| 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 | 34.8 | Very low | 36.4 | Very low | 236 Ų | 236 | 159.9 Ų | 159.9 | 100% | 1.163 | 85% | 0.846 | S | S | * | * | 0 | 109.6 | 0 | -69.7 | -171.5 | 157.4 | 0 | 0 | 106.8 | |||||
| 2 | L | 28.7 | Very low | 36.8 | Very low | 154 Ų | 154 | 160.2 Ų | 160.2 | 81% | 0.806 | 85% | 0.847 | S | S | * | * | cis | -128.9 | 126.4 | 7.9 | -79.6 | 141.1 | 0 | 0 | 0 | 109.8 | ||||
| 3 | S | 34.2 | Very low | 36.7 | Very low | 104 Ų | 104 | 160.5 Ų | 160.5 | 73% | 0.727 | 85% | 0.848 | S | S | * | * | trans | -69.8 | 159.5 | 132.8 | -54.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 4 | D | 36.5 | Very low | 37 | Very low | 143 Ų | 143 | 156 Ų | 156 | 77% | 0.765 | 83% | 0.829 | S | S | * | * | trans | 92.1 | 71.7 | -174.6 | -47.7 | -30.5 | 0 | 0 | 0 | 114.8 | ||||
| 5 | E | 38 | Very low | 37.1 | Very low | 195 Ų | 195 | 156.6 Ų | 156.6 | 91% | 0.911 | 83% | 0.825 | S | S | * | * | S | Bend | trans | -174.2 | 84 | 136.9 | -107 | -169.8 | 107.4 | 0 | 0 | 109.8 | ||
| 6 | L | 35.1 | Very low | 36.8 | Very low | 170 Ų | 170 | 159.8 Ų | 159.8 | 89% | 0.89 | 83% | 0.831 | S | S | * | * | trans | -166.2 | 26.2 | 150.7 | -107.2 | 168.4 | 0 | 0 | 0 | 112.5 | S8 | L6-S8 PolarHBondContact O-N 2.73Š| ||
| 7 | D | 39.5 | Very low | 36.8 | Very low | 163 Ų | 163 | 158.1 Ų | 158.1 | 87% | 0.872 | 83% | 0.828 | S | S | * | * | trans | -93.4 | 72 | 167.3 | -164.7 | 3.3 | 0 | 0 | 0 | 108.9 | ||||
| 8 | S | 36.2 | Very low | 36.9 | Very low | 99 Ų | 99 | 157 Ų | 157 | 69% | 0.692 | 82% | 0.818 | S | S | * | * | trans | -168.3 | 87.3 | 178.3 | -85.4 | 0 | 0 | 0 | 0 | 112.4 | L6 | L6-S8 PolarHBondContact O-N 2.73Š| ||
| 9 | K | 36 | Very low | 37 | Very low | 196 Ų | 196 | 157.6 Ų | 157.6 | 85% | 0.852 | 82% | 0.823 | S | S | * | * | trans | 147.4 | 93.5 | 147.5 | -82 | 161.4 | -176.1 | 175.3 | 0 | 112.7 | E11 | K9-E11 VanDerWaalsContact C-N 3.29Å; K9-E11 PolarHBondContact O-N 3.15Å | ||
| 10 | P | 38.4 | Very low | 36.8 | Very low | 126 Ų | 126 | 154.5 Ų | 154.5 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | -87.5 | 34.4 | 173.8 | 36.5 | -35.6 | 0 | 0 | 0 | 113.9 | ||||
| 11 | E | 42.5 | Very low | 36.6 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 81% | 0.808 | 82% | 0.822 | S | S | * | * | trans | -121.5 | 23.1 | -169.9 | -74.6 | -140.6 | 129.4 | 0 | 0 | 116.2 | K9 | K9-E11 VanDerWaalsContact C-N 3.29Å; K9-E11 PolarHBondContact O-N 3.15Å | ||
| 12 | L | 41.2 | Very low | 36.4 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -126.9 | 22.8 | 172.1 | -75.8 | 177.4 | 0 | 0 | 0 | 114.8 | ||
| 13 | L | 35.9 | Very low | 36.6 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -125.7 | 18.1 | 174.4 | -116 | 162.5 | 0 | 0 | 0 | 114.1 | ||
| 14 | V | 40.7 | Very low | 36.3 | Very low | 97 Ų | 97 | 149.7 Ų | 149.7 | 59% | 0.588 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -107.6 | -20.3 | 175.3 | 177.2 | 0 | 0 | 0 | 0 | 112.4 | F16 | V14-F16 PolarHBondContact O-N 3.04Š|
| 15 | Q | 39.5 | Very low | 35.9 | Very low | 165 Ų | 165 | 149 Ų | 149 | 77% | 0.771 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | 12.5 | -169 | -123 | 176.3 | 19.7 | 0 | 0 | 116.5 | ||
| 16 | F | 31.8 | Very low | 35.5 | Very low | 208 Ų | 208 | 147.5 Ų | 147.5 | 91% | 0.912 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.6 | 2.8 | 175.3 | -126.7 | -89.4 | 0 | 0 | 0 | 115.1 | V14 | V14-F16 PolarHBondContact O-N 3.04Š|
| 17 | V | 36.6 | Very low | 35.2 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -104.2 | -2.7 | 177.1 | -177 | 0 | 0 | 0 | 0 | 112.2 | ||
| 18 | Q | 38.9 | Very low | 34.5 | Very low | 139 Ų | 139 | 145.5 Ų | 145.5 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -98.1 | 1.6 | -173.1 | -81.4 | 178 | -28.9 | 0 | 0 | 116.6 | ||
| 19 | N | 38.8 | Very low | 34.4 | Very low | 169 Ų | 169 | 149.1 Ų | 149.1 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -124.8 | 63.1 | 178.5 | -86.6 | -19.6 | 0 | 0 | 0 | 113.3 | ||
| 20 | A | 31.8 | Very low | 34 | Very low | 95 Ų | 95 | 146.9 Ų | 146.9 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -153.6 | 40.6 | 166 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 21 | S | 33.3 | Very low | 33.4 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | -88.9 | 103.2 | 176 | -63.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 22 | I | 30.1 | Very low | 32.7 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -134.7 | 137.7 | 165.5 | -66.3 | -173 | 0 | 0 | 0 | 108.1 | ||||
| 23 | P | 34 | Very low | 32 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | trans | -96 | 162.1 | -143.4 | 36.3 | -37.4 | 0 | 0 | 0 | 116.1 | ||||
| 24 | L | 28.3 | Very low | 31.7 | Very low | 156 Ų | 156 | 144.7 Ų | 144.7 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -68 | 127.7 | 159.5 | -145.2 | 103.5 | 0 | 0 | 0 | 109 | Q26 | L24-Q26 HydrophobicContact CD2-CG 4.37Š| ||
| 25 | V | 27.3 | Very low | 31.1 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 78% | 0.782 | 81% | 0.809 | S | S | * | * | trans | -110.2 | 110.9 | 167.4 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 26 | Q | 29.5 | Very low | 30.4 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 76% | 0.762 | 81% | 0.81 | S | S | * | * | trans | -107.5 | 165.6 | 154.6 | -78 | -175.6 | -55.7 | 0 | 0 | 108.7 | L24 | L24-Q26 HydrophobicContact CD2-CG 4.37Š| ||
| 27 | S | 29 | Very low | 30.1 | Very low | 112 Ų | 112 | 143 Ų | 143 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | trans | 73.4 | 106.9 | 176.3 | -56.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 28 | L | 25.8 | Very low | 29.5 | Very low | 179 Ų | 179 | 145 Ų | 145 | 94% | 0.937 | 81% | 0.809 | S | S | * | * | -145.4 | 101.8 | 122.6 | -101.4 | 169.5 | 0 | 0 | 0 | 107.3 | |||||
| 29 | E | 33.4 | Very low | 29.4 | Very low | 175 Ų | 175 | 143 Ų | 143 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -102.7 | 150.6 | 158.2 | -76 | -178.7 | 126.8 | 0 | 0 | 108.2 | ||||
| 30 | D | 26.7 | Very low | 28.8 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | 60 | 105 | 164.1 | -57.6 | -28.4 | 0 | 0 | 0 | 121 | ||||
| 31 | S | 26.6 | Very low | 28.6 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | -160.5 | 105.3 | 116.5 | 16.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 32 | E | 27.1 | Very low | 28.5 | Very low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | 23.8 | 115.4 | 137.5 | -54.7 | -179.5 | 103.1 | 0 | 0 | 119.1 | ||||
| 33 | S | 26.3 | Very low | 29 | Very low | 104 Ų | 104 | 141.6 Ų | 141.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | 168.7 | 152.8 | 96.1 | 55.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 34 | K | 29.5 | Very low | 28.7 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 77% | 0.774 | 80% | 0.798 | S | S | * | * | trans | 68.3 | 80.8 | 164.7 | -60.1 | 168.8 | -173.7 | 171.6 | 0 | 118.3 | ||||
| 35 | H | 28.7 | Very low | 28.5 | Very low | 205 Ų | 205 | 140.3 Ų | 140.3 | 95% | 0.949 | 80% | 0.797 | S | S | * | * | -136.9 | 91.8 | 128.6 | -84.4 | -64.6 | 0 | 0 | 0 | 110.5 | |||||
| 36 | S | 25.7 | Very low | 28.6 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -91 | 134 | 167.1 | 54.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 37 | C | 24.1 | Very low | 28.5 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -3.2 | 139.9 | 161.2 | -52 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 38 | L | 25.4 | Very low | 28.4 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | -162.8 | 147.3 | 111.7 | -99.6 | 174.6 | 0 | 0 | 0 | 111.2 | |||||
| 39 | P | 36.6 | Very low | 28.4 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 63% | 0.63 | 78% | 0.78 | S | S | * | * | trans | -110.2 | 178.7 | 174.2 | 41.9 | -33.4 | 0 | 0 | 0 | 113.1 | ||||
| 40 | L | 26 | Very low | 28.4 | Very low | 158 Ų | 158 | 131.5 Ų | 131.5 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | trans | 67.7 | 136.2 | 168.9 | -56.7 | 159.9 | 0 | 0 | 0 | 114.2 | ||||
| 41 | L | 27.4 | Very low | 28.8 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | -157.5 | 152.4 | 56.9 | -108.9 | 93.1 | 0 | 0 | 0 | 111.3 | |||||
| 42 | A | 30.1 | Very low | 28.9 | Very low | 85 Ų | 85 | 132.5 Ų | 132.5 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | -84.5 | 168.9 | 151 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 43 | P | 41.9 | Very low | 29 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | -153 | 175.2 | 76 | 40.8 | -22 | 0 | 0 | 0 | 116.1 | |||||
| 44 | A | 27.1 | Very low | 29 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | trans | 57.2 | 150.1 | 141.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 45 | D | 25.1 | Very low | 28.9 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | cis | 166.3 | 162.8 | -26.2 | -118.2 | -47.6 | 0 | 0 | 0 | 104.7 | ||||
| 46 | S | 29.6 | Very low | 28.8 | Very low | 99 Ų | 99 | 126.5 Ų | 126.5 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | trans | 67.3 | 112 | 163 | 79.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 47 | S | 26.6 | Very low | 28.9 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 69% | 0.692 | 76% | 0.762 | S | S | * | * | 101 | 143.1 | 85.2 | 72 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 48 | L | 27.2 | Very low | 29.1 | Very low | 153 Ų | 153 | 122.4 Ų | 122.4 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | cis | -160.3 | 166.3 | 4.9 | -113.4 | 155.4 | 0 | 0 | 0 | 109.5 | ||||
| 49 | C | 26.3 | Very low | 29.3 | Very low | 107 Ų | 107 | 122.4 Ų | 122.4 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | trans | 47 | 114.8 | 152 | -74.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 50 | S | 31.7 | Very low | 28.8 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | -66.5 | 152.6 | 130.2 | -43.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 51 | P | 35.8 | Very low | 29 | Very low | 128 Ų | 128 | 124 Ų | 124 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -113 | 166.3 | 144.8 | 34.2 | -25.6 | 0 | 0 | 0 | 111.6 | ||||
| 52 | L | 28.7 | Very low | 29.2 | Very low | 156 Ų | 156 | 124 Ų | 124 | 82% | 0.817 | 76% | 0.759 | S | S | * | * | trans | -119.5 | 165.7 | -172.7 | -114.7 | 174.5 | 0 | 0 | 0 | 109.6 | ||||
| 53 | E | 28.8 | Very low | 30 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 66% | 0.659 | 75% | 0.754 | S | S | * | * | trans | 83.9 | 122.1 | 156.6 | -68.5 | -65.1 | 84.3 | 0 | 0 | 123 | ||||
| 54 | L | 27.1 | Very low | 29.3 | Very low | 132 Ų | 132 | 125.3 Ų | 125.3 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | 95.1 | 128.7 | 128.6 | -72.3 | 167.2 | 0 | 0 | 0 | 124.8 | |||||
| 55 | T | 27.7 | Very low | 29.4 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | trans | 70 | 148.2 | 150.3 | 57.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 56 | D | 26.4 | Very low | 29.6 | Very low | 155 Ų | 155 | 122.9 Ų | 122.9 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | cis | -159.3 | 158.8 | -1.4 | -134 | -42.3 | 0 | 0 | 0 | 112.1 | ||||
| 57 | G | 28.2 | Very low | 29.6 | Very low | 76 Ų | 76 | 123.1 Ų | 123.1 | 78% | 0.784 | 74% | 0.744 | S | S | * | * | trans | 61.4 | 154.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 58 | G | 27.2 | Very low | 29.8 | Very low | 68 Ų | 68 | 124 Ų | 124 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | cis | 150 | 148.3 | 1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 59 | L | 29.6 | Very low | 30.1 | Very low | 171 Ų | 171 | 124.5 Ų | 124.5 | 90% | 0.895 | 75% | 0.753 | S | S | * | * | trans | 79.7 | 114.1 | -179 | -49.1 | 172.6 | 0 | 0 | 0 | 115 | ||||
| 60 | S | 27 | Very low | 31.1 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 72% | 0.72 | 76% | 0.759 | S | S | * | * | 88.6 | 92.9 | 50.4 | -65.6 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 61 | H | 30.5 | Very low | 31.1 | Very low | 185 Ų | 185 | 128 Ų | 128 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | -173.7 | 105.8 | 129 | -113.3 | -73.7 | 0 | 0 | 0 | 113.5 | |||||
| 62 | E | 30.7 | Very low | 31.1 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 75% | 0.752 | 76% | 0.757 | S | S | * | * | trans | -76.6 | 170.3 | 141.4 | -81.9 | -70 | 122.9 | 0 | 0 | 107.7 | ||||
| 63 | P | 47.8 | Very low | 31.1 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 60% | 0.604 | 76% | 0.757 | S | S | * | * | cis | -155.9 | -178.3 | 35.9 | 44.8 | -22.8 | 0 | 0 | 0 | 119.2 | ||||
| 64 | D | 25.7 | Very low | 31 | Very low | 135 Ų | 135 | 124.4 Ų | 124.4 | 72% | 0.722 | 77% | 0.766 | S | S | * | * | trans | 64.8 | 150.8 | 138.1 | -77.5 | -33.6 | 0 | 0 | 0 | 121.2 | ||||
| 65 | S | 30.2 | Very low | 31.3 | Very low | 90 Ų | 90 | 124.4 Ų | 124.4 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | cis | -168.3 | 156 | -22.5 | -117.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 66 | S | 29.5 | Very low | 32.3 | Very low | 96 Ų | 96 | 124.6 Ų | 124.6 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | trans | 66.1 | 107.7 | 136.7 | 74.1 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 67 | S | 29.3 | Very low | 32.7 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | 65.6 | 139.5 | 114.3 | 76.6 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 68 | S | 31.6 | Very low | 32.8 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 114.8 | 140.9 | 135.6 | -58.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 69 | L | 32.8 | Very low | 33 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -82.6 | 173.7 | -179.6 | -66 | 160.2 | 0 | 0 | 0 | 113 | ||||
| 70 | P | 46.5 | Very low | 34.3 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | -147.5 | -166.2 | 95.5 | 37.5 | -18 | 0 | 0 | 0 | 116.3 | |||||
| 71 | E | 33.3 | Very low | 34.4 | Very low | 163 Ų | 163 | 131.7 Ų | 131.7 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -99.5 | -179.2 | -157.9 | -61.8 | 177.8 | 92.5 | 0 | 0 | 118.8 | ||||
| 72 | F | 35.6 | Very low | 34.3 | Very low | 189 Ų | 189 | 128.7 Ų | 128.7 | 83% | 0.829 | 77% | 0.768 | S | S | * | * | trans | 105.9 | 115.9 | 143.7 | -83.4 | -72.8 | 0 | 0 | 0 | 122.6 | ||||
| 73 | G | 28.1 | Very low | 34.2 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 81% | 0.814 | 76% | 0.764 | S | S | * | * | 115.8 | 124.9 | 119.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 74 | G | 26.5 | Very low | 33.4 | Very low | 83 Ų | 83 | 129.8 Ų | 129.8 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | 140.8 | 116.9 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 75 | V | 33 | Very low | 33.6 | Very low | 132 Ų | 132 | 127.3 Ų | 127.3 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | trans | -137.5 | 151.9 | 166.6 | -166.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 76 | P | 48.5 | Very low | 33.7 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | -145.9 | 137.6 | 106.4 | 29.9 | -10.3 | 0 | 0 | 0 | 114.1 | |||||
| 77 | Q | 35.2 | Very low | 33.6 | Very low | 171 Ų | 171 | 132 Ų | 132 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | 58.3 | 120.9 | 87.8 | -88.7 | -143.5 | 41.5 | 0 | 0 | 118.8 | |||||
| 78 | Q | 29.8 | Very low | 33.7 | Very low | 184 Ų | 184 | 135.9 Ų | 135.9 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | -176.1 | 161.4 | 113.7 | -96.8 | 178 | 25.7 | 0 | 0 | 113.7 | |||||
| 79 | S | 32.7 | Very low | 34.7 | Very low | 107 Ų | 107 | 135.5 Ų | 135.5 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -136.4 | -156.6 | -179.7 | -49.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 80 | P | 55.5 | Low | 34.9 | Very low | 106 Ų | 106 | 133.8 Ų | 133.8 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | cis | -144.7 | -158.9 | -6.1 | 29.2 | -1.3 | 0 | 0 | 0 | 116.1 | ||||
| 81 | L | 29.6 | Very low | 34.2 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | 94.1 | 145 | 156.3 | -49.1 | -177.2 | 0 | 0 | 0 | 118 | ||||
| 82 | V | 29.6 | Very low | 34.5 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | cis | -166 | 160.5 | 8.1 | 98.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 83 | V | 27.1 | Very low | 34.1 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 68% | 0.679 | 78% | 0.779 | S | S | * | * | trans | 67.4 | 133 | 159 | 160.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 84 | Q | 32.2 | Very low | 34.1 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | cis | 90 | 142.8 | 38.9 | -77.3 | 172.1 | -69.8 | 0 | 0 | 115.6 | ||||
| 85 | S | 29.5 | Very low | 35.1 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 58% | 0.58 | 77% | 0.771 | S | S | * | * | cis | -178.5 | 171.8 | -14 | 46.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 86 | H | 32.4 | Very low | 35.4 | Very low | 188 Ų | 188 | 131.4 Ų | 131.4 | 87% | 0.87 | 77% | 0.767 | S | S | * | * | trans | 76.9 | 155 | 167.9 | -63.2 | -68.4 | 0 | 0 | 0 | 119.4 | ||||
| 87 | A | 27.6 | Very low | 34.3 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | cis | -164.3 | 180 | -11 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 88 | Q | 31.3 | Very low | 33.8 | Very low | 186 Ų | 186 | 129.1 Ų | 129.1 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | trans | -120.4 | -179.8 | 175.5 | -91.6 | -174.6 | -71.3 | 0 | 0 | 111.3 | ||||
| 89 | P | 52.6 | Low | 33.6 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | cis | -123.9 | -164.6 | -41.8 | 38.4 | -20 | 0 | 0 | 0 | 111.3 | ||||
