.44Å; L443-I447 HydrophobicContact CG-CD1 3.99Å; L443-I447 WeakPolarHBondContact O-CG1 3.42Å; L443-I447 PolarHBondContact O-N 3.45Å; L444-I447 PolarHBondContact O-N 3.2Å; L444-I447 VanDerWaalsContact O-N 3.15Å; I447-Q450 PolarHBondContact O-N 2.8Å; I447-S451 VanDerWaalsContact O-CB 3.3Å; I447-S451 WeakPolarHBondContact O-CB 3.25Å; I447-S451 PolarHBondContact O-N 3.17Å; I447-S451 PolarHBondContact O-OG 2.8Å |
| 448 | E | 86.5 | Confident | 75.8 | Confident | 118 Ų | 118 | 96.1 Ų | 96.1 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.4 | -46.3 | 174.3 | -176.9 | 177.8 | -153.9 | 0 | 0 | 112 | L444 N446 Q450 S451 A452 | L444-E448 WeakPolarHBondContact O-CB 3.45Å; L444-E448 PolarHBondContact O-N 2.75Å; N446-E448 VanDerWaalsContact C-N 3.33Å; E448-Q450 VanDerWaalsContact C-N 3.33Å; E448-Q450 PolarHBondContact O-N 3.48Å; E448-S451 PolarHBondContact O-N 3.28Å; E448-S451 PolarHBondContact O-OG 3.41Å; E448-S451 VanDerWaalsContact O-OG 3.09Å; E448-A452 VanDerWaalsContact O-CB 3.24Å; E448-A452 WeakPolarHBondContact O-CB 3.32Å; E448-A452 PolarHBondContact O-N 3.3Å |
| 449 | R | 82.8 | Confident | 76.8 | Confident | 143 Ų | 143 | 96.3 Ų | 96.3 | 54% | 0.54 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.4 | -42.3 | 173.8 | -77.7 | -71.4 | -169.6 | 161.5 | 2.3 | 112.3 | Y445 N446 Q453 | Y445-R449 HydrophobicContact CD1-CG 4.16Å; Y445-R449 HydrophobicContact CE1-CG 3.84Å; Y445-R449 WeakPolarHBondContact O-CB 3.32Å; Y445-R449 VanDerWaalsContact O-CG 3.3Å; Y445-R449 WeakPolarHBondContact O-CG 3.4Å; Y445-R449 PolarHBondContact O-N 2.61Å; Y445-R449 PolarHBondContact OH-NE 3.41Å; Y445-R449 VanDerWaalsContact OH-NE 3.16Å; Y445-R449 PolarHBondContact OH-NH2 3.35Å; N446-R449 PolarHBondContact O-N 2.99Å; R449-Q453 WeakPolarHBondContact O-CB 3.49Å; R449-Q453 WeakPolarHBondContact O-CG 3.27Å; R449-Q453 PolarHBondContact O-N 2.9Å |
| 450 | Q | 81.4 | Confident | 76.7 | Confident | 115 Ų | 115 | 99.8 Ų | 99.8 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.6 | -38.4 | 178.2 | -72.1 | 177.4 | 8.5 | 0 | 0 | 112.4 | N446 I447 E448 Q453 L454 | N446-Q450 WeakPolarHBondContact O-CB 3.37Å; N446-Q450 VanDerWaalsContact O-CG 3.3Å; N446-Q450 WeakPolarHBondContact O-CG 3.32Å; N446-Q450 PolarHBondContact O-N 2.75Å; I447-Q450 PolarHBondContact O-N 2.8Å; E448-Q450 VanDerWaalsContact C-N 3.33Å; E448-Q450 PolarHBondContact O-N 3.48Å; Q450-Q453 PolarHBondContact O-N 2.91Å; Q450-L454 WeakPolarHBondContact O-CB 3.48Å; Q450-L454 VanDerWaalsContact O-CG 3.3Å; Q450-L454 WeakPolarHBondContact O-CG 3.22Å; Q450-L454 PolarHBondContact O-N 3.47Å |
| 451 | S | 80.4 | Confident | 76.5 | Confident | 56 Ų | 56 | 101.5 Ų | 101.5 | 39% | 0.392 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71 | -35.1 | 177.1 | 72.3 | 0 | 0 | 0 | 0 | 111.9 | I447 E448 L454 S455 | I447-S451 VanDerWaalsContact O-CB 3.3Å; I447-S451 WeakPolarHBondContact O-CB 3.25Å; I447-S451 PolarHBondContact O-N 3.17Å; I447-S451 PolarHBondContact O-OG 2.8Å; E448-S451 PolarHBondContact O-N 3.28Å; E448-S451 PolarHBondContact O-OG 3.41Å; E448-S451 VanDerWaalsContact O-OG 3.09Å; S451-L454 PolarHBondContact O-N 3.25Å; S451-S455 VanDerWaalsContact O-CB 3.29Å; S451-S455 WeakPolarHBondContact O-CB 3.19Å; S451-S455 PolarHBondContact O-N 3.5Å; S451-S455 PolarHBondContact O-OG 3.42Å |
| 452 | A | 77.4 | Confident | 75.9 | Confident | 54 Ų | 54 | 103.3 Ų | 103.3 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -45.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E448 S455 Q456 | E448-A452 VanDerWaalsContact O-CB 3.24Å; E448-A452 WeakPolarHBondContact O-CB 3.32Å; E448-A452 PolarHBondContact O-N 3.3Å; A452-S455 PolarHBondContact O-N 2.98Å; A452-Q456 WeakPolarHBondContact O-CB 3.41Å; A452-Q456 PolarHBondContact O-N 2.93Å |
| 453 | Q | 76.7 | Confident | 74.7 | Confident | 115 Ų | 115 | 104.1 Ų | 104.1 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 174.7 | -76.9 | 176.8 | -19.4 | 0 | 0 | 112.3 | R449 Q450 S455 Q456 I457 | R449-Q453 WeakPolarHBondContact O-CB 3.49Å; R449-Q453 WeakPolarHBondContact O-CG 3.27Å; R449-Q453 PolarHBondContact O-N 2.9Å; Q450-Q453 PolarHBondContact O-N 2.91Å; Q453-S455 VanDerWaalsContact C-N 3.33Å; Q453-S455 PolarHBondContact O-N 2.89Å; Q453-Q456 PolarHBondContact O-N 2.96Å; Q453-I457 VanDerWaalsContact O-CG1 3.29Å; Q453-I457 WeakPolarHBondContact O-CG1 3.46Å; Q453-I457 PolarHBondContact O-N 3.33Å |
| 454 | L | 75.3 | Confident | 73.2 | Confident | 110 Ų | 110 | 104.1 Ų | 104.1 | 58% | 0.576 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.7 | -38.3 | 174.5 | -74.2 | 169.5 | 0 | 0 | 0 | 112 | Q450 S451 I457 V458 | Q450-L454 WeakPolarHBondContact O-CB 3.48Å; Q450-L454 VanDerWaalsContact O-CG 3.3Å; Q450-L454 WeakPolarHBondContact O-CG 3.22Å; Q450-L454 PolarHBondContact O-N 3.47Å; S451-L454 PolarHBondContact O-N 3.25Å; L454-I457 PolarHBondContact O-N 3.04Å; L454-V458 WeakPolarHBondContact O-CB 3.41Å; L454-V458 VanDerWaalsContact O-CG2 3.32Å; L454-V458 WeakPolarHBondContact O-CG2 3.29Å; L454-V458 PolarHBondContact O-N 3.03Å |
| 455 | S | 79.5 | Confident | 71.1 | Confident | 63 Ų | 63 | 106.9 Ų | 106.9 | 44% | 0.441 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66 | -40 | 175.4 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | S451 A452 Q453 V458 N459 | S451-S455 VanDerWaalsContact O-CB 3.29Å; S451-S455 WeakPolarHBondContact O-CB 3.19Å; S451-S455 PolarHBondContact O-N 3.5Å; S451-S455 PolarHBondContact O-OG 3.42Å; A452-S455 PolarHBondContact O-N 2.98Å; Q453-S455 VanDerWaalsContact C-N 3.33Å; Q453-S455 PolarHBondContact O-N 2.89Å; S455-V458 PolarHBondContact O-N 3.32Å; S455-N459 VanDerWaalsContact O-CB 3.28Å; S455-N459 WeakPolarHBondContact O-CB 3.21Å; S455-N459 PolarHBondContact O-N 3.12Å; S455-N459 PolarHBondContact O-ND2 2.96Å |
| 456 | Q | 74.3 | Confident | 69.4 | Low | 143 Ų | 143 | 105.9 Ų | 105.9 | 67% | 0.668 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.3 | -40.8 | 174 | -169 | 177.2 | 13.6 | 0 | 0 | 111.6 | A452 Q453 S460 | A452-Q456 WeakPolarHBondContact O-CB 3.41Å; A452-Q456 PolarHBondContact O-N 2.93Å; Q453-Q456 PolarHBondContact O-N 2.96Å; Q456-S460 WeakPolarHBondContact O-CB 3.17Å; Q456-S460 PolarHBondContact O-N 2.87Å; Q456-S460 PolarHBondContact O-OG 3Å |
| 457 | I | 78.4 | Confident | 67.2 | Low | 88 Ų | 88 | 112 Ų | 112 | 45% | 0.451 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.1 | -49.1 | 174.3 | -69.2 | 163.4 | 0 | 0 | 0 | 110.6 | Q453 L454 N459 S460 L461 | Q453-I457 VanDerWaalsContact O-CG1 3.29Å; Q453-I457 WeakPolarHBondContact O-CG1 3.46Å; Q453-I457 PolarHBondContact O-N 3.33Å; L454-I457 PolarHBondContact O-N 3.04Å; I457-N459 VanDerWaalsContact C-N 3.35Å; I457-N459 PolarHBondContact O-N 3.41Å; I457-S460 WeakPolarHBondContact CA-OG 3.5Å; I457-S460 PolarHBondContact O-N 2.95Å; I457-S460 VanDerWaalsContact O-N 3.11Å; I457-S460 PolarHBondContact O-OG 3.15Å; I457-L461 HydrophobicContact CG2-CD1 3.9Å; I457-L461 HydrophobicContact CG2-CG 4.49Å; I457-L461 WeakPolarHBondContact O-CG 3.47Å; I457-L461 PolarHBondContact O-N 3.46Å |
| 458 | V | 75.7 | Confident | 64.7 | Low | 82 Ų | 82 | 112.9 Ų | 112.9 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -59.5 | -44.6 | 177.4 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | L454 S455 S460 L461 M462 | L454-V458 WeakPolarHBondContact O-CB 3.41Å; L454-V458 VanDerWaalsContact O-CG2 3.32Å; L454-V458 WeakPolarHBondContact O-CG2 3.29Å; L454-V458 PolarHBondContact O-N 3.03Å; S455-V458 PolarHBondContact O-N 3.32Å; V458-S460 VanDerWaalsContact C-N 3.3Å; V458-S460 PolarHBondContact O-N 3.1Å; V458-L461 PolarHBondContact O-N 3.4Å; V458-L461 VanDerWaalsContact O-N 3.15Å; V458-M462 WeakPolarHBondContact O-CG 3.4Å; V458-M462 PolarHBondContact O-N 2.93Å |
| 459 | N | 72.6 | Confident | 62.4 | Low | 116 Ų | 116 | 113.2 Ų | 113.2 | 62% | 0.62 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.7 | -31 | 176.3 | -69.1 | -11.3 | 0 | 0 | 0 | 112.5 | S455 I457 | S455-N459 VanDerWaalsContact O-CB 3.28Å; S455-N459 WeakPolarHBondContact O-CB 3.21Å; S455-N459 PolarHBondContact O-N 3.12Å; S455-N459 PolarHBondContact O-ND2 2.96Å; I457-N459 VanDerWaalsContact C-N 3.35Å; I457-N459 PolarHBondContact O-N 3.41Å |
| 460 | S | 66.5 | Low | 60.2 | Low | 82 Ų | 82 | 114.6 Ų | 114.6 | 57% | 0.573 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.2 | -25.1 | 173.2 | 76 | 0 | 0 | 0 | 0 | 114 | Q456 I457 V458 | Q456-S460 WeakPolarHBondContact O-CB 3.17Å; Q456-S460 PolarHBondContact O-N 2.87Å; Q456-S460 PolarHBondContact O-OG 3Å; I457-S460 WeakPolarHBondContact CA-OG 3.5Å; I457-S460 PolarHBondContact O-N 2.95Å; I457-S460 VanDerWaalsContact O-N 3.11Å; I457-S460 PolarHBondContact O-OG 3.15Å; V458-S460 VanDerWaalsContact C-N 3.3Å; V458-S460 PolarHBondContact O-N 3.1Å |
| 461 | L | 62.2 | Low | 57.9 | Low | 129 Ų | 129 | 113.6 Ų | 113.6 | 68% | 0.675 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -84.7 | -20.3 | 175.2 | -68 | 170 | 0 | 0 | 0 | 112.1 | I457 V458 L463 | I457-L461 HydrophobicContact CG2-CD1 3.9Å; I457-L461 HydrophobicContact CG2-CG 4.49Å; I457-L461 WeakPolarHBondContact O-CG 3.47Å; I457-L461 PolarHBondContact O-N 3.46Å; V458-L461 PolarHBondContact O-N 3.4Å; V458-L461 VanDerWaalsContact O-N 3.15Å; L461-L463 PolarHBondContact O-N 3.11Å |
| 462 | M | 56.8 | Low | 55.7 | Low | 128 Ų | 128 | 120.5 Ų | 120.5 | 63% | 0.631 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -83.5 | 82.1 | 170.7 | -71.1 | -65.5 | -63.3 | 0 | 0 | 110.6 | V458 | V458-M462 WeakPolarHBondContact O-CG 3.4Å; V458-M462 PolarHBondContact O-N 2.93Å |
| 463 | L | 48.8 | Very low | 53.6 | Low | 132 Ų | 132 | 126.8 Ų | 126.8 | 69% | 0.691 | 69% | 0.688 | S | S | * | * | trans | -57.5 | 139 | 169.2 | -88.6 | 71.7 | 0 | 0 | 0 | 110.4 | L461 L465 | L461-L463 PolarHBondContact O-N 3.11Å; L463-L465 PolarHBondContact O-N 2.78Å | ||
| 464 | P | 43.8 | Very low | 51.1 | Low | 113 Ų | 113 | 126.9 Ų | 126.9 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | trans | -61.3 | 120.7 | 178.6 | -23.6 | 34 | 0 | 0 | 0 | 112.3 | S466 | P464-S466 VanDerWaalsContact C-N 3.3Å; P464-S466 PolarHBondContact O-N 3.28Å | ||
| 465 | L | 37.1 | Very low | 48.9 | Very low | 174 Ų | 174 | 126.2 Ų | 126.2 | 91% | 0.911 | 71% | 0.706 | S | S | * | * | trans | -81.6 | 73.2 | 175.9 | -69.4 | 177.4 | 0 | 0 | 0 | 111.1 | L463 | L463-L465 PolarHBondContact O-N 2.78Š| ||
| 466 | S | 37.7 | Very low | 46.7 | Very low | 96 Ų | 96 | 131.2 Ų | 131.2 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | trans | -151.8 | 89.8 | 173.2 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | P464 | P464-S466 VanDerWaalsContact C-N 3.3Å; P464-S466 PolarHBondContact O-N 3.28Å | ||
| 467 | F | 34 | Very low | 44.4 | Very low | 205 Ų | 205 | 130.9 Ų | 130.9 | 90% | 0.899 | 72% | 0.718 | S | S | * | * | trans | -98.6 | 137.5 | 146.6 | -58.8 | -81.7 | 0 | 0 | 0 | 105.3 | ||||
| 468 | S | 30.9 | Very low | 42.3 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | cis | -154.4 | -164.5 | 14.8 | -52.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 469 | P | 38.7 | Very low | 40 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 81% | 0.805 | 75% | 0.751 | S | S | * | * | cis | -130 | -173.1 | -12.9 | 41 | -23.5 | 0 | 0 | 0 | 114.3 | ||||
| 470 | L | 36.4 | Very low | 38 | Very low | 173 Ų | 173 | 136.2 Ų | 136.2 | 91% | 0.906 | 75% | 0.75 | S | S | * | * | trans | -58.8 | 130.2 | 175.2 | 176.2 | 71.8 | 0 | 0 | 0 | 114.7 | ||||
| 471 | S | 31.6 | Very low | 36.3 | Very low | 93 Ų | 93 | 141 Ų | 141 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | trans | -165.9 | 117.2 | 160 | -176.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 472 | K | 34.4 | Very low | 34.7 | Very low | 202 Ų | 202 | 140.5 Ų | 140.5 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | trans | 71.4 | 148.8 | 154.6 | -64.9 | 173.8 | -177.6 | -179.4 | 0 | 121.1 | ||||
| 473 | Q | 34.6 | Very low | 33.4 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -97.9 | -170.4 | 178.6 | -64.3 | 168.2 | -91.7 | 0 | 0 | 112 | ||||
| 474 | S | 24.5 | Very low | 32.5 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 88.8 | 141 | 167 | 76.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 475 | S | 28 | Very low | 32.4 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | cis | -171.5 | 159.4 | -16.2 | 49.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 476 | K | 32.7 | Very low | 32 | Very low | 167 Ų | 167 | 135.6 Ų | 135.6 | 73% | 0.726 | 77% | 0.774 | S | S | * | * | trans | 66.4 | 160.7 | 161.8 | -71.7 | 166.5 | 157.5 | -113.2 | 0 | 116.1 | ||||
| 477 | E | 26.7 | Very low | 31.6 | Very low | 136 Ų | 136 | 134.3 Ų | 134.3 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | cis | -144.4 | 127.7 | -10.9 | -127.5 | 141.7 | -171.2 | 0 | 0 | 109.1 | ||||
| 478 | R | 33.8 | Very low | 31.4 | Very low | 224 Ų | 224 | 132.3 Ų | 132.3 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | 57.6 | 116.4 | 106.1 | -169.3 | 178.7 | -75.5 | -148.6 | -2.5 | 116.7 | |||||
| 479 | G | 27.4 | Very low | 31.3 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -156.6 | 91.8 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 480 | T | 32.1 | Very low | 30.9 | Very low | 97 Ų | 97 | 134 Ų | 134 | 60% | 0.595 | 77% | 0.773 | S | S | * | * | trans | -69.7 | 157 | 175.2 | -11.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 481 | F | 29.4 | Very low | 30.6 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 80% | 0.798 | 77% | 0.769 | S | S | * | * | cis | -160 | 172.9 | 45.1 | -63.4 | -89.1 | 0 | 0 | 0 | 109.5 | ||||
| 482 | T | 30 | Very low | 30.6 | Very low | 119 Ų | 119 | 138.3 Ų | 138.3 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | cis | -154.3 | 148 | 11.4 | -20.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 483 | S | 28.1 | Very low | 30.3 | Very low | 101 Ų | 101 | 135 Ų | 135 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 38.8 | 112.7 | 148.8 | 59 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 484 | T | 30.4 | Very low | 29.9 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -46.4 | -177.7 | 136.8 | 24.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 485 | P | 42.6 | Very low | 30.2 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | cis | -121.7 | 163.7 | 11.3 | 41.8 | -26.4 | 0 | 0 | 0 | 114.5 | ||||
| 486 | G | 27.1 | Very low | 30.4 | Very low | 81 Ų | 81 | 130.6 Ų | 130.6 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | 124.2 | 167.4 | 64.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 487 | G | 29.6 | Very low | 30.4 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | cis | 176.9 | 137.1 | -7.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 488 | D | 30.4 | Very low | 30.6 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | 31.7 | 123.8 | 166.1 | -46.2 | -31.7 | 0 | 0 | 0 | 120 | ||||
| 489 | D | 28.9 | Very low | 30.7 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | -178.1 | 159.2 | 90 | -131.5 | -11.5 | 0 | 0 | 0 | 116.8 | |||||
| 490 | V | 30.6 | Very low | 30.8 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | 51.8 | 145.9 | 147.3 | 164.8 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 491 | F | 29.9 | Very low | 30.9 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 83% | 0.833 | 83% | 0.828 | S | S | * | * | trans | -72.7 | 151.3 | 174.5 | -61.2 | -113.7 | 0 | 0 | 0 | 113.5 | ||||
| 492 | L | 30.3 | Very low | 31.1 | Very low | 165 Ų | 165 | 143 Ų | 143 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | -178.9 | 166.7 | 108.7 | -97 | 167.9 | 0 | 0 | 0 | 115.7 | |||||
| 493 | T | 29.9 | Very low | 31.2 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | -53.1 | 144 | -174.3 | 41.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 494 | G | 25.8 | Very low | 31.7 | Very low | 84 Ų | 84 | 147.6 Ų | 147.6 | 87% | 0.866 | 84% | 0.839 | S | S | * | * | trans | -148.9 | 125.1 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 495 | S | 30.8 | Very low | 31.9 | Very low | 123 Ų | 123 | 151.4 Ų | 151.4 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | -129.6 | 125.8 | -171.4 | 176.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 496 | A | 32.2 | Very low | 31.6 | Very low | 99 Ų | 99 | 153.2 Ų | 153.2 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -161 | 103.5 | 155.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 497 | K | 33.1 | Very low | 32.1 | Very low | 211 Ų | 211 | 155.9 Ų | 155.9 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | trans | 9.9 | 113.6 | 142.5 | -62.9 | 162.9 | -178.9 | 167.6 | 0 | 119.1 | ||||