| 90 | P | 37.4 | Very low | 33.4 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | -156.3 | -178.1 | 95.2 | 40.5 | -20.1 | 0 | 0 | 0 | 116.9 | |||||
| 91 | A | 31.4 | Very low | 32 | Very low | 89 Ų | 89 | 130.1 Ų | 130.1 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | trans | -115.9 | 168.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 92 | P | 39 | Very low | 32.1 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | -162.9 | 175.1 | 96.1 | 42 | -20.6 | 0 | 0 | 0 | 119.8 | |||||
| 93 | Q | 26.8 | Very low | 32.3 | Very low | 191 Ų | 191 | 133.6 Ų | 133.6 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | 87 | 148.4 | 156.1 | -46 | -160.4 | 10.2 | 0 | 0 | 122.5 | ||||
| 94 | S | 28.4 | Very low | 32.5 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -154.8 | -177.9 | -172.4 | 66.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 95 | P | 48.5 | Very low | 32.3 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | cis | -124.7 | -139.3 | 9.1 | 33.7 | -7.6 | 0 | 0 | 0 | 109.6 | ||||
| 96 | P | 39.3 | Very low | 32.2 | Very low | 113 Ų | 113 | 135.5 Ų | 135.5 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -140.8 | 173.4 | -8.3 | 43.3 | -24 | 0 | 0 | 0 | 119.2 | ||||
| 97 | A | 24.6 | Very low | 32.4 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | trans | 59.8 | 105.3 | 145.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 98 | M | 24.9 | Very low | 32.8 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | 176.1 | 132.3 | 97.9 | -81.3 | -102.6 | 87.7 | 0 | 0 | 111.4 | |||||
| 99 | L | 25.6 | Very low | 33 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | trans | 24 | 149.3 | 146.6 | -62 | 161.3 | 0 | 0 | 0 | 121.6 | ||||
| 100 | H | 28.2 | Very low | 31.9 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | cis | -169.8 | 167 | -22.5 | -160.7 | -87.7 | 0 | 0 | 0 | 107.1 | ||||
| 101 | D | 26.4 | Very low | 31.8 | Very low | 118 Ų | 118 | 128.2 Ų | 128.2 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | trans | -20.9 | 140.3 | -179.3 | -76.8 | -64.4 | 0 | 0 | 0 | 121.8 | ||||
| 102 | L | 30.6 | Very low | 31.9 | Very low | 183 Ų | 183 | 129.7 Ų | 129.7 | 96% | 0.958 | 72% | 0.719 | S | S | * | * | trans | -137.5 | 78.2 | 145.3 | -94 | 174.9 | 0 | 0 | 0 | 110.2 | ||||
| 103 | Q | 33.8 | Very low | 31.7 | Very low | 166 Ų | 166 | 129.1 Ų | 129.1 | 78% | 0.776 | 71% | 0.71 | S | S | * | * | trans | -105.6 | 141.4 | 170.5 | -164.5 | 72.3 | -7.7 | 0 | 0 | 110.5 | ||||
| 104 | Q | 31.9 | Very low | 32.1 | Very low | 159 Ų | 159 | 124.6 Ų | 124.6 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | trans | -36.1 | 145.8 | -177.9 | -59.6 | -75.9 | -28.7 | 0 | 0 | 116.6 | ||||
| 105 | P | 28.1 | Very low | 32.5 | Very low | 113 Ų | 113 | 123.6 Ų | 123.6 | 73% | 0.734 | 68% | 0.677 | S | S | * | * | trans | -74.9 | 131.2 | -178.8 | 30.5 | -34.9 | 0 | 0 | 0 | 113.8 | ||||
| 106 | D | 27 | Very low | 31.8 | Very low | 130 Ų | 130 | 121 Ų | 121 | 70% | 0.695 | 67% | 0.665 | S | S | * | * | trans | -73.6 | 162 | -176.7 | -74.6 | -47.7 | 0 | 0 | 0 | 115.9 | T108 S109 | D106-T108 PolarHBondContact O-N 3.5Å; D106-S109 PolarHBondContact O-N 2.62Å | ||
| 107 | S | 36.2 | Very low | 31.6 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 72% | 0.72 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54 | -15.6 | -177.3 | -165 | 0 | 0 | 0 | 0 | 115.9 | S109 Y110 | S107-S109 PolarHBondContact O-N 3.43Å; S107-Y110 PolarHBondContact O-N 3.15Å |
| 108 | T | 36.6 | Very low | 32.1 | Very low | 99 Ų | 99 | 120.6 Ų | 120.6 | 61% | 0.607 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -64.3 | -33.9 | 178.2 | 43.3 | 0 | 0 | 0 | 0 | 113.5 | D106 Y110 V111 L112 | D106-T108 PolarHBondContact O-N 3.5Å; T108-Y110 VanDerWaalsContact C-N 3.3Å; T108-Y110 PolarHBondContact O-N 3.34Å; T108-V111 PolarHBondContact O-N 2.74Å; T108-L112 PolarHBondContact O-N 2.9Å |
| 109 | S | 34.7 | Very low | 32.6 | Very low | 77 Ų | 77 | 117.7 Ų | 117.7 | 54% | 0.538 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -64.6 | -31.8 | 179.8 | -70.1 | 0 | 0 | 0 | 0 | 113.3 | D106 S107 V111 L113 | D106-S109 PolarHBondContact O-N 2.62Å; S107-S109 PolarHBondContact O-N 3.43Å; S109-V111 VanDerWaalsContact C-N 3.33Å; S109-V111 PolarHBondContact O-N 3.18Å; S109-L113 PolarHBondContact O-N 2.39Å |
| 110 | Y | 29.9 | Very low | 33.1 | Very low | 181 Ų | 181 | 116.8 Ų | 116.8 | 71% | 0.71 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -73.9 | -24.8 | 179.5 | -125.4 | -89 | 0 | 0 | 0 | 112.9 | S107 T108 N114 | S107-Y110 PolarHBondContact O-N 3.15Å; T108-Y110 VanDerWaalsContact C-N 3.3Å; T108-Y110 PolarHBondContact O-N 3.34Å; Y110-N114 PolarHBondContact O-ND2 3.47Å |
| 111 | V | 35.1 | Very low | 33.4 | Very low | 94 Ų | 94 | 113.4 Ų | 113.4 | 57% | 0.57 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -77.4 | -44.3 | 177.8 | -179 | 0 | 0 | 0 | 0 | 110.7 | T108 S109 L113 N114 L115 | T108-V111 PolarHBondContact O-N 2.74Å; S109-V111 VanDerWaalsContact C-N 3.33Å; S109-V111 PolarHBondContact O-N 3.18Å; V111-L113 PolarHBondContact O-N 3.19Å; V111-N114 PolarHBondContact O-N 3.36Å; V111-L115 PolarHBondContact O-N 3.18Å |
| 112 | L | 33.8 | Very low | 33.8 | Very low | 119 Ų | 119 | 113 Ų | 113 | 62% | 0.623 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -63.6 | -42 | -179.1 | -69.6 | 170.3 | 0 | 0 | 0 | 112.6 | T108 N114 L115 A116 | T108-L112 PolarHBondContact O-N 2.9Å; L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 PolarHBondContact O-N 3.12Å; L112-L115 WeakPolarHBondContact O-CB 3.4Å; L112-L115 PolarHBondContact O-N 3.41Å; L112-L115 VanDerWaalsContact O-N 3.17Å; L112-A116 PolarHBondContact O-N 3.11Å; L112-A116 VanDerWaalsContact O-N 3.08Å |
| 113 | L | 35.4 | Very low | 34.2 | Very low | 101 Ų | 101 | 109.1 Ų | 109.1 | 53% | 0.529 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.7 | -30.1 | 179.6 | -163.5 | 71.3 | 0 | 0 | 0 | 113 | S109 V111 K117 | S109-L113 PolarHBondContact O-N 2.39Å; V111-L113 PolarHBondContact O-N 3.19Å; L113-K117 WeakPolarHBondContact O-CG 3.23Å; L113-K117 PolarHBondContact O-N 2.82Å |
| 114 | N | 34.9 | Very low | 34.2 | Very low | 96 Ų | 96 | 110.1 Ų | 110.1 | 51% | 0.513 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -82.1 | -26.5 | 175.2 | -75.7 | -60 | 0 | 0 | 0 | 112.7 | Y110 V111 L112 G118 | Y110-N114 PolarHBondContact O-ND2 3.47Å; V111-N114 PolarHBondContact O-N 3.36Å; L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 PolarHBondContact O-N 3.12Å; N114-G118 PolarHBondContact O-N 3.03Å |
| 115 | L | 37 | Very low | 34.5 | Very low | 86 Ų | 86 | 108.2 Ų | 108.2 | 45% | 0.45 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67.5 | -46 | 172.5 | -152.2 | 75.3 | 0 | 0 | 0 | 111 | V111 L112 K117 G118 I119 | V111-L115 PolarHBondContact O-N 3.18Å; L112-L115 WeakPolarHBondContact O-CB 3.4Å; L112-L115 PolarHBondContact O-N 3.41Å; L112-L115 VanDerWaalsContact O-N 3.17Å; L115-K117 PolarHBondContact O-N 3.49Å; L115-G118 PolarHBondContact O-N 3.03Å; L115-G118 VanDerWaalsContact O-N 3.1Å; L115-I119 WeakPolarHBondContact O-CG1 3.19Å; L115-I119 PolarHBondContact O-N 3.19Å |
| 116 | A | 34 | Very low | 34.7 | Very low | 59 Ų | 59 | 110.6 Ų | 110.6 | 49% | 0.488 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -59.9 | -41.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L112 G118 I119 | L112-A116 PolarHBondContact O-N 3.11Å; L112-A116 VanDerWaalsContact O-N 3.08Å; A116-G118 VanDerWaalsContact C-N 3.25Å; A116-G118 PolarHBondContact O-N 2.98Å; A116-I119 PolarHBondContact O-N 2.9Å |
| 117 | K | 35.3 | Very low | 34.9 | Very low | 143 Ų | 143 | 112.1 Ų | 112.1 | 62% | 0.622 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.2 | -14.7 | 176.8 | -70.9 | 175.1 | -179.6 | 176 | 0 | 114.2 | L113 L115 | L113-K117 WeakPolarHBondContact O-CG 3.23Å; L113-K117 PolarHBondContact O-N 2.82Å; L115-K117 PolarHBondContact O-N 3.49Å |
| 118 | G | 34.4 | Very low | 34.4 | Very low | 45 Ų | 45 | 117 Ų | 117 | 46% | 0.464 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -87 | -23.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N114 L115 A116 | N114-G118 PolarHBondContact O-N 3.03Å; L115-G118 PolarHBondContact O-N 3.03Å; L115-G118 VanDerWaalsContact O-N 3.1Å; A116-G118 VanDerWaalsContact C-N 3.25Å; A116-G118 PolarHBondContact O-N 2.98Å |
| 119 | I | 36.5 | Very low | 33.9 | Very low | 100 Ų | 100 | 116.9 Ų | 116.9 | 51% | 0.513 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -77 | -28.7 | -172.6 | -68.2 | 164.6 | 0 | 0 | 0 | 112 | L115 A116 A121 | L115-I119 WeakPolarHBondContact O-CG1 3.19Å; L115-I119 PolarHBondContact O-N 3.19Å; A116-I119 PolarHBondContact O-N 2.9Å; I119-A121 PolarHBondContact O-N 3.17Å; I119-A121 VanDerWaalsContact O-N 3.17Å |
| 120 | T | 36 | Very low | 33.5 | Very low | 123 Ų | 123 | 118 Ų | 118 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 0.4 | 179.9 | 54.2 | 0 | 0 | 0 | 0 | 115 | ||
| 121 | A | 33 | Very low | 33.4 | Very low | 87 Ų | 87 | 117.7 Ų | 117.7 | 72% | 0.719 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 12.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | I119 | I119-A121 PolarHBondContact O-N 3.17Å; I119-A121 VanDerWaalsContact O-N 3.17Å |
| 122 | S | 36.6 | Very low | 33 | Very low | 108 Ų | 108 | 116.9 Ų | 116.9 | 76% | 0.755 | 71% | 0.705 | S | S | * | * | trans | -149.7 | 44 | -175.5 | -171.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 123 | S | 37.6 | Very low | 32.8 | Very low | 103 Ų | 103 | 115.7 Ų | 115.7 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | -107.4 | 44.9 | 175.9 | 64.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 124 | E | 35.2 | Very low | 32.5 | Very low | 187 Ų | 187 | 117.8 Ų | 117.8 | 87% | 0.874 | 73% | 0.728 | S | S | * | * | trans | -128.2 | 67 | 170.8 | -72.9 | -167.4 | 147.4 | 0 | 0 | 110.9 | ||||
| 125 | S | 38 | Very low | 32.2 | Very low | 118 Ų | 118 | 119.9 Ų | 119.9 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -169.7 | 28 | 168.8 | -85.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 126 | L | 31.6 | Very low | 31.8 | Very low | 164 Ų | 164 | 123.9 Ų | 123.9 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | trans | -144.1 | 77.3 | 169.9 | -80.9 | -179.2 | 0 | 0 | 0 | 112.4 | ||||
| 127 | I | 31.9 | Very low | 31.9 | Very low | 161 Ų | 161 | 129.7 Ų | 129.7 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -136.2 | 151.5 | 160.8 | -58.2 | -178.8 | 0 | 0 | 0 | 106.5 | ||||
| 128 | F | 25.4 | Very low | 31.6 | Very low | 206 Ų | 206 | 129.7 Ų | 129.7 | 90% | 0.904 | 79% | 0.785 | S | S | * | * | trans | 80.5 | 119.3 | -158.2 | -70.2 | -89 | 0 | 0 | 0 | 113.8 | ||||
| 129 | A | 25.9 | Very low | 31.5 | Very low | 96 Ų | 96 | 135.3 Ų | 135.3 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | cis | -146.9 | 147.8 | 3.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 130 | A | 26.6 | Very low | 31.1 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | trans | -143.6 | 95.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 131 | D | 27.7 | Very low | 30.6 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | -159 | 135.4 | 163.2 | -114.7 | -30.7 | 0 | 0 | 0 | 107.1 | ||||
| 132 | G | 27.2 | Very low | 30.4 | Very low | 77 Ų | 77 | 135.5 Ų | 135.5 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | trans | 133.7 | 65.1 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 133 | A | 28 | Very low | 30 | Very low | 94 Ų | 94 | 135.8 Ų | 135.8 | 78% | 0.777 | 82% | 0.815 | S | S | * | * | trans | -77 | 136.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 134 | V | 29 | Very low | 29.4 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 87% | 0.873 | 82% | 0.818 | S | S | * | * | trans | -146 | 127.5 | 145.1 | -151.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 135 | D | 28.7 | Very low | 29 | Very low | 141 Ų | 141 | 132.9 Ų | 132.9 | 75% | 0.754 | 82% | 0.815 | S | S | * | * | trans | -71 | 150.1 | 169.3 | -48.2 | -93.4 | 0 | 0 | 0 | 110.5 | ||||
| 136 | D | 28.3 | Very low | 28.6 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | -171.8 | 146.3 | 129.7 | -104.9 | -42.3 | 0 | 0 | 0 | 109.6 | |||||
| 137 | E | 36.7 | Very low | 28.5 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -96.6 | 167.7 | -168.9 | -57.9 | -140.1 | 110 | 0 | 0 | 114 | ||||
| 138 | D | 29.1 | Very low | 28.3 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 76% | 0.759 | 81% | 0.808 | S | S | * | * | trans | 107.8 | 138.9 | 137.5 | -113.3 | -18.1 | 0 | 0 | 0 | 122.8 | ||||
| 139 | E | 33.1 | Very low | 28.6 | Very low | 164 Ų | 164 | 130.8 Ų | 130.8 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | trans | 52.8 | 97.7 | 163 | -63.5 | -62 | 176.4 | 0 | 0 | 122.6 | ||||
| 140 | G | 26.6 | Very low | 28.9 | Very low | 64 Ų | 64 | 130.1 Ų | 130.1 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | 65 | 115.6 | 104 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 141 | V | 27.2 | Very low | 29.5 | Very low | 154 Ų | 154 | 130.5 Ų | 130.5 | 93% | 0.933 | 80% | 0.8 | S | S | * | * | trans | -166.5 | 157.2 | 131.4 | 135.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 142 | S | 27.6 | Very low | 30.2 | Very low | 96 Ų | 96 | 125.2 Ų | 125.2 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | -96.2 | 160.1 | -154.6 | 62.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 143 | S | 28.4 | Very low | 31.2 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | trans | 56.2 | 116.5 | 138.2 | 62.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 144 | G | 26.2 | Very low | 32 | Very low | 77 Ų | 77 | 130.2 Ų | 130.2 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -163 | 67.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 112 | Y146 | G144-Y146 PolarHBondContact O-N 3.48Š| ||
| 145 | D | 25.7 | Very low | 32.2 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | -67.5 | 120.6 | 180 | -113.6 | -51.4 | 0 | 0 | 0 | 112.4 | ||||
| 146 | Y | 30.5 | Very low | 32.9 | Very low | 238 Ų | 238 | 126.5 Ų | 126.5 | 93% | 0.933 | 73% | 0.733 | S | S | * | * | trans | -146.9 | 85.7 | 155.4 | -86.8 | -73.6 | 0 | 0 | 0 | 108.7 | G144 | G144-Y146 PolarHBondContact O-N 3.48Š| ||
| 147 | G | 28.1 | Very low | 33.5 | Very low | 59 Ų | 59 | 126.6 Ų | 126.6 | 61% | 0.608 | 72% | 0.721 | S | S | * | * | trans | -80.1 | 141.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 148 | M | 29.1 | Very low | 33.9 | Very low | 165 Ų | 165 | 121.9 Ų | 121.9 | 81% | 0.813 | 70% | 0.704 | S | S | * | * | trans | -149.1 | 131.3 | 139.8 | -85.2 | -50.5 | 168.7 | 0 | 0 | 110.7 | G150 | M148-G150 PolarHBondContact O-N 2.9Å; M148-G150 VanDerWaalsContact O-N 3.14Å | ||
| 149 | D | 31.1 | Very low | 34.7 | Very low | 142 Ų | 142 | 120.1 Ų | 120.1 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | trans | 35.8 | 48.3 | 148.7 | 63.7 | 15 | 0 | 0 | 0 | 123.5 | S151 | D149-S151 VanDerWaalsContact C-N 3.3Å; D149-S151 PolarHBondContact O-N 2.91Å | ||
| 150 | G | 32.9 | Very low | 35.2 | Very low | 82 Ų | 82 | 118.1 Ų | 118.1 | 85% | 0.845 | 68% | 0.682 | S | S | * | * | trans | -70.4 | 63.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | M148 A152 | M148-G150 PolarHBondContact O-N 2.9Å; M148-G150 VanDerWaalsContact O-N 3.14Å; G150-A152 PolarHBondContact O-N 2.78Å | ||
| 151 | S | 38.4 | Very low | 36.2 | Very low | 110 Ų | 110 | 120.4 Ų | 120.4 | 77% | 0.769 | 68% | 0.678 | S | S | * | * | trans | -75.1 | 85.4 | 172.4 | 52.6 | 0 | 0 | 0 | 0 | 112.3 | D149 | D149-S151 VanDerWaalsContact C-N 3.3Å; D149-S151 PolarHBondContact O-N 2.91Å | ||
| 152 | A | 42.2 | Very low | 37.2 | Very low | 63 Ų | 63 | 115.7 Ų | 115.7 | 52% | 0.521 | 66% | 0.656 | S | S | . | * | trans | -55.8 | 127.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | G150 W154 | G150-A152 PolarHBondContact O-N 2.78Å; A152-W154 PolarHBondContact O-N 2.98Å | ||
| 153 | P | 48.3 | Very low | 38.6 | Very low | 80 Ų | 80 | 115.9 Ų | 115.9 | 52% | 0.519 | 65% | 0.646 | S | S | . | * | trans | -50.8 | 128.3 | 178.7 | -30 | 34.3 | 0 | 0 | 0 | 111.5 | Y155 L156 | P153-Y155 PolarHBondContact O-N 2.9Å; P153-L156 WeakPolarHBondContact O-CB 3.48Å; P153-L156 PolarHBondContact O-N 3.29Å | ||
| 154 | W | 44.2 | Very low | 39.8 | Very low | 196 Ų | 196 | 114.8 Ų | 114.8 | 74% | 0.742 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -49.9 | -32.8 | -174.3 | 64.9 | -91.3 | 0 | 0 | 0 | 113.4 | A152 L156 R157 V158 | A152-W154 PolarHBondContact O-N 2.98Å; W154-L156 PolarHBondContact O-N 3.48Å; W154-R157 PolarHBondContact O-N 3Å; W154-V158 HydrophobicContact CE3-CG2 4.13Å; W154-V158 WeakPolarHBondContact O-CG2 3.34Å; W154-V158 PolarHBondContact O-N 3.5Å |
| 155 | Y | 33.4 | Very low | 41.1 | Very low | 115 Ų | 115 | 114.9 Ų | 114.9 | 45% | 0.451 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -56.9 | -42 | 174.3 | -176 | -97.6 | 0 | 0 | 0 | 113.6 | P153 V158 Q159 | P153-Y155 PolarHBondContact O-N 2.9Å; Y155-V158 PolarHBondContact O-N 2.96Å; Y155-Q159 VanDerWaalsContact O-CB 3.3Å; Y155-Q159 WeakPolarHBondContact O-CB 3.43Å; Y155-Q159 PolarHBondContact O-N 3.37Å |
| 156 | L | 43.2 | Very low | 42.5 | Very low | 93 Ų | 93 | 111.9 Ų | 111.9 | 49% | 0.487 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.8 | -40.5 | 178.1 | -68.7 | 176.4 | 0 | 0 | 0 | 111.3 | P153 W154 Q159 E160 | P153-L156 WeakPolarHBondContact O-CB 3.48Å; P153-L156 PolarHBondContact O-N 3.29Å; W154-L156 PolarHBondContact O-N 3.48Å; L156-Q159 WeakPolarHBondContact O-CB 3.32Å; L156-Q159 PolarHBondContact O-N 3.38Å; L156-Q159 VanDerWaalsContact O-N 3.15Å; L156-E160 WeakPolarHBondContact O-CB 3.3Å; L156-E160 PolarHBondContact O-N 3.01Å |
| 157 | R | 41.4 | Very low | 43.9 | Very low | 171 Ų | 171 | 103.1 Ų | 103.1 | 65% | 0.645 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.4 | -33.9 | 179.6 | -155 | 166 | -169.3 | 149.8 | 2.8 | 112.3 | W154 L161 | W154-R157 PolarHBondContact O-N 3Å; R157-L161 WeakPolarHBondContact O-CB 3.45Å; R157-L161 WeakPolarHBondContact O-CD1 3.22Å; R157-L161 VanDerWaalsContact O-CG 3.28Å; R157-L161 WeakPolarHBondContact O-CG 3.37Å; R157-L161 PolarHBondContact O-N 2.81Å |
| 158 | V | 45.9 | Very low | 45.6 | Very low | 82 Ų | 82 | 103.1 Ų | 103.1 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.8 | -38.7 | 168.8 | 170 | 0 | 0 | 0 | 0 | 111.2 | W154 Y155 A162 | W154-V158 HydrophobicContact CE3-CG2 4.13Å; W154-V158 WeakPolarHBondContact O-CG2 3.34Å; W154-V158 PolarHBondContact O-N 3.5Å; Y155-V158 PolarHBondContact O-N 2.96Å; V158-A162 VanDerWaalsContact O-CB 3.26Å; V158-A162 WeakPolarHBondContact O-CB 3.38Å; V158-A162 PolarHBondContact O-N 3.06Å |
| 159 | Q | 45.5 | Very low | 47 | Very low | 105 Ų | 105 | 97.8 Ų | 97.8 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.6 | -36.6 | 179 | -162.6 | 165.4 | 29.6 | 0 | 0 | 112.4 | Y155 L156 H163 | Y155-Q159 VanDerWaalsContact O-CB 3.3Å; Y155-Q159 WeakPolarHBondContact O-CB 3.43Å; Y155-Q159 PolarHBondContact O-N 3.37Å; L156-Q159 WeakPolarHBondContact O-CB 3.32Å; L156-Q159 PolarHBondContact O-N 3.38Å; L156-Q159 VanDerWaalsContact O-N 3.15Å; Q159-H163 VanDerWaalsContact O-CB 3.29Å; Q159-H163 WeakPolarHBondContact O-CB 3.42Å; Q159-H163 PolarHBondContact O-N 3.41Å |
| 160 | E | 43.8 | Very low | 48.2 | Very low | 123 Ų | 123 | 94.5 Ų | 94.5 | 58% | 0.575 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -68.9 | -50.1 | 175.4 | -164.7 | 163.2 | -134.7 | 0 | 0 | 111.4 | L156 A162 H163 D164 | L156-E160 WeakPolarHBondContact O-CB 3.3Å; L156-E160 PolarHBondContact O-N 3.01Å; E160-A162 VanDerWaalsContact C-N 3.32Å; E160-A162 PolarHBondContact O-N 2.93Å; E160-H163 WeakPolarHBondContact O-CB 3.49Å; E160-H163 PolarHBondContact O-N 3.09Å; E160-D164 PolarHBondContact O-N 3.38Å |
| 161 | L | 47.7 | Very low | 49.9 | Very low | 111 Ų | 111 | 99.1 Ų | 99.1 | 58% | 0.581 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.3 | -37 | 175 | -73.3 | 167.7 | 0 | 0 | 0 | 113.4 | R157 S165 | R157-L161 WeakPolarHBondContact O-CB 3.45Å; R157-L161 WeakPolarHBondContact O-CD1 3.22Å; R157-L161 VanDerWaalsContact O-CG 3.28Å; R157-L161 WeakPolarHBondContact O-CG 3.37Å; R157-L161 PolarHBondContact O-N 2.81Å; L161-S165 VanDerWaalsContact O-CB 3.31Å; L161-S165 WeakPolarHBondContact O-CB 3.27Å; L161-S165 PolarHBondContact O-N 2.8Å; L161-S165 PolarHBondContact O-OG 3.04Å |
| 162 | A | 47.9 | Very low | 51.4 | Low | 56 Ų | 56 | 96.2 Ų | 96.2 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -69.8 | -35.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V158 E160 L166 | V158-A162 VanDerWaalsContact O-CB 3.26Å; V158-A162 WeakPolarHBondContact O-CB 3.38Å; V158-A162 PolarHBondContact O-N 3.06Å; E160-A162 VanDerWaalsContact C-N 3.32Å; E160-A162 PolarHBondContact O-N 2.93Å; A162-L166 WeakPolarHBondContact O-CB 3.27Å; A162-L166 PolarHBondContact O-N 3.01Å; A162-L166 VanDerWaalsContact O-N 3.09Å |
| 163 | H | 57.7 | Low | 52.2 | Low | 100 Ų | 100 | 96.8 Ų | 96.8 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68 | -44.5 | 176.3 | -179.5 | -98.9 | 0 | 0 | 0 | 111.5 | Q159 E160 L166 I167 | Q159-H163 VanDerWaalsContact O-CB 3.29Å; Q159-H163 WeakPolarHBondContact O-CB 3.42Å; Q159-H163 PolarHBondContact O-N 3.41Å; E160-H163 WeakPolarHBondContact O-CB 3.49Å; E160-H163 PolarHBondContact O-N 3.09Å; H163-L166 WeakPolarHBondContact O-CB 3.24Å; H163-L166 PolarHBondContact O-N 3.35Å; H163-I167 WeakPolarHBondContact CE1-CD1 3.28Å; H163-I167 WeakPolarHBondContact O-CG1 3.42Å; H163-I167 PolarHBondContact O-N 3.41Å |
| 164 | D | 52.3 | Low | 53.2 | Low | 90 Ų | 90 | 98.3 Ų | 98.3 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.9 | -37 | 179.6 | -68 | -13.9 | 0 | 0 | 0 | 112.1 | E160 L166 I167 A168 | E160-D164 PolarHBondContact O-N 3.38Å; D164-L166 VanDerWaalsContact C-N 3.31Å; D164-L166 PolarHBondContact O-N 2.95Å; D164-I167 PolarHBondContact O-N 2.9Å; D164-A168 WeakPolarHBondContact O-CB 3.32Å; D164-A168 PolarHBondContact O-N 3.22Å |
| 165 | S | 54.7 | Low | 54.5 | Low | 80 Ų | 80 | 92 Ų | 92 | 56% | 0.559 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62 | -39.1 | 171.6 | -60.7 | 0 | 0 | 0 | 0 | 112 | L161 A169 | L161-S165 VanDerWaalsContact O-CB 3.31Å; L161-S165 WeakPolarHBondContact O-CB 3.27Å; L161-S165 PolarHBondContact O-N 2.8Å; L161-S165 PolarHBondContact O-OG 3.04Å; S165-A169 WeakPolarHBondContact O-CB 3.45Å; S165-A169 PolarHBondContact O-N 3.14Å |
| 166 | L | 54.7 | Low | 56.3 | Low | 89 Ų | 89 | 93 Ų | 93 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 176.1 | -176.5 | 62.6 | 0 | 0 | 0 | 111.5 | A162 H163 D164 A168 A169 T170 | A162-L166 WeakPolarHBondContact O-CB 3.27Å; A162-L166 PolarHBondContact O-N 3.01Å; A162-L166 VanDerWaalsContact O-N 3.09Å; H163-L166 WeakPolarHBondContact O-CB 3.24Å; H163-L166 PolarHBondContact O-N 3.35Å; D164-L166 VanDerWaalsContact C-N 3.31Å; D164-L166 PolarHBondContact O-N 2.95Å; L166-A168 VanDerWaalsContact C-N 3.34Å; L166-A168 PolarHBondContact O-N 2.8Å; L166-A169 PolarHBondContact O-N 3.31Å; L166-T170 PolarHBondContact O-N 3.19Å; L166-T170 PolarHBondContact O-OG1 2.94Å |
| 167 | I | 60.1 | Low | 57.4 | Low | 54 Ų | 54 | 92.5 Ų | 92.5 | 28% | 0.277 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 174.5 | -72.8 | 172.1 | 0 | 0 | 0 | 111 | H163 D164 T170 R171 | H163-I167 WeakPolarHBondContact CE1-CD1 3.28Å; H163-I167 WeakPolarHBondContact O-CG1 3.42Å; H163-I167 PolarHBondContact O-N 3.41Å; D164-I167 PolarHBondContact O-N 2.9Å; I167-T170 PolarHBondContact O-N 3.26Å; I167-R171 VanDerWaalsContact CG2-CZ 3.49Å; I167-R171 WeakPolarHBondContact O-CB 3.34Å; I167-R171 WeakPolarHBondContact O-CG 3.34Å; I167-R171 PolarHBondContact O-N 3.26Å |
| 168 | A | 62.7 | Low | 58.8 | Low | 58 Ų | 58 | 87.2 Ų | 87.2 | 48% | 0.479 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D164 L166 R171 A172 | D164-A168 WeakPolarHBondContact O-CB 3.32Å; D164-A168 PolarHBondContact O-N 3.22Å; L166-A168 VanDerWaalsContact C-N 3.34Å; L166-A168 PolarHBondContact O-N 2.8Å; A168-R171 PolarHBondContact O-N 3.29Å; A168-A172 WeakPolarHBondContact O-CB 3.33Å; A168-A172 PolarHBondContact O-N 3.13Å |
| 169 | A | 58.6 | Low | 60.2 | Low | 54 Ų | 54 | 89.2 Ų | 89.2 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S165 L166 A172 Q173 | S165-A169 WeakPolarHBondContact O-CB 3.45Å; S165-A169 PolarHBondContact O-N 3.14Å; L166-A169 PolarHBondContact O-N 3.31Å; A169-A172 PolarHBondContact O-N 2.95Å; A169-Q173 PolarHBondContact O-N 3.46Å |
| 170 | T | 57.7 | Low | 61.1 | Low | 72 Ų | 72 | 86.9 Ų | 86.9 | 44% | 0.442 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 176.4 | -56.5 | 0 | 0 | 0 | 0 | 111.7 | L166 I167 A172 Q173 L174 | L166-T170 PolarHBondContact O-N 3.19Å; L166-T170 PolarHBondContact O-OG1 2.94Å; I167-T170 PolarHBondContact O-N 3.26Å; T170-A172 VanDerWaalsContact C-N 3.34Å; T170-A172 PolarHBondContact O-N 2.85Å; T170-Q173 PolarHBondContact O-N 3.47Å; T170-L174 HydrophobicContact CG2-CD1 4.24Å; T170-L174 WeakPolarHBondContact O-CG 3.44Å; T170-L174 PolarHBondContact O-N 3.32Å |
| 171 | R | 67.4 | Low | 61.9 | Low | 180 Ų | 180 | 85.2 Ų | 85.2 | 68% | 0.679 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61 | -42.3 | 173.6 | -74.2 | 174.1 | 176.6 | 155.5 | -0.7 | 111.6 | I167 A168 Q173 L174 A175 | I167-R171 VanDerWaalsContact CG2-CZ 3.49Å; I167-R171 WeakPolarHBondContact O-CB 3.34Å; I167-R171 WeakPolarHBondContact O-CG 3.34Å; I167-R171 PolarHBondContact O-N 3.26Å; A168-R171 PolarHBondContact O-N 3.29Å; R171-Q173 VanDerWaalsContact C-N 3.32Å; R171-Q173 PolarHBondContact O-N 2.81Å; R171-L174 PolarHBondContact O-N 3.02Å; R171-A175 WeakPolarHBondContact O-CB 3.19Å; R171-A175 PolarHBondContact O-N 3.28Å |
| 172 | A | 69.4 | Low | 62.8 | Low | 48 Ų | 48 | 86.6 Ų | 86.6 | 40% | 0.397 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68 | -27.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A168 A169 T170 R176 | A168-A172 WeakPolarHBondContact O-CB 3.33Å; A168-A172 PolarHBondContact O-N 3.13Å; A169-A172 PolarHBondContact O-N 2.95Å; T170-A172 VanDerWaalsContact C-N 3.34Å; T170-A172 PolarHBondContact O-N 2.85Å; A172-R176 WeakPolarHBondContact O-CG 3.44Å; A172-R176 PolarHBondContact O-N 2.89Å; A172-R176 PolarHBondContact O-NE 3.15Å |
| 173 | Q | 58.5 | Low | 63.7 | Low | 76 Ų | 76 | 87.7 Ų | 87.7 | 36% | 0.355 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.6 | -50.7 | 171.6 | -175.9 | 62.1 | 52.5 | 0 | 0 | 111 | A169 T170 R171 A175 R176 D177 | A169-Q173 PolarHBondContact O-N 3.46Å; T170-Q173 PolarHBondContact O-N 3.47Å; R171-Q173 VanDerWaalsContact C-N 3.32Å; R171-Q173 PolarHBondContact O-N 2.81Å; Q173-A175 VanDerWaalsContact C-N 3.27Å; Q173-A175 PolarHBondContact O-N 3.35Å; Q173-R176 WeakPolarHBondContact O-CA 3.46Å; Q173-R176 WeakPolarHBondContact O-CB 3.47Å; Q173-R176 PolarHBondContact O-N 2.88Å; Q173-D177 VanDerWaalsContact NE2-CG 3.3Å; Q173-D177 PolarHBondContact NE2-OD1 3.18Å; Q173-D177 PolarHBondContact NE2-OD2 3.37Å; Q173-D177 VanDerWaalsContact NE2-OD2 3.1Å; Q173-D177 VanDerWaalsContact O-CG 3.3Å; Q173-D177 PolarHBondContact O-N 3.37Å |
| 174 | L | 69.9 | Low | 63.6 | Low | 111 Ų | 111 | 85.7 Ų | 85.7 | 58% | 0.581 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59 | -36.7 | 177.6 | -69.7 | 170.3 | 0 | 0 | 0 | 112.5 | T170 R171 D177 A178 | T170-L174 HydrophobicContact CG2-CD1 4.24Å; T170-L174 WeakPolarHBondContact O-CG 3.44Å; T170-L174 PolarHBondContact O-N 3.32Å; R171-L174 PolarHBondContact O-N 3.02Å; L174-D177 PolarHBondContact O-N 2.94Å; L174-A178 VanDerWaalsContact O-CB 3.23Å; L174-A178 WeakPolarHBondContact O-CB 3.28Å; L174-A178 PolarHBondContact O-N 2.82Å |
| 175 | A | 72.2 | Confident | 63.9 | Low | 63 Ų | 63 | 90.7 Ų | 90.7 | 52% | 0.521 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -37.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R171 Q173 K179 | R171-A175 WeakPolarHBondContact O-CB 3.19Å; R171-A175 PolarHBondContact O-N 3.28Å; Q173-A175 VanDerWaalsContact C-N 3.27Å; Q173-A175 PolarHBondContact O-N 3.35Å; A175-K179 WeakPolarHBondContact O-CB 3.36Å; A175-K179 PolarHBondContact O-N 3.41Å |
| 176 | R | 71.1 | Confident | 64.2 | Low | 138 Ų | 138 | 91 Ų | 91 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.8 | -40.2 | 175 | -77.9 | 179.7 | -73.4 | 114.6 | -2.9 | 111.9 | A172 Q173 K179 A180 | A172-R176 WeakPolarHBondContact O-CG 3.44Å; A172-R176 PolarHBondContact O-N 2.89Å; A172-R176 PolarHBondContact O-NE 3.15Å; Q173-R176 WeakPolarHBondContact O-CA 3.46Å; Q173-R176 WeakPolarHBondContact O-CB 3.47Å; Q173-R176 PolarHBondContact O-N 2.88Å; R176-K179 PolarHBondContact O-N 2.81Å; R176-A180 WeakPolarHBondContact O-CB 3.49Å; R176-A180 PolarHBondContact O-N 3.47Å |
| 177 | D | 66.4 | Low | 64.4 | Low | 82 Ų | 82 | 90 Ų | 90 | 44% | 0.439 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.7 | -37.3 | 178.8 | -59.8 | -26.2 | 0 | 0 | 0 | 111.6 | Q173 L174 A180 N181 | Q173-D177 VanDerWaalsContact NE2-CG 3.3Å; Q173-D177 PolarHBondContact NE2-OD1 3.18Å; Q173-D177 PolarHBondContact NE2-OD2 3.37Å; Q173-D177 VanDerWaalsContact NE2-OD2 3.1Å; Q173-D177 VanDerWaalsContact O-CG 3.3Å; Q173-D177 PolarHBondContact O-N 3.37Å; L174-D177 PolarHBondContact O-N 2.94Å; D177-A180 PolarHBondContact O-N 3.42Å; D177-N181 WeakPolarHBondContact O-CB 3.44Å; D177-N181 PolarHBondContact O-N 2.94Å |
| 178 | A | 69.9 | Low | 64.2 | Low | 59 Ų | 59 | 90.2 Ų | 90.2 | 49% | 0.488 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L174 N181 Q182 | L174-A178 VanDerWaalsContact O-CB 3.23Å; L174-A178 WeakPolarHBondContact O-CB 3.28Å; L174-A178 PolarHBondContact O-N 2.82Å; A178-N181 PolarHBondContact O-N 3.33Å; A178-Q182 WeakPolarHBondContact O-CB 3.29Å; A178-Q182 PolarHBondContact O-N 2.97Å |
| 179 | K | 75.1 | Confident | 63.4 | Low | 124 Ų | 124 | 93.5 Ų | 93.5 | 54% | 0.539 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 174.9 | -174.1 | 175.2 | 172.5 | 55.5 | 0 | 111.6 | A175 R176 N181 Q182 D183 | A175-K179 WeakPolarHBondContact O-CB 3.36Å; A175-K179 PolarHBondContact O-N 3.41Å; R176-K179 PolarHBondContact O-N 2.81Å; K179-N181 VanDerWaalsContact C-N 3.3Å; K179-N181 PolarHBondContact O-N 3.24Å; K179-Q182 WeakPolarHBondContact O-CB 3.47Å; K179-Q182 PolarHBondContact O-N 3.07Å; K179-Q182 VanDerWaalsContact O-N 3.11Å; K179-D183 WeakPolarHBondContact CG-OD2 3.46Å; K179-D183 IonicContact NZ-OD1 2.75Å; K179-D183 IonicContact NZ-OD2 3.22Å; K179-D183 WeakPolarHBondContact O-CB 3.38Å; K179-D183 PolarHBondContact O-N 3.11Å |
| 180 | A | 65.3 | Low | 62.5 | Low | 57 Ų | 57 | 95.5 Ų | 95.5 | 47% | 0.471 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60.7 | -36.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | R176 D177 A184 | R176-A180 WeakPolarHBondContact O-CB 3.49Å; R176-A180 PolarHBondContact O-N 3.47Å; D177-A180 PolarHBondContact O-N 3.42Å; A180-A184 VanDerWaalsContact O-CB 3.22Å; A180-A184 WeakPolarHBondContact O-CB 3.47Å; A180-A184 PolarHBondContact O-N 3.15Å |
| 181 | N | 60.9 | Low | 61.4 | Low | 87 Ų | 87 | 99.8 Ų | 99.8 | 47% | 0.465 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -70.6 | -35 | 174.5 | -170.5 | 4.2 | 0 | 0 | 0 | 112.4 | D177 A178 K179 R185 | D177-N181 WeakPolarHBondContact O-CB 3.44Å; D177-N181 PolarHBondContact O-N 2.94Å; A178-N181 PolarHBondContact O-N 3.33Å; K179-N181 VanDerWaalsContact C-N 3.3Å; K179-N181 PolarHBondContact O-N 3.24Å; N181-R185 WeakPolarHBondContact O-CG 3.34Å; N181-R185 PolarHBondContact O-N 3.41Å; N181-R185 VanDerWaalsContact O-N 3.08Å; N181-R185 PolarHBondContact OD1-NH1 3.38Å |
| 182 | Q | 66 | Low | 59.9 | Low | 141 Ų | 141 | 94 Ų | 94 | 66% | 0.659 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -70.3 | -42.5 | 174.4 | -167 | 171.6 | 11.7 | 0 | 0 | 111.6 | A178 K179 R185 A186 | A178-Q182 WeakPolarHBondContact O-CB 3.29Å; A178-Q182 PolarHBondContact O-N 2.97Å; K179-Q182 WeakPolarHBondContact O-CB 3.47Å; K179-Q182 PolarHBondContact O-N 3.07Å; K179-Q182 VanDerWaalsContact O-N 3.11Å; Q182-R185 PolarHBondContact O-N 3.4Å; Q182-A186 PolarHBondContact O-N 3.1Å |
| 183 | D | 66.9 | Low | 58.3 | Low | 79 Ų | 79 | 98.8 Ų | 98.8 | 42% | 0.422 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -66.4 | -38.2 | 175.7 | -63.7 | -19.8 | 0 | 0 | 0 | 110.7 | K179 R185 A186 A187 | K179-D183 WeakPolarHBondContact CG-OD2 3.46Å; K179-D183 IonicContact NZ-OD1 2.75Å; K179-D183 IonicContact NZ-OD2 3.22Å; K179-D183 WeakPolarHBondContact O-CB 3.38Å; K179-D183 PolarHBondContact O-N 3.11Å; D183-R185 PolarHBondContact O-N 3.11Å; D183-A186 PolarHBondContact O-N 2.57Å; D183-A187 WeakPolarHBondContact O-CB 3.37Å; D183-A187 PolarHBondContact O-N 3.32Å |
| 184 | A | 56.1 | Low | 57 | Low | 57 Ų | 57 | 103.5 Ų | 103.5 | 47% | 0.471 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.1 | -34.7 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | A180 A187 | A180-A184 VanDerWaalsContact O-CB 3.22Å; A180-A184 WeakPolarHBondContact O-CB 3.47Å; A180-A184 PolarHBondContact O-N 3.15Å; A184-A187 PolarHBondContact O-N 2.88Å |
| 185 | R | 59 | Low | 55.3 | Low | 195 Ų | 195 | 106 Ų | 106 | 74% | 0.736 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -70.2 | -35.1 | 171.5 | -80.7 | 177.8 | 158.5 | 126.4 | -9.8 | 112.5 | N181 Q182 D183 A187 | N181-R185 WeakPolarHBondContact O-CG 3.34Å; N181-R185 PolarHBondContact O-N 3.41Å; N181-R185 VanDerWaalsContact O-N 3.08Å; N181-R185 PolarHBondContact OD1-NH1 3.38Å; Q182-R185 PolarHBondContact O-N 3.4Å; D183-R185 PolarHBondContact O-N 3.11Å; R185-A187 VanDerWaalsContact C-N 3.33Å |
| 186 | A | 60.7 | Low | 53.7 | Low | 88 Ų | 88 | 108.8 Ų | 108.8 | 73% | 0.727 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71 | -28.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q182 D183 G188 | Q182-A186 PolarHBondContact O-N 3.1Å; D183-A186 PolarHBondContact O-N 2.57Å; A186-G188 VanDerWaalsContact C-N 3.3Å; A186-G188 PolarHBondContact O-N 3.11Å |
| 187 | A | 58.9 | Low | 51.9 | Low | 68 Ų | 68 | 111.8 Ų | 111.8 | 56% | 0.562 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D183 A184 R185 V189 | D183-A187 WeakPolarHBondContact O-CB 3.37Å; D183-A187 PolarHBondContact O-N 3.32Å; A184-A187 PolarHBondContact O-N 2.88Å; R185-A187 VanDerWaalsContact C-N 3.33Å; A187-V189 VanDerWaalsContact C-N 3.35Å; A187-V189 PolarHBondContact O-N 3.41Å |
| 188 | G | 55.3 | Low | 50.1 | Low | 57 Ų | 57 | 111.2 Ų | 111.2 | 59% | 0.588 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.7 | 28.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | A186 S190 | A186-G188 VanDerWaalsContact C-N 3.3Å; A186-G188 PolarHBondContact O-N 3.11Å; G188-S190 PolarHBondContact O-N 3.16Å |
| 189 | V | 45.3 | Very low | 48.7 | Very low | 127 Ų | 127 | 114.2 Ų | 114.2 | 77% | 0.77 | 67% | 0.674 | S | S | * | * | trans | -73 | 92.1 | 179.2 | -174.4 | 0 | 0 | 0 | 0 | 110.4 | A187 | A187-V189 VanDerWaalsContact C-N 3.35Å; A187-V189 PolarHBondContact O-N 3.41Å | ||