| 498 | G | 30.9 | Very low | 32.6 | Very low | 87 Ų | 87 | 162 Ų | 162 | 90% | 0.897 | 83% | 0.83 | S | S | * | * | trans | -133.2 | 68.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 499 | R | 34.3 | Very low | 33.1 | Very low | 239 Ų | 239 | 158.2 Ų | 158.2 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -107 | 113.8 | -173 | -179.3 | -164.9 | -84.1 | -145.9 | 0.2 | 112.8 | ||||
| 500 | R | 30.1 | Very low | 33.4 | Very low | 242 Ų | 242 | 157.2 Ų | 157.2 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | trans | -168.9 | 111.2 | 149.9 | -107.6 | 172 | -153.9 | -134.3 | 5.2 | 112 | ||||
| 501 | L | 34 | Very low | 34.2 | Very low | 167 Ų | 167 | 155.2 Ų | 155.2 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -174.5 | 117.8 | 149.1 | -114 | 167.9 | 0 | 0 | 0 | 112.6 | ||||
| 502 | K | 33.3 | Very low | 34.8 | Very low | 198 Ų | 198 | 151 Ų | 151 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | 176.4 | 76.3 | 140.7 | -98.4 | 166.5 | -172.2 | 175.7 | 0 | 109.9 | ||||
| 503 | G | 32.2 | Very low | 35.6 | Very low | 60 Ų | 60 | 147.7 Ų | 147.7 | 62% | 0.619 | 79% | 0.787 | S | S | * | * | trans | -63 | 158.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R505 | G503-R505 PolarHBondContact O-N 2.95Š| ||
| 504 | R | 39.3 | Very low | 36.2 | Very low | 257 Ų | 257 | 146.4 Ų | 146.4 | 97% | 0.97 | 78% | 0.779 | S | S | * | * | trans | -60.1 | 106.6 | 180 | -66 | -176.9 | 178.7 | -149.3 | -1.2 | 110 | L506 | R504-L506 PolarHBondContact O-N 3.31Š| ||
| 505 | R | 34.8 | Very low | 36.9 | Very low | 216 Ų | 216 | 146.6 Ų | 146.6 | 82% | 0.815 | 77% | 0.766 | S | S | * | * | trans | -71.4 | 100.2 | 176.5 | -75.9 | -170.1 | 176.9 | -172.5 | -1.5 | 110.5 | G503 F507 | G503-R505 PolarHBondContact O-N 2.95Å; R505-F507 PolarHBondContact O-N 2.88Å | ||
| 506 | L | 35.7 | Very low | 37.6 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -56 | 123.4 | 152.4 | -80.6 | 164.2 | 0 | 0 | 0 | 108.1 | R504 R508 | R504-L506 PolarHBondContact O-N 3.31Å; L506-R508 PolarHBondContact O-N 2.85Å | ||
| 507 | F | 38.6 | Very low | 38.6 | Very low | 138 Ų | 138 | 152.7 Ų | 152.7 | 61% | 0.605 | 77% | 0.771 | S | S | * | * | trans | -76.1 | 92.1 | 171.8 | -76.2 | -88 | 0 | 0 | 0 | 108.8 | R505 V509 K526 | R505-F507 PolarHBondContact O-N 2.88Å; F507-V509 PolarHBondContact O-N 3.42Å; F507-K526 VanDerWaalsContact CD1-NZ 3.3Å; F507-K526 HydrophobicContact CD2-CD 4Å; F507-K526 HydrophobicContact CE2-CD 4.15Å; F507-K526 VanDerWaalsContact CE2-NZ 3.28Å | ||
| 508 | R | 39 | Very low | 39.7 | Very low | 198 Ų | 198 | 147.1 Ų | 147.1 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 125.1 | 148.7 | -73.5 | -68.3 | -169.5 | -173.5 | 3.8 | 106.6 | L506 | L506-R508 PolarHBondContact O-N 2.85Š|
| 509 | V | 40.4 | Very low | 41.4 | Very low | 82 Ų | 82 | 149.6 Ų | 149.6 | 50% | 0.497 | 74% | 0.737 | S | S | . | * | P | Polyproline II helix | trans | -84.4 | 137.4 | 162.6 | 179.4 | 0 | 0 | 0 | 0 | 106 | F507 A511 | F507-V509 PolarHBondContact O-N 3.42Å; V509-A511 PolarHBondContact O-N 3.49Å |
| 510 | D | 36.8 | Very low | 42.8 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 133.2 | 175.7 | -72.8 | -51 | 0 | 0 | 0 | 110.3 | S512 | D510-S512 PolarHBondContact O-N 2.86Š|
| 511 | A | 47.1 | Very low | 44.4 | Very low | 78 Ų | 78 | 134.4 Ų | 134.4 | 65% | 0.645 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 15 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V509 V514 | V509-A511 PolarHBondContact O-N 3.49Å; A511-V514 WeakPolarHBondContact O-CG2 3.33Å |
| 512 | S | 42.8 | Very low | 46 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -20.5 | -175.7 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | D510 V514 | D510-S512 PolarHBondContact O-N 2.86Å; S512-V514 PolarHBondContact O-N 2.85Å |
| 513 | C | 46.8 | Very low | 47.5 | Very low | 96 Ų | 96 | 122.7 Ų | 122.7 | 65% | 0.649 | 65% | 0.648 | S | S | * | * | trans | -83.2 | 51.6 | 177.4 | 56.2 | 0 | 0 | 0 | 0 | 113.2 | C515 | C513-C515 PolarHBondContact O-N 3.38Š| ||
| 514 | V | 42.8 | Very low | 48.9 | Very low | 108 Ų | 108 | 122.6 Ų | 122.6 | 66% | 0.655 | 64% | 0.637 | S | S | * | * | trans | -75.8 | 85.1 | 176.8 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | A511 S512 A516 | A511-V514 WeakPolarHBondContact O-CG2 3.33Å; S512-V514 PolarHBondContact O-N 2.85Å; V514-A516 PolarHBondContact O-N 3.25Å | ||
| 515 | C | 39.3 | Very low | 50.1 | Low | 87 Ų | 87 | 116.5 Ų | 116.5 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | trans | -66.9 | 120 | 158.9 | -63.9 | 0 | 0 | 0 | 0 | 108.5 | C513 R517 T518 | C513-C515 PolarHBondContact O-N 3.38Å; C515-R517 PolarHBondContact O-N 3.13Å; C515-T518 PolarHBondContact O-N 3.01Å; C515-T518 PolarHBondContact O-OG1 3.26Å | ||
| 516 | A | 46.4 | Very low | 51.4 | Low | 103 Ų | 103 | 112.3 Ų | 112.3 | 85% | 0.851 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 14.9 | -167.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | V514 | V514-A516 PolarHBondContact O-N 3.25Š|
| 517 | R | 53.9 | Low | 52.6 | Low | 248 Ų | 248 | 112.4 Ų | 112.4 | 94% | 0.936 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | 5.7 | 175 | -69.1 | -171.5 | 169.2 | 98.2 | 3 | 114.1 | C515 | C515-R517 PolarHBondContact O-N 3.13Š|
| 518 | T | 56.3 | Low | 53.6 | Low | 93 Ų | 93 | 116.3 Ų | 116.3 | 57% | 0.571 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -128.9 | 128.6 | -176.9 | 51.5 | 0 | 0 | 0 | 0 | 112 | C515 | C515-T518 PolarHBondContact O-N 3.01Å; C515-T518 PolarHBondContact O-OG1 3.26Å |
| 519 | R | 66.2 | Low | 54.7 | Low | 140 Ų | 140 | 115 Ų | 115 | 53% | 0.528 | 61% | 0.614 | S | S | . | * | trans | -62.8 | 138.9 | 176.4 | -55.4 | -178.7 | -168.4 | -168.2 | -2.8 | 110.3 | A405 S407 | A405-R519 WeakPolarHBondContact O-CD 3.31Å; S407-R519 VanDerWaalsContact OG-CZ 3.23Å; S407-R519 PolarHBondContact OG-NH1 2.69Å; S407-R519 VanDerWaalsContact OG-NH1 3.15Å; S407-R519 PolarHBondContact OG-NH2 2.89Å; S407-R519 VanDerWaalsContact OG-NH2 3.13Å | ||
| 520 | P | 63.9 | Low | 55.5 | Low | 75 Ų | 75 | 116.1 Ų | 116.1 | 49% | 0.487 | 61% | 0.612 | S | S | . | * | trans | -63.3 | 142.7 | 179.2 | 23.8 | -31.4 | 0 | 0 | 0 | 111.6 | A405 V522 | A405-P520 HydrophobicContact CB-CG 3.84Å; A405-P520 WeakPolarHBondContact CB-O 3.21Å; A405-P520 PolarHBondContact N-O 3.45Å; P520-V522 PolarHBondContact O-N 3.1Å | ||
| 521 | M | 62.9 | Low | 56 | Low | 87 Ų | 87 | 114.6 Ų | 114.6 | 43% | 0.429 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.8 | 111.8 | -178.5 | -177.5 | 174.5 | 62.3 | 0 | 0 | 109.9 | V402 L404 C524 | V402-M521 HydrophobicContact CG1-CG 4.16Å; V402-M521 HydrophobicContact CG1-SD 4.11Å; L404-M521 HydrophobicContact CD2-CB 4.46Å; M521-C524 HydrophobicContact CE-CB 4.11Å; M521-C524 HydrophobicContact CG-CB 4.38Å; M521-C524 HydrophobicContact SD-CB 3.63Å |
| 522 | V | 66.9 | Low | 56.1 | Low | 65 Ų | 65 | 116.1 Ų | 116.1 | 39% | 0.394 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -77.7 | -38.5 | -174.4 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | V403 A405 P520 | V403-V522 HydrophobicContact CG1-CB 4.4Å; V403-V522 PolarHBondContact O-N 3.04Å; A405-V522 HydrophobicContact CB-CG2 3.78Å; P520-V522 PolarHBondContact O-N 3.1Å |
| 523 | S | 66.3 | Low | 56.3 | Low | 54 Ų | 54 | 116.3 Ų | 116.3 | 38% | 0.378 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -153.7 | 148.1 | 171 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | V403 | V403-S523 PolarHBondContact N-O 2.93Å; V403-S523 PolarHBondContact O-N 2.92Å |
| 524 | C | 61.6 | Low | 56 | Low | 58 Ų | 58 | 115.9 Ų | 115.9 | 39% | 0.392 | 61% | 0.607 | S | S | . | * | trans | -138.2 | 144.2 | 171.2 | 63.2 | 0 | 0 | 0 | 0 | 110.6 | M521 K526 | M521-C524 HydrophobicContact CE-CB 4.11Å; M521-C524 HydrophobicContact CG-CB 4.38Å; M521-C524 HydrophobicContact SD-CB 3.63Å; C524-K526 PolarHBondContact O-N 3.19Å | ||
| 525 | H | 64.1 | Low | 55.7 | Low | 128 Ų | 128 | 115.1 Ų | 115.1 | 59% | 0.593 | 61% | 0.606 | S | S | * | * | trans | -75.1 | 117.7 | 171.2 | -168.1 | 79.9 | 0 | 0 | 0 | 109.2 | R527 | H525-R527 PolarHBondContact O-N 2.88Š| ||
| 526 | K | 61.3 | Low | 55.9 | Low | 128 Ų | 128 | 118.3 Ų | 118.3 | 56% | 0.557 | 61% | 0.607 | S | S | * | * | trans | -66.4 | 103.4 | 177.9 | -85 | -169.6 | 170.3 | -177.1 | 0 | 110 | F507 C524 | F507-K526 VanDerWaalsContact CD1-NZ 3.3Å; F507-K526 HydrophobicContact CD2-CD 4Å; F507-K526 HydrophobicContact CE2-CD 4.15Å; F507-K526 VanDerWaalsContact CE2-NZ 3.28Å; C524-K526 PolarHBondContact O-N 3.19Å | ||
| 527 | R | 61.9 | Low | 55.1 | Low | 166 Ų | 166 | 119.3 Ų | 119.3 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | trans | -64.2 | 136.3 | 175.7 | -56.2 | -176.3 | -168.9 | 168 | 6.8 | 109.9 | H525 | H525-R527 PolarHBondContact O-N 2.88Š| ||
| 528 | R | 59.7 | Low | 54.1 | Low | 220 Ų | 220 | 115 Ų | 115 | 83% | 0.83 | 60% | 0.604 | S | S | * | * | trans | -70 | 133.8 | 159.1 | -66 | 176.4 | 69.8 | 175.3 | 0.2 | 107.1 | F530 | R528-F530 PolarHBondContact O-N 3.08Š| ||
| 529 | L | 61.2 | Low | 53 | Low | 171 Ų | 171 | 115.5 Ų | 115.5 | 90% | 0.895 | 61% | 0.611 | S | S | * | * | trans | -72.3 | 114 | 171.3 | -66.6 | 175 | 0 | 0 | 0 | 107.9 | S531 | L529-S531 PolarHBondContact O-N 3.41Š| ||
| 530 | F | 56.4 | Low | 51.5 | Low | 104 Ų | 104 | 114 Ų | 114 | 46% | 0.456 | 62% | 0.622 | S | S | . | * | trans | -72.3 | 108.7 | 170.9 | -66.4 | -81.8 | 0 | 0 | 0 | 108.3 | H394 I395 R528 V532 | H394-F530 AromaticContact CD2-CE1 3.98Å; H394-F530 AromaticContact CD2-CZ 3.65Å; H394-F530 AromaticContact NE2-CE1 3.99Å; H394-F530 AromaticContact NE2-CZ 3.7Å; I395-F530 HydrophobicContact CD1-CD2 4.26Å; I395-F530 HydrophobicContact CG1-CD2 3.98Å; I395-F530 HydrophobicContact CG1-CE2 3.99Å; R528-F530 PolarHBondContact O-N 3.08Å; F530-V532 PolarHBondContact O-N 3.03Å | ||
| 531 | S | 48.7 | Very low | 50.2 | Low | 97 Ų | 97 | 116.6 Ų | 116.6 | 68% | 0.678 | 64% | 0.639 | S | S | * | * | trans | -75.9 | 111.6 | 169.8 | -170.3 | 0 | 0 | 0 | 0 | 108.4 | L529 T533 | L529-S531 PolarHBondContact O-N 3.41Å; S531-T533 PolarHBondContact O-N 2.65Å | ||
| 532 | V | 49.5 | Very low | 48.6 | Very low | 110 Ų | 110 | 122 Ų | 122 | 67% | 0.667 | 66% | 0.66 | S | S | * | * | trans | -78.1 | 83.8 | 168.5 | -176.9 | 0 | 0 | 0 | 0 | 107.1 | F530 S534 | F530-V532 PolarHBondContact O-N 3.03Å; V532-S534 PolarHBondContact O-N 2.6Å | ||
| 533 | T | 45.3 | Very low | 47 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 64% | 0.644 | 68% | 0.677 | S | S | * | * | trans | -67.5 | 96.3 | 172.3 | 41.8 | 0 | 0 | 0 | 0 | 109.3 | S531 C535 | S531-T533 PolarHBondContact O-N 2.65Å; T533-C535 PolarHBondContact O-N 2.63Å; T533-C535 PolarHBondContact O-SG 3.39Å | ||
| 534 | S | 40.9 | Very low | 45.3 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 60% | 0.601 | 70% | 0.702 | S | S | * | * | trans | -57 | 116.6 | 169.4 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | V532 Y536 | V532-S534 PolarHBondContact O-N 2.6Å; S534-Y536 PolarHBondContact O-N 3Å; S534-Y536 WeakPolarHBondContact OG-CD2 3.31Å | ||
| 535 | C | 36.9 | Very low | 43.9 | Very low | 93 Ų | 93 | 139.9 Ų | 139.9 | 63% | 0.628 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -77.3 | 42.3 | -171.7 | -61 | 0 | 0 | 0 | 0 | 114 | T533 | T533-C535 PolarHBondContact O-N 2.63Å; T533-C535 PolarHBondContact O-SG 3.39Å |
| 536 | Y | 42.6 | Very low | 42.3 | Very low | 154 Ų | 154 | 139.5 Ų | 139.5 | 60% | 0.604 | 74% | 0.735 | S | S | * | * | trans | -136.3 | 53.3 | -173.1 | -53.7 | -66.8 | 0 | 0 | 0 | 113.9 | R384 S534 | R384-Y536 VanDerWaalsContact CZ-OH 3.26Å; R384-Y536 PolarHBondContact NH1-OH 2.94Å; R384-Y536 PolarHBondContact NH2-OH 3.45Å; R384-Y536 VanDerWaalsContact NH2-OH 3.13Å; S534-Y536 PolarHBondContact O-N 3Å; S534-Y536 WeakPolarHBondContact OG-CD2 3.31Å | ||
| 537 | T | 30.1 | Very low | 40.7 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | trans | -139.1 | 95.8 | 164.2 | 54.8 | 0 | 0 | 0 | 0 | 111.9 | S539 | T537-S539 PolarHBondContact O-N 2.87Å; T537-S539 VanDerWaalsContact O-N 3.12Å | ||
| 538 | T | 34.3 | Very low | 39.1 | Very low | 157 Ų | 157 | 136.4 Ų | 136.4 | 96% | 0.963 | 75% | 0.749 | S | S | * | * | trans | -76.3 | 89.4 | 168.6 | 50 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 539 | S | 33.1 | Very low | 37.7 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | -99.8 | 122.5 | 172.4 | 58.7 | 0 | 0 | 0 | 0 | 111.1 | T537 | T537-S539 PolarHBondContact O-N 2.87Å; T537-S539 VanDerWaalsContact O-N 3.12Å | ||
| 540 | S | 33 | Very low | 36.1 | Very low | 108 Ų | 108 | 131.3 Ų | 131.3 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | -75 | 138.8 | -178.7 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | K542 | S540-K542 PolarHBondContact O-N 2.99Š| ||
| 541 | P | 37.3 | Very low | 34.8 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 84% | 0.844 | 76% | 0.758 | S | S | * | * | trans | -82.5 | 110.8 | 177.2 | 31.1 | -32.6 | 0 | 0 | 0 | 111.4 | ||||
| 542 | K | 30.4 | Very low | 34.1 | Very low | 202 Ų | 202 | 136.6 Ų | 136.6 | 88% | 0.878 | 76% | 0.762 | S | S | * | * | trans | -89.5 | 110.1 | 162.5 | -82.5 | -171.1 | 174.9 | -178.3 | 0 | 110.4 | S540 | S540-K542 PolarHBondContact O-N 2.99Š| ||
| 543 | S | 32.3 | Very low | 33.1 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | -11.7 | 121.1 | 171.7 | -175.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 544 | R | 30.8 | Very low | 32.2 | Very low | 238 Ų | 238 | 137.7 Ų | 137.7 | 90% | 0.898 | 77% | 0.772 | S | S | * | * | trans | -141.2 | 137.4 | 138.7 | -70.8 | -165.1 | 173.6 | -179.3 | -2.4 | 109.3 | ||||
| 545 | K | 31.4 | Very low | 31.7 | Very low | 205 Ų | 205 | 141.3 Ų | 141.3 | 89% | 0.891 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -81 | 133.1 | 174.7 | -60.7 | -179.3 | -179.6 | -178.2 | 0 | 110.6 | ||
| 546 | P | 31.7 | Very low | 31.6 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 158.8 | 147.7 | 34.3 | -28.8 | 0 | 0 | 0 | 110.8 | ||
| 547 | V | 27.3 | Very low | 30.9 | Very low | 141 Ų | 141 | 140.1 Ų | 140.1 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -81 | 153.9 | 178.7 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | T549 | V547-T549 PolarHBondContact O-N 3.08Š|
| 548 | S | 28.6 | Very low | 30.8 | Very low | 89 Ų | 89 | 142.4 Ų | 142.4 | 62% | 0.622 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 125.5 | 177.1 | -178 | 0 | 0 | 0 | 0 | 112.6 | ||
| 549 | T | 28.9 | Very low | 30.4 | Very low | 136 Ų | 136 | 140.2 Ų | 140.2 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -141.3 | 117.4 | 147.1 | -41.3 | 0 | 0 | 0 | 0 | 108.1 | V547 | V547-T549 PolarHBondContact O-N 3.08Š| ||
| 550 | H | 28.5 | Very low | 30.3 | Very low | 148 Ų | 148 | 141.7 Ų | 141.7 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | -72.3 | 143 | 169.2 | -72.6 | -112 | 0 | 0 | 0 | 109.9 | ||||
| 551 | F | 28.8 | Very low | 30.1 | Very low | 195 Ų | 195 | 141.7 Ų | 141.7 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | -178.8 | 138.8 | 111.5 | -86.6 | -59.7 | 0 | 0 | 0 | 109.9 | |||||
| 552 | P | 34.2 | Very low | 29.7 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | trans | -83.9 | 154.5 | 171.7 | 34.9 | -33.1 | 0 | 0 | 0 | 110.8 | ||||
| 553 | T | 28.7 | Very low | 29.5 | Very low | 130 Ų | 130 | 138.2 Ų | 138.2 | 80% | 0.798 | 79% | 0.791 | S | S | * | * | trans | -139.5 | 109.3 | 165.3 | -46.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 554 | C | 26.4 | Very low | 29.3 | Very low | 107 Ų | 107 | 138.5 Ų | 138.5 | 72% | 0.723 | 79% | 0.793 | S | S | * | * | trans | -61.1 | 137.9 | 166.9 | 180 | 0 | 0 | 0 | 0 | 109.2 | S556 | C554-S556 PolarHBondContact SG-OG 3.48Š| ||
| 555 | N | 30.8 | Very low | 29.1 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -115.5 | 49.2 | -174.1 | -156 | 53.3 | 0 | 0 | 0 | 112.2 | ||||
| 556 | S | 33.5 | Very low | 29.4 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | trans | -146.1 | 83.9 | 172.1 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | C554 | C554-S556 PolarHBondContact SG-OG 3.48Š| ||