| 190 | S | 39.4 | Very low | 46.7 | Very low | 96 Ų | 96 | 116 Ų | 116 | 67% | 0.671 | 69% | 0.689 | S | S | * | * | trans | -80.6 | 139 | 169.8 | 52.7 | 0 | 0 | 0 | 0 | 111.2 | G188 | G188-S190 PolarHBondContact O-N 3.16Š| ||
| 191 | N | 35.2 | Very low | 44.9 | Very low | 163 Ų | 163 | 119.6 Ų | 119.6 | 87% | 0.872 | 70% | 0.699 | S | S | * | * | trans | -110 | 106.4 | 151.5 | -87.1 | -25.8 | 0 | 0 | 0 | 106 | ||||
| 192 | G | 35.3 | Very low | 43.5 | Very low | 59 Ų | 59 | 123.3 Ų | 123.3 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | trans | -59.2 | 139.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 193 | D | 36.3 | Very low | 41.8 | Very low | 147 Ų | 147 | 120.2 Ų | 120.2 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | 86.7 | 114.4 | 62.9 | -77.4 | -43 | 0 | 0 | 0 | 112 | |||||
| 194 | H | 32 | Very low | 40.5 | Very low | 176 Ų | 176 | 126.1 Ų | 126.1 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | trans | -144.8 | 94.1 | 141.8 | -111 | 41.7 | 0 | 0 | 0 | 112.4 | ||||
| 195 | H | 33.3 | Very low | 39.3 | Very low | 163 Ų | 163 | 129.2 Ų | 129.2 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 76 | 141.9 | 138.8 | -72.8 | 81.4 | 0 | 0 | 0 | 121.7 | ||||
| 196 | T | 39.3 | Very low | 38.7 | Very low | 121 Ų | 121 | 129 Ų | 129 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -114.2 | 145.9 | -161.3 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 197 | H | 32.5 | Very low | 37.5 | Very low | 202 Ų | 202 | 134.6 Ų | 134.6 | 94% | 0.935 | 77% | 0.769 | S | S | * | * | trans | -169.7 | 140.5 | 141.7 | -93.6 | -79.7 | 0 | 0 | 0 | 104.3 | ||||
| 198 | G | 29.9 | Very low | 36.4 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | cis | 158.7 | 131.3 | 6.7 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 199 | S | 40.4 | Very low | 35.3 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | trans | -65 | 149.6 | -168.8 | -49.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 200 | I | 31.5 | Very low | 34.8 | Very low | 163 Ų | 163 | 144.7 Ų | 144.7 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -164.2 | 156 | 145.9 | -96.5 | 145.9 | 0 | 0 | 0 | 108.9 | ||||
| 201 | D | 29 | Very low | 34.6 | Very low | 131 Ų | 131 | 146 Ų | 146 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -68.3 | 170.9 | -168.8 | -52 | -104.5 | 0 | 0 | 0 | 117.4 | ||||
| 202 | D | 31.2 | Very low | 34.5 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | trans | 45.3 | 133.2 | 151.3 | -63.9 | -34.5 | 0 | 0 | 0 | 121.6 | ||||
| 203 | G | 30.9 | Very low | 34.5 | Very low | 77 Ų | 77 | 152.6 Ų | 152.6 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | 138.2 | 115.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 204 | E | 38.1 | Very low | 34.5 | Very low | 203 Ų | 203 | 149 Ų | 149 | 95% | 0.949 | 81% | 0.808 | S | S | * | * | trans | -28 | 132.1 | 156.1 | -55.5 | 166.8 | 163.1 | 0 | 0 | 116 | ||||
| 205 | D | 31.1 | Very low | 34.7 | Very low | 121 Ų | 121 | 151.3 Ų | 151.3 | 65% | 0.647 | 81% | 0.81 | S | S | * | * | -167.4 | 138.6 | 129.5 | -154.1 | 1 | 0 | 0 | 0 | 111.8 | R207 | D205-R207 IonicContact OD2-CZ 3.56Å; D205-R207 IonicContact OD2-NE 3.62Å; D205-R207 IonicContact OD2-NH2 2.67Å; D205-R207 PolarHBondContact OD2-NH2 3.12Å | |||
| 206 | E | 46.5 | Very low | 34.9 | Very low | 190 Ų | 190 | 148.9 Ų | 148.9 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | trans | -82.6 | 120.5 | 171.8 | -73.4 | -157.3 | 115.5 | 0 | 0 | 110.5 | ||||
| 207 | R | 36 | Very low | 35 | Very low | 207 Ų | 207 | 150.5 Ų | 150.5 | 78% | 0.781 | 81% | 0.812 | S | S | * | * | trans | -140.4 | 112.2 | 164.6 | -110.1 | 171.4 | -80 | -171.2 | -3.3 | 111.2 | D205 L209 | D205-R207 IonicContact OD2-CZ 3.56Å; D205-R207 IonicContact OD2-NE 3.62Å; D205-R207 IonicContact OD2-NH2 2.67Å; D205-R207 PolarHBondContact OD2-NH2 3.12Å; R207-L209 PolarHBondContact O-N 2.93Å; R207-L209 VanDerWaalsContact O-N 3.15Å | ||
| 208 | E | 35.6 | Very low | 35.6 | Very low | 198 Ų | 198 | 146.3 Ų | 146.3 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | -55.4 | 116 | 179.1 | -64.4 | -168.5 | 122.7 | 0 | 0 | 111.4 | ||||
| 209 | L | 32.4 | Very low | 36.9 | Very low | 160 Ų | 160 | 150.2 Ų | 150.2 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 122.9 | 162.8 | -84.1 | 160.4 | 0 | 0 | 0 | 108.1 | R207 | R207-L209 PolarHBondContact O-N 2.93Å; R207-L209 VanDerWaalsContact O-N 3.15Å |
| 210 | P | 35.6 | Very low | 38.4 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 69% | 0.688 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 137.5 | 177.5 | 25 | -33.5 | 0 | 0 | 0 | 109.6 | R212 | P210-R212 PolarHBondContact O-N 3.16Å; P210-R212 VanDerWaalsContact O-N 3.12Å |
| 211 | P | 33.7 | Very low | 40.7 | Very low | 122 Ų | 122 | 146.8 Ų | 146.8 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 122.6 | -178.1 | 23.5 | -33.1 | 0 | 0 | 0 | 109.4 | P213 | P211-P213 VanDerWaalsContact O-N 3.16Š|
| 212 | R | 33 | Very low | 43.4 | Very low | 237 Ų | 237 | 141.5 Ų | 141.5 | 89% | 0.894 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 123.7 | 178.3 | -66.4 | -176.7 | 179.7 | -146 | -0.5 | 108.4 | P210 G214 | P210-R212 PolarHBondContact O-N 3.16Å; P210-R212 VanDerWaalsContact O-N 3.12Å; R212-G214 PolarHBondContact O-N 3.4Å |
| 213 | P | 37.1 | Very low | 46 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | trans | -60.4 | 115.3 | 179 | 22.9 | -32.1 | 0 | 0 | 0 | 108.5 | P211 R215 | P211-P213 VanDerWaalsContact O-N 3.16Å; P213-R215 PolarHBondContact O-N 2.94Å | ||
| 214 | G | 36.4 | Very low | 48.5 | Very low | 71 Ų | 71 | 139.2 Ų | 139.2 | 73% | 0.732 | 70% | 0.704 | S | S | * | * | trans | -58.1 | 111.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | R212 P216 | R212-G214 PolarHBondContact O-N 3.4Å; G214-P216 VanDerWaalsContact O-CD 3.28Å; G214-P216 WeakPolarHBondContact O-CD 3.5Å | ||
| 215 | R | 34.1 | Very low | 50.6 | Low | 224 Ų | 224 | 134.7 Ų | 134.7 | 85% | 0.845 | 70% | 0.695 | S | S | * | * | trans | -54.6 | 114.8 | 177.3 | -169.5 | -169.4 | -55.5 | -98.8 | 2.6 | 107.6 | P213 L217 | P213-R215 PolarHBondContact O-N 2.94Å; R215-L217 PolarHBondContact O-N 3.16Å | ||
| 216 | P | 38.8 | Very low | 53 | Low | 113 Ų | 113 | 134.5 Ų | 134.5 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | trans | -67.7 | 109.2 | -177.1 | 25.8 | -32.3 | 0 | 0 | 0 | 108.1 | G214 S218 | G214-P216 VanDerWaalsContact O-CD 3.28Å; G214-P216 WeakPolarHBondContact O-CD 3.5Å; P216-S218 PolarHBondContact O-N 2.75Å | ||
| 217 | L | 40.8 | Very low | 54.4 | Low | 155 Ų | 155 | 134.2 Ų | 134.2 | 81% | 0.812 | 69% | 0.687 | S | S | * | * | trans | -64.9 | 91.9 | 163.6 | -74 | 170.5 | 0 | 0 | 0 | 106.7 | R215 K219 | R215-L217 PolarHBondContact O-N 3.16Å; L217-K219 PolarHBondContact O-N 3.41Å | ||
| 218 | S | 45.5 | Very low | 56.2 | Low | 113 Ų | 113 | 128.5 Ų | 128.5 | 79% | 0.79 | 69% | 0.693 | S | S | * | * | trans | -65.4 | 81.1 | 174.9 | 50.1 | 0 | 0 | 0 | 0 | 109.2 | P216 Q220 | P216-S218 PolarHBondContact O-N 2.75Å; S218-Q220 PolarHBondContact O-N 3.27Å | ||
| 219 | K | 58 | Low | 58.4 | Low | 152 Ų | 152 | 120.5 Ų | 120.5 | 66% | 0.661 | 66% | 0.658 | S | S | * | * | trans | -53.3 | 106.7 | 172 | -68.5 | 176 | -176.7 | 172.7 | 0 | 106.9 | L217 V221 T234 | L217-K219 PolarHBondContact O-N 3.41Å; K219-V221 WeakPolarHBondContact O-CG2 3.45Å; K219-V221 PolarHBondContact O-N 3.07Å; K219-T234 HydrophobicContact CB-CG2 4.33Å; K219-T234 HydrophobicContact CD-CG2 4.35Å | ||
| 220 | Q | 70.6 | Confident | 60.6 | Low | 108 Ų | 108 | 115.6 Ų | 115.6 | 51% | 0.505 | 65% | 0.646 | S | S | . | * | trans | -57.7 | 110.9 | -175 | -174 | 170.8 | 23 | 0 | 0 | 108.8 | S218 L222 | S218-Q220 PolarHBondContact O-N 3.27Å; Q220-L222 HydrophobicContact CG-CD2 3.96Å; Q220-L222 HydrophobicContact CG-CG 4.21Å; Q220-L222 PolarHBondContact O-N 3.35Å; Q220-L222 VanDerWaalsContact O-N 3.13Å | ||
| 221 | V | 80.8 | Confident | 62.7 | Low | 104 Ų | 104 | 117.8 Ų | 117.8 | 63% | 0.63 | 64% | 0.641 | S | S | * | * | trans | -80.1 | 98.4 | -178.6 | -176 | 0 | 0 | 0 | 0 | 108 | K219 T232 | K219-V221 WeakPolarHBondContact O-CG2 3.45Å; K219-V221 PolarHBondContact O-N 3.07Å; V221-T232 HydrophobicContact CG1-CG2 3.8Å | ||
| 222 | L | 85.9 | Confident | 65.2 | Low | 21 Ų | 21 | 115.8 Ų | 115.8 | 11% | 0.11 | 63% | 0.626 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -89 | 107.3 | -177.5 | -60.1 | 156.2 | 0 | 0 | 0 | 108.6 | Q220 T232 F233 R236 L239 | Q220-L222 HydrophobicContact CG-CD2 3.96Å; Q220-L222 HydrophobicContact CG-CG 4.21Å; Q220-L222 PolarHBondContact O-N 3.35Å; Q220-L222 VanDerWaalsContact O-N 3.13Å; L222-T232 CarbonylContact O-C 3.53Å; L222-T232 WeakPolarHBondContact O-CA 3.33Å; L222-F233 WeakPolarHBondContact CB-O 3.43Å; L222-F233 PolarHBondContact N-O 3.25Å; L222-F233 PolarHBondContact O-N 2.59Å; L222-R236 HydrophobicContact CD1-CB 4.17Å; L222-R236 HydrophobicContact CD1-CG 3.52Å; L222-R236 VanDerWaalsContact CD1-N 3.3Å; L222-R236 HydrophobicContact CD2-CG 4.22Å; L222-L239 HydrophobicContact CB-CD2 3.83Å |
| 223 | R | 84.2 | Confident | 67.7 | Low | 186 Ų | 186 | 106.4 Ų | 106.4 | 70% | 0.702 | 59% | 0.592 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.2 | 145 | 177.1 | -168.9 | 177.3 | -77.3 | 176 | -3.9 | 110.7 | T232 | R223-T232 HydrophobicContact CB-CG2 4.28Å; R223-T232 HydrophobicContact CG-CG2 4.25Å |
| 224 | C | 85.3 | Confident | 70.1 | Confident | 8 Ų | 8 | 103.6 Ų | 103.6 | 5% | 0.054 | 57% | 0.573 | C | S | . | * | trans | -62.8 | 131.3 | 166.9 | -172.4 | 0 | 0 | 0 | 0 | 110 | F226 C229 R231 L239 H242 H246 | C224-F226 VanDerWaalsContact C-N 3.26Å; C224-F226 PolarHBondContact O-N 3.07Å; C224-C229 HydrophobicContact CB-CB 4.39Å; C224-R231 HydrophobicContact CB-CB 4.49Å; C224-R231 WeakPolarHBondContact CB-O 3.3Å; C224-R231 PolarHBondContact N-O 3.18Å; C224-L239 HydrophobicContact CB-CD1 4.28Å; C224-H242 PolarHBondContact SG-NE2 3.13Å; C224-H242 VanDerWaalsContact SG-NE2 3.36Å; C224-H246 PolarHBondContact SG-NE2 3.22Å | ||
| 225 | S | 82.4 | Confident | 72.3 | Confident | 108 Ų | 108 | 108 Ų | 108 | 76% | 0.755 | 57% | 0.567 | S | S | * | * | trans | -83 | 2.4 | 178.7 | 59.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 226 | F | 79.9 | Confident | 74.6 | Confident | 116 Ų | 116 | 105 Ų | 105 | 51% | 0.509 | 56% | 0.556 | S | S | . | * | S | Bend | trans | -87.8 | 127.4 | 178.9 | -161.6 | -93.6 | 0 | 0 | 0 | 110.2 | C224 C229 H246 | C224-F226 VanDerWaalsContact C-N 3.26Å; C224-F226 PolarHBondContact O-N 3.07Å; F226-C229 HydrophobicContact CB-CB 4.18Å; F226-C229 HydrophobicContact CD1-CB 4.46Å; F226-C229 WeakPolarHBondContact O-CB 3.34Å; F226-C229 PolarHBondContact O-N 2.99Å; F226-C229 VanDerWaalsContact O-N 3.14Å; F226-H246 VanDerWaalsContact CB-CD2 3.48Å; F226-H246 WeakPolarHBondContact CB-CD2 3.37Å; F226-H246 AromaticContact CD1-ND1 3.97Å; F226-H246 HydrophobicContact CD2-CB 3.97Å; F226-H246 HydrophobicContact CE2-CB 4.24Å; F226-H246 HydrophobicContact CG-CB 4.15Å; F226-H246 AromaticContact CG-CD2 3.8Å; F226-H246 AromaticContact CG-CG 3.79Å |
| 227 | E | 76.1 | Confident | 76.7 | Confident | 185 Ų | 185 | 102 Ų | 102 | 86% | 0.864 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 140.9 | -179.3 | -162.4 | 158.3 | -151.7 | 0 | 0 | 110.9 | C229 | E227-C229 PolarHBondContact O-N 2.67Å; E227-C229 VanDerWaalsContact O-N 3.13Å |
| 228 | G | 74.4 | Confident | 78.6 | Confident | 87 Ų | 87 | 99 Ų | 99 | 90% | 0.897 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | -9.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 229 | C | 81.4 | Confident | 80.5 | Confident | 30 Ų | 30 | 94.8 Ų | 94.8 | 20% | 0.203 | 49% | 0.491 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -40.6 | -177.8 | -175.3 | 0 | 0 | 0 | 0 | 114.5 | C224 F226 E227 R231 H242 H246 | C224-C229 HydrophobicContact CB-CB 4.39Å; F226-C229 HydrophobicContact CB-CB 4.18Å; F226-C229 HydrophobicContact CD1-CB 4.46Å; F226-C229 WeakPolarHBondContact O-CB 3.34Å; F226-C229 PolarHBondContact O-N 2.99Å; F226-C229 VanDerWaalsContact O-N 3.14Å; E227-C229 PolarHBondContact O-N 2.67Å; E227-C229 VanDerWaalsContact O-N 3.13Å; C229-R231 PolarHBondContact O-N 3.22Å; C229-H242 PolarHBondContact SG-CE1 2.67Å; C229-H242 PolarHBondContact SG-NE2 2.25Å; C229-H246 PolarHBondContact SG-CE1 3.18Å; C229-H246 PolarHBondContact SG-NE2 2.8Å |
| 230 | G | 79.4 | Confident | 81.7 | Confident | 56 Ų | 56 | 94.7 Ų | 94.7 | 58% | 0.577 | 49% | 0.491 | S | S | * | . | trans | 64.3 | -13.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 231 | R | 79.6 | Confident | 81.8 | Confident | 152 Ų | 152 | 95 Ų | 95 | 57% | 0.574 | 49% | 0.488 | S | S | * | . | trans | -63.1 | 140.3 | -172.1 | -73.2 | -177.9 | 173.9 | 168.9 | 1.8 | 113.4 | C224 C229 F233 | C224-R231 HydrophobicContact CB-CB 4.49Å; C224-R231 WeakPolarHBondContact CB-O 3.3Å; C224-R231 PolarHBondContact N-O 3.18Å; C229-R231 PolarHBondContact O-N 3.22Å; R231-F233 HydrophobicContact CB-CE2 3.66Å; R231-F233 HydrophobicContact CB-CZ 3.85Å | ||
| 232 | T | 86.6 | Confident | 81.8 | Confident | 80 Ų | 80 | 90.6 Ų | 90.6 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 147.4 | 178.1 | 52.6 | 0 | 0 | 0 | 0 | 111.8 | V221 L222 R223 | V221-T232 HydrophobicContact CG1-CG2 3.8Å; L222-T232 CarbonylContact O-C 3.53Å; L222-T232 WeakPolarHBondContact O-CA 3.33Å; R223-T232 HydrophobicContact CB-CG2 4.28Å; R223-T232 HydrophobicContact CG-CG2 4.25Å |
| 233 | F | 85 | Confident | 81.5 | Confident | 40 Ų | 40 | 92.5 Ų | 92.5 | 18% | 0.175 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 141.3 | -175 | -59.4 | -88.6 | 0 | 0 | 0 | 110.5 | L222 R231 H238 L239 H242 | L222-F233 WeakPolarHBondContact CB-O 3.43Å; L222-F233 PolarHBondContact N-O 3.25Å; L222-F233 PolarHBondContact O-N 2.59Å; R231-F233 HydrophobicContact CB-CE2 3.66Å; R231-F233 HydrophobicContact CB-CZ 3.85Å; F233-H238 HydrophobicContact CB-CB 4.46Å; F233-H238 HydrophobicContact CD1-CB 3.77Å; F233-H238 HydrophobicContact CG-CB 4.45Å; F233-L239 HydrophobicContact CB-CB 4.11Å; F233-L239 HydrophobicContact CD2-CB 3.98Å; F233-L239 HydrophobicContact CD2-CD1 3.8Å; F233-L239 HydrophobicContact CD2-CG 4.45Å; F233-L239 HydrophobicContact CE2-CD1 4.07Å; F233-L239 HydrophobicContact CG-CB 4.08Å; F233-H242 HydrophobicContact CE1-CB 3.89Å; F233-H242 HydrophobicContact CE2-CB 4.04Å; F233-H242 AromaticContact CE2-CD2 3.19Å; F233-H242 WeakPolarHBondContact CE2-CD2 3.46Å; F233-H242 AromaticContact CE2-CG 3.79Å; F233-H242 HydrophobicContact CZ-CB 3.46Å; F233-H242 VanDerWaalsContact CZ-CB 3.46Å; F233-H242 AromaticContact CZ-CD2 3.21Å; F233-H242 WeakPolarHBondContact CZ-CD2 3.31Å; F233-H242 AromaticContact CZ-CG 3.33Å |
| 234 | T | 86.8 | Confident | 81.1 | Confident | 66 Ų | 66 | 87.3 Ų | 87.3 | 41% | 0.405 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -81.9 | -16.1 | 174.7 | 49.4 | 0 | 0 | 0 | 0 | 113.5 | K219 | K219-T234 HydrophobicContact CB-CG2 4.33Å; K219-T234 HydrophobicContact CD-CG2 4.35Å |
| 235 | W | 81.9 | Confident | 80.4 | Confident | 163 Ų | 163 | 89 Ų | 89 | 62% | 0.617 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -132.1 | 135 | -174.7 | -62.9 | -46.2 | 0 | 0 | 0 | 112 | A237 H238 L239 | W235-A237 PolarHBondContact O-N 3.06Å; W235-H238 AromaticContact CE3-CE1 3.44Å; W235-H238 VanDerWaalsContact CE3-CE1 3.44Å; W235-H238 AromaticContact CE3-ND1 3.63Å; W235-H238 AromaticContact CE3-NE2 3.93Å; W235-H238 AromaticContact CZ3-CE1 3.66Å; W235-H238 PolarHBondContact O-N 3.17Å; W235-H238 VanDerWaalsContact O-N 3.1Å; W235-L239 PolarHBondContact O-N 2.91Å |
| 236 | R | 83.7 | Confident | 80.1 | Confident | 161 Ų | 161 | 86.6 Ų | 86.6 | 61% | 0.608 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -57.3 | -36.1 | 178.3 | -79 | -172.8 | 164.7 | 74.2 | 6.2 | 112.7 | L222 L239 K240 | L222-R236 HydrophobicContact CD1-CB 4.17Å; L222-R236 HydrophobicContact CD1-CG 3.52Å; L222-R236 VanDerWaalsContact CD1-N 3.3Å; L222-R236 HydrophobicContact CD2-CG 4.22Å; R236-L239 PolarHBondContact O-N 3.33Å; R236-K240 WeakPolarHBondContact O-CB 3.34Å; R236-K240 PolarHBondContact O-N 2.96Å |
| 237 | A | 81.6 | Confident | 79.6 | Confident | 51 Ų | 51 | 90 Ų | 90 | 42% | 0.421 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W235 L239 K240 Y241 | W235-A237 PolarHBondContact O-N 3.06Å; A237-L239 PolarHBondContact O-N 3.48Å; A237-K240 WeakPolarHBondContact O-CB 3.47Å; A237-K240 PolarHBondContact O-N 3.27Å; A237-K240 VanDerWaalsContact O-N 3.14Å; A237-Y241 HydrophobicContact CB-CE2 4.29Å; A237-Y241 WeakPolarHBondContact O-CD2 3.43Å; A237-Y241 PolarHBondContact O-N 3.19Å |
| 238 | H | 82.3 | Confident | 79.1 | Confident | 92 Ų | 92 | 86.4 Ų | 86.4 | 43% | 0.426 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65 | -41.2 | -179.6 | -72 | -167.7 | 0 | 0 | 0 | 112.5 | F233 W235 K240 Y241 H242 | F233-H238 HydrophobicContact CB-CB 4.46Å; F233-H238 HydrophobicContact CD1-CB 3.77Å; F233-H238 HydrophobicContact CG-CB 4.45Å; W235-H238 AromaticContact CE3-CE1 3.44Å; W235-H238 VanDerWaalsContact CE3-CE1 3.44Å; W235-H238 AromaticContact CE3-ND1 3.63Å; W235-H238 AromaticContact CE3-NE2 3.93Å; W235-H238 AromaticContact CZ3-CE1 3.66Å; W235-H238 PolarHBondContact O-N 3.17Å; W235-H238 VanDerWaalsContact O-N 3.1Å; H238-K240 VanDerWaalsContact C-N 3.35Å; H238-K240 PolarHBondContact O-N 3.07Å; H238-Y241 PolarHBondContact O-N 2.9Å; H238-H242 WeakPolarHBondContact O-CB 3.29Å; H238-H242 PolarHBondContact O-N 3.42Å |
| 239 | L | 84.6 | Confident | 78.5 | Confident | 24 Ų | 24 | 85.2 Ų | 85.2 | 13% | 0.126 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 171.3 | 175 | 58.6 | 0 | 0 | 0 | 111.2 | L222 C224 F233 W235 R236 A237 Y241 H242 L243 | L222-L239 HydrophobicContact CB-CD2 3.83Å; C224-L239 HydrophobicContact CB-CD1 4.28Å; F233-L239 HydrophobicContact CB-CB 4.11Å; F233-L239 HydrophobicContact CD2-CB 3.98Å; F233-L239 HydrophobicContact CD2-CD1 3.8Å; F233-L239 HydrophobicContact CD2-CG 4.45Å; F233-L239 HydrophobicContact CE2-CD1 4.07Å; F233-L239 HydrophobicContact CG-CB 4.08Å; W235-L239 PolarHBondContact O-N 2.91Å; R236-L239 PolarHBondContact O-N 3.33Å; A237-L239 PolarHBondContact O-N 3.48Å; L239-Y241 VanDerWaalsContact C-N 3.33Å; L239-Y241 PolarHBondContact O-N 3.49Å; L239-H242 CarbonylContact O-C 3.21Å; L239-H242 PolarHBondContact O-N 2.94Å; L239-H242 VanDerWaalsContact O-N 3.13Å; L239-L243 HydrophobicContact CD1-CD1 4.06Å; L239-L243 HydrophobicContact CD1-CD2 4.23Å; L239-L243 HydrophobicContact CD1-CG 3.84Å; L239-L243 HydrophobicContact CG-CD1 4Å; L239-L243 HydrophobicContact CG-CG 4.27Å; L239-L243 WeakPolarHBondContact O-CG 3.23Å; L239-L243 PolarHBondContact O-N 2.84Å |
| 240 | K | 82.5 | Confident | 77.5 | Confident | 150 Ų | 150 | 92.9 Ų | 92.9 | 65% | 0.652 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.1 | -36.2 | 178.2 | -171.7 | 176.7 | -176.1 | 176.8 | 0 | 112.9 | R236 A237 H238 | R236-K240 WeakPolarHBondContact O-CB 3.34Å; R236-K240 PolarHBondContact O-N 2.96Å; A237-K240 WeakPolarHBondContact O-CB 3.47Å; A237-K240 PolarHBondContact O-N 3.27Å; A237-K240 VanDerWaalsContact O-N 3.14Å; H238-K240 VanDerWaalsContact C-N 3.35Å; H238-K240 PolarHBondContact O-N 3.07Å |
| 241 | Y | 74.2 | Confident | 77.5 | Confident | 115 Ų | 115 | 92.4 Ų | 92.4 | 45% | 0.451 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.4 | -38.8 | 172 | -69 | -65.9 | 0 | 0 | 0 | 112.2 | A237 H238 L239 K244 | A237-Y241 HydrophobicContact CB-CE2 4.29Å; A237-Y241 WeakPolarHBondContact O-CD2 3.43Å; A237-Y241 PolarHBondContact O-N 3.19Å; H238-Y241 PolarHBondContact O-N 2.9Å; L239-Y241 VanDerWaalsContact C-N 3.33Å; L239-Y241 PolarHBondContact O-N 3.49Å; Y241-K244 WeakPolarHBondContact O-CB 3.39Å; Y241-K244 PolarHBondContact O-N 2.87Å |
| 242 | H | 80.8 | Confident | 77.6 | Confident | 11 Ų | 11 | 89.3 Ų | 89.3 | 5% | 0.051 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 177.1 | 170.7 | 45.9 | 0 | 0 | 0 | 113.1 | C224 C229 F233 H238 L239 K244 T245 H246 | C224-H242 PolarHBondContact SG-NE2 3.13Å; C224-H242 VanDerWaalsContact SG-NE2 3.36Å; C229-H242 PolarHBondContact SG-CE1 2.67Å; C229-H242 PolarHBondContact SG-NE2 2.25Å; F233-H242 HydrophobicContact CE1-CB 3.89Å; F233-H242 HydrophobicContact CE2-CB 4.04Å; F233-H242 AromaticContact CE2-CD2 3.19Å; F233-H242 WeakPolarHBondContact CE2-CD2 3.46Å; F233-H242 AromaticContact CE2-CG 3.79Å; F233-H242 HydrophobicContact CZ-CB 3.46Å; F233-H242 VanDerWaalsContact CZ-CB 3.46Å; F233-H242 AromaticContact CZ-CD2 3.21Å; F233-H242 WeakPolarHBondContact CZ-CD2 3.31Å; F233-H242 AromaticContact CZ-CG 3.33Å; H238-H242 WeakPolarHBondContact O-CB 3.29Å; H238-H242 PolarHBondContact O-N 3.42Å; L239-H242 CarbonylContact O-C 3.21Å; L239-H242 PolarHBondContact O-N 2.94Å; L239-H242 VanDerWaalsContact O-N 3.13Å; H242-K244 PolarHBondContact O-N 2.81Å; H242-K244 VanDerWaalsContact O-N 3.16Å; H242-T245 PolarHBondContact ND1-OG1 3.46Å; H242-T245 WeakPolarHBondContact O-CA 3.29Å; H242-T245 WeakPolarHBondContact O-CB 3.28Å; H242-T245 PolarHBondContact O-N 3.38Å; H242-T245 PolarHBondContact O-OG1 3.23Å; H242-H246 AromaticContact CE1-CE1 3.62Å; H242-H246 AromaticContact CE1-NE2 3.2Å; H242-H246 PolarHBondContact CE1-NE2 3.45Å; H242-H246 AromaticContact NE2-CE1 4Å; H242-H246 AromaticContact NE2-NE2 3.21Å; H242-H246 PolarHBondContact NE2-NE2 3.26Å |
| 243 | L | 78.6 | Confident | 77.4 | Confident | 62 Ų | 62 | 91.9 Ų | 91.9 | 33% | 0.325 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.1 | -26.5 | 177.2 | -71.3 | 169.7 | 0 | 0 | 0 | 112.6 | L239 T245 H246 | L239-L243 HydrophobicContact CD1-CD1 4.06Å; L239-L243 HydrophobicContact CD1-CD2 4.23Å; L239-L243 HydrophobicContact CD1-CG 3.84Å; L239-L243 HydrophobicContact CG-CD1 4Å; L239-L243 HydrophobicContact CG-CG 4.27Å; L239-L243 WeakPolarHBondContact O-CG 3.23Å; L239-L243 PolarHBondContact O-N 2.84Å; L243-T245 PolarHBondContact O-N 2.93Å; L243-H246 PolarHBondContact O-N 3.25Å |
| 244 | K | 75.8 | Confident | 77.5 | Confident | 77 Ų | 77 | 90.2 Ų | 90.2 | 34% | 0.335 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.2 | -22.6 | 170.2 | -60.5 | 176.5 | 180 | -178.2 | 0 | 113 | Y241 H242 H246 N248 | Y241-K244 WeakPolarHBondContact O-CB 3.39Å; Y241-K244 PolarHBondContact O-N 2.87Å; H242-K244 PolarHBondContact O-N 2.81Å; H242-K244 VanDerWaalsContact O-N 3.16Å; K244-H246 VanDerWaalsContact C-N 3.3Å; K244-H246 PolarHBondContact O-N 3.09Å; K244-N248 PolarHBondContact O-N 2.88Å |
| 245 | T | 71.8 | Confident | 77.4 | Confident | 42 Ų | 42 | 92 Ų | 92 | 26% | 0.258 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73.9 | -20.8 | 177.9 | 73 | 0 | 0 | 0 | 0 | 113.7 | H242 L243 M251 | H242-T245 PolarHBondContact ND1-OG1 3.46Å; H242-T245 WeakPolarHBondContact O-CA 3.29Å; H242-T245 WeakPolarHBondContact O-CB 3.28Å; H242-T245 PolarHBondContact O-N 3.38Å; H242-T245 PolarHBondContact O-OG1 3.23Å; L243-T245 PolarHBondContact O-N 2.93Å; T245-M251 VanDerWaalsContact CA-CE 3.47Å; T245-M251 HydrophobicContact CG2-CE 4.36Å; T245-M251 WeakPolarHBondContact O-CE 3.48Å |
| 246 | H | 74.9 | Confident | 77.6 | Confident | 59 Ų | 59 | 85.3 Ų | 85.3 | 27% | 0.273 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -86.3 | -30.8 | 174.7 | -62.1 | -47.6 | 0 | 0 | 0 | 112.5 | C224 F226 C229 H242 L243 K244 | C224-H246 PolarHBondContact SG-NE2 3.22Å; F226-H246 VanDerWaalsContact CB-CD2 3.48Å; F226-H246 WeakPolarHBondContact CB-CD2 3.37Å; F226-H246 AromaticContact CD1-ND1 3.97Å; F226-H246 HydrophobicContact CD2-CB 3.97Å; F226-H246 HydrophobicContact CE2-CB 4.24Å; F226-H246 HydrophobicContact CG-CB 4.15Å; F226-H246 AromaticContact CG-CD2 3.8Å; F226-H246 AromaticContact CG-CG 3.79Å; C229-H246 PolarHBondContact SG-CE1 3.18Å; C229-H246 PolarHBondContact SG-NE2 2.8Å; H242-H246 AromaticContact CE1-CE1 3.62Å; H242-H246 AromaticContact CE1-NE2 3.2Å; H242-H246 PolarHBondContact CE1-NE2 3.45Å; H242-H246 AromaticContact NE2-CE1 4Å; H242-H246 AromaticContact NE2-NE2 3.21Å; H242-H246 PolarHBondContact NE2-NE2 3.26Å; L243-H246 PolarHBondContact O-N 3.25Å; K244-H246 VanDerWaalsContact C-N 3.3Å; K244-H246 PolarHBondContact O-N 3.09Å |
| 247 | R | 69.3 | Low | 77.5 | Confident | 188 Ų | 188 | 86.5 Ų | 86.5 | 71% | 0.709 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -82.7 | -18.9 | -175.9 | -160.1 | 175.8 | 151.8 | 128.3 | -1.8 | 113.2 | D249 | R247-D249 HydrophobicContact CB-CB 4.22Å; R247-D249 HydrophobicContact CG-CB 3.71Å; R247-D249 IonicContact CZ-OD2 2.67Å; R247-D249 IonicContact NE-OD2 3.31Å; R247-D249 PolarHBondContact NE-OD2 3.13Å; R247-D249 IonicContact NH2-OD2 2.8Å; R247-D249 PolarHBondContact NH2-OD2 3.25Å; R247-D249 PolarHBondContact O-N 3.16Å |
| 248 | N | 65.8 | Low | 77.5 | Confident | 108 Ų | 108 | 88.3 Ų | 88.3 | 58% | 0.578 | 44% | 0.438 | S | S | * | . | trans | 55 | -20.5 | -168.7 | -75 | -19.2 | 0 | 0 | 0 | 116.5 | K244 R250 M251 | K244-N248 PolarHBondContact O-N 2.88Å; N248-R250 PolarHBondContact O-N 3.14Å; N248-R250 VanDerWaalsContact O-N 3.08Å; N248-M251 PolarHBondContact O-N 2.81Å; N248-M251 VanDerWaalsContact O-N 3.12Å; N248-M251 WeakPolarHBondContact OD1-CE 3.45Å | ||
| 249 | D | 61.2 | Low | 77.7 | Confident | 62 Ų | 62 | 84.8 Ų | 84.8 | 33% | 0.332 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 106.4 | 170.8 | -170 | -7.8 | 0 | 0 | 0 | 110.6 | R247 | R247-D249 HydrophobicContact CB-CB 4.22Å; R247-D249 HydrophobicContact CG-CB 3.71Å; R247-D249 IonicContact CZ-OD2 2.67Å; R247-D249 IonicContact NE-OD2 3.31Å; R247-D249 PolarHBondContact NE-OD2 3.13Å; R247-D249 IonicContact NH2-OD2 2.8Å; R247-D249 PolarHBondContact NH2-OD2 3.25Å; R247-D249 PolarHBondContact O-N 3.16Å |
| 250 | R | 61.8 | Low | 77.5 | Confident | 192 Ų | 192 | 86.5 Ų | 86.5 | 73% | 0.725 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 35.5 | -178.5 | -45.1 | 167.7 | -159.8 | -160.6 | 0.6 | 116.5 | N248 | N248-R250 PolarHBondContact O-N 3.14Å; N248-R250 VanDerWaalsContact O-N 3.08Å |
| 251 | M | 78.2 | Confident | 77.4 | Confident | 45 Ų | 45 | 84.8 Ų | 84.8 | 22% | 0.222 | 44% | 0.439 | C | S | . | . | trans | -81.6 | 142.4 | 155.1 | -63.3 | -169 | -175.1 | 0 | 0 | 111.7 | T245 N248 S262 | T245-M251 VanDerWaalsContact CA-CE 3.47Å; T245-M251 HydrophobicContact CG2-CE 4.36Å; T245-M251 WeakPolarHBondContact O-CE 3.48Å; N248-M251 PolarHBondContact O-N 2.81Å; N248-M251 VanDerWaalsContact O-N 3.12Å; N248-M251 WeakPolarHBondContact OD1-CE 3.45Å; M251-S262 PolarHBondContact SD-OG 3.47Å | ||
| 252 | F | 81.8 | Confident | 77.8 | Confident | 87 Ų | 87 | 82 Ų | 82 | 38% | 0.382 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 108.8 | 169.3 | -58.4 | -85.8 | 0 | 0 | 0 | 109 | S262 F263 L266 L269 | F252-S262 WeakPolarHBondContact O-CA 3.34Å; F252-F263 WeakPolarHBondContact CD2-O 3.43Å; F252-F263 PolarHBondContact N-O 2.85Å; F252-F263 PolarHBondContact O-N 3.32Å; F252-L266 HydrophobicContact CD1-CB 4.14Å; F252-L266 HydrophobicContact CD1-CD1 3.83Å; F252-L266 HydrophobicContact CD2-CB 4.18Å; F252-L266 VanDerWaalsContact CD2-N 3.29Å; F252-L266 HydrophobicContact CE1-CB 3.96Å; F252-L266 HydrophobicContact CE1-CD1 4.18Å; F252-L266 HydrophobicContact CE1-CG 4.47Å; F252-L266 HydrophobicContact CE2-CB 4.02Å; F252-L266 HydrophobicContact CG-CB 4.25Å; F252-L266 HydrophobicContact CG-CD1 4.3Å; F252-L266 HydrophobicContact CZ-CB 3.9Å; F252-L269 HydrophobicContact CB-CB 4.12Å; F252-L269 HydrophobicContact CB-CD2 3.7Å |
| 253 | Q | 82.6 | Confident | 77.9 | Confident | 134 Ų | 134 | 83.6 Ų | 83.6 | 63% | 0.626 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 145.7 | 178.8 | -169.6 | 172.4 | -4.8 | 0 | 0 | 111.4 | S255 L269 | Q253-S255 PolarHBondContact O-N 3.49Å; Q253-L269 WeakPolarHBondContact O-CD2 3.29Å |
| 254 | C | 88.4 | Confident | 77.9 | Confident | 5 Ų | 5 | 84.4 Ų | 84.4 | 3% | 0.034 | 44% | 0.443 | C | S | . | . | trans | -72.1 | 121.6 | 168.4 | -175.1 | 0 | 0 | 0 | 0 | 109.9 | A256 C259 K261 L269 H272 M273 H276 | C254-A256 VanDerWaalsContact C-N 3.25Å; C254-A256 PolarHBondContact O-N 3.33Å; C254-A256 VanDerWaalsContact SG-CB 3.58Å; C254-C259 HydrophobicContact CB-CB 4.33Å; C254-K261 WeakPolarHBondContact CB-O 3.4Å; C254-K261 PolarHBondContact N-O 3.31Å; C254-L269 HydrophobicContact CB-CD1 3.94Å; C254-H272 PolarHBondContact SG-NE2 3.48Å; C254-H272 VanDerWaalsContact SG-NE2 3.45Å; C254-M273 PolarHBondContact SG-SD 3.18Å; C254-H276 PolarHBondContact SG-NE2 3.2Å | ||
| 255 | S | 83.9 | Confident | 78.2 | Confident | 103 Ų | 103 | 83.1 Ų | 83.1 | 72% | 0.72 | 44% | 0.442 | S | S | * | . | trans | -81.3 | 2.7 | 176.8 | 55 | 0 | 0 | 0 | 0 | 114 | Q253 | Q253-S255 PolarHBondContact O-N 3.49Š| ||
| 256 | A | 85.4 | Confident | 78.7 | Confident | 24 Ų | 24 | 85 Ų | 85 | 20% | 0.198 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -76 | 127.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | C254 G258 C259 | C254-A256 VanDerWaalsContact C-N 3.25Å; C254-A256 PolarHBondContact O-N 3.33Å; C254-A256 VanDerWaalsContact SG-CB 3.58Å; A256-G258 PolarHBondContact O-N 3.46Å; A256-C259 HydrophobicContact CB-CB 4.11Å; A256-C259 WeakPolarHBondContact O-CB 3.34Å; A256-C259 PolarHBondContact O-N 2.89Å |
| 257 | E | 81.8 | Confident | 79.3 | Confident | 186 Ų | 186 | 88.7 Ų | 88.7 | 87% | 0.869 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 135.6 | 178.1 | -68.8 | -60.2 | 159.6 | 0 | 0 | 112 | C259 | E257-C259 PolarHBondContact O-N 3.46Å; E257-C259 VanDerWaalsContact O-N 3.14Å |
| 258 | G | 81.3 | Confident | 80.1 | Confident | 88 Ų | 88 | 86.1 Ų | 86.1 | 91% | 0.907 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 0.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | A256 | A256-G258 PolarHBondContact O-N 3.46Š|
| 259 | C | 86.8 | Confident | 81.2 | Confident | 18 Ų | 18 | 81.9 Ų | 81.9 | 12% | 0.122 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -45.9 | -177.5 | -167.9 | 0 | 0 | 0 | 0 | 114.3 | C254 A256 E257 K261 H272 H276 | C254-C259 HydrophobicContact CB-CB 4.33Å; A256-C259 HydrophobicContact CB-CB 4.11Å; A256-C259 WeakPolarHBondContact O-CB 3.34Å; A256-C259 PolarHBondContact O-N 2.89Å; E257-C259 PolarHBondContact O-N 3.46Å; E257-C259 VanDerWaalsContact O-N 3.14Å; C259-K261 PolarHBondContact O-N 2.78Å; C259-H272 PolarHBondContact SG-NE2 3.29Å; C259-H276 WeakPolarHBondContact CB-CE1 3.21Å; C259-H276 WeakPolarHBondContact CB-NE2 3.27Å; C259-H276 PolarHBondContact SG-CE1 3.13Å; C259-H276 PolarHBondContact SG-NE2 3.26Å |
| 260 | G | 80.1 | Confident | 82.5 | Confident | 60 Ų | 60 | 84 Ų | 84 | 62% | 0.619 | 44% | 0.443 | S | S | * | . | trans | 63.8 | -5.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 261 | K | 81.8 | Confident | 83.8 | Confident | 114 Ų | 114 | 77 Ų | 77 | 50% | 0.496 | 42% | 0.421 | S | S | . | . | trans | -74.3 | 145.4 | -174.1 | -69.9 | 170.6 | -168.5 | 166.9 | 0 | 112.5 | C254 C259 F263 | C254-K261 WeakPolarHBondContact CB-O 3.4Å; C254-K261 PolarHBondContact N-O 3.31Å; C259-K261 PolarHBondContact O-N 2.78Å; K261-F263 HydrophobicContact CB-CE2 3.81Å; K261-F263 HydrophobicContact CB-CZ 4.07Å | ||
| 262 | S | 82.3 | Confident | 84.3 | Confident | 58 Ų | 58 | 75.6 Ų | 75.6 | 41% | 0.406 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 148.3 | 179.3 | 59.2 | 0 | 0 | 0 | 0 | 112 | M251 F252 | M251-S262 PolarHBondContact SD-OG 3.47Å; F252-S262 WeakPolarHBondContact O-CA 3.34Å |
| 263 | F | 83.3 | Confident | 84.7 | Confident | 44 Ų | 44 | 74 Ų | 74 | 19% | 0.193 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 133.9 | -171.7 | -59.9 | -92.3 | 0 | 0 | 0 | 110.7 | F252 K261 V265 R268 L269 H272 | F252-F263 WeakPolarHBondContact CD2-O 3.43Å; F252-F263 PolarHBondContact N-O 2.85Å; F252-F263 PolarHBondContact O-N 3.32Å; K261-F263 HydrophobicContact CB-CE2 3.81Å; K261-F263 HydrophobicContact CB-CZ 4.07Å; F263-V265 PolarHBondContact O-N 3.22Å; F263-R268 HydrophobicContact CB-CB 4.19Å; F263-R268 HydrophobicContact CD1-CB 3.82Å; F263-R268 HydrophobicContact CG-CB 4.29Å; F263-L269 HydrophobicContact CB-CB 4.22Å; F263-L269 HydrophobicContact CD2-CB 3.97Å; F263-L269 HydrophobicContact CD2-CD1 3.91Å; F263-L269 HydrophobicContact CE2-CD1 4.16Å; F263-L269 HydrophobicContact CG-CB 4.25Å; F263-H272 HydrophobicContact CE1-CB 3.97Å; F263-H272 HydrophobicContact CE2-CB 3.87Å; F263-H272 AromaticContact CE2-CD2 3.18Å; F263-H272 WeakPolarHBondContact CE2-CD2 3.44Å; F263-H272 AromaticContact CE2-CG 3.67Å; F263-H272 HydrophobicContact CZ-CB 3.45Å; F263-H272 VanDerWaalsContact CZ-CB 3.45Å; F263-H272 AromaticContact CZ-CD2 3.35Å; F263-H272 WeakPolarHBondContact CZ-CD2 3.3Å; F263-H272 AromaticContact CZ-CG 3.34Å |
| 264 | Y | 77.3 | Confident | 85.1 | Confident | 79 Ų | 79 | 70.3 Ų | 70.3 | 31% | 0.31 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -76.5 | 1.1 | 178.7 | 70.1 | -83.6 | 0 | 0 | 0 | 114.4 | R268 | Y264-R268 PolarHBondContact OH-NH1 3.26Å; Y264-R268 PolarHBondContact OH-NH2 2.82Å |
| 265 | V | 81.7 | Confident | 85.2 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 30% | 0.303 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -142.4 | 131.3 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 110 | F263 Q267 R268 L269 | F263-V265 PolarHBondContact O-N 3.22Å; V265-Q267 HydrophobicContact CG1-CB 4.01Å; V265-Q267 PolarHBondContact O-N 3.33Å; V265-R268 HydrophobicContact CB-CG 4.32Å; V265-R268 WeakPolarHBondContact O-CB 3.22Å; V265-R268 PolarHBondContact O-N 3.18Å; V265-L269 PolarHBondContact O-N 2.83Å |
| 266 | L | 83.8 | Confident | 85.4 | Confident | 81 Ų | 81 | 73.7 Ų | 73.7 | 42% | 0.424 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -57.6 | -42.2 | -179.2 | -179 | 60.7 | 0 | 0 | 0 | 113.1 | F252 R268 L269 Q270 | F252-L266 HydrophobicContact CD1-CB 4.14Å; F252-L266 HydrophobicContact CD1-CD1 3.83Å; F252-L266 HydrophobicContact CD2-CB 4.18Å; F252-L266 VanDerWaalsContact CD2-N 3.29Å; F252-L266 HydrophobicContact CE1-CB 3.96Å; F252-L266 HydrophobicContact CE1-CD1 4.18Å; F252-L266 HydrophobicContact CE1-CG 4.47Å; F252-L266 HydrophobicContact CE2-CB 4.02Å; F252-L266 HydrophobicContact CG-CB 4.25Å; F252-L266 HydrophobicContact CG-CD1 4.3Å; F252-L266 HydrophobicContact CZ-CB 3.9Å; L266-R268 PolarHBondContact O-N 3.27Å; L266-L269 HydrophobicContact CD1-CD2 4.4Å; L266-L269 CarbonylContact O-C 3.58Å; L266-L269 WeakPolarHBondContact O-CA 3.46Å; L266-L269 WeakPolarHBondContact O-CB 3.48Å; L266-L269 PolarHBondContact O-N 3.11Å; L266-Q270 HydrophobicContact CG-CG 4.49Å; L266-Q270 PolarHBondContact O-N 3.08Å |
| 267 | Q | 86.7 | Confident | 85.5 | Confident | 137 Ų | 137 | 76.6 Ų | 76.6 | 64% | 0.64 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -56.7 | -35.4 | 175.5 | -168.1 | -164.5 | 31 | 0 | 0 | 112.4 | V265 Q270 V271 | V265-Q267 HydrophobicContact CG1-CB 4.01Å; V265-Q267 PolarHBondContact O-N 3.33Å; Q267-Q270 PolarHBondContact O-N 3.1Å; Q267-V271 VanDerWaalsContact O-CG2 3.32Å; Q267-V271 WeakPolarHBondContact O-CG2 3.45Å; Q267-V271 PolarHBondContact O-N 3.34Å |