| 557 | C | 28.5 | Very low | 29.2 | Very low | 132 Ų | 132 | 131 Ų | 131 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | trans | -162.6 | 134.6 | 150.5 | -95.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 558 | D | 27.5 | Very low | 29.1 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 92% | 0.92 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 162.7 | 165.2 | -86.8 | -65.1 | 0 | 0 | 0 | 110.7 | ||||
| 559 | S | 27.5 | Very low | 29 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -116.5 | 125.8 | -177.5 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 560 | V | 30.8 | Very low | 28.8 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -163.8 | 118.3 | 145.8 | 134.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 561 | C | 29.1 | Very low | 28.7 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 73% | 0.73 | 81% | 0.81 | S | S | * | * | trans | 54.5 | 150.7 | 153.5 | -58.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 562 | L | 27.9 | Very low | 28.6 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 76% | 0.759 | 80% | 0.801 | S | S | * | * | cis | -167.3 | 136.6 | -17.6 | -112 | 170.5 | 0 | 0 | 0 | 109.1 | ||||
| 563 | C | 27.1 | Very low | 28.4 | Very low | 114 Ų | 114 | 136 Ų | 136 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | trans | 59 | 155.2 | 159.5 | -73.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 564 | S | 28.2 | Very low | 28.4 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | cis | -152.2 | 168.3 | -8.3 | -105.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 565 | K | 24.8 | Very low | 28.6 | Very low | 201 Ų | 201 | 141 Ų | 141 | 87% | 0.874 | 81% | 0.813 | S | S | * | * | trans | -78.6 | 174.2 | 172.9 | -76.1 | -174.1 | 178.4 | -176.5 | 0 | 111.9 | ||||
| 566 | P | 38.8 | Very low | 28.6 | Very low | 130 Ų | 130 | 138.3 Ų | 138.3 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | cis | -134.2 | 172.6 | 8.7 | 41.9 | -25.3 | 0 | 0 | 0 | 117.1 | ||||
| 567 | G | 27.4 | Very low | 28.3 | Very low | 75 Ų | 75 | 142.1 Ų | 142.1 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | 164.3 | 115.6 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 568 | C | 25.2 | Very low | 28.3 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 90% | 0.899 | 81% | 0.811 | S | S | * | * | trans | -117.7 | 134.3 | 179.6 | -65.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 569 | S | 26.3 | Very low | 28.4 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -166 | 159.7 | 130.3 | -158.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 570 | C | 24.6 | Very low | 28.5 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | -131.5 | 128.7 | -171.9 | -51 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 571 | R | 25.8 | Very low | 28.4 | Very low | 236 Ų | 236 | 141.5 Ų | 141.5 | 89% | 0.891 | 81% | 0.811 | S | S | * | * | trans | 176.8 | 128.7 | 150.3 | -97.3 | 147.1 | 175.8 | -149.2 | -5.1 | 107.9 | ||||
| 572 | S | 28.3 | Very low | 28.5 | Very low | 96 Ų | 96 | 142.4 Ų | 142.4 | 67% | 0.671 | 82% | 0.818 | S | S | * | * | 79.1 | 95 | 50.2 | -171.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 573 | R | 30.1 | Very low | 28.5 | Very low | 229 Ų | 229 | 139 Ų | 139 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | -169.6 | 165.2 | 119.8 | -103.3 | 159.2 | -68.8 | -169.7 | 9.5 | 111.9 | |||||
| 574 | L | 28.4 | Very low | 28.9 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | trans | -88.4 | 155.1 | 173.7 | -62 | 162.5 | 0 | 0 | 0 | 109.8 | ||||
| 575 | H | 29.3 | Very low | 29 | Very low | 185 Ų | 185 | 140.7 Ų | 140.7 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | -173.7 | 157 | 116.4 | -97.4 | -69 | 0 | 0 | 0 | 110.2 | |||||
| 576 | P | 31.1 | Very low | 29.1 | Very low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | trans | -94.2 | 152.2 | -171.7 | 36.4 | -33.8 | 0 | 0 | 0 | 113.3 | ||||
| 577 | L | 27.4 | Very low | 29 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -133.5 | 138.6 | 156.4 | -75.1 | 176.5 | 0 | 0 | 0 | 109 | ||||
| 578 | V | 28 | Very low | 29 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 127 | 173.9 | 171.8 | 0 | 0 | 0 | 0 | 108.7 | ||
| 579 | P | 30.6 | Very low | 29.2 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 121.4 | 155 | -4.8 | 24.7 | 0 | 0 | 0 | 109.6 | ||
| 580 | L | 28.8 | Very low | 29.1 | Very low | 169 Ų | 169 | 145.4 Ų | 145.4 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 126.3 | 161.4 | -82.3 | 157.4 | 0 | 0 | 0 | 108.9 | ||
| 581 | S | 29.5 | Very low | 29.3 | Very low | 121 Ų | 121 | 147.6 Ų | 147.6 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | trans | -159.1 | 132.6 | 152.8 | -165.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 582 | S | 31.7 | Very low | 29.3 | Very low | 126 Ų | 126 | 143.6 Ų | 143.6 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | trans | -90.3 | 128.9 | 173.5 | -62.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 583 | G | 27.8 | Very low | 29.1 | Very low | 75 Ų | 75 | 148.4 Ų | 148.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -146.3 | 119.4 | 176 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 584 | V | 34.3 | Very low | 29.1 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -73.1 | 160.1 | -165.1 | -173.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 585 | T | 31.3 | Very low | 29.1 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | 83.7 | 122 | 172.9 | 76.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 586 | T | 27.2 | Very low | 29.2 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | trans | -170.4 | 132.7 | 139.1 | 11.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 587 | S | 35.9 | Very low | 29 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -96.8 | 94.7 | 172 | 54.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 588 | H | 27.5 | Very low | 29.1 | Very low | 149 Ų | 149 | 143 Ų | 143 | 69% | 0.69 | 78% | 0.777 | S | S | * | * | trans | -132.3 | 97.2 | -179.7 | -75.7 | -50.3 | 0 | 0 | 0 | 115.4 | F590 | H588-F590 PolarHBondContact O-N 2.97Š| ||
| 589 | H | 28.5 | Very low | 29.1 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | 25.8 | 87.6 | 125.4 | -168 | -63.4 | 0 | 0 | 0 | 117.1 | Q591 | H589-Q591 PolarHBondContact O-N 3.44Š| |||
| 590 | F | 24.8 | Very low | 29 | Very low | 206 Ų | 206 | 146.5 Ų | 146.5 | 90% | 0.904 | 78% | 0.775 | S | S | * | * | trans | -61.8 | 107 | 172.6 | -93.1 | -86.6 | 0 | 0 | 0 | 112.5 | H588 Q592 | H588-F590 PolarHBondContact O-N 2.97Å; F590-Q592 PolarHBondContact O-N 2.96Å | ||
| 591 | Q | 28.1 | Very low | 29.2 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | -82.9 | 97.9 | 169.5 | -172.7 | 168.1 | -5.7 | 0 | 0 | 110 | H589 F593 | H589-Q591 PolarHBondContact O-N 3.44Å; Q591-F593 PolarHBondContact O-N 3.32Å | ||
| 592 | Q | 27.2 | Very low | 29.1 | Very low | 153 Ų | 153 | 151.1 Ų | 151.1 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | trans | -69.2 | 92.4 | -167.9 | -169.7 | 177.6 | 69.4 | 0 | 0 | 113.9 | F590 K594 | F590-Q592 PolarHBondContact O-N 2.96Å; Q592-K594 HydrophobicContact CG-CG 4.25Å; Q592-K594 PolarHBondContact O-N 3.47Å | ||
| 593 | F | 24.3 | Very low | 29 | Very low | 197 Ų | 197 | 150.3 Ų | 150.3 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | trans | -70.4 | 104 | 166.9 | -94.7 | -89.5 | 0 | 0 | 0 | 111 | Q591 A595 | Q591-F593 PolarHBondContact O-N 3.32Å; F593-A595 PolarHBondContact O-N 3.45Å | ||
| 594 | K | 29.7 | Very low | 29.1 | Very low | 163 Ų | 163 | 154.7 Ų | 154.7 | 71% | 0.709 | 77% | 0.765 | S | S | * | * | trans | -84.6 | 81.2 | 170.1 | -70 | -171.3 | 177.2 | 175.9 | 0 | 111.1 | Q592 | Q592-K594 HydrophobicContact CG-CG 4.25Å; Q592-K594 PolarHBondContact O-N 3.47Å | ||
| 595 | A | 27.9 | Very low | 29 | Very low | 94 Ų | 94 | 154.3 Ų | 154.3 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | trans | -62 | 137.5 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | F593 | F593-A595 PolarHBondContact O-N 3.45Š| ||
| 596 | R | 31.2 | Very low | 29 | Very low | 184 Ų | 184 | 155.4 Ų | 155.4 | 69% | 0.694 | 76% | 0.757 | S | S | * | * | trans | -115.6 | 95.7 | -175.9 | -170.8 | -171.4 | -156 | -109.2 | -2.7 | 109.4 | E598 | R596-E598 IonicContact CZ-OE1 2.86Å; R596-E598 IonicContact NH1-OE1 3.05Å; R596-E598 PolarHBondContact NH1-OE1 3.05Å; R596-E598 PolarHBondContact O-N 2.91Å | ||
| 597 | E | 28.3 | Very low | 29 | Very low | 153 Ų | 153 | 156 Ų | 156 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | trans | -75.8 | 114 | 176.4 | -65.4 | -174.9 | 147.4 | 0 | 0 | 110.6 | W599 | E597-W599 PolarHBondContact O-N 3Š| ||
| 598 | E | 28.1 | Very low | 28.7 | Very low | 138 Ų | 138 | 155.5 Ų | 155.5 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | trans | -89.8 | 81.7 | -179.7 | -59.3 | -158.7 | 143.6 | 0 | 0 | 110.3 | R596 V600 | R596-E598 IonicContact CZ-OE1 2.86Å; R596-E598 IonicContact NH1-OE1 3.05Å; R596-E598 PolarHBondContact NH1-OE1 3.05Å; R596-E598 PolarHBondContact O-N 2.91Å; E598-V600 WeakPolarHBondContact O-CG2 3.44Å; E598-V600 PolarHBondContact O-N 3.49Å | ||
| 599 | W | 28 | Very low | 28.7 | Very low | 201 Ų | 201 | 159.9 Ų | 159.9 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -62.6 | 96.4 | 173.4 | -75.5 | 89.4 | 0 | 0 | 0 | 111.2 | E597 Q601 | E597-W599 PolarHBondContact O-N 3Å; W599-Q601 PolarHBondContact O-N 3.24Å; W599-Q601 VanDerWaalsContact O-N 3.1Å | ||
| 600 | V | 29.3 | Very low | 28.7 | Very low | 120 Ų | 120 | 160 Ų | 160 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | -72.6 | 101.3 | -178.6 | -178.9 | 0 | 0 | 0 | 0 | 110.5 | E598 R602 | E598-V600 WeakPolarHBondContact O-CG2 3.44Å; E598-V600 PolarHBondContact O-N 3.49Å; V600-R602 PolarHBondContact O-N 3.23Å | ||
| 601 | Q | 32.8 | Very low | 28.9 | Very low | 160 Ų | 160 | 155.2 Ų | 155.2 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -61.4 | 107.8 | 171.1 | -70.3 | 176.6 | -0.7 | 0 | 0 | 111 | W599 | W599-Q601 PolarHBondContact O-N 3.24Å; W599-Q601 VanDerWaalsContact O-N 3.1Å | ||
| 602 | R | 27.1 | Very low | 28.9 | Very low | 226 Ų | 226 | 155.3 Ų | 155.3 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -94.8 | 118.8 | 160.5 | -69.9 | -178.6 | 177 | 172.8 | 0.3 | 108.2 | V600 L604 | V600-R602 PolarHBondContact O-N 3.23Å; R602-L604 PolarHBondContact O-N 3.35Å | ||
| 603 | P | 29.6 | Very low | 29.3 | Very low | 110 Ų | 110 | 153.4 Ų | 153.4 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | trans | -68.7 | 129.8 | 171.4 | 28.3 | -32.7 | 0 | 0 | 0 | 109.7 | I605 | P603-I605 PolarHBondContact O-N 2.73Š| ||
| 604 | L | 30.4 | Very low | 30 | Very low | 167 Ų | 167 | 149 Ų | 149 | 87% | 0.874 | 76% | 0.758 | S | S | * | * | trans | -71.4 | 112.1 | 171.4 | -70.4 | 171.4 | 0 | 0 | 0 | 109 | R602 | R602-L604 PolarHBondContact O-N 3.35Š| ||
| 605 | I | 32.3 | Very low | 30.1 | Very low | 130 Ų | 130 | 147.1 Ų | 147.1 | 67% | 0.667 | 76% | 0.755 | S | S | * | * | trans | -92.8 | 99.2 | 173.3 | -54.6 | 177.5 | 0 | 0 | 0 | 108 | P603 N607 | P603-I605 PolarHBondContact O-N 2.73Å; I605-N607 VanDerWaalsContact CG2-ND2 3.35Å; I605-N607 WeakPolarHBondContact CG2-ND2 3.44Å; I605-N607 PolarHBondContact O-N 2.93Å; I605-N607 VanDerWaalsContact O-N 3.12Å | ||
| 606 | I | 30.8 | Very low | 30.1 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | trans | -73.1 | 101.5 | 172.9 | -58.5 | 177.6 | 0 | 0 | 0 | 108.3 | ||||
| 607 | N | 27.4 | Very low | 29.9 | Very low | 137 Ų | 137 | 144.3 Ų | 144.3 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | trans | -105.3 | 70.2 | 175.9 | -84.9 | -47.8 | 0 | 0 | 0 | 110.8 | I605 R609 | I605-N607 VanDerWaalsContact CG2-ND2 3.35Å; I605-N607 WeakPolarHBondContact CG2-ND2 3.44Å; I605-N607 PolarHBondContact O-N 2.93Å; I605-N607 VanDerWaalsContact O-N 3.12Å; N607-R609 PolarHBondContact O-N 3.32Å; N607-R609 VanDerWaalsContact O-N 3.15Å | ||
| 608 | S | 30.3 | Very low | 29.9 | Very low | 106 Ų | 106 | 148.3 Ų | 148.3 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | -82.5 | 81 | 172.8 | 41.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 609 | R | 26.2 | Very low | 29.8 | Very low | 240 Ų | 240 | 147.4 Ų | 147.4 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | trans | -85.5 | 105.9 | 163 | -75.2 | -171.4 | 177.7 | -156.6 | -0.4 | 109.9 | N607 | N607-R609 PolarHBondContact O-N 3.32Å; N607-R609 VanDerWaalsContact O-N 3.15Å | ||
| 610 | L | 29.3 | Very low | 29.6 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | trans | -116.8 | 157.3 | 158.3 | -75.1 | 173.3 | 0 | 0 | 0 | 110.1 | ||||
| 611 | S | 27.6 | Very low | 29.5 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | -114.1 | 122.6 | -154.4 | 50.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 612 | N | 29.4 | Very low | 29.3 | Very low | 160 Ų | 160 | 140.3 Ų | 140.3 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -65.5 | 142.7 | 160.2 | -60 | -15.9 | 0 | 0 | 0 | 109.9 | ||||
| 613 | P | 35.8 | Very low | 29.7 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | -150.5 | -178.6 | 103.9 | 39.7 | -23.9 | 0 | 0 | 0 | 113.8 | |||||
| 614 | P | 38.1 | Very low | 29.5 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | cis | -129.7 | 168.3 | -24 | 25 | -3.3 | 0 | 0 | 0 | 115.6 | ||||
| 615 | N | 32.6 | Very low | 29.2 | Very low | 122 Ų | 122 | 139.2 Ų | 139.2 | 65% | 0.652 | 75% | 0.747 | S | S | * | * | trans | -12.2 | 158.3 | 147.9 | -39.7 | -63.9 | 0 | 0 | 0 | 118.5 | ||||
| 616 | Y | 28.5 | Very low | 29 | Very low | 153 Ų | 153 | 141.6 Ų | 141.6 | 60% | 0.6 | 75% | 0.753 | S | S | * | * | cis | -149.3 | 163 | 30.2 | -63.2 | -104.3 | 0 | 0 | 0 | 110.4 | ||||
| 617 | G | 26.4 | Very low | 28.8 | Very low | 67 Ų | 67 | 140.6 Ų | 140.6 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | cis | 173.1 | 176.9 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 618 | R | 26.9 | Very low | 28.9 | Very low | 237 Ų | 237 | 145.4 Ų | 145.4 | 89% | 0.894 | 77% | 0.767 | S | S | * | * | trans | 34.5 | 137.6 | 139.1 | -116.1 | -162.3 | -84.6 | -112.3 | 6 | 119.3 | ||||
| 619 | V | 26.6 | Very low | 28.9 | Very low | 118 Ų | 118 | 150.2 Ų | 150.2 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | cis | -149.9 | 167.1 | 25.1 | -163.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 620 | S | 25.1 | Very low | 28.9 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 69% | 0.692 | 77% | 0.769 | S | S | * | * | trans | -57.4 | 168.8 | 159.3 | 60.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 621 | S | 27.3 | Very low | 28.9 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | -176.4 | 159 | 73.6 | -57.5 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 622 | T | 27.8 | Very low | 29 | Very low | 130 Ų | 130 | 148.2 Ų | 148.2 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | -63.8 | 174.1 | 159.7 | 57.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 623 | P | 35.1 | Very low | 29 | Very low | 108 Ų | 108 | 148.7 Ų | 148.7 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | cis | -150.5 | -165.9 | 18.9 | 46.3 | -25.3 | 0 | 0 | 0 | 117.8 | ||||
| 624 | R | 25.3 | Very low | 28.7 | Very low | 232 Ų | 232 | 148.1 Ų | 148.1 | 88% | 0.875 | 76% | 0.759 | S | S | * | * | trans | 71.7 | 100.6 | 150.1 | -78.1 | -177.6 | 175.5 | -121.3 | -4.2 | 122 | ||||
| 625 | H | 25.1 | Very low | 28.4 | Very low | 140 Ų | 140 | 152.5 Ų | 152.5 | 65% | 0.648 | 76% | 0.762 | S | S | * | * | 55.5 | 108 | 104.5 | -140.2 | -95.3 | 0 | 0 | 0 | 120.5 | |||||
| 626 | K | 26.7 | Very low | 28.3 | Very low | 179 Ų | 179 | 155.9 Ų | 155.9 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | trans | 57.5 | 111.6 | 155.7 | -65.5 | -177.5 | -179.1 | -179.6 | 0 | 119.4 | ||||
| 627 | S | 27.4 | Very low | 28.3 | Very low | 125 Ų | 125 | 154.9 Ų | 154.9 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | -169 | 164.4 | 103.3 | 56.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 628 | R | 30.6 | Very low | 28.5 | Very low | 238 Ų | 238 | 159.9 Ų | 159.9 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | trans | -84.5 | 134 | 178.3 | -62.7 | 171.6 | 174 | 171 | -5 | 110.8 | ||||
| 629 | K | 29.9 | Very low | 28.5 | Very low | 207 Ų | 207 | 160.5 Ų | 160.5 | 90% | 0.9 | 77% | 0.771 | S | S | * | * | 179.3 | 146.7 | 117.7 | -97.9 | 162.5 | -177.5 | -180 | 0 | 112.7 | |||||