| 268 | R | 86.3 | Confident | 85.8 | Confident | 133 Ų | 133 | 69.9 Ų | 69.9 | 50% | 0.502 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -72.4 | -37.2 | 176.1 | -69.2 | -171.5 | 174.6 | -158.2 | 1 | 111.8 | F263 Y264 V265 L266 H272 | F263-R268 HydrophobicContact CB-CB 4.19Å; F263-R268 HydrophobicContact CD1-CB 3.82Å; F263-R268 HydrophobicContact CG-CB 4.29Å; Y264-R268 PolarHBondContact OH-NH1 3.26Å; Y264-R268 PolarHBondContact OH-NH2 2.82Å; V265-R268 HydrophobicContact CB-CG 4.32Å; V265-R268 WeakPolarHBondContact O-CB 3.22Å; V265-R268 PolarHBondContact O-N 3.18Å; L266-R268 PolarHBondContact O-N 3.27Å; R268-H272 WeakPolarHBondContact O-CB 3.33Å; R268-H272 PolarHBondContact O-N 3.34Å |
| 269 | L | 88.7 | Confident | 86.2 | Confident | 20 Ų | 20 | 70.5 Ų | 70.5 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.2 | -48.8 | 169.3 | 172.6 | 60.4 | 0 | 0 | 0 | 110.7 | F252 Q253 C254 F263 V265 L266 V271 H272 M273 | F252-L269 HydrophobicContact CB-CB 4.12Å; F252-L269 HydrophobicContact CB-CD2 3.7Å; Q253-L269 WeakPolarHBondContact O-CD2 3.29Å; C254-L269 HydrophobicContact CB-CD1 3.94Å; F263-L269 HydrophobicContact CB-CB 4.22Å; F263-L269 HydrophobicContact CD2-CB 3.97Å; F263-L269 HydrophobicContact CD2-CD1 3.91Å; F263-L269 HydrophobicContact CE2-CD1 4.16Å; F263-L269 HydrophobicContact CG-CB 4.25Å; V265-L269 PolarHBondContact O-N 2.83Å; L266-L269 HydrophobicContact CD1-CD2 4.4Å; L266-L269 CarbonylContact O-C 3.58Å; L266-L269 WeakPolarHBondContact O-CA 3.46Å; L266-L269 WeakPolarHBondContact O-CB 3.48Å; L266-L269 PolarHBondContact O-N 3.11Å; L269-V271 PolarHBondContact O-N 2.97Å; L269-H272 CarbonylContact O-C 3.46Å; L269-H272 WeakPolarHBondContact O-CA 3.42Å; L269-H272 WeakPolarHBondContact O-CB 3.41Å; L269-H272 PolarHBondContact O-N 3.4Å; L269-M273 HydrophobicContact CD1-CG 4.11Å; L269-M273 HydrophobicContact CD1-SD 3.9Å; L269-M273 HydrophobicContact CG-CG 4.34Å; L269-M273 WeakPolarHBondContact O-CG 3.35Å; L269-M273 PolarHBondContact O-N 3.45Å |
| 270 | Q | 88.2 | Confident | 86.4 | Confident | 107 Ų | 107 | 75 Ų | 75 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -57.7 | -45 | 178.2 | -71.7 | 174.6 | -29.2 | 0 | 0 | 112.4 | L266 Q267 H272 M273 R274 | L266-Q270 HydrophobicContact CG-CG 4.49Å; L266-Q270 PolarHBondContact O-N 3.08Å; Q267-Q270 PolarHBondContact O-N 3.1Å; Q270-H272 VanDerWaalsContact C-N 3.27Å; Q270-H272 PolarHBondContact O-N 3.45Å; Q270-M273 PolarHBondContact O-N 3.21Å; Q270-R274 PolarHBondContact O-N 3.3Å |
| 271 | V | 89.2 | Confident | 86.9 | Confident | 43 Ų | 43 | 75.7 Ų | 75.7 | 26% | 0.261 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.1 | -32.5 | 174 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | Q267 L269 R274 T295 | Q267-V271 VanDerWaalsContact O-CG2 3.32Å; Q267-V271 WeakPolarHBondContact O-CG2 3.45Å; Q267-V271 PolarHBondContact O-N 3.34Å; L269-V271 PolarHBondContact O-N 2.97Å; V271-R274 WeakPolarHBondContact O-CB 3.19Å; V271-T295 HydrophobicContact CG1-CG2 3.55Å |
| 272 | H | 90 | Very high | 87.4 | Confident | 17 Ų | 17 | 73.4 Ų | 73.4 | 8% | 0.079 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.3 | -37 | 172.5 | 169.7 | 45.9 | 0 | 0 | 0 | 112.8 | C254 C259 F263 R268 L269 Q270 R274 T275 H276 | C254-H272 PolarHBondContact SG-NE2 3.48Å; C254-H272 VanDerWaalsContact SG-NE2 3.45Å; C259-H272 PolarHBondContact SG-NE2 3.29Å; F263-H272 HydrophobicContact CE1-CB 3.97Å; F263-H272 HydrophobicContact CE2-CB 3.87Å; F263-H272 AromaticContact CE2-CD2 3.18Å; F263-H272 WeakPolarHBondContact CE2-CD2 3.44Å; F263-H272 AromaticContact CE2-CG 3.67Å; F263-H272 HydrophobicContact CZ-CB 3.45Å; F263-H272 VanDerWaalsContact CZ-CB 3.45Å; F263-H272 AromaticContact CZ-CD2 3.35Å; F263-H272 WeakPolarHBondContact CZ-CD2 3.3Å; F263-H272 AromaticContact CZ-CG 3.34Å; R268-H272 WeakPolarHBondContact O-CB 3.33Å; R268-H272 PolarHBondContact O-N 3.34Å; L269-H272 CarbonylContact O-C 3.46Å; L269-H272 WeakPolarHBondContact O-CA 3.42Å; L269-H272 WeakPolarHBondContact O-CB 3.41Å; L269-H272 PolarHBondContact O-N 3.4Å; Q270-H272 VanDerWaalsContact C-N 3.27Å; Q270-H272 PolarHBondContact O-N 3.45Å; H272-R274 PolarHBondContact O-N 3.36Å; H272-R274 VanDerWaalsContact O-N 3.08Å; H272-T275 PolarHBondContact CE1-OG1 3.22Å; H272-T275 PolarHBondContact ND1-OG1 2.9Å; H272-T275 VanDerWaalsContact ND1-OG1 3.11Å; H272-T275 WeakPolarHBondContact O-CB 3.41Å; H272-T275 PolarHBondContact O-N 2.77Å; H272-T275 PolarHBondContact O-OG1 3.16Å; H272-H276 AromaticContact CD2-NE2 3.55Å; H272-H276 AromaticContact CE1-CD2 3.9Å; H272-H276 AromaticContact CE1-NE2 2.84Å; H272-H276 PolarHBondContact CE1-NE2 2.96Å; H272-H276 AromaticContact ND1-NE2 3.96Å; H272-H276 AromaticContact NE2-CD2 3.92Å; H272-H276 AromaticContact NE2-NE2 2.48Å; H272-H276 PolarHBondContact NE2-NE2 3.27Å |
| 273 | M | 89.7 | Confident | 87.9 | Confident | 54 Ų | 54 | 74.4 Ų | 74.4 | 27% | 0.266 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -57.5 | -27.3 | 175.3 | -64.9 | -52.9 | -70.1 | 0 | 0 | 112 | C254 L269 Q270 T275 H276 N277 | C254-M273 PolarHBondContact SG-SD 3.18Å; L269-M273 HydrophobicContact CD1-CG 4.11Å; L269-M273 HydrophobicContact CD1-SD 3.9Å; L269-M273 HydrophobicContact CG-CG 4.34Å; L269-M273 WeakPolarHBondContact O-CG 3.35Å; L269-M273 PolarHBondContact O-N 3.45Å; Q270-M273 PolarHBondContact O-N 3.21Å; M273-T275 PolarHBondContact O-N 2.83Å; M273-T275 VanDerWaalsContact O-N 3.13Å; M273-H276 PolarHBondContact O-N 2.91Å; M273-N277 PolarHBondContact O-N 3.21Å; M273-N277 VanDerWaalsContact O-N 3.15Å; M273-N277 PolarHBondContact O-OD1 3.2Å |
| 274 | R | 91.6 | Very high | 88.5 | Confident | 55 Ų | 55 | 72.5 Ų | 72.5 | 21% | 0.208 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -20.4 | 170.8 | -59.2 | -173.6 | -174.3 | 144.9 | 8 | 114.9 | Q270 V271 H272 N277 G278 E279 T294 | Q270-R274 PolarHBondContact O-N 3.3Å; V271-R274 WeakPolarHBondContact O-CB 3.19Å; H272-R274 PolarHBondContact O-N 3.36Å; H272-R274 VanDerWaalsContact O-N 3.08Å; R274-N277 WeakPolarHBondContact CA-OD1 3.31Å; R274-N277 PolarHBondContact O-OD1 3.07Å; R274-G278 CarbonylContact O-C 3.58Å; R274-G278 WeakPolarHBondContact O-CA 3.39Å; R274-G278 PolarHBondContact O-N 3.43Å; R274-E279 HydrophobicContact CB-CB 4.25Å; R274-E279 HydrophobicContact CG-CB 4.06Å; R274-E279 PolarHBondContact O-N 2.81Å; R274-T294 HydrophobicContact CB-CG2 4.25Å; R274-T294 PolarHBondContact NH1-O 2.91Å |
| 275 | T | 89.6 | Confident | 89.2 | Confident | 87 Ų | 87 | 78.5 Ų | 78.5 | 53% | 0.534 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -16.9 | 174.5 | 69.9 | 0 | 0 | 0 | 0 | 113.1 | H272 M273 | H272-T275 PolarHBondContact CE1-OG1 3.22Å; H272-T275 PolarHBondContact ND1-OG1 2.9Å; H272-T275 VanDerWaalsContact ND1-OG1 3.11Å; H272-T275 WeakPolarHBondContact O-CB 3.41Å; H272-T275 PolarHBondContact O-N 2.77Å; H272-T275 PolarHBondContact O-OG1 3.16Å; M273-T275 PolarHBondContact O-N 2.83Å; M273-T275 VanDerWaalsContact O-N 3.13Å |
| 276 | H | 88.6 | Confident | 89.5 | Confident | 92 Ų | 92 | 78.9 Ų | 78.9 | 43% | 0.426 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -46.7 | 178.3 | -64.6 | -61.2 | 0 | 0 | 0 | 112.1 | C254 C259 H272 M273 G278 | C254-H276 PolarHBondContact SG-NE2 3.2Å; C259-H276 WeakPolarHBondContact CB-CE1 3.21Å; C259-H276 WeakPolarHBondContact CB-NE2 3.27Å; C259-H276 PolarHBondContact SG-CE1 3.13Å; C259-H276 PolarHBondContact SG-NE2 3.26Å; H272-H276 AromaticContact CD2-NE2 3.55Å; H272-H276 AromaticContact CE1-CD2 3.9Å; H272-H276 AromaticContact CE1-NE2 2.84Å; H272-H276 PolarHBondContact CE1-NE2 2.96Å; H272-H276 AromaticContact ND1-NE2 3.96Å; H272-H276 AromaticContact NE2-CD2 3.92Å; H272-H276 AromaticContact NE2-NE2 2.48Å; H272-H276 PolarHBondContact NE2-NE2 3.27Å; M273-H276 PolarHBondContact O-N 2.91Å; H276-G278 VanDerWaalsContact C-N 3.32Å |
| 277 | N | 87.7 | Confident | 89.6 | Confident | 85 Ų | 85 | 84 Ų | 84 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -82.2 | -7.4 | 177.6 | 67 | 13.1 | 0 | 0 | 0 | 113.6 | M273 R274 E279 | M273-N277 PolarHBondContact O-N 3.21Å; M273-N277 VanDerWaalsContact O-N 3.15Å; M273-N277 PolarHBondContact O-OD1 3.2Å; R274-N277 WeakPolarHBondContact CA-OD1 3.31Å; R274-N277 PolarHBondContact O-OD1 3.07Å; N277-E279 VanDerWaalsContact C-N 3.28Å; N277-E279 WeakPolarHBondContact ND2-CG 3.4Å; N277-E279 PolarHBondContact ND2-OE1 3.26Å; N277-E279 VanDerWaalsContact ND2-OE1 3.09Å; N277-E279 PolarHBondContact ND2-OE2 2.9Å; N277-E279 VanDerWaalsContact ND2-OE2 3.09Å; N277-E279 PolarHBondContact O-N 2.91Å; N277-E279 VanDerWaalsContact OD1-CB 3.25Å; N277-E279 WeakPolarHBondContact OD1-CB 3.36Å; N277-E279 WeakPolarHBondContact OD1-CG 3.39Å; N277-E279 PolarHBondContact OD1-N 3.11Å |
| 278 | G | 88 | Confident | 89.6 | Confident | 45 Ų | 45 | 85.3 Ų | 85.3 | 46% | 0.464 | 42% | 0.42 | S | S | . | . | trans | 75.1 | 6.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R274 H276 K280 | R274-G278 CarbonylContact O-C 3.58Å; R274-G278 WeakPolarHBondContact O-CA 3.39Å; R274-G278 PolarHBondContact O-N 3.43Å; H276-G278 VanDerWaalsContact C-N 3.32Å; G278-K280 PolarHBondContact O-N 3.49Å | ||
| 279 | E | 90 | Very high | 89.9 | Confident | 101 Ų | 101 | 79.9 Ų | 79.9 | 47% | 0.472 | 40% | 0.403 | S | S | . | . | trans | -58.7 | 123.8 | -177.8 | -80.3 | 172.3 | -177.4 | 0 | 0 | 112.6 | R274 N277 | R274-E279 HydrophobicContact CB-CB 4.25Å; R274-E279 HydrophobicContact CG-CB 4.06Å; R274-E279 PolarHBondContact O-N 2.81Å; N277-E279 VanDerWaalsContact C-N 3.28Å; N277-E279 WeakPolarHBondContact ND2-CG 3.4Å; N277-E279 PolarHBondContact ND2-OE1 3.26Å; N277-E279 VanDerWaalsContact ND2-OE1 3.09Å; N277-E279 PolarHBondContact ND2-OE2 2.9Å; N277-E279 VanDerWaalsContact ND2-OE2 3.09Å; N277-E279 PolarHBondContact O-N 2.91Å; N277-E279 VanDerWaalsContact OD1-CB 3.25Å; N277-E279 WeakPolarHBondContact OD1-CB 3.36Å; N277-E279 WeakPolarHBondContact OD1-CG 3.39Å; N277-E279 PolarHBondContact OD1-N 3.11Å | ||
| 280 | K | 90.8 | Very high | 89.9 | Confident | 114 Ų | 114 | 81.1 Ų | 81.1 | 50% | 0.496 | 42% | 0.42 | S | S | . | . | trans | -128.5 | 77 | 177.1 | -68.9 | 167.9 | -172.2 | 176.2 | 0 | 110.1 | G278 F282 K292 F293 T294 | G278-K280 PolarHBondContact O-N 3.49Å; K280-F282 PolarHBondContact O-N 3.14Å; K280-K292 HydrophobicContact CB-CB 3.52Å; K280-K292 HydrophobicContact CD-CB 4.23Å; K280-K292 HydrophobicContact CG-CB 4.47Å; K280-F293 CarbonylContact C-O 3.15Å; K280-F293 VanDerWaalsContact CA-O 3.25Å; K280-F293 WeakPolarHBondContact CA-O 3.23Å; K280-T294 HydrophobicContact CG-CG2 3.97Å | ||
| 281 | P | 90 | Very high | 90 | Very high | 73 Ų | 73 | 81.8 Ų | 81.8 | 47% | 0.474 | 42% | 0.421 | S | S | . | . | trans | -66.7 | -23 | -172.7 | -21 | 33.8 | 0 | 0 | 0 | 114.1 | ||||
| 282 | F | 92.6 | Very high | 90.2 | Very high | 67 Ų | 67 | 85.7 Ų | 85.7 | 29% | 0.294 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 104.1 | -171.2 | -58.1 | -81.3 | 0 | 0 | 0 | 110.3 | K280 K292 F293 T295 A296 L299 | K280-F282 PolarHBondContact O-N 3.14Å; F282-K292 CarbonylContact O-C 3.6Å; F282-K292 WeakPolarHBondContact O-CA 3.5Å; F282-F293 HydrophobicContact CB-CB 4.23Å; F282-F293 PolarHBondContact N-O 3.27Å; F282-F293 VanDerWaalsContact N-O 3.11Å; F282-F293 PolarHBondContact O-N 3Å; F282-T295 VanDerWaalsContact CD2-CA 3.47Å; F282-A296 HydrophobicContact CD1-CB 3.86Å; F282-A296 HydrophobicContact CE1-CB 3.69Å; F282-A296 HydrophobicContact CG-CB 4.48Å; F282-A296 HydrophobicContact CZ-CB 4.17Å; F282-L299 HydrophobicContact CB-CB 4.09Å; F282-L299 HydrophobicContact CB-CD2 3.91Å |
| 283 | I | 93 | Very high | 90.3 | Very high | 78 Ų | 78 | 86.9 Ų | 86.9 | 40% | 0.4 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.3 | -175.3 | -50.1 | -176.9 | 0 | 0 | 0 | 110.5 | K285 K292 | I283-K285 PolarHBondContact O-N 3.39Å; I283-K292 HydrophobicContact CD1-CD 4.16Å; I283-K292 HydrophobicContact CD1-CG 4.44Å; I283-K292 HydrophobicContact CG1-CD 4.18Å; I283-K292 HydrophobicContact CG1-CG 4.01Å; I283-K292 HydrophobicContact CG2-CG 4.33Å |
| 284 | C | 94.8 | Very high | 90.4 | Very high | 4 Ų | 4 | 85.8 Ų | 85.8 | 3% | 0.027 | 44% | 0.436 | C | S | . | . | trans | -73.7 | 112.1 | 170.6 | -169 | 0 | 0 | 0 | 0 | 110.1 | E286 C289 G290 K291 F293 L299 H306 | C284-E286 VanDerWaalsContact C-N 3.28Å; C284-E286 VanDerWaalsContact SG-CG 3.51Å; C284-C289 HydrophobicContact CB-CB 4.37Å; C284-G290 PolarHBondContact O-N 3.1Å; C284-K291 HydrophobicContact CB-CB 4.48Å; C284-K291 WeakPolarHBondContact CB-O 3.49Å; C284-K291 PolarHBondContact N-O 3.43Å; C284-F293 HydrophobicContact CB-CE2 4.37Å; C284-L299 HydrophobicContact CB-CD1 3.77Å; C284-H306 PolarHBondContact SG-NE2 3.4Å | ||
| 285 | K | 91.6 | Very high | 90.4 | Very high | 206 Ų | 206 | 84.7 Ų | 84.7 | 90% | 0.896 | 44% | 0.436 | S | S | * | . | trans | -81.8 | -0.5 | 178.9 | -61.5 | -171.6 | 177.8 | -173.7 | 0 | 114 | I283 | I283-K285 PolarHBondContact O-N 3.39Š| ||
| 286 | E | 89.4 | Confident | 90.4 | Very high | 57 Ų | 57 | 83.1 Ų | 83.1 | 27% | 0.266 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -65.2 | 140.8 | 178.4 | -54.3 | -64.4 | 166.4 | 0 | 0 | 110.6 | C284 N288 C289 R303 H306 | C284-E286 VanDerWaalsContact C-N 3.28Å; C284-E286 VanDerWaalsContact SG-CG 3.51Å; E286-N288 PolarHBondContact O-N 3.46Å; E286-C289 HydrophobicContact CB-CB 4.18Å; E286-C289 WeakPolarHBondContact O-CB 3.22Å; E286-C289 PolarHBondContact O-N 3.49Å; E286-R303 IonicContact OE1-CZ 3.81Å; E286-R303 VanDerWaalsContact OE1-CZ 3.31Å; E286-R303 IonicContact OE1-NE 3.05Å; E286-R303 PolarHBondContact OE1-NE 2.83Å; E286-R303 IonicContact OE1-NH2 2.99Å; E286-R303 PolarHBondContact OE1-NH2 3.32Å; E286-H306 HydrophobicContact CG-CB 4.26Å |
| 287 | K | 85.9 | Confident | 90.5 | Very high | 190 Ų | 190 | 80.7 Ų | 80.7 | 83% | 0.826 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | 134.5 | -175.5 | -169.9 | 174.6 | -178.9 | 179.4 | 0 | 110.7 | C289 | K287-C289 PolarHBondContact O-N 3.34Å; K287-C289 VanDerWaalsContact O-N 3.17Å |
| 288 | N | 86.2 | Confident | 90.6 | Very high | 163 Ų | 163 | 80.5 Ų | 80.5 | 87% | 0.872 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 12 | -177.3 | -55.3 | -3.7 | 0 | 0 | 0 | 116 | E286 | E286-N288 PolarHBondContact O-N 3.46Š|
| 289 | C | 91.6 | Very high | 90.8 | Very high | 20 Ų | 20 | 79.7 Ų | 79.7 | 14% | 0.135 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -64.4 | 178.9 | -173.8 | 0 | 0 | 0 | 0 | 114.2 | C284 E286 K287 K291 H302 H306 | C284-C289 HydrophobicContact CB-CB 4.37Å; E286-C289 HydrophobicContact CB-CB 4.18Å; E286-C289 WeakPolarHBondContact O-CB 3.22Å; E286-C289 PolarHBondContact O-N 3.49Å; K287-C289 PolarHBondContact O-N 3.34Å; K287-C289 VanDerWaalsContact O-N 3.17Å; C289-K291 PolarHBondContact O-N 2.97Å; C289-H302 PolarHBondContact SG-NE2 3.11Å; C289-H306 WeakPolarHBondContact CB-CE1 3.49Å; C289-H306 WeakPolarHBondContact CB-NE2 3.5Å; C289-H306 PolarHBondContact SG-CE1 3.44Å; C289-H306 PolarHBondContact SG-NE2 2.93Å |
| 290 | G | 89 | Confident | 90.9 | Very high | 46 Ų | 46 | 81.8 Ų | 81.8 | 47% | 0.474 | 42% | 0.422 | S | S | . | . | trans | 61.2 | -0.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | C284 | C284-G290 PolarHBondContact O-N 3.1Š| ||
| 291 | K | 91.6 | Very high | 90.9 | Very high | 120 Ų | 120 | 79.1 Ų | 79.1 | 52% | 0.522 | 41% | 0.413 | S | S | . | . | trans | -63.4 | 135.5 | -173.4 | -70.7 | 174.7 | -176 | 172.4 | 0 | 111.8 | C284 C289 F293 | C284-K291 HydrophobicContact CB-CB 4.48Å; C284-K291 WeakPolarHBondContact CB-O 3.49Å; C284-K291 PolarHBondContact N-O 3.43Å; C289-K291 PolarHBondContact O-N 2.97Å; K291-F293 HydrophobicContact CB-CE2 3.78Å; K291-F293 HydrophobicContact CB-CZ 3.92Å; K291-F293 WeakPolarHBondContact O-CE2 3.36Å | ||
| 292 | K | 93.2 | Very high | 91 | Very high | 126 Ų | 126 | 76.3 Ų | 76.3 | 55% | 0.548 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 142 | -176.6 | -46.7 | -169 | -179.4 | 179.7 | 0 | 111.9 | K280 F282 I283 | K280-K292 HydrophobicContact CB-CB 3.52Å; K280-K292 HydrophobicContact CD-CB 4.23Å; K280-K292 HydrophobicContact CG-CB 4.47Å; F282-K292 CarbonylContact O-C 3.6Å; F282-K292 WeakPolarHBondContact O-CA 3.5Å; I283-K292 HydrophobicContact CD1-CD 4.16Å; I283-K292 HydrophobicContact CD1-CG 4.44Å; I283-K292 HydrophobicContact CG1-CD 4.18Å; I283-K292 HydrophobicContact CG1-CG 4.01Å; I283-K292 HydrophobicContact CG2-CG 4.33Å |