| 630 | C | 25.6 | Very low | 28.8 | Very low | 118 Ų | 118 | 158.1 Ų | 158.1 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -79.7 | 135.2 | 172.9 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 631 | K | 28.4 | Very low | 28.9 | Very low | 191 Ų | 191 | 159.8 Ų | 159.8 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | -174.5 | 139.7 | 120.4 | -99.8 | 173 | -177.4 | -173 | 0 | 111 | |||||
| 632 | Q | 30.8 | Very low | 29.2 | Very low | 166 Ų | 166 | 161.9 Ų | 161.9 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -126.8 | 126.2 | 179.5 | -172.9 | -168.4 | 75.3 | 0 | 0 | 109.9 | ||||
| 633 | H | 29.3 | Very low | 29.3 | Very low | 170 Ų | 170 | 161.1 Ų | 161.1 | 79% | 0.787 | 77% | 0.774 | S | S | * | * | trans | -133.2 | 115.2 | 156.3 | -63.2 | -64.6 | 0 | 0 | 0 | 105.4 | ||||
| 634 | V | 29.8 | Very low | 29 | Very low | 101 Ų | 101 | 162.5 Ų | 162.5 | 61% | 0.612 | 78% | 0.78 | S | S | * | * | 62.8 | 111.6 | 72.5 | 179.2 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 635 | R | 32 | Very low | 29.4 | Very low | 198 Ų | 198 | 155 Ų | 155 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | -171.9 | 140.9 | 55.4 | -135.7 | 160.5 | -168.6 | -159.4 | 5 | 112.9 | |||||
| 636 | R | 29.6 | Very low | 30.4 | Very low | 193 Ų | 193 | 152.9 Ų | 152.9 | 73% | 0.728 | 76% | 0.762 | S | S | * | * | trans | 65 | 161.4 | 145.2 | -70.3 | 175.5 | -175.8 | -154.4 | -2.5 | 118.9 | ||||
| 637 | Q | 28.3 | Very low | 30.6 | Very low | 131 Ų | 131 | 150.6 Ų | 150.6 | 61% | 0.612 | 76% | 0.757 | S | S | * | * | cis | -156.8 | 159.7 | -7.4 | -127.7 | -177.3 | 16.6 | 0 | 0 | 113.8 | ||||
| 638 | K | 31 | Very low | 30.7 | Very low | 172 Ų | 172 | 156.3 Ų | 156.3 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | 70 | 132.3 | 148.2 | -75.5 | 173.8 | 178.2 | 177.7 | 0 | 122.5 | ||||
| 639 | R | 28 | Very low | 30.6 | Very low | 250 Ų | 250 | 150 Ų | 150 | 94% | 0.943 | 75% | 0.751 | S | S | * | * | trans | 12.9 | 143.9 | 142.1 | -57.8 | -179.7 | 174.3 | -142.5 | -1.3 | 119.6 | ||||
| 640 | G | 31.9 | Very low | 31.3 | Very low | 69 Ų | 69 | 146 Ų | 146 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | cis | 148.2 | -179 | -0.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 641 | V | 27.5 | Very low | 31.4 | Very low | 133 Ų | 133 | 143.7 Ų | 143.7 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | trans | 88.6 | 105.1 | 165.7 | -176.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 642 | L | 33.8 | Very low | 31.7 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | 50 | 153.2 | 132.4 | -48.5 | -178.6 | 0 | 0 | 0 | 122.6 | ||||
| 643 | T | 28.4 | Very low | 31.8 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | cis | -171.2 | 173.1 | -11.9 | 27.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 644 | V | 29.2 | Very low | 31.7 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 83% | 0.83 | 74% | 0.743 | S | S | * | * | trans | 88.3 | 147.2 | 157.6 | -156.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 645 | S | 33.2 | Very low | 31.7 | Very low | 74 Ų | 74 | 137 Ų | 137 | 52% | 0.517 | 74% | 0.735 | S | S | . | * | trans | -115.3 | -148.1 | -178.4 | -36.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 646 | P | 46.3 | Very low | 31.7 | Very low | 97 Ų | 97 | 133.4 Ų | 133.4 | 63% | 0.63 | 73% | 0.726 | S | S | * | * | cis | -127.4 | -171.4 | -8.3 | 22.3 | 5.8 | 0 | 0 | 0 | 113.6 | ||||
| 647 | I | 32.2 | Very low | 31.9 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 67% | 0.667 | 73% | 0.733 | S | S | * | * | 170.4 | 147.7 | 90.6 | -94.7 | 171.9 | 0 | 0 | 0 | 113.7 | |||||
| 648 | R | 28.2 | Very low | 32 | Very low | 245 Ų | 245 | 139.7 Ų | 139.7 | 93% | 0.925 | 74% | 0.744 | S | S | * | * | trans | 69.6 | 173.1 | 156.2 | -90 | 173.5 | 161.9 | 149 | -5.2 | 125.1 | ||||
| 649 | S | 28.7 | Very low | 32.2 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | trans | -155.1 | -161.8 | -163.3 | 60 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 650 | P | 44.3 | Very low | 32.7 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 80% | 0.799 | 73% | 0.734 | S | S | * | * | cis | -141.4 | -174.2 | -10.4 | 43.3 | -23.8 | 0 | 0 | 0 | 117.5 | ||||
| 651 | G | 28.3 | Very low | 32.8 | Very low | 71 Ų | 71 | 138.3 Ų | 138.3 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | trans | 90.8 | 173.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 652 | S | 34.8 | Very low | 33.4 | Very low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 73% | 0.734 | S | S | * | * | cis | 166.8 | 149.5 | -33.4 | 47.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 653 | A | 32.2 | Very low | 33.4 | Very low | 87 Ų | 87 | 143.3 Ų | 143.3 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | cis | -175.7 | 171.1 | -18.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 654 | W | 27.3 | Very low | 33.8 | Very low | 217 Ų | 217 | 146.4 Ų | 146.4 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | trans | 73.5 | 172 | 168.2 | -79.6 | 30.4 | 0 | 0 | 0 | 120 | ||||
| 655 | S | 30.8 | Very low | 34.1 | Very low | 62 Ų | 62 | 151 Ų | 151 | 43% | 0.434 | 74% | 0.742 | S | S | . | * | 178.6 | 149.5 | -68.6 | 63.5 | 0 | 0 | 0 | 0 | 114.9 | C819 | S655-C819 CarbonylContact C-O 3.6Å; S655-C819 PolarHBondContact N-O 2.96Å; S655-C819 VanDerWaalsContact N-O 3.12Å; S655-C819 CarbonylContact O-C 3.48Å | |||
| 656 | Q | 32.8 | Very low | 34.3 | Very low | 122 Ų | 122 | 156 Ų | 156 | 57% | 0.57 | 76% | 0.755 | S | S | * | * | trans | -163.6 | -167 | 165.8 | -119.3 | 178.5 | 30.1 | 0 | 0 | 120.5 | M818 | Q656-M818 VanDerWaalsContact NE2-CA 3.28Å; Q656-M818 VanDerWaalsContact NE2-N 3.14Å | ||
| 657 | R | 33.2 | Very low | 33.6 | Very low | 232 Ų | 232 | 162.7 Ų | 162.7 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | trans | -140.9 | 159.4 | -162.9 | -63.5 | 172.5 | 163.3 | -172.5 | -3 | 116.4 | ||||
| 658 | R | 30 | Very low | 33.4 | Very low | 224 Ų | 224 | 160.2 Ų | 160.2 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -172.9 | 135.4 | 140 | -99.2 | 155.2 | -158.2 | -127.5 | 7.3 | 111.3 | ||||
| 659 | R | 35.8 | Very low | 33.5 | Very low | 227 Ų | 227 | 158.2 Ų | 158.2 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | 64.1 | 140.8 | 87.7 | -70.4 | -172.4 | 178.9 | 173.8 | 0.2 | 115.8 | |||||
| 660 | S | 37.9 | Very low | 33.5 | Very low | 88 Ų | 88 | 162.6 Ų | 162.6 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | cis | 179.9 | 157.9 | -8.7 | 58 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 661 | N | 34.3 | Very low | 32.6 | Very low | 147 Ų | 147 | 161.8 Ų | 161.8 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | 71.1 | 151.3 | 153.6 | -60.9 | -44 | 0 | 0 | 0 | 119.4 | ||||
| 662 | K | 39.3 | Very low | 32.5 | Very low | 169 Ų | 169 | 169.5 Ų | 169.5 | 74% | 0.735 | 77% | 0.77 | S | S | * | * | -176 | 145.4 | 51.6 | -128.4 | 156.4 | -175.7 | 173.9 | 0 | 113.6 | |||||
| 663 | R | 34.9 | Very low | 32.3 | Very low | 218 Ų | 218 | 171.8 Ų | 171.8 | 82% | 0.823 | 77% | 0.771 | S | S | * | * | trans | 64.6 | 167.1 | 147.1 | -70 | 168.5 | 178.4 | -171 | -2.2 | 121.7 | ||||
| 664 | K | 36.1 | Very low | 32.3 | Very low | 179 Ų | 179 | 172.9 Ų | 172.9 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | cis | -175.9 | 149.6 | -49.8 | -131.9 | 175.4 | -177 | 175 | 0 | 113 | ||||
| 665 | R | 34.6 | Very low | 32.5 | Very low | 232 Ų | 232 | 170.5 Ų | 170.5 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | trans | 76.1 | 165.6 | 160.7 | -61 | 169.8 | 169.9 | 169.5 | -5.8 | 119.1 | ||||
| 666 | K | 37.4 | Very low | 32.8 | Very low | 179 Ų | 179 | 173.5 Ų | 173.5 | 78% | 0.778 | 78% | 0.776 | S | S | * | * | cis | -175 | 139.5 | -46.3 | -154.9 | 179.5 | -174.3 | -179.2 | 0 | 113.1 | ||||
| 667 | R | 31.8 | Very low | 32.9 | Very low | 239 Ų | 239 | 173.8 Ų | 173.8 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | trans | 77 | 135 | 149.9 | -105.3 | -175.1 | -179.6 | -165.6 | 0.3 | 123.4 | ||||
| 668 | G | 27.8 | Very low | 33 | Very low | 77 Ų | 77 | 169.9 Ų | 169.9 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 112 | 165.3 | 142.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 669 | R | 31.1 | Very low | 33.1 | Very low | 203 Ų | 203 | 166.6 Ų | 166.6 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | -158.6 | 125.2 | -76.4 | -135.9 | -155.8 | -153.7 | -68.1 | 8.8 | 112.3 | |||||
| 670 | R | 28.6 | Very low | 32.9 | Very low | 198 Ų | 198 | 161 Ų | 161 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | 62.7 | 129.9 | 152 | -89.2 | -159.8 | -68.1 | -139.9 | 8 | 124 | ||||
| 671 | C | 25.5 | Very low | 32.6 | Very low | 106 Ų | 106 | 164 Ų | 164 | 72% | 0.716 | 77% | 0.771 | S | S | * | * | 117.8 | 130.7 | 124.3 | -84 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 672 | R | 26.8 | Very low | 32.4 | Very low | 232 Ų | 232 | 166 Ų | 166 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | 60.6 | 132 | 151.8 | -64.2 | -174.6 | -173.3 | -116.1 | 7.6 | 122.3 | ||||
| 673 | L | 30 | Very low | 32.2 | Very low | 169 Ų | 169 | 166.2 Ų | 166.2 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | -155.1 | 174.8 | 128.6 | -159.2 | 52.2 | 0 | 0 | 0 | 109.9 | |||||
| 674 | T | 31.3 | Very low | 31.9 | Very low | 111 Ų | 111 | 161.7 Ų | 161.7 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | trans | -149.6 | 152.4 | -162.9 | 46.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 675 | K | 31.6 | Very low | 31.6 | Very low | 167 Ų | 167 | 157.7 Ų | 157.7 | 73% | 0.726 | 76% | 0.758 | S | S | * | * | trans | 177 | 145.1 | 143.2 | -94.1 | -165.3 | 164.2 | -139.6 | 0 | 108.2 | ||||
| 676 | D | 37.2 | Very low | 31.4 | Very low | 124 Ų | 124 | 154.2 Ų | 154.2 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | cis | 76.8 | 136.8 | 45.1 | -42.5 | -32.8 | 0 | 0 | 0 | 110.9 | ||||
| 677 | D | 35.1 | Very low | 31.1 | Very low | 129 Ų | 129 | 153.6 Ų | 153.6 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | cis | -144.2 | 169.4 | 25 | -67.6 | -82.5 | 0 | 0 | 0 | 114.8 | ||||
| 678 | Q | 36.3 | Very low | 30.9 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | -6.2 | 163.4 | 155.9 | -92.1 | 69 | -13.3 | 0 | 0 | 122.2 | ||||
| 679 | D | 31.6 | Very low | 31 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | -156.2 | -162.3 | 55.2 | -115.6 | -35 | 0 | 0 | 0 | 117.5 | |||||
| 680 | V | 32.3 | Very low | 30.8 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 66% | 0.661 | 75% | 0.746 | S | S | * | * | trans | -144.8 | 156.3 | -133.9 | 157.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 681 | L | 31.5 | Very low | 30.9 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | 68.7 | 159.8 | 169.8 | -104.6 | 58.9 | 0 | 0 | 0 | 116.7 | ||||
| 682 | Y | 30 | Very low | 31 | Very low | 189 Ų | 189 | 140.2 Ų | 140.2 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | cis | -141.6 | 158.3 | 36.4 | -158.4 | -100.7 | 0 | 0 | 0 | 114.7 | L684 | Y682-L684 HydrophobicContact CE1-CD1 3.98Å; Y682-L684 HydrophobicContact CE1-CG 4.21Å | ||
| 683 | Q | 35.7 | Very low | 31.3 | Very low | 175 Ų | 175 | 134.9 Ų | 134.9 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -155.4 | 125.7 | 178.9 | -179.7 | -175.2 | 19.9 | 0 | 0 | 111.8 | ||||
| 684 | L | 27.6 | Very low | 31.2 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 64% | 0.644 | 72% | 0.721 | S | S | * | * | trans | -152.1 | 123.8 | 163.8 | -82.5 | 175.5 | 0 | 0 | 0 | 106.9 | Y682 | Y682-L684 HydrophobicContact CE1-CD1 3.98Å; Y682-L684 HydrophobicContact CE1-CG 4.21Å | ||
| 685 | C | 29.9 | Very low | 31.3 | Very low | 95 Ų | 95 | 134.5 Ų | 134.5 | 64% | 0.642 | 72% | 0.722 | S | S | * | * | 63.3 | 103.7 | 86.3 | -58 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 686 | D | 30.8 | Very low | 31.2 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | 84.3 | 124.4 | 71.1 | -77.7 | -32.3 | 0 | 0 | 0 | 113.2 | |||||
| 687 | L | 30.3 | Very low | 31 | Very low | 166 Ų | 166 | 136.2 Ų | 136.2 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | 163.8 | 133.3 | 117.9 | -173.7 | 62.3 | 0 | 0 | 0 | 113.5 | |||||
| 688 | G | 28.1 | Very low | 30.7 | Very low | 62 Ų | 62 | 136.3 Ų | 136.3 | 64% | 0.639 | 73% | 0.729 | S | S | * | * | trans | 92 | 154.8 | 147.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 689 | D | 29.5 | Very low | 30.4 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | cis | -176.5 | 165.8 | -30.1 | -112.4 | -42.1 | 0 | 0 | 0 | 109.6 | ||||
| 690 | S | 27 | Very low | 30.3 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | trans | 65 | 111.7 | 164.3 | -118 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 691 | S | 30 | Very low | 30.4 | Very low | 94 Ų | 94 | 136.2 Ų | 136.2 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | 88.3 | 146.9 | 75.7 | 78.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 692 | N | 29.4 | Very low | 30.1 | Very low | 134 Ų | 134 | 136.9 Ų | 136.9 | 72% | 0.717 | 73% | 0.725 | S | S | * | * | cis | -158.8 | -176.8 | 9.1 | -142.5 | 43.1 | 0 | 0 | 0 | 113.2 | ||||
| 693 | D | 31.9 | Very low | 30.1 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 65% | 0.647 | 72% | 0.723 | S | S | * | * | trans | 83.3 | 136.3 | 157.5 | -63.3 | -6.7 | 0 | 0 | 0 | 118.9 | ||||
| 694 | M | 28.1 | Very low | 29.9 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | cis | -159 | 145.3 | -7.1 | -102.5 | -77.2 | 163.5 | 0 | 0 | 110.3 | ||||
| 695 | L | 34.3 | Very low | 29.9 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 72% | 0.717 | 73% | 0.73 | S | S | * | * | trans | 51.8 | 147.2 | 148.8 | -67.6 | 167.5 | 0 | 0 | 0 | 120.7 | ||||
| 696 | E | 29.5 | Very low | 29.9 | Very low | 163 Ų | 163 | 138.3 Ų | 138.3 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | cis | -151.5 | 129.4 | -3.5 | -156.7 | 155.9 | -143.7 | 0 | 0 | 109.9 | ||||
| 697 | E | 32.4 | Very low | 29.6 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | 23.2 | 155.7 | 128.9 | -89.5 | -168.1 | -145.4 | 0 | 0 | 123.9 | |||||
| 698 | N | 28.8 | Very low | 29.9 | Very low | 130 Ų | 130 | 132 Ų | 132 | 70% | 0.695 | 74% | 0.735 | S | S | * | * | cis | -152.8 | -174.4 | -3.6 | -146.8 | -28.4 | 0 | 0 | 0 | 113.2 | ||||
| 699 | Y | 30.9 | Very low | 30.1 | Very low | 205 Ų | 205 | 141.1 Ų | 141.1 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | -103 | 165.7 | -166.6 | -110.5 | -106.5 | 0 | 0 | 0 | 116.6 | ||||
| 700 | G | 28.4 | Very low | 30 | Very low | 68 Ų | 68 | 137.2 Ų | 137.2 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -167 | 110.7 | 146.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 701 | Q | 33.7 | Very low | 30.1 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 65% | 0.65 | 75% | 0.754 | S | S | * | * | cis | 61.2 | 123 | 43.8 | -134.7 | 177.4 | 13.9 | 0 | 0 | 110.3 | ||||
| 702 | F | 26.5 | Very low | 30.5 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 72% | 0.719 | 76% | 0.762 | S | S | * | * | -154.3 | 179.6 | 52.7 | -75.6 | -88.3 | 0 | 0 | 0 | 111.3 | |||||
| 703 | T | 29 | Very low | 30.8 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | cis | -152.4 | 162.1 | 8.5 | -15.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 704 | L | 31.5 | Very low | 31 | Very low | 149 Ų | 149 | 154.2 Ų | 154.2 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | -12.8 | 159.3 | 151.7 | -85.3 | 77.2 | 0 | 0 | 0 | 119.8 | ||||
| 705 | S | 27.6 | Very low | 31.5 | Very low | 116 Ų | 116 | 156.1 Ų | 156.1 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | cis | -155 | 165.4 | 44.2 | -159.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 706 | R | 29.9 | Very low | 31.4 | Very low | 231 Ų | 231 | 158.5 Ų | 158.5 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -113.8 | 133.5 | -173.5 | 176.4 | 176 | 69.8 | -179.9 | 0.8 | 110.6 | ||||
| 707 | G | 25.8 | Very low | 32 | Very low | 83 Ų | 83 | 162.2 Ų | 162.2 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -146.7 | 108 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 708 | S | 35.9 | Very low | 32.5 | Very low | 107 Ų | 107 | 157.7 Ų | 157.7 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | -127 | 134.3 | 176.2 | 61.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 709 | R | 31.1 | Very low | 33.2 | Very low | 255 Ų | 255 | 163 Ų | 163 | 96% | 0.962 | 81% | 0.811 | S | S | * | * | trans | 179.6 | 128.3 | 151.6 | -102 | 162.1 | -172.4 | -134.1 | -0.2 | 108.1 | ||||
| 710 | G | 29.3 | Very low | 33.9 | Very low | 66 Ų | 66 | 159.2 Ų | 159.2 | 68% | 0.68 | 81% | 0.809 | S | S | * | * | trans | -96.5 | 170.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 711 | F | 28.7 | Very low | 34.7 | Very low | 209 Ų | 209 | 166.7 Ų | 166.7 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -164 | 161.1 | 142 | -123.4 | -86 | 0 | 0 | 0 | 111.2 | ||||
| 712 | L | 38.4 | Very low | 35.8 | Very low | 155 Ų | 155 | 163.1 Ų | 163.1 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -61.9 | 134.9 | -177.8 | -66.7 | 153.6 | 0 | 0 | 0 | 113.4 | ||||
| 713 | R | 35.6 | Very low | 37.1 | Very low | 254 Ų | 254 | 161.8 Ų | 161.8 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | trans | -138.6 | 150.7 | 149.9 | -89.3 | -156.7 | -90.9 | -136.3 | -0.6 | 113.3 | ||||
| 714 | K | 36.1 | Very low | 38.5 | Very low | 191 Ų | 191 | 163 Ų | 163 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | -74 | 154.4 | -171.3 | -66.2 | 172.3 | 178.4 | 171.5 | 0 | 112.6 | ||||
| 715 | H | 38.9 | Very low | 39.6 | Very low | 174 Ų | 174 | 161.4 Ų | 161.4 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | trans | 35 | 109 | 154.8 | -57.3 | -54.7 | 0 | 0 | 0 | 118.8 | ||||
| 716 | H | 31.6 | Very low | 41.1 | Very low | 187 Ų | 187 | 161.5 Ų | 161.5 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -117.8 | 109.6 | 139.2 | -110.6 | -72.4 | 0 | 0 | 0 | 110.6 | ||||
| 717 | R | 42.7 | Very low | 42.2 | Very low | 241 Ų | 241 | 156.5 Ų | 156.5 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -68 | 148.3 | 152.1 | -78.5 | -175.7 | 172.2 | -167.6 | -0.7 | 107.7 | ||||
| 718 | G | 42.5 | Very low | 43.4 | Very low | 71 Ų | 71 | 158.7 Ų | 158.7 | 73% | 0.732 | 77% | 0.772 | S | S | * | * | trans | 87.4 | 58.3 | 166 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 719 | R | 42.5 | Very low | 43.7 | Very low | 241 Ų | 241 | 158.3 Ų | 158.3 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | trans | -91.2 | 116.8 | 133.8 | -76.7 | -170.5 | 178.8 | -103.4 | -0.1 | 107.1 | ||||
| 720 | V | 45.8 | Very low | 44.3 | Very low | 125 Ų | 125 | 152.3 Ų | 152.3 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | trans | -68.1 | 135.3 | 168.4 | 176.1 | 0 | 0 | 0 | 0 | 106.4 | N722 | V720-N722 PolarHBondContact O-N 3.43Š| ||
| 721 | Y | 45.9 | Very low | 45.5 | Very low | 225 Ų | 225 | 155.8 Ų | 155.8 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | trans | -71.5 | 88.2 | 162.4 | -67.5 | -73.8 | 0 | 0 | 0 | 107.2 | I723 | Y721-I723 PolarHBondContact O-N 2.84Š| ||
| 722 | N | 55.7 | Low | 46.2 | Very low | 64 Ų | 64 | 149.7 Ų | 149.7 | 34% | 0.342 | 74% | 0.742 | S | S | . | * | trans | -68.2 | 123.7 | 167.5 | -173.8 | 25.2 | 0 | 0 | 0 | 107.1 | V720 D724 D725 | V720-N722 PolarHBondContact O-N 3.43Å; N722-D724 PolarHBondContact O-N 3.45Å; N722-D725 HydrophobicContact CB-CB 3.98Å; N722-D725 WeakPolarHBondContact CB-OD2 3.22Å; N722-D725 PolarHBondContact ND2-OD1 2.83Å; N722-D725 PolarHBondContact O-N 3.04Å; N722-D725 VanDerWaalsContact O-N 3.17Å | ||
| 723 | I | 55.5 | Low | 46.8 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 70% | 0.697 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -68.9 | -28.4 | -178.9 | -59.6 | 172.5 | 0 | 0 | 0 | 109.4 | Y721 D725 I726 | Y721-I723 PolarHBondContact O-N 2.84Å; I723-D725 VanDerWaalsContact C-N 3.28Å; I723-D725 PolarHBondContact O-N 3.4Å; I723-I726 PolarHBondContact O-N 3.18Å |
| 724 | D | 57.5 | Low | 47.3 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -76.3 | -11 | 176.8 | -46.1 | -36.9 | 0 | 0 | 0 | 113 | N722 | N722-D724 PolarHBondContact O-N 3.45Š|
| 725 | D | 55.1 | Low | 47.7 | Very low | 116 Ų | 116 | 139.5 Ų | 139.5 | 62% | 0.62 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -88.9 | -2.2 | 173.6 | -68.3 | 1.4 | 0 | 0 | 0 | 112.3 | N722 I723 V727 | N722-D725 HydrophobicContact CB-CB 3.98Å; N722-D725 WeakPolarHBondContact CB-OD2 3.22Å; N722-D725 PolarHBondContact ND2-OD1 2.83Å; N722-D725 PolarHBondContact O-N 3.04Å; N722-D725 VanDerWaalsContact O-N 3.17Å; I723-D725 VanDerWaalsContact C-N 3.28Å; I723-D725 PolarHBondContact O-N 3.4Å; D725-V727 VanDerWaalsContact C-N 3.25Å; D725-V727 PolarHBondContact O-N 3.42Å |
| 726 | I | 59.7 | Low | 48.3 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 61% | 0.605 | 73% | 0.732 | S | S | * | * | trans | -78.1 | 81.8 | 173.1 | -51.9 | 179.7 | 0 | 0 | 0 | 108.3 | I723 I728 | I723-I726 PolarHBondContact O-N 3.18Å; I726-I728 HydrophobicContact CG2-CG1 4.12Å; I726-I728 PolarHBondContact O-N 2.85Å | ||
| 727 | V | 51.6 | Low | 49.3 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | trans | -68.4 | 83.7 | 169.6 | -175 | 0 | 0 | 0 | 0 | 108.8 | D725 P729 | D725-V727 VanDerWaalsContact C-N 3.25Å; D725-V727 PolarHBondContact O-N 3.42Å; V727-P729 WeakPolarHBondContact O-CD 3.39Å | ||
| 728 | I | 52.1 | Low | 50.3 | Low | 128 Ų | 128 | 135 Ų | 135 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | trans | -63.9 | 121.6 | 155.1 | -56.6 | 176.3 | 0 | 0 | 0 | 105.3 | I726 V730 | I726-I728 HydrophobicContact CG2-CG1 4.12Å; I726-I728 PolarHBondContact O-N 2.85Å; I728-V730 PolarHBondContact O-N 2.82Å | ||
| 729 | P | 41.3 | Very low | 51.3 | Low | 100 Ų | 100 | 139.9 Ų | 139.9 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | trans | -65.4 | 101 | 173 | 26.6 | -32.4 | 0 | 0 | 0 | 108.4 | V727 I731 | V727-P729 WeakPolarHBondContact O-CD 3.39Å; P729-I731 VanDerWaalsContact C-N 3.31Å; P729-I731 PolarHBondContact O-N 3.29Å | ||
| 730 | V | 44.5 | Very low | 52.1 | Low | 128 Ų | 128 | 135.6 Ų | 135.6 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | trans | -68.4 | 95.8 | 167.7 | 177.8 | 0 | 0 | 0 | 0 | 106.3 | I728 P732 | I728-V730 PolarHBondContact O-N 2.82Å; V730-P732 WeakPolarHBondContact O-CD 3.4Å | ||
| 731 | I | 52.9 | Low | 53 | Low | 140 Ų | 140 | 138.2 Ų | 138.2 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | trans | -63.6 | 113.3 | 172.8 | -62.1 | 169.6 | 0 | 0 | 0 | 106.9 | P729 | P729-I731 VanDerWaalsContact C-N 3.31Å; P729-I731 PolarHBondContact O-N 3.29Å | ||
| 732 | P | 43.8 | Very low | 53.7 | Low | 81 Ų | 81 | 137.4 Ų | 137.4 | 53% | 0.526 | 72% | 0.723 | S | S | . | * | trans | -68.3 | 158 | 170.2 | -11.5 | 29.3 | 0 | 0 | 0 | 108.9 | V730 L734 | V730-P732 WeakPolarHBondContact O-CD 3.4Å; P732-L734 PolarHBondContact O-N 2.86Å | ||
| 733 | P | 51.6 | Low | 54.3 | Low | 133 Ų | 133 | 143.3 Ų | 143.3 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -72.8 | 67.7 | 175.1 | 32.1 | -35.8 | 0 | 0 | 0 | 111 | ||
| 734 | L | 46.2 | Very low | 54.7 | Low | 160 Ų | 160 | 144 Ų | 144 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -137.9 | 22.6 | -177.1 | -112.8 | 168.8 | 0 | 0 | 0 | 113 | P732 | P732-L734 PolarHBondContact O-N 2.86Š| ||
| 735 | S | 44.7 | Very low | 55 | Low | 92 Ų | 92 | 144.1 Ų | 144.1 | 64% | 0.643 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -97.1 | 134.1 | 136 | 54.1 | 0 | 0 | 0 | 0 | 108.1 | ||
| 736 | K | 52 | Low | 55.6 | Low | 194 Ų | 194 | 146.3 Ų | 146.3 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -56.1 | 149.9 | 150.1 | -76.4 | 178.1 | 175.4 | 176.1 | 0 | 106.7 | E738 | K736-E738 PolarHBondContact O-N 2.69Š| ||
| 737 | V | 53.1 | Low | 55.4 | Low | 147 Ų | 147 | 146.1 Ų | 146.1 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | trans | -71.8 | 77 | 156.3 | -176 | 0 | 0 | 0 | 0 | 106.4 | K739 | V737-K739 PolarHBondContact O-N 2.8Š| ||
| 738 | E | 63.6 | Low | 55.8 | Low | 168 Ų | 168 | 145.1 Ų | 145.1 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -59.6 | 109.6 | 164.3 | -177.5 | 167.3 | -154.8 | 0 | 0 | 105.7 | K736 L740 | K736-E738 PolarHBondContact O-N 2.69Å; E738-L740 PolarHBondContact O-N 3.11Å | ||
| 739 | K | 62.6 | Low | 56.1 | Low | 172 Ų | 172 | 150.2 Ų | 150.2 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | trans | -55.5 | 106.6 | 172.4 | 176 | -175.9 | 178.5 | -177.2 | 0 | 105.6 | V737 Q741 | V737-K739 PolarHBondContact O-N 2.8Å; K739-Q741 PolarHBondContact O-N 2.77Å | ||
| 740 | L | 59.2 | Low | 57.2 | Low | 152 Ų | 152 | 157.3 Ų | 157.3 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | trans | -47.9 | 107.4 | 172.5 | -85.1 | 165.2 | 0 | 0 | 0 | 106.5 | E738 Y742 | E738-L740 PolarHBondContact O-N 3.11Å; L740-Y742 PolarHBondContact O-N 2.78Å | ||
| 741 | Q | 65.1 | Low | 58.2 | Low | 180 Ų | 180 | 162 Ų | 162 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -63.3 | 110.9 | 171.1 | -70.1 | -170.7 | -4 | 0 | 0 | 104.4 | K739 K743 | K739-Q741 PolarHBondContact O-N 2.77Å; Q741-K743 PolarHBondContact O-N 2.97Å | ||
| 742 | Y | 60.9 | Low | 59 | Low | 207 Ų | 207 | 161.8 Ų | 161.8 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -53.4 | 111.4 | 168.3 | -73.6 | -94 | 0 | 0 | 0 | 105.2 | L740 D744 | L740-Y742 PolarHBondContact O-N 2.78Å; Y742-D744 PolarHBondContact O-N 3.42Å; Y742-D744 VanDerWaalsContact O-N 3.1Å | ||
| 743 | K | 68.1 | Low | 59.7 | Low | 189 Ų | 189 | 163.2 Ų | 163.2 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -59.3 | 119 | 161.6 | -72.7 | -170.4 | 174.6 | -171.9 | 0 | 104.4 | Q741 I745 | Q741-K743 PolarHBondContact O-N 2.97Å; K743-I745 PolarHBondContact O-N 2.91Å | ||
| 744 | D | 63.5 | Low | 59.8 | Low | 150 Ų | 150 | 162.8 Ų | 162.8 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -59.8 | 96 | 167.4 | -83.4 | -30.7 | 0 | 0 | 0 | 107 | Y742 L746 | Y742-D744 PolarHBondContact O-N 3.42Å; Y742-D744 VanDerWaalsContact O-N 3.1Å; D744-L746 VanDerWaalsContact C-N 3.31Å; D744-L746 PolarHBondContact O-N 3.32Å | ||
| 745 | I | 64.1 | Low | 60.3 | Low | 145 Ų | 145 | 162.5 Ų | 162.5 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -64.8 | 104.6 | 164.8 | -58.1 | 176.7 | 0 | 0 | 0 | 103 | K743 T747 | K743-I745 PolarHBondContact O-N 2.91Å; I745-T747 PolarHBondContact O-N 2.93Å; I745-T747 PolarHBondContact O-OG1 3.48Å | ||
| 746 | L | 66.4 | Low | 60.5 | Low | 161 Ų | 161 | 166 Ų | 166 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -59.4 | 91.5 | 174.8 | -77.2 | 171.3 | 0 | 0 | 0 | 108.1 | D744 P748 | D744-L746 VanDerWaalsContact C-N 3.31Å; D744-L746 PolarHBondContact O-N 3.32Å; L746-P748 WeakPolarHBondContact O-CD 3.47Å | ||
| 747 | T | 56.5 | Low | 60.5 | Low | 114 Ų | 114 | 160.1 Ų | 160.1 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -54.5 | 115.3 | 178.2 | -56.5 | 0 | 0 | 0 | 0 | 106.9 | I745 R749 | I745-T747 PolarHBondContact O-N 2.93Å; I745-T747 PolarHBondContact O-OG1 3.48Å; T747-R749 PolarHBondContact O-N 2.94Å | ||
| 748 | P | 59.8 | Low | 59.8 | Low | 107 Ų | 107 | 160.8 Ų | 160.8 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | trans | -62.6 | 111 | -173.4 | 23.7 | -32.8 | 0 | 0 | 0 | 108.2 | L746 W750 | L746-P748 WeakPolarHBondContact O-CD 3.47Å; P748-W750 PolarHBondContact O-N 3.41Å; P748-W750 VanDerWaalsContact O-N 3.1Å | ||
| 749 | R | 58.3 | Low | 58.6 | Low | 235 Ų | 235 | 158.7 Ų | 158.7 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -59.4 | 120 | 177.9 | -68.4 | -177.5 | 73.5 | 167.8 | 2.8 | 107.5 | T747 R751 | T747-R749 PolarHBondContact O-N 2.94Å; R749-R751 PolarHBondContact O-N 3.22Å | ||
| 750 | W | 63.5 | Low | 57.6 | Low | 248 Ų | 248 | 156.5 Ų | 156.5 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | -52.4 | 114.4 | 176.6 | -62.5 | 96.6 | 0 | 0 | 0 | 109.1 | P748 V752 | P748-W750 PolarHBondContact O-N 3.41Å; P748-W750 VanDerWaalsContact O-N 3.1Å; W750-V752 PolarHBondContact O-N 3.23Å | ||
| 751 | R | 67 | Low | 56.6 | Low | 226 Ų | 226 | 158.5 Ų | 158.5 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -75.7 | 119.6 | 169.2 | -69.5 | -170.7 | -70.6 | -165.9 | -1.8 | 106.9 | R749 V753 | R749-R751 PolarHBondContact O-N 3.22Å; R751-V753 PolarHBondContact O-N 3.08Å; R751-V753 VanDerWaalsContact O-N 3.16Å | ||
| 752 | V | 67.9 | Low | 55.5 | Low | 136 Ų | 136 | 159.5 Ų | 159.5 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -62.7 | 116.4 | 165.9 | -179.4 | 0 | 0 | 0 | 0 | 106.5 | W750 | W750-V752 PolarHBondContact O-N 3.23Š| ||
| 753 | V | 59.9 | Low | 54.4 | Low | 112 Ų | 112 | 152.8 Ų | 152.8 | 68% | 0.679 | 79% | 0.794 | S | S | * | * | trans | -100.1 | 113.2 | 172.9 | 177.2 | 0 | 0 | 0 | 0 | 106.2 | R751 I755 | R751-V753 PolarHBondContact O-N 3.08Å; R751-V753 VanDerWaalsContact O-N 3.16Å; V753-I755 PolarHBondContact O-N 3.41Å | ||
| 754 | D | 52.8 | Low | 53.5 | Low | 124 Ų | 124 | 153.2 Ų | 153.2 | 66% | 0.663 | 80% | 0.799 | S | S | * | * | trans | -63.3 | 107.8 | 172.1 | -92.5 | -55.4 | 0 | 0 | 0 | 109.7 | Q756 | D754-Q756 HydrophobicContact CB-CG 4.47Å; D754-Q756 PolarHBondContact O-N 2.91Å | ||
| 755 | I | 58 | Low | 52.6 | Low | 154 Ų | 154 | 154.5 Ų | 154.5 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -82.2 | 57.1 | 173.2 | -46.1 | -176.6 | 0 | 0 | 0 | 109.2 | V753 | V753-I755 PolarHBondContact O-N 3.41Š| ||
| 756 | Q | 47.7 | Very low | 51.9 | Low | 165 Ų | 165 | 155.1 Ų | 155.1 | 77% | 0.771 | 81% | 0.805 | S | S | * | * | trans | -97.4 | 105.5 | 167.9 | -63.4 | -171.2 | 37.7 | 0 | 0 | 108.3 | D754 | D754-Q756 HydrophobicContact CB-CG 4.47Å; D754-Q756 PolarHBondContact O-N 2.91Å | ||
| 757 | G | 52.3 | Low | 50.9 | Low | 71 Ų | 71 | 155.8 Ų | 155.8 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 164.7 | -14 | 177.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 758 | L | 39.4 | Very low | 50.8 | Low | 161 Ų | 161 | 159.5 Ų | 159.5 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -116.3 | 78.6 | 178.4 | -71.4 | 175.9 | 0 | 0 | 0 | 111.8 | P760 | L758-P760 WeakPolarHBondContact O-CD 3.39Š| ||
| 759 | T | 38 | Very low | 50.9 | Low | 123 Ų | 123 | 161.5 Ų | 161.5 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -63.6 | 123.1 | 157.3 | 48.9 | 0 | 0 | 0 | 0 | 108.7 | K761 | T759-K761 PolarHBondContact O-N 2.97Š| ||
| 760 | P | 41 | Very low | 51.2 | Low | 127 Ų | 127 | 155.7 Ų | 155.7 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | trans | -66.3 | 109.9 | 172.2 | 27.2 | -32.3 | 0 | 0 | 0 | 108.6 | L758 | L758-P760 WeakPolarHBondContact O-CD 3.39Š| ||
| 761 | K | 38.9 | Very low | 51.4 | Low | 194 Ų | 194 | 149.1 Ų | 149.1 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -61.3 | 138.8 | 166.8 | -74.1 | -176.2 | 176.1 | 179.8 | 0 | 108.3 | T759 G763 | T759-K761 PolarHBondContact O-N 2.97Å; K761-G763 PolarHBondContact O-N 2.78Å; K761-G763 VanDerWaalsContact O-N 3.17Å | ||
| 762 | M | 41.8 | Very low | 51.8 | Low | 201 Ų | 201 | 145.5 Ų | 145.5 | 99% | 0.99 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -52.2 | 121.4 | 167.5 | -79.5 | -71.9 | -173 | 0 | 0 | 109.7 | ||
| 763 | G | 37.5 | Very low | 52.2 | Low | 65 Ų | 65 | 143 Ų | 143 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | -173 | 119.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | K761 E765 | K761-G763 PolarHBondContact O-N 2.78Å; K761-G763 VanDerWaalsContact O-N 3.17Å; G763-E765 PolarHBondContact O-N 2.99Å | ||
| 764 | E | 49.5 | Very low | 53 | Low | 199 Ų | 199 | 143.7 Ų | 143.7 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | trans | -81.4 | 80.3 | -172.8 | -62.7 | 179.2 | 122.5 | 0 | 0 | 112.2 | ||||
| 765 | E | 44.4 | Very low | 54.3 | Low | 177 Ų | 177 | 143.8 Ų | 143.8 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | -117.6 | 121 | 162.8 | -71.4 | -162.3 | -180 | 0 | 0 | 111.5 | G763 Q767 | G763-E765 PolarHBondContact O-N 2.99Å; E765-Q767 VanDerWaalsContact C-N 3.27Å; E765-Q767 PolarHBondContact O-N 3.3Å | ||
| 766 | N | 49 | Very low | 55.4 | Low | 158 Ų | 158 | 138.2 Ų | 138.2 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | trans | -72.6 | 78.3 | -178 | -74.7 | -87.7 | 0 | 0 | 0 | 110.7 | K768 | N766-K768 PolarHBondContact O-N 3.31Š| ||
| 767 | Q | 44.8 | Very low | 57 | Low | 174 Ų | 174 | 136 Ų | 136 | 81% | 0.813 | 72% | 0.721 | S | S | * | * | trans | -61.3 | 102.9 | 164.3 | -70.1 | -167.8 | 4.8 | 0 | 0 | 108.6 | E765 I769 | E765-Q767 VanDerWaalsContact C-N 3.27Å; E765-Q767 PolarHBondContact O-N 3.3Å; Q767-I769 PolarHBondContact O-N 2.86Å | ||
| 768 | K | 55.4 | Low | 58.5 | Low | 192 Ų | 192 | 135.4 Ų | 135.4 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | trans | -67.1 | 87.7 | 169.3 | -70.9 | 178.6 | -179.8 | 173.3 | 0 | 108.4 | N766 E770 | N766-K768 PolarHBondContact O-N 3.31Å; K768-E770 PolarHBondContact O-N 3.42Å | ||
| 769 | I | 61.3 | Low | 60.7 | Low | 149 Ų | 149 | 135.8 Ų | 135.8 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | trans | -55.4 | 107.7 | 154.5 | -58.5 | 174 | 0 | 0 | 0 | 104.8 | Q767 D771 | Q767-I769 PolarHBondContact O-N 2.86Å; I769-D771 PolarHBondContact O-N 3.17Å | ||