| 293 | F | 92.3 | Very high | 90.9 | Very high | 42 Ų | 42 | 79 Ų | 79 | 18% | 0.184 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 151.2 | -174.9 | -59.6 | -87.9 | 0 | 0 | 0 | 112.1 | K280 F282 C284 K291 N298 L299 H302 | K280-F293 CarbonylContact C-O 3.15Å; K280-F293 VanDerWaalsContact CA-O 3.25Å; K280-F293 WeakPolarHBondContact CA-O 3.23Å; F282-F293 HydrophobicContact CB-CB 4.23Å; F282-F293 PolarHBondContact N-O 3.27Å; F282-F293 VanDerWaalsContact N-O 3.11Å; F282-F293 PolarHBondContact O-N 3Å; C284-F293 HydrophobicContact CB-CE2 4.37Å; K291-F293 HydrophobicContact CB-CE2 3.78Å; K291-F293 HydrophobicContact CB-CZ 3.92Å; K291-F293 WeakPolarHBondContact O-CE2 3.36Å; F293-N298 HydrophobicContact CB-CB 4.25Å; F293-N298 HydrophobicContact CD1-CB 3.97Å; F293-N298 HydrophobicContact CG-CB 4.41Å; F293-L299 HydrophobicContact CB-CB 4.3Å; F293-L299 HydrophobicContact CD2-CB 3.99Å; F293-L299 HydrophobicContact CD2-CD1 3.83Å; F293-L299 HydrophobicContact CD2-CG 4.49Å; F293-L299 HydrophobicContact CE2-CD1 4.03Å; F293-L299 HydrophobicContact CG-CB 4.26Å; F293-H302 HydrophobicContact CE1-CB 3.82Å; F293-H302 HydrophobicContact CE2-CB 3.96Å; F293-H302 AromaticContact CE2-CD2 3.31Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.36Å; F293-H302 AromaticContact CE2-CG 3.67Å; F293-H302 HydrophobicContact CZ-CB 3.44Å; F293-H302 VanDerWaalsContact CZ-CB 3.44Å; F293-H302 AromaticContact CZ-CD2 3.3Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.48Å; F293-H302 AromaticContact CZ-CG 3.18Å; F293-H302 AromaticContact CZ-ND1 3.82Å; F293-H302 AromaticContact CZ-NE2 3.98Å |
| 294 | T | 90.9 | Very high | 90.8 | Very high | 30 Ų | 30 | 77 Ų | 77 | 18% | 0.184 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -78.6 | -19.6 | 179 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | R274 K280 | R274-T294 HydrophobicContact CB-CG2 4.25Å; R274-T294 PolarHBondContact NH1-O 2.91Å; K280-T294 HydrophobicContact CG-CG2 3.97Å |
| 295 | T | 91 | Very high | 90.6 | Very high | 33 Ų | 33 | 82.6 Ų | 82.6 | 20% | 0.202 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -139.5 | 149.8 | -179.1 | 68.8 | 0 | 0 | 0 | 0 | 112.4 | V271 F282 G297 N298 L299 | V271-T295 HydrophobicContact CG1-CG2 3.55Å; F282-T295 VanDerWaalsContact CD2-CA 3.47Å; T295-G297 VanDerWaalsContact C-N 3.31Å; T295-G297 PolarHBondContact O-N 3.45Å; T295-N298 PolarHBondContact O-N 3.44Å; T295-N298 WeakPolarHBondContact OG1-CB 3.45Å; T295-N298 PolarHBondContact OG1-N 2.98Å; T295-N298 PolarHBondContact OG1-ND2 2.87Å; T295-N298 PolarHBondContact OG1-OD1 3.37Å; T295-L299 PolarHBondContact O-N 2.88Å |
| 296 | A | 90.3 | Very high | 90.5 | Very high | 54 Ų | 54 | 76.9 Ų | 76.9 | 45% | 0.446 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.2 | -36.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F282 N298 L299 K300 | F282-A296 HydrophobicContact CD1-CB 3.86Å; F282-A296 HydrophobicContact CE1-CB 3.69Å; F282-A296 HydrophobicContact CG-CB 4.48Å; F282-A296 HydrophobicContact CZ-CB 4.17Å; A296-N298 VanDerWaalsContact C-N 3.35Å; A296-N298 PolarHBondContact O-N 3.45Å; A296-L299 PolarHBondContact O-N 3.36Å; A296-K300 PolarHBondContact O-N 3.04Å |
| 297 | G | 89.6 | Confident | 90.5 | Very high | 40 Ų | 40 | 77.6 Ų | 77.6 | 41% | 0.412 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | T295 K300 N301 | T295-G297 VanDerWaalsContact C-N 3.31Å; T295-G297 PolarHBondContact O-N 3.45Å; G297-K300 PolarHBondContact O-N 2.95Å; G297-N301 PolarHBondContact O-N 2.88Å |
| 298 | N | 90.8 | Very high | 90.6 | Very high | 81 Ų | 81 | 70.9 Ų | 70.9 | 43% | 0.433 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 176 | -69.1 | 4.4 | 0 | 0 | 0 | 111.3 | F293 T295 A296 H302 | F293-N298 HydrophobicContact CB-CB 4.25Å; F293-N298 HydrophobicContact CD1-CB 3.97Å; F293-N298 HydrophobicContact CG-CB 4.41Å; T295-N298 PolarHBondContact O-N 3.44Å; T295-N298 WeakPolarHBondContact OG1-CB 3.45Å; T295-N298 PolarHBondContact OG1-N 2.98Å; T295-N298 PolarHBondContact OG1-ND2 2.87Å; T295-N298 PolarHBondContact OG1-OD1 3.37Å; A296-N298 VanDerWaalsContact C-N 3.35Å; A296-N298 PolarHBondContact O-N 3.45Å; N298-H302 VanDerWaalsContact O-CB 3.29Å; N298-H302 WeakPolarHBondContact O-CB 3.42Å; N298-H302 PolarHBondContact O-N 2.48Å |
| 299 | L | 93.1 | Very high | 90.8 | Very high | 28 Ų | 28 | 68 Ų | 68 | 15% | 0.147 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 171.9 | 173.8 | 59.9 | 0 | 0 | 0 | 111.7 | F282 C284 F293 T295 A296 N301 H302 R303 | F282-L299 HydrophobicContact CB-CB 4.09Å; F282-L299 HydrophobicContact CB-CD2 3.91Å; C284-L299 HydrophobicContact CB-CD1 3.77Å; F293-L299 HydrophobicContact CB-CB 4.3Å; F293-L299 HydrophobicContact CD2-CB 3.99Å; F293-L299 HydrophobicContact CD2-CD1 3.83Å; F293-L299 HydrophobicContact CD2-CG 4.49Å; F293-L299 HydrophobicContact CE2-CD1 4.03Å; F293-L299 HydrophobicContact CG-CB 4.26Å; T295-L299 PolarHBondContact O-N 2.88Å; A296-L299 PolarHBondContact O-N 3.36Å; L299-N301 PolarHBondContact O-N 2.81Å; L299-H302 WeakPolarHBondContact O-CB 3.32Å; L299-H302 PolarHBondContact O-N 3.45Å; L299-R303 HydrophobicContact CD1-CG 4.21Å; L299-R303 WeakPolarHBondContact O-CG 3.37Å; L299-R303 PolarHBondContact O-N 2.8Å |
| 300 | K | 91.1 | Very high | 90.8 | Very high | 145 Ų | 145 | 72.6 Ų | 72.6 | 63% | 0.63 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -60.2 | -46.5 | 177.6 | -174.9 | 173.6 | -177.5 | 172.5 | 0 | 111.7 | A296 G297 H302 R303 | A296-K300 PolarHBondContact O-N 3.04Å; G297-K300 PolarHBondContact O-N 2.95Å; K300-H302 VanDerWaalsContact C-N 3.33Å; K300-H302 PolarHBondContact O-N 2.84Å; K300-R303 PolarHBondContact O-N 3.13Å |
| 301 | N | 90 | Very high | 90.8 | Very high | 58 Ų | 58 | 73.6 Ų | 73.6 | 31% | 0.31 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.3 | -37.8 | 175.3 | -73.9 | -12.5 | 0 | 0 | 0 | 111.8 | G297 L299 R304 | G297-N301 PolarHBondContact O-N 2.88Å; L299-N301 PolarHBondContact O-N 2.81Å; N301-R304 WeakPolarHBondContact O-CB 2.98Å; N301-R304 PolarHBondContact O-N 3.49Å; N301-R304 PolarHBondContact OD1-NH1 3.33Å; N301-R304 VanDerWaalsContact OD1-NH1 3.11Å |
| 302 | H | 92.1 | Very high | 90.9 | Very high | 15 Ų | 15 | 70.7 Ų | 70.7 | 7% | 0.069 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 175.4 | 170.8 | 57.3 | 0 | 0 | 0 | 112.9 | C289 F293 N298 L299 K300 R304 I305 H306 | C289-H302 PolarHBondContact SG-NE2 3.11Å; F293-H302 HydrophobicContact CE1-CB 3.82Å; F293-H302 HydrophobicContact CE2-CB 3.96Å; F293-H302 AromaticContact CE2-CD2 3.31Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.36Å; F293-H302 AromaticContact CE2-CG 3.67Å; F293-H302 HydrophobicContact CZ-CB 3.44Å; F293-H302 VanDerWaalsContact CZ-CB 3.44Å; F293-H302 AromaticContact CZ-CD2 3.3Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.48Å; F293-H302 AromaticContact CZ-CG 3.18Å; F293-H302 AromaticContact CZ-ND1 3.82Å; F293-H302 AromaticContact CZ-NE2 3.98Å; N298-H302 VanDerWaalsContact O-CB 3.29Å; N298-H302 WeakPolarHBondContact O-CB 3.42Å; N298-H302 PolarHBondContact O-N 2.48Å; L299-H302 WeakPolarHBondContact O-CB 3.32Å; L299-H302 PolarHBondContact O-N 3.45Å; K300-H302 VanDerWaalsContact C-N 3.33Å; K300-H302 PolarHBondContact O-N 2.84Å; H302-R304 PolarHBondContact O-N 2.8Å; H302-R304 VanDerWaalsContact O-N 3.16Å; H302-I305 VanDerWaalsContact O-CB 3.29Å; H302-I305 WeakPolarHBondContact O-CB 3.46Å; H302-I305 PolarHBondContact O-N 2.94Å; H302-H306 AromaticContact CD2-NE2 3.27Å; H302-H306 PolarHBondContact CD2-NE2 3.08Å; H302-H306 VanDerWaalsContact CD2-NE2 3.27Å; H302-H306 AromaticContact CE1-NE2 2.8Å; H302-H306 PolarHBondContact CE1-NE2 3.36Å; H302-H306 AromaticContact ND1-NE2 3.9Å; H302-H306 AromaticContact NE2-CD2 3.9Å; H302-H306 AromaticContact NE2-NE2 2.25Å; H302-H306 PolarHBondContact NE2-NE2 2.93Å |
| 303 | R | 91.1 | Very high | 90.9 | Very high | 123 Ų | 123 | 69.8 Ų | 69.8 | 46% | 0.464 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.1 | -28.6 | 179.1 | -74.7 | -174.9 | 74 | -146.4 | -2 | 113.3 | E286 L299 K300 I305 H306 T307 | E286-R303 IonicContact OE1-CZ 3.81Å; E286-R303 VanDerWaalsContact OE1-CZ 3.31Å; E286-R303 IonicContact OE1-NE 3.05Å; E286-R303 PolarHBondContact OE1-NE 2.83Å; E286-R303 IonicContact OE1-NH2 2.99Å; E286-R303 PolarHBondContact OE1-NH2 3.32Å; L299-R303 HydrophobicContact CD1-CG 4.21Å; L299-R303 WeakPolarHBondContact O-CG 3.37Å; L299-R303 PolarHBondContact O-N 2.8Å; K300-R303 PolarHBondContact O-N 3.13Å; R303-I305 PolarHBondContact O-N 2.97Å; R303-I305 VanDerWaalsContact O-N 3.16Å; R303-H306 WeakPolarHBondContact O-CB 3.44Å; R303-H306 PolarHBondContact O-N 3.41Å; R303-T307 PolarHBondContact O-N 3.43Å; R303-T307 VanDerWaalsContact O-N 3.12Å |
| 304 | R | 92.1 | Very high | 91 | Very high | 35 Ų | 35 | 68.2 Ų | 68.2 | 13% | 0.132 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61 | -20.1 | 173.1 | -63 | -171.6 | 175.5 | 130.6 | 3.9 | 114.5 | N301 H302 H306 G308 E309 A324 | N301-R304 WeakPolarHBondContact O-CB 2.98Å; N301-R304 PolarHBondContact O-N 3.49Å; N301-R304 PolarHBondContact OD1-NH1 3.33Å; N301-R304 VanDerWaalsContact OD1-NH1 3.11Å; H302-R304 PolarHBondContact O-N 2.8Å; H302-R304 VanDerWaalsContact O-N 3.16Å; R304-H306 VanDerWaalsContact C-N 3.3Å; R304-G308 CarbonylContact O-C 3.55Å; R304-G308 WeakPolarHBondContact O-CA 3.39Å; R304-G308 PolarHBondContact O-N 3.32Å; R304-E309 HydrophobicContact CB-CB 4.13Å; R304-E309 HydrophobicContact CG-CB 3.9Å; R304-E309 IonicContact NE-OE2 2.73Å; R304-E309 PolarHBondContact O-N 3.34Å; R304-A324 HydrophobicContact CB-CB 4.05Å; R304-A324 VanDerWaalsContact CD-O 3.28Å; R304-A324 WeakPolarHBondContact CD-O 3.36Å; R304-A324 PolarHBondContact NH1-O 2.97Å |
| 305 | I | 89.4 | Confident | 91 | Very high | 123 Ų | 123 | 75.5 Ų | 75.5 | 63% | 0.631 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -70.5 | -30.8 | 173 | -62.1 | 163.9 | 0 | 0 | 0 | 110.6 | H302 R303 | H302-I305 VanDerWaalsContact O-CB 3.29Å; H302-I305 WeakPolarHBondContact O-CB 3.46Å; H302-I305 PolarHBondContact O-N 2.94Å; R303-I305 PolarHBondContact O-N 2.97Å; R303-I305 VanDerWaalsContact O-N 3.16Å |
| 306 | H | 89.9 | Confident | 90.9 | Very high | 85 Ų | 85 | 75.1 Ų | 75.1 | 39% | 0.394 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -84.1 | -41.3 | 177.2 | -58.4 | -67.6 | 0 | 0 | 0 | 112.1 | C284 E286 C289 H302 R303 R304 G308 | C284-H306 PolarHBondContact SG-NE2 3.4Å; E286-H306 HydrophobicContact CG-CB 4.26Å; C289-H306 WeakPolarHBondContact CB-CE1 3.49Å; C289-H306 WeakPolarHBondContact CB-NE2 3.5Å; C289-H306 PolarHBondContact SG-CE1 3.44Å; C289-H306 PolarHBondContact SG-NE2 2.93Å; H302-H306 AromaticContact CD2-NE2 3.27Å; H302-H306 PolarHBondContact CD2-NE2 3.08Å; H302-H306 VanDerWaalsContact CD2-NE2 3.27Å; H302-H306 AromaticContact CE1-NE2 2.8Å; H302-H306 PolarHBondContact CE1-NE2 3.36Å; H302-H306 AromaticContact ND1-NE2 3.9Å; H302-H306 AromaticContact NE2-CD2 3.9Å; H302-H306 AromaticContact NE2-NE2 2.25Å; H302-H306 PolarHBondContact NE2-NE2 2.93Å; R303-H306 WeakPolarHBondContact O-CB 3.44Å; R303-H306 PolarHBondContact O-N 3.41Å; R304-H306 VanDerWaalsContact C-N 3.3Å; H306-G308 VanDerWaalsContact C-N 3.34Å |
| 307 | T | 88.5 | Confident | 90.8 | Very high | 73 Ų | 73 | 80.5 Ų | 80.5 | 45% | 0.448 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -80.6 | -13.4 | 178.7 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | R303 E309 | R303-T307 PolarHBondContact O-N 3.43Å; R303-T307 VanDerWaalsContact O-N 3.12Å; T307-E309 PolarHBondContact O-N 3.38Å; T307-E309 WeakPolarHBondContact OG1-CB 3.42Å; T307-E309 WeakPolarHBondContact OG1-CG 3.43Å; T307-E309 PolarHBondContact OG1-OE1 3.24Å |
| 308 | G | 89 | Confident | 90.6 | Very high | 49 Ų | 49 | 83 Ų | 83 | 51% | 0.505 | 45% | 0.447 | S | S | . | . | trans | 72.5 | 2.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R304 H306 K310 | R304-G308 CarbonylContact O-C 3.55Å; R304-G308 WeakPolarHBondContact O-CA 3.39Å; R304-G308 PolarHBondContact O-N 3.32Å; H306-G308 VanDerWaalsContact C-N 3.34Å; G308-K310 PolarHBondContact O-N 2.92Å | ||
| 309 | E | 91.3 | Very high | 90.7 | Very high | 103 Ų | 103 | 80.2 Ų | 80.2 | 48% | 0.481 | 43% | 0.433 | S | S | . | . | trans | -56.2 | 123 | -178.5 | -86.6 | 172.4 | -131.3 | 0 | 0 | 113.1 | R304 T307 P311 | R304-E309 HydrophobicContact CB-CB 4.13Å; R304-E309 HydrophobicContact CG-CB 3.9Å; R304-E309 IonicContact NE-OE2 2.73Å; R304-E309 PolarHBondContact O-N 3.34Å; T307-E309 PolarHBondContact O-N 3.38Å; T307-E309 WeakPolarHBondContact OG1-CB 3.42Å; T307-E309 WeakPolarHBondContact OG1-CG 3.43Å; T307-E309 PolarHBondContact OG1-OE1 3.24Å; E309-P311 WeakPolarHBondContact O-CD 3.39Å | ||
| 310 | K | 90.4 | Very high | 90.4 | Very high | 116 Ų | 116 | 81.9 Ų | 81.9 | 50% | 0.504 | 46% | 0.457 | S | S | . | . | trans | -126.6 | 70.6 | 177.4 | -70.1 | 170 | -178.3 | -173.4 | 0 | 110.9 | G308 F312 S322 F323 | G308-K310 PolarHBondContact O-N 2.92Å; K310-F312 PolarHBondContact O-N 3.04Å; K310-S322 WeakPolarHBondContact CB-OG 3.41Å; K310-S322 WeakPolarHBondContact CD-O 3.46Å; K310-S322 WeakPolarHBondContact CD-OG 3.41Å; K310-F323 CarbonylContact C-O 3.59Å; K310-F323 VanDerWaalsContact C-O 3.28Å; K310-F323 VanDerWaalsContact CA-O 3.29Å; K310-F323 WeakPolarHBondContact CA-O 3.47Å | ||
| 311 | P | 89.9 | Confident | 90.4 | Very high | 66 Ų | 66 | 82.4 Ų | 82.4 | 43% | 0.429 | 46% | 0.455 | S | S | . | . | trans | -71.5 | -9.3 | -172.6 | 29.9 | -36.2 | 0 | 0 | 0 | 114.2 | E309 | E309-P311 WeakPolarHBondContact O-CD 3.39Š| ||
| 312 | F | 92.8 | Very high | 90.4 | Very high | 60 Ų | 60 | 81.6 Ų | 81.6 | 26% | 0.263 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 96.7 | -179.5 | -54.8 | -71 | 0 | 0 | 0 | 109.9 | K310 S322 F323 Y326 L329 | K310-F312 PolarHBondContact O-N 3.04Å; F312-S322 CarbonylContact O-C 3.28Å; F312-S322 WeakPolarHBondContact O-CA 3.43Å; F312-F323 HydrophobicContact CB-CB 4.37Å; F312-F323 WeakPolarHBondContact CD2-O 3.37Å; F312-F323 PolarHBondContact N-O 2.92Å; F312-F323 VanDerWaalsContact N-O 3.14Å; F312-F323 PolarHBondContact O-N 3.36Å; F312-Y326 HydrophobicContact CD1-CD2 4.02Å; F312-Y326 HydrophobicContact CD1-CG 4.47Å; F312-Y326 HydrophobicContact CE1-CD2 4.34Å; F312-Y326 HydrophobicContact CE1-CG 4.49Å; F312-Y326 VanDerWaalsContact CE2-N 3.35Å; F312-L329 HydrophobicContact CB-CB 4.22Å; F312-L329 HydrophobicContact CB-CD2 3.93Å |
| 313 | L | 93.2 | Very high | 90.4 | Very high | 106 Ų | 106 | 82.9 Ų | 82.9 | 56% | 0.555 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 150.1 | 176.8 | -65.6 | 120.9 | 0 | 0 | 0 | 111.3 | L329 | L313-L329 VanDerWaalsContact O-CD2 3.27Å; L313-L329 WeakPolarHBondContact O-CD2 3.48Å |
| 314 | C | 94.1 | Very high | 90.3 | Very high | 9 Ų | 9 | 78.5 Ų | 78.5 | 6% | 0.061 | 45% | 0.449 | C | S | . | . | trans | -86.4 | 113 | 168.3 | -174.8 | 0 | 0 | 0 | 0 | 109 | A316 C319 R321 F323 L329 H336 | C314-A316 PolarHBondContact O-N 2.96Å; C314-C319 HydrophobicContact CB-CB 4.42Å; C314-C319 VanDerWaalsContact SG-SG 3.63Å; C314-R321 HydrophobicContact CB-CB 4.43Å; C314-R321 VanDerWaalsContact CB-O 3.24Å; C314-R321 WeakPolarHBondContact CB-O 3.35Å; C314-R321 PolarHBondContact N-O 3.02Å; C314-F323 HydrophobicContact CB-CE2 4.44Å; C314-L329 HydrophobicContact CB-CD1 3.88Å; C314-H336 PolarHBondContact SG-NE2 3.14Å | ||
| 315 | E | 91.1 | Very high | 90.2 | Very high | 184 Ų | 184 | 80.7 Ų | 80.7 | 86% | 0.86 | 46% | 0.461 | S | S | * | . | trans | -80.4 | 5.8 | 179.4 | -63.5 | 169.9 | -179.5 | 0 | 0 | 113 | ||||
| 316 | A | 89.2 | Confident | 90.2 | Very high | 24 Ų | 24 | 80.7 Ų | 80.7 | 20% | 0.198 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -73 | 130.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | C314 G318 C319 M333 | C314-A316 PolarHBondContact O-N 2.96Å; A316-G318 PolarHBondContact O-N 3.46Å; A316-C319 HydrophobicContact CB-CB 4.17Å; A316-C319 WeakPolarHBondContact O-CB 3.18Å; A316-C319 PolarHBondContact O-N 3.42Å; A316-M333 HydrophobicContact CB-CE 4.43Å |
| 317 | D | 88.7 | Confident | 90.2 | Very high | 167 Ų | 167 | 78.6 Ų | 78.6 | 89% | 0.893 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 133.5 | -176.7 | -67.9 | -49.1 | 0 | 0 | 0 | 112.3 | C319 | D317-C319 PolarHBondContact O-N 3.23Å; D317-C319 VanDerWaalsContact O-N 3.15Å |
| 318 | G | 85.9 | Confident | 90.3 | Very high | 94 Ų | 94 | 77.2 Ų | 77.2 | 97% | 0.969 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | -2.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | A316 | A316-G318 PolarHBondContact O-N 3.46Š|
| 319 | C | 91.6 | Very high | 90.5 | Very high | 21 Ų | 21 | 75.9 Ų | 75.9 | 14% | 0.142 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -51.6 | -178.1 | -174.6 | 0 | 0 | 0 | 0 | 113.4 | C314 A316 D317 R321 H332 H336 | C314-C319 HydrophobicContact CB-CB 4.42Å; C314-C319 VanDerWaalsContact SG-SG 3.63Å; A316-C319 HydrophobicContact CB-CB 4.17Å; A316-C319 WeakPolarHBondContact O-CB 3.18Å; A316-C319 PolarHBondContact O-N 3.42Å; D317-C319 PolarHBondContact O-N 3.23Å; D317-C319 VanDerWaalsContact O-N 3.15Å; C319-R321 PolarHBondContact O-N 3.17Å; C319-H332 PolarHBondContact SG-NE2 3.23Å; C319-H336 WeakPolarHBondContact CB-CE1 3.38Å; C319-H336 WeakPolarHBondContact CB-NE2 3.42Å; C319-H336 PolarHBondContact SG-CE1 3.04Å; C319-H336 PolarHBondContact SG-NE2 2.77Å |
| 320 | G | 86.7 | Confident | 90.4 | Very high | 63 Ų | 63 | 78.8 Ų | 78.8 | 65% | 0.649 | 43% | 0.43 | S | S | * | . | trans | 60.7 | 2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 321 | R | 90.4 | Very high | 90.4 | Very high | 156 Ų | 156 | 78.3 Ų | 78.3 | 59% | 0.589 | 43% | 0.428 | S | S | * | . | trans | -74.2 | 136.6 | -175 | -70.9 | -179.3 | 175.5 | -167.5 | -0.9 | 112 | C314 C319 F323 | C314-R321 HydrophobicContact CB-CB 4.43Å; C314-R321 VanDerWaalsContact CB-O 3.24Å; C314-R321 WeakPolarHBondContact CB-O 3.35Å; C314-R321 PolarHBondContact N-O 3.02Å; C319-R321 PolarHBondContact O-N 3.17Å; R321-F323 HydrophobicContact CB-CE2 3.84Å; R321-F323 HydrophobicContact CB-CZ 4.01Å | ||