| 770 | E | 64.3 | Low | 62.9 | Low | 114 Ų | 114 | 136.3 Ų | 136.3 | 53% | 0.533 | 69% | 0.688 | S | S | . | * | trans | -67 | 123.1 | 173.3 | -74.6 | -162.1 | -159.9 | 0 | 0 | 107.9 | K768 L772 R780 | K768-E770 PolarHBondContact O-N 3.42Å; E770-L772 WeakPolarHBondContact O-CG 3.46Å; E770-L772 PolarHBondContact O-N 3.45Å; E770-R780 IonicContact OE2-CZ 2.69Å; E770-R780 IonicContact OE2-NH1 3.28Å; E770-R780 PolarHBondContact OE2-NH1 2.91Å; E770-R780 IonicContact OE2-NH2 3.19Å; E770-R780 PolarHBondContact OE2-NH2 3.38Å | ||
| 771 | D | 69.4 | Low | 65.1 | Low | 109 Ų | 109 | 134 Ų | 134 | 58% | 0.583 | 67% | 0.666 | S | S | * | * | trans | -54.8 | 108.3 | 174.9 | -72.7 | -50.4 | 0 | 0 | 0 | 110.1 | I769 C773 V776 | I769-D771 PolarHBondContact O-N 3.17Å; D771-C773 VanDerWaalsContact C-N 3.3Å; D771-V776 HydrophobicContact CB-CB 4.32Å; D771-V776 HydrophobicContact CB-CG1 4.44Å; D771-V776 HydrophobicContact CB-CG2 3.79Å; D771-V776 WeakPolarHBondContact O-CB 3.43Å; D771-V776 WeakPolarHBondContact O-CG1 3.33Å | ||
| 772 | L | 73.8 | Confident | 67.6 | Low | 151 Ų | 151 | 130.8 Ų | 130.8 | 79% | 0.791 | 65% | 0.654 | S | S | * | * | trans | -85.2 | -4.3 | 177.7 | -62.1 | -175.1 | 0 | 0 | 0 | 112.7 | E770 | E770-L772 WeakPolarHBondContact O-CG 3.46Å; E770-L772 PolarHBondContact O-N 3.45Å | ||
| 773 | C | 77.8 | Confident | 69.8 | Low | 83 Ų | 83 | 123.9 Ų | 123.9 | 56% | 0.561 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -53.5 | 141.7 | 178.9 | -61.9 | 0 | 0 | 0 | 0 | 112 | D771 E775 V776 F777 | D771-C773 VanDerWaalsContact C-N 3.3Å; C773-E775 PolarHBondContact O-N 3.02Å; C773-V776 PolarHBondContact O-N 3.27Å; C773-F777 PolarHBondContact O-N 2.88Å |
| 774 | D | 76.3 | Confident | 72.1 | Confident | 127 Ų | 127 | 125.7 Ų | 125.7 | 68% | 0.679 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57.7 | -29.1 | -173.6 | -69.1 | -51.2 | 0 | 0 | 0 | 113.7 | V776 F777 A778 | D774-V776 VanDerWaalsContact C-N 3.32Å; D774-V776 PolarHBondContact O-N 3.2Å; D774-F777 PolarHBondContact O-N 2.9Å; D774-A778 WeakPolarHBondContact O-CB 3.35Å; D774-A778 PolarHBondContact O-N 3.27Å |
| 775 | E | 79.8 | Confident | 73.9 | Confident | 126 Ų | 126 | 120.1 Ų | 120.1 | 59% | 0.589 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -55.5 | -44.8 | 170.1 | -82.8 | -148.9 | -132.9 | 0 | 0 | 113 | C773 R779 | C773-E775 PolarHBondContact O-N 3.02Å; E775-R779 WeakPolarHBondContact O-CB 3.35Å; E775-R779 WeakPolarHBondContact O-CD 3.33Å; E775-R779 WeakPolarHBondContact O-CG 3.23Å; E775-R779 PolarHBondContact O-N 3.43Å; E775-R779 IonicContact OE2-CZ 3.1Å; E775-R779 IonicContact OE2-NE 3.22Å; E775-R779 IonicContact OE2-NH2 2.64Å; E775-R779 PolarHBondContact OE2-NH2 3.46Å |
| 776 | V | 81.8 | Confident | 76 | Confident | 37 Ų | 37 | 115.5 Ų | 115.5 | 22% | 0.224 | 58% | 0.575 | C | S | . | * | H | α-helix | trans | -74.2 | -38.9 | -179.1 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | D771 C773 D774 R779 R780 | D771-V776 HydrophobicContact CB-CB 4.32Å; D771-V776 HydrophobicContact CB-CG1 4.44Å; D771-V776 HydrophobicContact CB-CG2 3.79Å; D771-V776 WeakPolarHBondContact O-CB 3.43Å; D771-V776 WeakPolarHBondContact O-CG1 3.33Å; C773-V776 PolarHBondContact O-N 3.27Å; D774-V776 VanDerWaalsContact C-N 3.32Å; D774-V776 PolarHBondContact O-N 3.2Å; V776-R779 PolarHBondContact O-N 3.48Å; V776-R780 VanDerWaalsContact O-CG 3.31Å; V776-R780 WeakPolarHBondContact O-CG 3.45Å; V776-R780 PolarHBondContact O-N 2.97Å |
| 777 | F | 80.4 | Confident | 77.7 | Confident | 118 Ų | 118 | 114.2 Ų | 114.2 | 52% | 0.518 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62 | -44.9 | 173.1 | -165.1 | -94.7 | 0 | 0 | 0 | 111.9 | C773 D774 R780 H781 | C773-F777 PolarHBondContact O-N 2.88Å; D774-F777 PolarHBondContact O-N 2.9Å; F777-R780 PolarHBondContact O-N 2.79Å; F777-H781 AromaticContact CD1-CE1 3.85Å; F777-H781 AromaticContact CD1-ND1 3.48Å; F777-H781 WeakPolarHBondContact CD1-ND1 3.4Å; F777-H781 AromaticContact CD2-CE1 3.97Å; F777-H781 AromaticContact CE1-CE1 3.36Å; F777-H781 WeakPolarHBondContact CE1-CE1 3.16Å; F777-H781 AromaticContact CE1-ND1 3.39Å; F777-H781 WeakPolarHBondContact CE1-ND1 3.46Å; F777-H781 AromaticContact CE2-CE1 3.5Å; F777-H781 AromaticContact CG-ND1 3.87Å; F777-H781 AromaticContact CZ-CE1 3.17Å; F777-H781 WeakPolarHBondContact CZ-CE1 3.26Å; F777-H781 AromaticContact CZ-ND1 3.7Å; F777-H781 AromaticContact CZ-NE2 3.89Å; F777-H781 WeakPolarHBondContact O-CB 3.35Å; F777-H781 PolarHBondContact O-N 3.03Å; F777-H781 PolarHBondContact O-ND1 2.92Å |
| 778 | A | 84.3 | Confident | 79.3 | Confident | 59 Ų | 59 | 111 Ų | 111 | 49% | 0.488 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D774 R780 H781 Q782 | D774-A778 WeakPolarHBondContact O-CB 3.35Å; D774-A778 PolarHBondContact O-N 3.27Å; A778-R780 PolarHBondContact O-N 2.92Å; A778-H781 PolarHBondContact O-N 2.98Å; A778-H781 VanDerWaalsContact O-N 3.17Å; A778-Q782 WeakPolarHBondContact O-CB 3.34Å; A778-Q782 PolarHBondContact O-N 3.43Å |
| 779 | R | 85.3 | Confident | 80.8 | Confident | 169 Ų | 169 | 106.7 Ų | 106.7 | 64% | 0.638 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.7 | -41.7 | 173.7 | -72.2 | 165.1 | -166.6 | -153.8 | 8.1 | 111.8 | E775 V776 | E775-R779 WeakPolarHBondContact O-CB 3.35Å; E775-R779 WeakPolarHBondContact O-CD 3.33Å; E775-R779 WeakPolarHBondContact O-CG 3.23Å; E775-R779 PolarHBondContact O-N 3.43Å; E775-R779 IonicContact OE2-CZ 3.1Å; E775-R779 IonicContact OE2-NE 3.22Å; E775-R779 IonicContact OE2-NH2 2.64Å; E775-R779 PolarHBondContact OE2-NH2 3.46Å; V776-R779 PolarHBondContact O-N 3.48Å |
| 780 | R | 84.4 | Confident | 81.7 | Confident | 133 Ų | 133 | 108.1 Ų | 108.1 | 50% | 0.502 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 172.7 | -69 | 177.2 | -158.9 | -147 | 9.9 | 111.6 | E770 V776 F777 A778 | E770-R780 IonicContact OE2-CZ 2.69Å; E770-R780 IonicContact OE2-NH1 3.28Å; E770-R780 PolarHBondContact OE2-NH1 2.91Å; E770-R780 IonicContact OE2-NH2 3.19Å; E770-R780 PolarHBondContact OE2-NH2 3.38Å; V776-R780 VanDerWaalsContact O-CG 3.31Å; V776-R780 WeakPolarHBondContact O-CG 3.45Å; V776-R780 PolarHBondContact O-N 2.97Å; F777-R780 PolarHBondContact O-N 2.79Å; A778-R780 PolarHBondContact O-N 2.92Å |
| 781 | H | 87.1 | Confident | 82.3 | Confident | 80 Ų | 80 | 111.6 Ų | 111.6 | 37% | 0.37 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -82.9 | -25.1 | -175.8 | -75.7 | 83.8 | 0 | 0 | 0 | 115.3 | F777 A778 A783 L784 E785 | F777-H781 AromaticContact CD1-CE1 3.85Å; F777-H781 AromaticContact CD1-ND1 3.48Å; F777-H781 WeakPolarHBondContact CD1-ND1 3.4Å; F777-H781 AromaticContact CD2-CE1 3.97Å; F777-H781 AromaticContact CE1-CE1 3.36Å; F777-H781 WeakPolarHBondContact CE1-CE1 3.16Å; F777-H781 AromaticContact CE1-ND1 3.39Å; F777-H781 WeakPolarHBondContact CE1-ND1 3.46Å; F777-H781 AromaticContact CE2-CE1 3.5Å; F777-H781 AromaticContact CG-ND1 3.87Å; F777-H781 AromaticContact CZ-CE1 3.17Å; F777-H781 WeakPolarHBondContact CZ-CE1 3.26Å; F777-H781 AromaticContact CZ-ND1 3.7Å; F777-H781 AromaticContact CZ-NE2 3.89Å; F777-H781 WeakPolarHBondContact O-CB 3.35Å; F777-H781 PolarHBondContact O-N 3.03Å; F777-H781 PolarHBondContact O-ND1 2.92Å; A778-H781 PolarHBondContact O-N 2.98Å; A778-H781 VanDerWaalsContact O-N 3.17Å; H781-A783 PolarHBondContact O-N 3.29Å; H781-A783 VanDerWaalsContact O-N 3.12Å; H781-L784 WeakPolarHBondContact O-CA 3.41Å; H781-L784 WeakPolarHBondContact O-CB 3.47Å; H781-L784 PolarHBondContact O-N 3.36Å; H781-E785 PolarHBondContact O-N 2.98Å |
| 782 | Q | 91.5 | Very high | 82.2 | Confident | 126 Ų | 126 | 114.1 Ų | 114.1 | 59% | 0.589 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -52.9 | -39.1 | -177.6 | -169.9 | -172.4 | 62 | 0 | 0 | 112.3 | A778 L784 E785 Q786 | A778-Q782 WeakPolarHBondContact O-CB 3.34Å; A778-Q782 PolarHBondContact O-N 3.43Å; Q782-L784 VanDerWaalsContact C-N 3.29Å; Q782-L784 PolarHBondContact O-N 2.89Å; Q782-E785 PolarHBondContact O-N 2.77Å; Q782-Q786 HydrophobicContact CG-CG 4.33Å; Q782-Q786 VanDerWaalsContact O-CB 3.31Å; Q782-Q786 WeakPolarHBondContact O-CB 3.46Å; Q782-Q786 WeakPolarHBondContact O-CG 3.42Å; Q782-Q786 PolarHBondContact O-N 3.04Å |
| 783 | A | 87.8 | Confident | 82 | Confident | 56 Ų | 56 | 110 Ų | 110 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -23.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | H781 K787 | H781-A783 PolarHBondContact O-N 3.29Å; H781-A783 VanDerWaalsContact O-N 3.12Å; A783-K787 WeakPolarHBondContact O-CD 3.4Å; A783-K787 VanDerWaalsContact O-CE 3.23Å; A783-K787 WeakPolarHBondContact O-CE 3.5Å; A783-K787 WeakPolarHBondContact O-CG 3.22Å |
| 784 | L | 85.6 | Confident | 81.2 | Confident | 102 Ų | 102 | 108.1 Ų | 108.1 | 53% | 0.534 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -85.9 | -45.7 | 172.5 | -65.3 | 174.9 | 0 | 0 | 0 | 110.5 | H781 Q782 Q786 K787 E788 | H781-L784 WeakPolarHBondContact O-CA 3.41Å; H781-L784 WeakPolarHBondContact O-CB 3.47Å; H781-L784 PolarHBondContact O-N 3.36Å; Q782-L784 VanDerWaalsContact C-N 3.29Å; Q782-L784 PolarHBondContact O-N 2.89Å; L784-Q786 VanDerWaalsContact C-N 3.29Å; L784-Q786 PolarHBondContact O-N 3.13Å; L784-K787 HydrophobicContact CD2-CD 4.47Å; L784-K787 CarbonylContact O-C 3.57Å; L784-K787 WeakPolarHBondContact O-CA 3.36Å; L784-K787 WeakPolarHBondContact O-CB 3.46Å; L784-K787 PolarHBondContact O-N 2.91Å; L784-E788 PolarHBondContact O-N 2.96Å |
| 785 | E | 88.3 | Confident | 80.5 | Confident | 82 Ų | 82 | 107.8 Ų | 107.8 | 38% | 0.383 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57 | -41.1 | 177.1 | -164.6 | -131.4 | -149 | 0 | 0 | 111.8 | H781 Q782 E788 K789 | H781-E785 PolarHBondContact O-N 2.98Å; Q782-E785 PolarHBondContact O-N 2.77Å; E785-E788 CarbonylContact O-C 3.56Å; E785-E788 PolarHBondContact O-N 2.66Å; E785-K789 HydrophobicContact CG-CD 4.48Å; E785-K789 WeakPolarHBondContact O-CG 3.44Å; E785-K789 PolarHBondContact O-N 3.41Å; E785-K789 WeakPolarHBondContact OE1-CE 3.33Å; E785-K789 IonicContact OE1-NZ 2.91Å; E785-K789 PolarHBondContact OE1-NZ 3.02Å; E785-K789 VanDerWaalsContact OE2-CE 3.29Å; E785-K789 WeakPolarHBondContact OE2-CE 3.44Å; E785-K789 IonicContact OE2-NZ 3.97Å; E785-K789 PolarHBondContact OE2-NZ 3.39Å |
| 786 | Q | 87.7 | Confident | 79.4 | Confident | 80 Ų | 80 | 107.6 Ų | 107.6 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.3 | -31.6 | 174.8 | -70.5 | -67.1 | -31.3 | 0 | 0 | 113.4 | Q782 L784 E788 R790 | Q782-Q786 HydrophobicContact CG-CG 4.33Å; Q782-Q786 VanDerWaalsContact O-CB 3.31Å; Q782-Q786 WeakPolarHBondContact O-CB 3.46Å; Q782-Q786 WeakPolarHBondContact O-CG 3.42Å; Q782-Q786 PolarHBondContact O-N 3.04Å; L784-Q786 VanDerWaalsContact C-N 3.29Å; L784-Q786 PolarHBondContact O-N 3.13Å; Q786-E788 VanDerWaalsContact C-N 3.3Å; Q786-R790 WeakPolarHBondContact O-CB 3.28Å; Q786-R790 VanDerWaalsContact O-CD 3.32Å; Q786-R790 WeakPolarHBondContact O-CD 3.14Å; Q786-R790 WeakPolarHBondContact O-CG 3.45Å; Q786-R790 PolarHBondContact O-N 2.91Å |
| 787 | K | 84.6 | Confident | 78.2 | Confident | 132 Ų | 132 | 111.9 Ų | 111.9 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.2 | -35 | 169.8 | -70.8 | 164.1 | -167.7 | 163.9 | 0 | 110.4 | A783 L784 R791 | A783-K787 WeakPolarHBondContact O-CD 3.4Å; A783-K787 VanDerWaalsContact O-CE 3.23Å; A783-K787 WeakPolarHBondContact O-CE 3.5Å; A783-K787 WeakPolarHBondContact O-CG 3.22Å; L784-K787 HydrophobicContact CD2-CD 4.47Å; L784-K787 CarbonylContact O-C 3.57Å; L784-K787 WeakPolarHBondContact O-CA 3.36Å; L784-K787 WeakPolarHBondContact O-CB 3.46Å; L784-K787 PolarHBondContact O-N 2.91Å; K787-R791 PolarHBondContact O-N 3.3Å |
| 788 | E | 79.5 | Confident | 77 | Confident | 105 Ų | 105 | 112.2 Ų | 112.2 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.5 | -50.7 | 176.8 | -175 | 148.3 | -154.1 | 0 | 0 | 112.2 | L784 E785 Q786 R790 R791 W792 | L784-E788 PolarHBondContact O-N 2.96Å; E785-E788 CarbonylContact O-C 3.56Å; E785-E788 PolarHBondContact O-N 2.66Å; Q786-E788 VanDerWaalsContact C-N 3.3Å; E788-R790 PolarHBondContact O-N 3.12Å; E788-R790 VanDerWaalsContact O-N 3.11Å; E788-R791 CarbonylContact O-C 3.56Å; E788-R791 VanDerWaalsContact O-CA 3.3Å; E788-R791 WeakPolarHBondContact O-CA 3.3Å; E788-R791 VanDerWaalsContact O-CB 3.32Å; E788-R791 WeakPolarHBondContact O-CB 3.46Å; E788-R791 PolarHBondContact O-N 3.48Å; E788-W792 PolarHBondContact O-N 3.01Å; E788-W792 PolarHBondContact OE1-NE1 3.41Å |
| 789 | K | 85.5 | Confident | 75.6 | Confident | 102 Ų | 102 | 115.6 Ų | 115.6 | 44% | 0.443 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -52.8 | -35.5 | 172.9 | -73.1 | 172.6 | 176.3 | 169.4 | 0 | 112 | E785 T793 | E785-K789 HydrophobicContact CG-CD 4.48Å; E785-K789 WeakPolarHBondContact O-CG 3.44Å; E785-K789 PolarHBondContact O-N 3.41Å; E785-K789 WeakPolarHBondContact OE1-CE 3.33Å; E785-K789 IonicContact OE1-NZ 2.91Å; E785-K789 PolarHBondContact OE1-NZ 3.02Å; E785-K789 VanDerWaalsContact OE2-CE 3.29Å; E785-K789 WeakPolarHBondContact OE2-CE 3.44Å; E785-K789 IonicContact OE2-NZ 3.97Å; E785-K789 PolarHBondContact OE2-NZ 3.39Å; K789-T793 WeakPolarHBondContact O-CB 3.5Å; K789-T793 WeakPolarHBondContact O-CG2 3.47Å; K789-T793 PolarHBondContact O-N 3.31Å; K789-T793 PolarHBondContact O-OG1 3.35Å |
| 790 | R | 80.3 | Confident | 73.9 | Confident | 179 Ų | 179 | 111.7 Ų | 111.7 | 68% | 0.675 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -70.2 | -36.7 | 170.8 | -70 | 168.7 | -169.3 | -115.8 | 0.4 | 113.5 | Q786 E788 T793 S794 | Q786-R790 WeakPolarHBondContact O-CB 3.28Å; Q786-R790 VanDerWaalsContact O-CD 3.32Å; Q786-R790 WeakPolarHBondContact O-CD 3.14Å; Q786-R790 WeakPolarHBondContact O-CG 3.45Å; Q786-R790 PolarHBondContact O-N 2.91Å; E788-R790 PolarHBondContact O-N 3.12Å; E788-R790 VanDerWaalsContact O-N 3.11Å; R790-T793 PolarHBondContact O-OG1 3.49Å; R790-S794 WeakPolarHBondContact O-CB 3.23Å; R790-S794 PolarHBondContact O-N 2.88Å |
| 791 | R | 77.5 | Confident | 71.9 | Confident | 188 Ų | 188 | 115.5 Ų | 115.5 | 71% | 0.709 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -47.4 | 169.8 | -80 | -175.9 | 168.4 | -156.4 | 0.4 | 111.9 | K787 E788 S794 W795 | K787-R791 PolarHBondContact O-N 3.3Å; E788-R791 CarbonylContact O-C 3.56Å; E788-R791 VanDerWaalsContact O-CA 3.3Å; E788-R791 WeakPolarHBondContact O-CA 3.3Å; E788-R791 VanDerWaalsContact O-CB 3.32Å; E788-R791 WeakPolarHBondContact O-CB 3.46Å; E788-R791 PolarHBondContact O-N 3.48Å; R791-S794 CarbonylContact O-C 3.56Å; R791-S794 WeakPolarHBondContact O-CB 3.23Å; R791-S794 PolarHBondContact O-N 3.43Å; R791-S794 PolarHBondContact O-OG 3.33Å; R791-W795 PolarHBondContact O-N 3.3Å |
| 792 | W | 66.4 | Low | 69.8 | Low | 162 Ų | 162 | 121.4 Ų | 121.4 | 61% | 0.614 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.6 | -46.7 | -177.5 | -79.4 | 74.2 | 0 | 0 | 0 | 112.5 | E788 S794 W795 E796 | E788-W792 PolarHBondContact O-N 3.01Å; E788-W792 PolarHBondContact OE1-NE1 3.41Å; W792-S794 PolarHBondContact O-N 3.46Å; W792-W795 WeakPolarHBondContact O-CA 3.27Å; W792-W795 WeakPolarHBondContact O-CB 3.35Å; W792-W795 PolarHBondContact O-N 3.42Å; W792-E796 PolarHBondContact O-N 2.64Å |
| 793 | T | 69.7 | Low | 67.5 | Low | 63 Ų | 63 | 126.4 Ų | 126.4 | 39% | 0.387 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.1 | -29.1 | 173 | 52.2 | 0 | 0 | 0 | 0 | 112.6 | K789 R790 K797 | K789-T793 WeakPolarHBondContact O-CB 3.5Å; K789-T793 WeakPolarHBondContact O-CG2 3.47Å; K789-T793 PolarHBondContact O-N 3.31Å; K789-T793 PolarHBondContact O-OG1 3.35Å; R790-T793 PolarHBondContact O-OG1 3.49Å; T793-K797 WeakPolarHBondContact O-CB 3.39Å; T793-K797 VanDerWaalsContact O-CD 3.27Å; T793-K797 WeakPolarHBondContact O-CD 3.44Å; T793-K797 WeakPolarHBondContact O-CG 3.49Å; T793-K797 PolarHBondContact O-N 2.84Å |
| 794 | S | 61.2 | Low | 65.5 | Low | 45 Ų | 45 | 128.4 Ų | 128.4 | 32% | 0.315 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -74.3 | -26.7 | 170.3 | 86.5 | 0 | 0 | 0 | 0 | 113.8 | R790 R791 W792 R798 | R790-S794 WeakPolarHBondContact O-CB 3.23Å; R790-S794 PolarHBondContact O-N 2.88Å; R791-S794 CarbonylContact O-C 3.56Å; R791-S794 WeakPolarHBondContact O-CB 3.23Å; R791-S794 PolarHBondContact O-N 3.43Å; R791-S794 PolarHBondContact O-OG 3.33Å; W792-S794 PolarHBondContact O-N 3.46Å; S794-R798 WeakPolarHBondContact O-CB 3.3Å; S794-R798 VanDerWaalsContact O-CG 3.24Å; S794-R798 WeakPolarHBondContact O-CG 3.3Å; S794-R798 PolarHBondContact O-N 2.9Å; S794-R798 VanDerWaalsContact O-N 3.17Å; S794-R798 PolarHBondContact O-NE 3.49Å; S794-R798 PolarHBondContact OG-NH2 2.9Å |
| 795 | W | 61.8 | Low | 63.2 | Low | 120 Ų | 120 | 130 Ų | 130 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -78.4 | -43.7 | 179.8 | 174.8 | -112.3 | 0 | 0 | 0 | 111.2 | R791 W792 R798 K799 | R791-W795 PolarHBondContact O-N 3.3Å; W792-W795 WeakPolarHBondContact O-CA 3.27Å; W792-W795 WeakPolarHBondContact O-CB 3.35Å; W792-W795 PolarHBondContact O-N 3.42Å; W795-R798 CarbonylContact O-C 3.55Å; W795-R798 WeakPolarHBondContact O-CA 3.34Å; W795-R798 WeakPolarHBondContact O-CB 3.47Å; W795-R798 PolarHBondContact O-N 3.08Å; W795-R798 VanDerWaalsContact O-N 3.14Å; W795-K799 PolarHBondContact O-N 3.15Å |
| 796 | E | 56.5 | Low | 60.7 | Low | 122 Ų | 122 | 137.8 Ų | 137.8 | 57% | 0.57 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.3 | -49.9 | 172.6 | -178.5 | 170.5 | -115.8 | 0 | 0 | 111.8 | W792 R798 K799 C800 | W792-E796 PolarHBondContact O-N 2.64Å; E796-R798 PolarHBondContact O-N 3.42Å; E796-K799 WeakPolarHBondContact O-CA 3.43Å; E796-K799 WeakPolarHBondContact O-CB 3.48Å; E796-K799 PolarHBondContact O-N 3.37Å; E796-C800 PolarHBondContact O-N 2.93Å; E796-C800 VanDerWaalsContact O-N 3.13Å |
| 797 | K | 57.3 | Low | 58.1 | Low | 127 Ų | 127 | 140.3 Ų | 140.3 | 55% | 0.552 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -56 | -39.4 | 172.4 | -70.2 | 167.8 | -170.7 | 173.4 | 0 | 111.1 | T793 K799 C800 W801 | T793-K797 WeakPolarHBondContact O-CB 3.39Å; T793-K797 VanDerWaalsContact O-CD 3.27Å; T793-K797 WeakPolarHBondContact O-CD 3.44Å; T793-K797 WeakPolarHBondContact O-CG 3.49Å; T793-K797 PolarHBondContact O-N 2.84Å; K797-K799 VanDerWaalsContact C-N 3.35Å; K797-K799 PolarHBondContact O-N 2.75Å; K797-C800 PolarHBondContact O-N 3.38Å; K797-W801 PolarHBondContact O-N 3.2Å |
| 798 | R | 55.2 | Low | 55.5 | Low | 125 Ų | 125 | 138 Ų | 138 | 47% | 0.472 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66.6 | -25.6 | 173.1 | -81.8 | 177.7 | -74 | 160.6 | -4.4 | 114.3 | S794 W795 E796 R802 | S794-R798 WeakPolarHBondContact O-CB 3.3Å; S794-R798 VanDerWaalsContact O-CG 3.24Å; S794-R798 WeakPolarHBondContact O-CG 3.3Å; S794-R798 PolarHBondContact O-N 2.9Å; S794-R798 VanDerWaalsContact O-N 3.17Å; S794-R798 PolarHBondContact O-NE 3.49Å; S794-R798 PolarHBondContact OG-NH2 2.9Å; W795-R798 CarbonylContact O-C 3.55Å; W795-R798 WeakPolarHBondContact O-CA 3.34Å; W795-R798 WeakPolarHBondContact O-CB 3.47Å; W795-R798 PolarHBondContact O-N 3.08Å; W795-R798 VanDerWaalsContact O-N 3.14Å; E796-R798 PolarHBondContact O-N 3.42Å; R798-R802 WeakPolarHBondContact O-CB 3.45Å; R798-R802 WeakPolarHBondContact O-CG 3.41Å; R798-R802 PolarHBondContact O-N 3.36Å |
| 799 | K | 54.4 | Low | 53 | Low | 130 Ų | 130 | 138.6 Ų | 138.6 | 57% | 0.565 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69 | -44.7 | 169.2 | -71.8 | -178.1 | 177 | 177.7 | 0 | 110.7 | W795 E796 K797 R802 R803 | W795-K799 PolarHBondContact O-N 3.15Å; E796-K799 WeakPolarHBondContact O-CA 3.43Å; E796-K799 WeakPolarHBondContact O-CB 3.48Å; E796-K799 PolarHBondContact O-N 3.37Å; K797-K799 VanDerWaalsContact C-N 3.35Å; K797-K799 PolarHBondContact O-N 2.75Å; K799-R802 PolarHBondContact O-N 2.97Å; K799-R803 PolarHBondContact O-N 3.47Å |
| 800 | C | 49.5 | Very low | 50.5 | Low | 87 Ų | 87 | 144.4 Ų | 144.4 | 59% | 0.588 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -61.9 | -49.8 | 177.7 | -60.3 | 0 | 0 | 0 | 0 | 112 | E796 K797 R802 R803 | E796-C800 PolarHBondContact O-N 2.93Å; E796-C800 VanDerWaalsContact O-N 3.13Å; K797-C800 PolarHBondContact O-N 3.38Å; C800-R802 PolarHBondContact O-N 2.66Å; C800-R803 PolarHBondContact O-N 2.89Å; C800-R803 VanDerWaalsContact O-N 3.1Å |
| 801 | W | 42 | Very low | 48.6 | Very low | 212 Ų | 212 | 143.2 Ų | 143.2 | 80% | 0.803 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -66.5 | -16.9 | 178.9 | -69.9 | 110.3 | 0 | 0 | 0 | 114.4 | K797 | K797-W801 PolarHBondContact O-N 3.2Å |
| 802 | R | 42.9 | Very low | 46.6 | Very low | 204 Ų | 204 | 139.7 Ų | 139.7 | 77% | 0.77 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 5.4 | 173.2 | -72 | -154.4 | -66.5 | -158.1 | 2.1 | 115 | R798 K799 C800 | R798-R802 WeakPolarHBondContact O-CB 3.45Å; R798-R802 WeakPolarHBondContact O-CG 3.41Å; R798-R802 PolarHBondContact O-N 3.36Å; K799-R802 PolarHBondContact O-N 2.97Å; C800-R802 PolarHBondContact O-N 2.66Å |
| 803 | R | 43.7 | Very low | 45.2 | Very low | 231 Ų | 231 | 137.2 Ų | 137.2 | 87% | 0.872 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -106.4 | 12 | 173.3 | -136.2 | -170.8 | -70 | -170.2 | 1.3 | 114.8 | K799 C800 | K799-R803 PolarHBondContact O-N 3.47Å; C800-R803 PolarHBondContact O-N 2.89Å; C800-R803 VanDerWaalsContact O-N 3.1Å |
| 804 | S | 45 | Very low | 43.5 | Very low | 98 Ų | 98 | 140 Ų | 140 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -138.1 | 70.6 | 179.1 | -166.4 | 0 | 0 | 0 | 0 | 113.9 | ||
| 805 | T | 39.2 | Very low | 42 | Very low | 135 Ų | 135 | 141.6 Ų | 141.6 | 83% | 0.828 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -159.5 | 30.3 | 161.4 | -7 | 0 | 0 | 0 | 0 | 116 | ||
| 806 | R | 35.7 | Very low | 40.6 | Very low | 247 Ų | 247 | 139.5 Ų | 139.5 | 93% | 0.932 | 76% | 0.757 | S | S | * | * | trans | -144.6 | 26.2 | 171.2 | -132.9 | 178.8 | -171.9 | -168.9 | 1 | 118.4 | G808 | R806-G808 PolarHBondContact O-N 3.27Š| ||
| 807 | S | 32.7 | Very low | 39.3 | Very low | 133 Ų | 133 | 136.8 Ų | 136.8 | 93% | 0.93 | 76% | 0.762 | S | S | * | * | trans | -88.1 | 97.2 | 159.5 | -65.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 808 | G | 29 | Very low | 38 | Very low | 83 Ų | 83 | 137.7 Ų | 137.7 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | -100.6 | 92.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | R806 | R806-G808 PolarHBondContact O-N 3.27Š| ||
| 809 | S | 28.4 | Very low | 37 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -144.7 | 135.2 | 161.9 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 810 | R | 31.7 | Very low | 36 | Very low | 224 Ų | 224 | 132.2 Ų | 132.2 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | -142.2 | 115.4 | -178.9 | -91.7 | -164.2 | 178.5 | -157 | 2 | 111.6 | ||||
| 811 | L | 41.2 | Very low | 35.2 | Very low | 154 Ų | 154 | 133.6 Ų | 133.6 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | 69.7 | 154.2 | 152.9 | -49.1 | 173.8 | 0 | 0 | 0 | 113.8 | ||||
| 812 | S | 35.4 | Very low | 34.6 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | cis | -150.9 | 167.2 | 28.9 | -106.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 813 | S | 36.5 | Very low | 34.2 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | cis | -165.1 | 171.4 | -3.4 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 814 | S | 33.4 | Very low | 33.7 | Very low | 121 Ų | 121 | 121.7 Ų | 121.7 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | 72.8 | 138.4 | 166.6 | -153 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 815 | G | 30.5 | Very low | 33.1 | Very low | 78 Ų | 78 | 122 Ų | 122 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -104.7 | -132.6 | -6.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 816 | G | 32 | Very low | 32.9 | Very low | 76 Ų | 76 | 120 Ų | 120 | 78% | 0.784 | 76% | 0.76 | S | S | * | * | cis | 171.9 | 161.2 | -4.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 817 | G | 29 | Very low | 32.8 | Very low | 65 Ų | 65 | 114.3 Ų | 114.3 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | trans | 75.9 | 154.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 818 | M | 30.7 | Very low | 32.9 | Very low | 146 Ų | 146 | 115.7 Ų | 115.7 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | cis | 73.9 | 132.6 | 7.1 | -50.9 | 173 | 76.9 | 0 | 0 | 117.1 | Q656 | Q656-M818 VanDerWaalsContact NE2-CA 3.28Å; Q656-M818 VanDerWaalsContact NE2-N 3.14Å | ||
| 819 | C | 33.1 | Very low | 32.9 | Very low | 53 Ų | 53 | 123.6 Ų | 123.6 | 36% | 0.358 | 75% | 0.749 | S | S | . | * | cis | -159.6 | 163.8 | -13.3 | -117.7 | 0 | 0 | 0 | 0 | 116.2 | S655 | S655-C819 CarbonylContact C-O 3.6Å; S655-C819 PolarHBondContact N-O 2.96Å; S655-C819 VanDerWaalsContact N-O 3.12Å; S655-C819 CarbonylContact O-C 3.48Å | ||
| 820 | T | 33.6 | Very low | 32.9 | Very low | 87 Ų | 87 | 121.4 Ų | 121.4 | 53% | 0.534 | 75% | 0.746 | S | S | . | * | trans | 50.5 | 139.4 | 149.9 | 48.8 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 821 | S | 32.9 | Very low | 32.8 | Very low | 117 Ų | 117 | 116.7 Ų | 116.7 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | 38.8 | 144.4 | 148.5 | 54.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 822 | G | 30.2 | Very low | 32.5 | Very low | 60 Ų | 60 | 113.2 Ų | 113.2 | 62% | 0.619 | 74% | 0.739 | S | S | * | * | cis | 171.2 | 159.5 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 823 | D | 34.8 | Very low | 32.4 | Very low | 161 Ų | 161 | 115.5 Ų | 115.5 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | trans | 55 | 155.3 | 158.5 | -52 | -38.4 | 0 | 0 | 0 | 118.6 | ||||
| 824 | E | 31.6 | Very low | 32.3 | Very low | 175 Ų | 175 | 116.6 Ų | 116.6 | 82% | 0.818 | 73% | 0.733 | S | S | * | * | cis | -152.3 | 161.4 | 4.2 | 46.9 | -154.3 | 91.9 | 0 | 0 | 112.9 | ||||
| 825 | S | 33.8 | Very low | 32.3 | Very low | 104 Ų | 104 | 117 Ų | 117 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | trans | 22.9 | 148.2 | 138.1 | -141.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 826 | S | 34.8 | Very low | 32.3 | Very low | 93 Ų | 93 | 117.8 Ų | 117.8 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | cis | -179.6 | 159.9 | -16 | -86.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 827 | V | 33.8 | Very low | 32.3 | Very low | 129 Ų | 129 | 121.3 Ų | 121.3 | 78% | 0.782 | 72% | 0.72 | S | S | * | * | trans | 65.2 | 145.7 | 148.2 | 162.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 828 | E | 33.8 | Very low | 32.4 | Very low | 161 Ų | 161 | 127 Ų | 127 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | cis | -156.8 | 157.1 | -17.9 | -106.6 | -175.6 | 142.5 | 0 | 0 | 112.3 | ||||
| 829 | W | 30.3 | Very low | 32.6 | Very low | 249 Ų | 249 | 128.2 Ų | 128.2 | 94% | 0.943 | 73% | 0.733 | S | S | * | * | trans | -9.7 | 149.3 | 156.1 | -61 | 59.1 | 0 | 0 | 0 | 122.4 | ||||
| 830 | G | 28.5 | Very low | 32.8 | Very low | 73 Ų | 73 | 130.8 Ų | 130.8 | 75% | 0.753 | 75% | 0.749 | S | S | * | * | trans | 166 | 146.3 | 158.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 831 | C | 28.5 | Very low | 32.4 | Very low | 125 Ų | 125 | 138 Ų | 138 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | -132.9 | 153.3 | -171.9 | -62.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 832 | A | 34.2 | Very low | 32.3 | Very low | 80 Ų | 80 | 138.6 Ų | 138.6 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | trans | 67.5 | 162.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 833 | Q | 33.6 | Very low | 32.4 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | cis | -163.1 | 139.5 | 7.7 | -165.5 | 144.6 | -20.7 | 0 | 0 | 112.2 | ||||
| 834 | L | 34.3 | Very low | 32.3 | Very low | 134 Ų | 134 | 145.4 Ų | 145.4 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | 53.9 | 148 | 159.5 | -59.8 | 172.4 | 0 | 0 | 0 | 119.3 | ||||
| 835 | D | 33.5 | Very low | 32.3 | Very low | 130 Ų | 130 | 148 Ų | 148 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | cis | -157.7 | -169.8 | -10.4 | -84.1 | -28.2 | 0 | 0 | 0 | 107.5 | ||||
| 836 | S | 32 | Very low | 32.7 | Very low | 94 Ų | 94 | 150 Ų | 150 | 66% | 0.657 | 78% | 0.78 | S | S | * | * | cis | -156.1 | -177.9 | 14.3 | -37.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 837 | D | 32.3 | Very low | 32.8 | Very low | 151 Ų | 151 | 151.2 Ų | 151.2 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | 33.4 | 127.4 | 148.3 | -45.8 | -23.7 | 0 | 0 | 0 | 120.6 | ||||
| 838 | E | 30.7 | Very low | 33.2 | Very low | 183 Ų | 183 | 151.6 Ų | 151.6 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | cis | -135.8 | 171.2 | 3.3 | -64.7 | -172.6 | 105.8 | 0 | 0 | 112.2 | ||||
| 839 | Q | 34.5 | Very low | 33.6 | Very low | 173 Ų | 173 | 146.5 Ų | 146.5 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | trans | -50 | 169.8 | 177.6 | -94.2 | 88.5 | -21.8 | 0 | 0 | 117.3 | ||||
| 840 | P | 36.3 | Very low | 34.5 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | cis | -143.7 | 170 | 23.8 | 44.6 | -26.7 | 0 | 0 | 0 | 119.5 | ||||
| 841 | R | 25.8 | Very low | 35.7 | Very low | 238 Ų | 238 | 146 Ų | 146 | 90% | 0.898 | 76% | 0.756 | S | S | * | * | trans | 67.1 | 155.9 | 167.2 | -49.8 | -173.6 | 176.7 | -177.9 | -2.7 | 115.8 | ||||
| 842 | V | 30.4 | Very low | 36.8 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | cis | -128.6 | 140 | -0.4 | 177.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 843 | E | 32.4 | Very low | 37.2 | Very low | 182 Ų | 182 | 148.2 Ų | 148.2 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | -121 | 159.1 | 166.6 | -111.3 | 172.7 | 159 | 0 | 0 | 112.9 | ||||
| 844 | E | 34.3 | Very low | 38.5 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 85% | 0.85 | 75% | 0.747 | S | S | * | * | trans | -89.4 | 110.3 | -157.3 | -167.7 | 172.9 | 169 | 0 | 0 | 111.5 | L846 | E844-L846 PolarHBondContact O-N 3.42Š| ||
| 845 | W | 31.6 | Very low | 39.9 | Very low | 229 Ų | 229 | 148 Ų | 148 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | -59.9 | 99.1 | -176.5 | -80.3 | 84.5 | 0 | 0 | 0 | 113 | ||||
| 846 | L | 40.4 | Very low | 40.8 | Very low | 146 Ų | 146 | 149.1 Ų | 149.1 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 141.2 | 156.9 | -67.5 | 173.8 | 0 | 0 | 0 | 108.9 | E844 Q848 | E844-L846 PolarHBondContact O-N 3.42Å; L846-Q848 PolarHBondContact O-N 2.92Å; L846-Q848 VanDerWaalsContact O-N 3.11Å |
| 847 | P | 38.9 | Very low | 42.2 | Very low | 118 Ų | 118 | 150.1 Ų | 150.1 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 116.4 | 178.7 | -24.2 | 34.7 | 0 | 0 | 0 | 112 | ||
| 848 | Q | 41.4 | Very low | 43.8 | Very low | 138 Ų | 138 | 145.1 Ų | 145.1 | 65% | 0.645 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 143.4 | 176 | -159.1 | 169.7 | 5.8 | 0 | 0 | 109.7 | L846 E852 | L846-Q848 PolarHBondContact O-N 2.92Å; L846-Q848 VanDerWaalsContact O-N 3.11Å; Q848-E852 PolarHBondContact NE2-OE1 3.48Å |
| 849 | A | 41.9 | Very low | 45.9 | Very low | 53 Ų | 53 | 140 Ų | 140 | 44% | 0.438 | 70% | 0.702 | S | S | . | * | P | Polyproline II helix | trans | -77.9 | 152 | 176 | 0 | 0 | 0 | 0 | 0 | 110.3 | W851 | A849-W851 PolarHBondContact O-N 3.12Š|
| 850 | P | 50.1 | Low | 47.6 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -66.5 | 11.3 | 175.9 | -20.3 | 33.3 | 0 | 0 | 0 | 115.4 | ||
| 851 | W | 52.7 | Low | 49.2 | Very low | 186 Ų | 186 | 144 Ų | 144 | 71% | 0.705 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -152.2 | 136.2 | 172.6 | 57.8 | 89.3 | 0 | 0 | 0 | 107.7 | A849 | A849-W851 PolarHBondContact O-N 3.12Š|
| 852 | E | 52.8 | Low | 51.4 | Low | 149 Ų | 149 | 137.6 Ų | 137.6 | 70% | 0.696 | 68% | 0.683 | S | S | * | * | trans | -84.3 | 135.9 | 170.2 | -59.3 | -155.9 | 131.9 | 0 | 0 | 109.9 | Q848 R854 | Q848-E852 PolarHBondContact NE2-OE1 3.48Å; E852-R854 PolarHBondContact O-N 3.13Å | ||
| 853 | S | 41 | Very low | 53.3 | Low | 102 Ų | 102 | 136.6 Ų | 136.6 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | trans | -76.4 | 94.3 | 179.2 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | V855 | S853-V855 PolarHBondContact O-N 3.47Š| ||
| 854 | R | 61.7 | Low | 55.1 | Low | 174 Ų | 174 | 130.2 Ų | 130.2 | 66% | 0.657 | 65% | 0.648 | S | S | * | * | trans | -43.8 | 123.7 | 173.4 | -65.4 | -171 | -178.1 | -154.9 | -0.5 | 110.4 | E852 F856 | E852-R854 PolarHBondContact O-N 3.13Å; R854-F856 HydrophobicContact CB-CE2 4.45Å | ||
| 855 | V | 63.7 | Low | 56.7 | Low | 115 Ų | 115 | 125.5 Ų | 125.5 | 70% | 0.697 | 63% | 0.632 | S | S | * | * | trans | -91.7 | 139.2 | 175.6 | -176 | 0 | 0 | 0 | 0 | 107.4 | S853 | S853-V855 PolarHBondContact O-N 3.47Š| ||
| 856 | F | 52.2 | Low | 58.2 | Low | 154 Ų | 154 | 118.9 Ų | 118.9 | 68% | 0.675 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -112.9 | 144.3 | 175.4 | -80.5 | -88.4 | 0 | 0 | 0 | 110.3 | R854 L858 | R854-F856 HydrophobicContact CB-CE2 4.45Å; F856-L858 HydrophobicContact CD1-CG 4.37Å; F856-L858 HydrophobicContact CE1-CD1 4.48Å; F856-L858 HydrophobicContact CE1-CD2 4.49Å; F856-L858 HydrophobicContact CE1-CG 4.15Å |
| 857 | P | 60.9 | Low | 59.1 | Low | 115 Ų | 115 | 117.2 Ų | 117.2 | 75% | 0.747 | 60% | 0.604 | S | S | * | * | S | Bend | cis | -64.2 | 158.6 | -4.9 | -20.2 | 34.1 | 0 | 0 | 0 | 113.5 | ||
| 858 | L | 65.8 | Low | 59.8 | Low | 46 Ų | 46 | 115.5 Ų | 115.5 | 24% | 0.241 | 60% | 0.595 | C | S | . | * | P | Polyproline II helix | trans | -70.3 | 163.4 | 170.1 | -61.3 | 175.1 | 0 | 0 | 0 | 109.9 | F856 E862 L866 | F856-L858 HydrophobicContact CD1-CG 4.37Å; F856-L858 HydrophobicContact CE1-CD1 4.48Å; F856-L858 HydrophobicContact CE1-CD2 4.49Å; F856-L858 HydrophobicContact CE1-CG 4.15Å; L858-E862 HydrophobicContact CB-CB 4.49Å; L858-L866 HydrophobicContact CD1-CD1 4.12Å |
| 859 | D | 76.3 | Confident | 60.4 | Low | 76 Ų | 76 | 115.7 Ų | 115.7 | 41% | 0.406 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -79.9 | 152 | 170.4 | 135.9 | -58.7 | 0 | 0 | 0 | 110.7 | R861 E862 E863 | D859-R861 PolarHBondContact O-N 3.06Å; D859-R861 VanDerWaalsContact OD1-CA 3.26Å; D859-R861 WeakPolarHBondContact OD1-CA 3.18Å; D859-R861 WeakPolarHBondContact OD1-CB 3.36Å; D859-R861 PolarHBondContact OD1-N 3.29Å; D859-E862 PolarHBondContact O-N 2.94Å; D859-E862 PolarHBondContact OD1-N 3.3Å; D859-E863 PolarHBondContact O-N 2.96Å |
| 860 | E | 69.5 | Low | 60.7 | Low | 168 Ų | 168 | 120.7 Ų | 120.7 | 79% | 0.785 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -60.3 | -18.2 | -175.5 | -63.3 | 179.2 | 161.6 | 0 | 0 | 113.5 | A864 | E860-A864 WeakPolarHBondContact O-CB 3.33Å; E860-A864 PolarHBondContact O-N 3.49Å; E860-A864 VanDerWaalsContact O-N 3.08Å |
| 861 | R | 70 | Confident | 60.8 | Low | 194 Ų | 194 | 120.6 Ų | 120.6 | 73% | 0.732 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -91.8 | -38.6 | -179.4 | -53.2 | 155.1 | 177.5 | -99.1 | -8.3 | 110.6 | D859 E863 A864 T865 | D859-R861 PolarHBondContact O-N 3.06Å; D859-R861 VanDerWaalsContact OD1-CA 3.26Å; D859-R861 WeakPolarHBondContact OD1-CA 3.18Å; D859-R861 WeakPolarHBondContact OD1-CB 3.36Å; D859-R861 PolarHBondContact OD1-N 3.29Å; R861-E863 VanDerWaalsContact C-N 3.32Å; R861-A864 PolarHBondContact O-N 3.44Å; R861-T865 WeakPolarHBondContact O-CG2 3.36Å; R861-T865 PolarHBondContact O-N 2.94Å; R861-T865 PolarHBondContact O-OG1 3.2Å; R861-T865 VanDerWaalsContact O-OG1 3.1Å |
| 862 | E | 71.7 | Confident | 60.4 | Low | 104 Ų | 104 | 121 Ų | 121 | 49% | 0.486 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.3 | -40.2 | 167.6 | -66.8 | -174.1 | 166.6 | 0 | 0 | 111.3 | L858 D859 T865 L866 | L858-E862 HydrophobicContact CB-CB 4.49Å; D859-E862 PolarHBondContact O-N 2.94Å; D859-E862 PolarHBondContact OD1-N 3.3Å; E862-T865 PolarHBondContact O-OG1 3.02Å; E862-T865 VanDerWaalsContact O-OG1 3.04Å; E862-L866 WeakPolarHBondContact O-CG 3.31Å; E862-L866 PolarHBondContact O-N 2.87Å |
| 863 | E | 70.6 | Confident | 59.8 | Low | 111 Ų | 111 | 121.3 Ų | 121.3 | 52% | 0.519 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.3 | -45.2 | 173.2 | -172.2 | 167.8 | -148.2 | 0 | 0 | 111.4 | D859 R861 T865 L866 L867 | D859-E863 PolarHBondContact O-N 2.96Å; R861-E863 VanDerWaalsContact C-N 3.32Å; E863-T865 PolarHBondContact O-N 2.99Å; E863-L866 PolarHBondContact O-N 2.67Å; E863-L867 HydrophobicContact CG-CD1 4.14Å; E863-L867 WeakPolarHBondContact O-CG 3.39Å; E863-L867 PolarHBondContact O-N 3.36Å |
| 864 | A | 68.9 | Low | 59.4 | Low | 48 Ų | 48 | 122.3 Ų | 122.3 | 40% | 0.397 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66.2 | -32.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E860 R861 S868 | E860-A864 WeakPolarHBondContact O-CB 3.33Å; E860-A864 PolarHBondContact O-N 3.49Å; E860-A864 VanDerWaalsContact O-N 3.08Å; R861-A864 PolarHBondContact O-N 3.44Å; A864-S868 WeakPolarHBondContact O-CB 3.28Å; A864-S868 PolarHBondContact O-N 3.4Å; A864-S868 PolarHBondContact O-OG 2.92Å |
| 865 | T | 69.3 | Low | 58 | Low | 82 Ų | 82 | 120.1 Ų | 120.1 | 50% | 0.503 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.6 | -41.9 | 174.8 | 48.9 | 0 | 0 | 0 | 0 | 111.7 | R861 E862 E863 L867 S868 D869 | R861-T865 WeakPolarHBondContact O-CG2 3.36Å; R861-T865 PolarHBondContact O-N 2.94Å; R861-T865 PolarHBondContact O-OG1 3.2Å; R861-T865 VanDerWaalsContact O-OG1 3.1Å; E862-T865 PolarHBondContact O-OG1 3.02Å; E862-T865 VanDerWaalsContact O-OG1 3.04Å; E863-T865 PolarHBondContact O-N 2.99Å; T865-L867 VanDerWaalsContact C-N 3.31Å; T865-L867 PolarHBondContact O-N 2.65Å; T865-S868 WeakPolarHBondContact O-CB 3.38Å; T865-S868 PolarHBondContact O-N 3.43Å; T865-D869 PolarHBondContact O-N 3.43Å |
| 866 | L | 62.3 | Low | 56.8 | Low | 90 Ų | 90 | 117.7 Ų | 117.7 | 47% | 0.471 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -61.2 | -39.1 | 174 | -68.6 | 171.1 | 0 | 0 | 0 | 112.1 | L858 E862 E863 S868 | L858-L866 HydrophobicContact CD1-CD1 4.12Å; E862-L866 WeakPolarHBondContact O-CG 3.31Å; E862-L866 PolarHBondContact O-N 2.87Å; E863-L866 PolarHBondContact O-N 2.67Å; L866-S868 VanDerWaalsContact C-N 3.29Å; L866-S868 PolarHBondContact O-N 3Å |
| 867 | L | 58.8 | Low | 55.8 | Low | 111 Ų | 111 | 123 Ų | 123 | 58% | 0.581 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.6 | -18.4 | 173.8 | -70.4 | 168.8 | 0 | 0 | 0 | 114 | E863 T865 | E863-L867 HydrophobicContact CG-CD1 4.14Å; E863-L867 WeakPolarHBondContact O-CG 3.39Å; E863-L867 PolarHBondContact O-N 3.36Å; T865-L867 VanDerWaalsContact C-N 3.31Å; T865-L867 PolarHBondContact O-N 2.65Å |
| 868 | S | 55.2 | Low | 54.4 | Low | 82 Ų | 82 | 123.1 Ų | 123.1 | 57% | 0.573 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -83.6 | -33.9 | 178.7 | -62.9 | 0 | 0 | 0 | 0 | 112.7 | A864 T865 L866 | A864-S868 WeakPolarHBondContact O-CB 3.28Å; A864-S868 PolarHBondContact O-N 3.4Å; A864-S868 PolarHBondContact O-OG 2.92Å; T865-S868 WeakPolarHBondContact O-CB 3.38Å; T865-S868 PolarHBondContact O-N 3.43Å; L866-S868 VanDerWaalsContact C-N 3.29Å; L866-S868 PolarHBondContact O-N 3Å |
| 869 | D | 53 | Low | 52.7 | Low | 142 Ų | 142 | 129.2 Ų | 129.2 | 76% | 0.759 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -77.9 | -17 | -176.7 | -83.1 | -17.4 | 0 | 0 | 0 | 114 | T865 V871 | T865-D869 PolarHBondContact O-N 3.43Å; D869-V871 VanDerWaalsContact C-N 3.25Å; D869-V871 PolarHBondContact O-N 3.08Å |
| 870 | E | 48.4 | Very low | 50.4 | Low | 158 Ų | 158 | 130.1 Ų | 130.1 | 74% | 0.738 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -15.5 | 177.2 | -72.3 | -160.8 | 135.7 | 0 | 0 | 113.9 | K872 | E870-K872 VanDerWaalsContact C-N 3.28Å; E870-K872 PolarHBondContact O-N 3.31Å |
| 871 | V | 51.1 | Low | 48.6 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 76% | 0.758 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -88.1 | 53.2 | -174.9 | -163.3 | 0 | 0 | 0 | 0 | 112.5 | D869 | D869-V871 VanDerWaalsContact C-N 3.25Å; D869-V871 PolarHBondContact O-N 3.08Å |
| 872 | K | 46.2 | Very low | 46.5 | Very low | 194 Ų | 194 | 123 Ų | 123 | 84% | 0.843 | 69% | 0.688 | S | S | * | * | trans | -156.4 | 53.6 | 172.4 | -125.2 | 168.4 | -168.7 | 172.8 | 0 | 116.8 | E870 | E870-K872 VanDerWaalsContact C-N 3.28Å; E870-K872 PolarHBondContact O-N 3.31Å | ||
| 873 | I | 38.8 | Very low | 44.4 | Very low | 157 Ų | 157 | 125.9 Ų | 125.9 | 81% | 0.805 | 71% | 0.706 | S | S | * | * | trans | -102.5 | 132.8 | 163.6 | -60.4 | -179.1 | 0 | 0 | 0 | 109.5 | S875 | I873-S875 PolarHBondContact O-N 3.47Š| ||
| 874 | P | 33.7 | Very low | 42.4 | Very low | 123 Ų | 123 | 124.8 Ų | 124.8 | 80% | 0.799 | 71% | 0.711 | S | S | * | * | trans | -65.9 | 131.3 | -175.2 | -23.1 | 34.3 | 0 | 0 | 0 | 114.4 | G876 | P874-G876 PolarHBondContact O-N 3.41Š| ||
| 875 | S | 32.1 | Very low | 40.4 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | trans | -75.2 | 112.6 | 171.9 | 55 | 0 | 0 | 0 | 0 | 111.2 | I873 | I873-S875 PolarHBondContact O-N 3.47Š| ||
| 876 | G | 38 | Very low | 38.3 | Very low | 65 Ų | 65 | 133.3 Ų | 133.3 | 67% | 0.67 | 75% | 0.745 | S | S | * | * | trans | -148.1 | 7.8 | -176 | 0 | 0 | 0 | 0 | 0 | 116.6 | P874 | P874-G876 PolarHBondContact O-N 3.41Š| ||
| 877 | W | 30.7 | Very low | 36.7 | Very low | 264 Ų | 264 | 133.5 Ų | 133.5 | 100% | 1 | 75% | 0.754 | S | S | * | * | trans | -129.8 | 132.2 | 172 | -80.2 | 65.2 | 0 | 0 | 0 | 109 | ||||
| 878 | T | 32.1 | Very low | 35.4 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | -113.4 | 154.6 | -167 | -37.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 879 | E | 31.1 | Very low | 34.8 | Very low | 174 Ų | 174 | 139.3 Ų | 139.3 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | 68.4 | 149 | 163.5 | -84.9 | 155.4 | -136 | 0 | 0 | 117.4 | ||||
| 880 | S | 26.8 | Very low | 33.5 | Very low | 94 Ų | 94 | 137.9 Ų | 137.9 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | cis | -141.9 | 156.2 | 8.3 | -109.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 881 | S | 31.8 | Very low | 32.6 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | 23.5 | 143.1 | 142.6 | -59.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 882 | C | 26.1 | Very low | 31.7 | Very low | 108 Ų | 108 | 137.2 Ų | 137.2 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | cis | -162.3 | 162.8 | 0.9 | -105.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 883 | L | 28.1 | Very low | 31.1 | Very low | 164 Ų | 164 | 136 Ų | 136 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | -155 | 151 | 60.7 | -81.8 | 163.6 | 0 | 0 | 0 | 112.1 | |||||
| 884 | S | 27.6 | Very low | 30.7 | Very low | 89 Ų | 89 | 137.2 Ų | 137.2 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | trans | -65.3 | 147.5 | 173.2 | 52.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 885 | F | 26.8 | Very low | 30.7 | Very low | 208 Ų | 208 | 135.9 Ų | 135.9 | 91% | 0.912 | 78% | 0.782 | S | S | * | * | -152.3 | 121.3 | 116.5 | -106.2 | -70.4 | 0 | 0 | 0 | 112.5 | |||||
| 886 | S | 25.9 | Very low | 31.9 | Very low | 100 Ų | 100 | 135.2 Ų | 135.2 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -84.5 | 161.6 | 157.8 | -134.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 887 | S | 27.5 | Very low | 31.7 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | cis | -161.5 | 123.6 | 16.3 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 888 | K | 32.8 | Very low | 32 | Very low | 202 Ų | 202 | 134.3 Ų | 134.3 | 88% | 0.878 | 77% | 0.773 | S | S | * | * | trans | 51.9 | -162.8 | 150.2 | -37.6 | -171.4 | 173.6 | -176.7 | 0 | 116.2 | ||||
| 889 | P | 42.1 | Very low | 32.2 | Very low | 113 Ų | 113 | 133.8 Ų | 133.8 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -127.8 | 168 | -135.3 | 29.4 | -4.2 | 0 | 0 | 0 | 116.2 | ||||
| 890 | S | 24.8 | Very low | 32.3 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | 175.8 | 134.7 | 128.2 | -80.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 891 | N | 31 | Very low | 32.6 | Very low | 151 Ų | 151 | 131.2 Ų | 131.2 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | trans | 19.3 | 135.2 | 145.9 | -59.9 | -7.8 | 0 | 0 | 0 | 121.8 | ||||
| 892 | S | 31.5 | Very low | 32.7 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -42.5 | 141.3 | 156 | 52.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 893 | Q | 33.9 | Very low | 33 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -96.5 | 131.7 | 164.4 | -71.3 | -172.1 | -6 | 0 | 0 | 112.3 | ||||
| 894 | L | 29.9 | Very low | 33.1 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 95% | 0.953 | 78% | 0.779 | S | S | * | * | trans | -133.2 | 137.2 | 133.9 | -75.4 | 178.6 | 0 | 0 | 0 | 107.3 | ||||
| 895 | S | 34.7 | Very low | 34.7 | Very low | 96 Ų | 96 | 133.4 Ų | 133.4 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | trans | -103.6 | -174.7 | -166 | -43.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 896 | P | 57 | Low | 36.1 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -138.6 | 168.6 | -5.7 | 40.7 | -24.5 | 0 | 0 | 0 | 116.4 | ||||
| 897 | T | 32.7 | Very low | 36.4 | Very low | 130 Ų | 130 | 130.8 Ų | 130.8 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | 180 | 113.6 | 127.4 | 22.8 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 898 | Q | 38.2 | Very low | 36.7 | Very low | 181 Ų | 181 | 129.7 Ų | 129.7 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | 51.9 | 122.1 | 145.6 | -51.6 | -168.8 | 17.2 | 0 | 0 | 126.3 | ||||
| 899 | S | 36.4 | Very low | 36.8 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 77.6 | 116.1 | 135.4 | 61.4 | 0 | 0 | 0 | 0 | 127.2 | ||||
| 900 | A | 33.6 | Very low | 36.2 | Very low | 102 Ų | 102 | 130.6 Ų | 130.6 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | 74.3 | 167.5 | 137.2 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 901 | C | 31.9 | Very low | 36.5 | Very low | 111 Ų | 111 | 134.5 Ų | 134.5 | 75% | 0.75 | 80% | 0.795 | S | S | * | * | -169.5 | 157.9 | -56.2 | -140.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 902 | T | 35.1 | Very low | 36.3 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 57 | 151.8 | 160.9 | 53.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 903 | T | 31.9 | Very low | 36.1 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | cis | -167.2 | 126.9 | -18.4 | -87.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 904 | L | 29.2 | Very low | 36 | Very low | 160 Ų | 160 | 129.3 Ų | 129.3 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | 46.4 | 140 | 148.6 | -60.4 | 175.6 | 0 | 0 | 0 | 127.4 | ||||
| 905 | P | 61.4 | Low | 36.1 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -111.4 | 179.4 | 155.8 | 42.7 | -33.1 | 0 | 0 | 0 | 113.5 | ||||
| 906 | P | 56.5 | Low | 36.1 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | -162.2 | -176.3 | 106.9 | 43 | -23 | 0 | 0 | 0 | 119 | |||||
| 907 | C | 33.3 | Very low | 35.2 | Very low | 136 Ų | 136 | 124.5 Ų | 124.5 | 92% | 0.919 | 79% | 0.789 | S | S | * | * | trans | 71.9 | 153.7 | 160.1 | -70.6 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 908 | G | 32.8 | Very low | 35.5 | Very low | 71 Ų | 71 | 128 Ų | 128 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | cis | 168.6 | 132 | -12.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 909 | Q | 34.7 | Very low | 35.4 | Very low | 184 Ų | 184 | 125.4 Ų | 125.4 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | 67.8 | 145.2 | 153 | -91.7 | -167.4 | 20.3 | 0 | 0 | 125.7 | ||||
| 910 | I | 29.4 | Very low | 35.3 | Very low | 151 Ų | 151 | 126.3 Ų | 126.3 | 77% | 0.774 | 82% | 0.821 | S | S | * | * | trans | 89.2 | 145.7 | 151.8 | -70.3 | 163 | 0 | 0 | 0 | 120.6 | ||||
| 911 | K | 30.9 | Very low | 35.4 | Very low | 193 Ų | 193 | 127.7 Ų | 127.7 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | trans | -81.7 | 151.6 | -164.9 | -50 | 163.4 | -179.9 | 174.5 | 0 | 113.7 | ||||
| 912 | S | 27.5 | Very low | 35.6 | Very low | 111 Ų | 111 | 128.6 Ų | 128.6 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | 175.3 | 165.3 | 115.2 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 913 | C | 28.1 | Very low | 35.7 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | 70.8 | 125.4 | 161.9 | -63.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 914 | A | 31 | Very low | 35.9 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | 28.1 | 141 | 136.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 915 | S | 32.3 | Very low | 36.4 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | cis | -166.4 | 169.2 | 39 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 916 | S | 33.6 | Very low | 34.5 | Very low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 84% | 0.843 | S | S | * | * | trans | 35.1 | 128.2 | 146.9 | 60.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 917 | G | 39 | Very low | 32.6 | Very low | 71 Ų | 71 | 129.8 Ų | 129.8 | 73% | 0.732 | 85% | 0.85 | S | S | * | * | trans | 150.7 | 70.5 | 147.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 918 | S | 39.2 | Very low | 32.6 | Very low | 204 Ų | 204 | 129.2 Ų | 129.2 | 100% | 1.427 | 84% | 0.844 | S | S | * | * | trans | 63.9 | 0 | 161 | -55.5 | 0 | 0 | 0 | 0 | 118.6 |
Retrieved 918 of 918 residues in 773.7 ms
(Link to these results)