| 322 | S | 91.8 | Very high | 90.5 | Very high | 41 Ų | 41 | 76 Ų | 76 | 29% | 0.287 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 150.3 | 176.7 | 63.1 | 0 | 0 | 0 | 0 | 112.6 | K310 F312 | K310-S322 WeakPolarHBondContact CB-OG 3.41Å; K310-S322 WeakPolarHBondContact CD-O 3.46Å; K310-S322 WeakPolarHBondContact CD-OG 3.41Å; F312-S322 CarbonylContact O-C 3.28Å; F312-S322 WeakPolarHBondContact O-CA 3.43Å |
| 323 | F | 90.8 | Very high | 90.4 | Very high | 42 Ų | 42 | 76.6 Ų | 76.6 | 18% | 0.184 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.7 | -172 | -59.3 | -90.4 | 0 | 0 | 0 | 111.7 | K310 F312 C314 R321 E325 L329 H332 | K310-F323 CarbonylContact C-O 3.59Å; K310-F323 VanDerWaalsContact C-O 3.28Å; K310-F323 VanDerWaalsContact CA-O 3.29Å; K310-F323 WeakPolarHBondContact CA-O 3.47Å; F312-F323 HydrophobicContact CB-CB 4.37Å; F312-F323 WeakPolarHBondContact CD2-O 3.37Å; F312-F323 PolarHBondContact N-O 2.92Å; F312-F323 VanDerWaalsContact N-O 3.14Å; F312-F323 PolarHBondContact O-N 3.36Å; C314-F323 HydrophobicContact CB-CE2 4.44Å; R321-F323 HydrophobicContact CB-CE2 3.84Å; R321-F323 HydrophobicContact CB-CZ 4.01Å; F323-E325 VanDerWaalsContact C-N 3.29Å; F323-L329 HydrophobicContact CB-CB 4.36Å; F323-L329 HydrophobicContact CD2-CB 3.97Å; F323-L329 HydrophobicContact CD2-CD1 3.85Å; F323-L329 HydrophobicContact CD2-CG 4.49Å; F323-L329 HydrophobicContact CE2-CD1 3.99Å; F323-L329 HydrophobicContact CG-CB 4.26Å; F323-H332 HydrophobicContact CE1-CB 4.01Å; F323-H332 HydrophobicContact CE2-CB 4.06Å; F323-H332 AromaticContact CE2-CD2 3.32Å; F323-H332 WeakPolarHBondContact CE2-CD2 3.49Å; F323-H332 AromaticContact CE2-CG 3.86Å; F323-H332 HydrophobicContact CZ-CB 3.53Å; F323-H332 AromaticContact CZ-CD2 3.27Å; F323-H332 WeakPolarHBondContact CZ-CD2 3.35Å; F323-H332 AromaticContact CZ-CG 3.36Å |
| 324 | A | 89.6 | Confident | 90.2 | Very high | 31 Ų | 31 | 73.1 Ų | 73.1 | 26% | 0.256 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -75.7 | -16.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R304 | R304-A324 HydrophobicContact CB-CB 4.05Å; R304-A324 VanDerWaalsContact CD-O 3.28Å; R304-A324 WeakPolarHBondContact CD-O 3.36Å; R304-A324 PolarHBondContact NH1-O 2.97Å |
| 325 | E | 89.9 | Confident | 90 | Very high | 81 Ų | 81 | 77.3 Ų | 77.3 | 38% | 0.379 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -139.1 | 136 | -178.5 | -161.5 | -164.3 | 144.1 | 0 | 0 | 111.9 | F323 S327 S328 L329 | F323-E325 VanDerWaalsContact C-N 3.29Å; E325-S327 VanDerWaalsContact C-N 3.29Å; E325-S327 PolarHBondContact O-N 3.38Å; E325-S327 VanDerWaalsContact OE1-CB 3.23Å; E325-S327 WeakPolarHBondContact OE1-CB 3.35Å; E325-S327 PolarHBondContact OE1-OG 2.87Å; E325-S328 WeakPolarHBondContact O-CB 3.37Å; E325-S328 PolarHBondContact O-N 3.3Å; E325-S328 VanDerWaalsContact O-N 3.1Å; E325-L329 PolarHBondContact O-N 3.47Å |
| 326 | Y | 89.5 | Confident | 89.8 | Confident | 124 Ų | 124 | 73 Ų | 73 | 49% | 0.486 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.4 | -33.1 | 178.6 | -178.1 | -105.9 | 0 | 0 | 0 | 113.5 | F312 S328 L329 R330 | F312-Y326 HydrophobicContact CD1-CD2 4.02Å; F312-Y326 HydrophobicContact CD1-CG 4.47Å; F312-Y326 HydrophobicContact CE1-CD2 4.34Å; F312-Y326 HydrophobicContact CE1-CG 4.49Å; F312-Y326 VanDerWaalsContact CE2-N 3.35Å; Y326-S328 VanDerWaalsContact C-N 3.26Å; Y326-S328 PolarHBondContact O-N 2.97Å; Y326-L329 HydrophobicContact CD2-CD2 4.38Å; Y326-L329 PolarHBondContact O-N 2.88Å; Y326-R330 HydrophobicContact CD1-CG 4.18Å; Y326-R330 HydrophobicContact CE1-CG 3.63Å; Y326-R330 HydrophobicContact CE2-CG 4.27Å; Y326-R330 PolarHBondContact O-N 2.93Å |
| 327 | S | 88.9 | Confident | 89.7 | Confident | 40 Ų | 40 | 74.9 Ų | 74.9 | 28% | 0.28 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.1 | -31 | 177 | 82.8 | 0 | 0 | 0 | 0 | 112.2 | E325 K331 | E325-S327 VanDerWaalsContact C-N 3.29Å; E325-S327 PolarHBondContact O-N 3.38Å; E325-S327 VanDerWaalsContact OE1-CB 3.23Å; E325-S327 WeakPolarHBondContact OE1-CB 3.35Å; E325-S327 PolarHBondContact OE1-OG 2.87Å; S327-K331 VanDerWaalsContact O-CG 3.29Å; S327-K331 WeakPolarHBondContact O-CG 3.19Å; S327-K331 PolarHBondContact O-N 2.82Å; S327-K331 VanDerWaalsContact O-N 3.09Å |
| 328 | S | 91.1 | Very high | 89.7 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 32% | 0.315 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -72.3 | -40.5 | 173.9 | -62.2 | 0 | 0 | 0 | 0 | 111.5 | E325 Y326 K331 H332 | E325-S328 WeakPolarHBondContact O-CB 3.37Å; E325-S328 PolarHBondContact O-N 3.3Å; E325-S328 VanDerWaalsContact O-N 3.1Å; Y326-S328 VanDerWaalsContact C-N 3.26Å; Y326-S328 PolarHBondContact O-N 2.97Å; S328-K331 PolarHBondContact O-N 3.23Å; S328-H332 WeakPolarHBondContact O-CB 3.42Å; S328-H332 PolarHBondContact O-N 3.48Å |
| 329 | L | 93.3 | Very high | 89.8 | Confident | 20 Ų | 20 | 70.1 Ų | 70.1 | 11% | 0.105 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 170.4 | 174.3 | 61.1 | 0 | 0 | 0 | 111.1 | F312 L313 C314 F323 E325 Y326 K331 H332 M333 | F312-L329 HydrophobicContact CB-CB 4.22Å; F312-L329 HydrophobicContact CB-CD2 3.93Å; L313-L329 VanDerWaalsContact O-CD2 3.27Å; L313-L329 WeakPolarHBondContact O-CD2 3.48Å; C314-L329 HydrophobicContact CB-CD1 3.88Å; F323-L329 HydrophobicContact CB-CB 4.36Å; F323-L329 HydrophobicContact CD2-CB 3.97Å; F323-L329 HydrophobicContact CD2-CD1 3.85Å; F323-L329 HydrophobicContact CD2-CG 4.49Å; F323-L329 HydrophobicContact CE2-CD1 3.99Å; F323-L329 HydrophobicContact CG-CB 4.26Å; E325-L329 PolarHBondContact O-N 3.47Å; Y326-L329 HydrophobicContact CD2-CD2 4.38Å; Y326-L329 PolarHBondContact O-N 2.88Å; L329-K331 VanDerWaalsContact C-N 3.34Å; L329-K331 PolarHBondContact O-N 2.93Å; L329-H332 CarbonylContact O-C 3.59Å; L329-H332 WeakPolarHBondContact O-CA 3.25Å; L329-H332 WeakPolarHBondContact O-CB 3.45Å; L329-H332 PolarHBondContact O-N 3.35Å; L329-M333 HydrophobicContact CD1-CG 4.33Å; L329-M333 HydrophobicContact CD1-SD 4.06Å; L329-M333 WeakPolarHBondContact O-CG 3.47Å; L329-M333 PolarHBondContact O-N 3.39Å |
| 330 | R | 90.4 | Very high | 89.7 | Confident | 165 Ų | 165 | 74.2 Ų | 74.2 | 62% | 0.623 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.2 | -39.8 | 178.6 | -73.6 | -147.3 | 72.6 | 163.8 | 3.1 | 113.4 | Y326 H332 M333 | Y326-R330 HydrophobicContact CD1-CG 4.18Å; Y326-R330 HydrophobicContact CE1-CG 3.63Å; Y326-R330 HydrophobicContact CE2-CG 4.27Å; Y326-R330 PolarHBondContact O-N 2.93Å; R330-H332 VanDerWaalsContact C-N 3.31Å; R330-M333 PolarHBondContact O-N 3.34Å |
| 331 | K | 89.4 | Confident | 89.8 | Confident | 106 Ų | 106 | 75 Ų | 75 | 46% | 0.461 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 173 | -70.7 | 165 | -172.2 | 166 | 0 | 112 | S327 S328 L329 L334 | S327-K331 VanDerWaalsContact O-CG 3.29Å; S327-K331 WeakPolarHBondContact O-CG 3.19Å; S327-K331 PolarHBondContact O-N 2.82Å; S327-K331 VanDerWaalsContact O-N 3.09Å; S328-K331 PolarHBondContact O-N 3.23Å; L329-K331 VanDerWaalsContact C-N 3.34Å; L329-K331 PolarHBondContact O-N 2.93Å; K331-L334 WeakPolarHBondContact O-CB 3.37Å; K331-L334 PolarHBondContact O-N 3.03Å |
| 332 | H | 91.7 | Very high | 89.8 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 7% | 0.074 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.5 | -36.2 | 175.8 | 172.9 | 47.3 | 0 | 0 | 0 | 112.5 | C319 F323 S328 L329 R330 L334 V335 H336 | C319-H332 PolarHBondContact SG-NE2 3.23Å; F323-H332 HydrophobicContact CE1-CB 4.01Å; F323-H332 HydrophobicContact CE2-CB 4.06Å; F323-H332 AromaticContact CE2-CD2 3.32Å; F323-H332 WeakPolarHBondContact CE2-CD2 3.49Å; F323-H332 AromaticContact CE2-CG 3.86Å; F323-H332 HydrophobicContact CZ-CB 3.53Å; F323-H332 AromaticContact CZ-CD2 3.27Å; F323-H332 WeakPolarHBondContact CZ-CD2 3.35Å; F323-H332 AromaticContact CZ-CG 3.36Å; S328-H332 WeakPolarHBondContact O-CB 3.42Å; S328-H332 PolarHBondContact O-N 3.48Å; L329-H332 CarbonylContact O-C 3.59Å; L329-H332 WeakPolarHBondContact O-CA 3.25Å; L329-H332 WeakPolarHBondContact O-CB 3.45Å; L329-H332 PolarHBondContact O-N 3.35Å; R330-H332 VanDerWaalsContact C-N 3.31Å; H332-L334 PolarHBondContact O-N 2.9Å; H332-L334 VanDerWaalsContact O-N 3.17Å; H332-V335 WeakPolarHBondContact O-CB 3.32Å; H332-V335 WeakPolarHBondContact O-CG2 3.44Å; H332-V335 PolarHBondContact O-N 2.95Å; H332-H336 AromaticContact CD2-NE2 3.34Å; H332-H336 PolarHBondContact CD2-NE2 2.62Å; H332-H336 VanDerWaalsContact CD2-NE2 3.34Å; H332-H336 AromaticContact CE1-NE2 2.9Å; H332-H336 PolarHBondContact CE1-NE2 2.93Å; H332-H336 AromaticContact ND1-NE2 3.95Å; H332-H336 AromaticContact NE2-CD2 3.95Å; H332-H336 AromaticContact NE2-NE2 2.39Å; H332-H336 PolarHBondContact NE2-NE2 3.49Å |
| 333 | M | 90.4 | Very high | 89.7 | Confident | 74 Ų | 74 | 71.6 Ų | 71.6 | 37% | 0.365 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.1 | -27.5 | 176.9 | -64.7 | -51.8 | -64.9 | 0 | 0 | 113.3 | A316 L329 R330 V335 H336 S337 | A316-M333 HydrophobicContact CB-CE 4.43Å; L329-M333 HydrophobicContact CD1-CG 4.33Å; L329-M333 HydrophobicContact CD1-SD 4.06Å; L329-M333 WeakPolarHBondContact O-CG 3.47Å; L329-M333 PolarHBondContact O-N 3.39Å; R330-M333 PolarHBondContact O-N 3.34Å; M333-V335 PolarHBondContact O-N 2.56Å; M333-H336 PolarHBondContact O-N 3.24Å; M333-S337 PolarHBondContact O-N 3.15Å; M333-S337 PolarHBondContact O-OG 3.27Å |
| 334 | L | 90.5 | Very high | 89.8 | Confident | 32 Ų | 32 | 69.7 Ų | 69.7 | 17% | 0.168 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.9 | -20.5 | 172.8 | -57.1 | 175 | 0 | 0 | 0 | 113.3 | K331 H332 S337 G338 E339 P341 S352 | K331-L334 WeakPolarHBondContact O-CB 3.37Å; K331-L334 PolarHBondContact O-N 3.03Å; H332-L334 PolarHBondContact O-N 2.9Å; H332-L334 VanDerWaalsContact O-N 3.17Å; L334-S337 WeakPolarHBondContact CA-OG 3.14Å; L334-G338 WeakPolarHBondContact O-CA 3.21Å; L334-G338 PolarHBondContact O-N 2.74Å; L334-G338 VanDerWaalsContact O-N 3.11Å; L334-E339 HydrophobicContact CD2-CB 3.98Å; L334-E339 WeakPolarHBondContact CD2-OE2 3.46Å; L334-E339 PolarHBondContact O-N 3.08Å; L334-P341 HydrophobicContact CD2-CG 4.39Å; L334-S352 VanDerWaalsContact CD1-O 3.28Å; L334-S352 WeakPolarHBondContact CD1-O 3.44Å |
| 335 | V | 88.1 | Confident | 89.7 | Confident | 97 Ų | 97 | 71.6 Ų | 71.6 | 59% | 0.588 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -73.2 | -33.4 | 173.2 | -175.7 | 0 | 0 | 0 | 0 | 110.9 | H332 M333 | H332-V335 WeakPolarHBondContact O-CB 3.32Å; H332-V335 WeakPolarHBondContact O-CG2 3.44Å; H332-V335 PolarHBondContact O-N 2.95Å; M333-V335 PolarHBondContact O-N 2.56Å |
| 336 | H | 88.6 | Confident | 89.6 | Confident | 94 Ų | 94 | 71.4 Ų | 71.4 | 44% | 0.435 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -82.2 | -38.5 | 178.6 | -63.1 | -61.3 | 0 | 0 | 0 | 112.4 | C314 C319 H332 M333 G338 | C314-H336 PolarHBondContact SG-NE2 3.14Å; C319-H336 WeakPolarHBondContact CB-CE1 3.38Å; C319-H336 WeakPolarHBondContact CB-NE2 3.42Å; C319-H336 PolarHBondContact SG-CE1 3.04Å; C319-H336 PolarHBondContact SG-NE2 2.77Å; H332-H336 AromaticContact CD2-NE2 3.34Å; H332-H336 PolarHBondContact CD2-NE2 2.62Å; H332-H336 VanDerWaalsContact CD2-NE2 3.34Å; H332-H336 AromaticContact CE1-NE2 2.9Å; H332-H336 PolarHBondContact CE1-NE2 2.93Å; H332-H336 AromaticContact ND1-NE2 3.95Å; H332-H336 AromaticContact NE2-CD2 3.95Å; H332-H336 AromaticContact NE2-NE2 2.39Å; H332-H336 PolarHBondContact NE2-NE2 3.49Å; M333-H336 PolarHBondContact O-N 3.24Å; H336-G338 VanDerWaalsContact C-N 3.28Å; H336-G338 PolarHBondContact O-N 3.14Å |
| 337 | S | 87 | Confident | 89.6 | Confident | 64 Ų | 64 | 68 Ų | 68 | 45% | 0.448 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -75.5 | -16.1 | 174.1 | 62.3 | 0 | 0 | 0 | 0 | 113.4 | M333 L334 E339 | M333-S337 PolarHBondContact O-N 3.15Å; M333-S337 PolarHBondContact O-OG 3.27Å; L334-S337 WeakPolarHBondContact CA-OG 3.14Å; S337-E339 PolarHBondContact O-N 3.12Å; S337-E339 WeakPolarHBondContact OG-CB 3.22Å; S337-E339 VanDerWaalsContact OG-CD 3.3Å; S337-E339 VanDerWaalsContact OG-CG 3.3Å; S337-E339 WeakPolarHBondContact OG-CG 3.13Å; S337-E339 PolarHBondContact OG-N 2.76Å; S337-E339 PolarHBondContact OG-OE2 3.37Å |
| 338 | G | 87.8 | Confident | 89.6 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 51% | 0.505 | 39% | 0.393 | S | S | . | . | trans | 70.3 | 0.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L334 H336 | L334-G338 WeakPolarHBondContact O-CA 3.21Å; L334-G338 PolarHBondContact O-N 2.74Å; L334-G338 VanDerWaalsContact O-N 3.11Å; H336-G338 VanDerWaalsContact C-N 3.28Å; H336-G338 PolarHBondContact O-N 3.14Å | ||
| 339 | E | 88.5 | Confident | 89.5 | Confident | 111 Ų | 111 | 71.6 Ų | 71.6 | 52% | 0.519 | 40% | 0.401 | S | S | . | . | trans | -61.7 | 135.8 | -177.2 | -72.1 | 168.9 | 148.2 | 0 | 0 | 111.7 | L334 S337 | L334-E339 HydrophobicContact CD2-CB 3.98Å; L334-E339 WeakPolarHBondContact CD2-OE2 3.46Å; L334-E339 PolarHBondContact O-N 3.08Å; S337-E339 PolarHBondContact O-N 3.12Å; S337-E339 WeakPolarHBondContact OG-CB 3.22Å; S337-E339 VanDerWaalsContact OG-CD 3.3Å; S337-E339 VanDerWaalsContact OG-CG 3.3Å; S337-E339 WeakPolarHBondContact OG-CG 3.13Å; S337-E339 PolarHBondContact OG-N 2.76Å; S337-E339 PolarHBondContact OG-OE2 3.37Å | ||
| 340 | K | 88.5 | Confident | 89.4 | Confident | 107 Ų | 107 | 73.2 Ų | 73.2 | 47% | 0.465 | 41% | 0.412 | S | S | . | . | trans | -127.3 | 72.1 | 179.1 | -68.6 | 174.2 | -172.1 | 169.3 | 0 | 111.1 | H342 T350 F351 | K340-H342 PolarHBondContact O-N 3.2Å; K340-T350 WeakPolarHBondContact CD-OG1 3.32Å; K340-F351 CarbonylContact C-O 3.56Å; K340-F351 WeakPolarHBondContact CA-O 3.5Å | ||
| 341 | P | 88.7 | Confident | 89.3 | Confident | 79 Ų | 79 | 67.4 Ų | 67.4 | 51% | 0.513 | 39% | 0.392 | S | S | . | . | trans | -68.1 | -10.9 | -167.7 | -20.2 | 34 | 0 | 0 | 0 | 115.3 | L334 | L334-P341 HydrophobicContact CD2-CG 4.39Š| ||
| 342 | H | 90.9 | Very high | 89.2 | Confident | 60 Ų | 60 | 64.3 Ų | 64.3 | 28% | 0.278 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 103.6 | -173.9 | -58.5 | -70.5 | 0 | 0 | 0 | 110.7 | K340 T350 F351 S354 R357 | K340-H342 PolarHBondContact O-N 3.2Å; H342-T350 CarbonylContact O-C 3.57Å; H342-F351 HydrophobicContact CB-CB 4.35Å; H342-F351 WeakPolarHBondContact CB-O 3.25Å; H342-F351 PolarHBondContact N-O 3.15Å; H342-F351 WeakPolarHBondContact O-CD2 3.3Å; H342-F351 PolarHBondContact O-N 3.04Å; H342-S354 PolarHBondContact CD2-N 3.32Å; H342-S354 PolarHBondContact NE2-N 3.07Å; H342-R357 HydrophobicContact CB-CB 4.04Å; H342-R357 HydrophobicContact CB-CG 4.24Å |
| 343 | V | 90.9 | Very high | 89.1 | Confident | 67 Ų | 67 | 67.9 Ų | 67.9 | 41% | 0.406 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 144.5 | 179.2 | -163.6 | 0 | 0 | 0 | 0 | 110.5 | G348 K349 T350 R357 | V343-G348 WeakPolarHBondContact CG1-O 3.41Å; V343-K349 CarbonylContact C-O 3.58Å; V343-T350 HydrophobicContact CG1-CG2 4.42Å; V343-T350 HydrophobicContact CG2-CG2 4.25Å; V343-R357 PolarHBondContact O-NH1 2.85Å |
| 344 | C | 90.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.007 | 40% | 0.401 | C | S | . | . | trans | -77.4 | 114.5 | 162 | 170.7 | 0 | 0 | 0 | 0 | 108.9 | I346 C347 G348 K349 F351 H360 M361 | C344-I346 PolarHBondContact O-N 3.23Å; C344-I346 VanDerWaalsContact O-N 3.13Å; C344-I346 PolarHBondContact SG-N 3.38Å; C344-C347 PolarHBondContact SG-N 3.33Å; C344-C347 PolarHBondContact SG-SG 3.09Å; C344-G348 VanDerWaalsContact O-CA 3.32Å; C344-G348 WeakPolarHBondContact O-CA 3.32Å; C344-G348 PolarHBondContact O-N 3.47Å; C344-K349 HydrophobicContact CB-CB 4.36Å; C344-K349 WeakPolarHBondContact CB-O 3.41Å; C344-K349 PolarHBondContact N-O 3.46Å; C344-F351 HydrophobicContact CB-CE2 4.29Å; C344-H360 PolarHBondContact SG-NE2 3.43Å; C344-M361 HydrophobicContact CB-SD 3.85Å; C344-M361 PolarHBondContact SG-SD 2.78Å | ||
| 345 | G | 88.2 | Confident | 89.1 | Confident | 72 Ų | 72 | 67.5 Ų | 67.5 | 74% | 0.742 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -12.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 346 | I | 87.6 | Confident | 89.2 | Confident | 76 Ų | 76 | 65.5 Ų | 65.5 | 39% | 0.39 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -42.6 | -177.9 | -60.3 | 173.9 | 0 | 0 | 0 | 112.2 | C344 M361 H365 E368 | C344-I346 PolarHBondContact O-N 3.23Å; C344-I346 VanDerWaalsContact O-N 3.13Å; C344-I346 PolarHBondContact SG-N 3.38Å; I346-M361 HydrophobicContact CB-CE 4.44Å; I346-M361 HydrophobicContact CD1-CE 3.77Å; I346-M361 HydrophobicContact CG1-CE 3.99Å; I346-H365 HydrophobicContact CD1-CB 3.68Å; I346-H365 WeakPolarHBondContact CG2-ND1 3.42Å; I346-E368 HydrophobicContact CD1-CB 4.45Å |
| 347 | C | 90.8 | Very high | 89.4 | Confident | 52 Ų | 52 | 62.7 Ų | 62.7 | 35% | 0.351 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 13.8 | -177.4 | 74.4 | 0 | 0 | 0 | 0 | 115 | C344 K349 H360 H365 | C344-C347 PolarHBondContact SG-N 3.33Å; C344-C347 PolarHBondContact SG-SG 3.09Å; C347-K349 PolarHBondContact O-N 3.09Å; C347-H360 PolarHBondContact SG-NE2 2.75Å; C347-H365 PolarHBondContact SG-NE2 2.84Å; C347-H365 VanDerWaalsContact SG-NE2 3.37Å |
| 348 | G | 88 | Confident | 89.6 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 50% | 0.495 | 38% | 0.381 | S | S | . | . | trans | 67.8 | -2.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | V343 C344 T350 | V343-G348 WeakPolarHBondContact CG1-O 3.41Å; C344-G348 VanDerWaalsContact O-CA 3.32Å; C344-G348 WeakPolarHBondContact O-CA 3.32Å; C344-G348 PolarHBondContact O-N 3.47Å; G348-T350 PolarHBondContact O-N 2.87Å | ||
| 349 | K | 88.6 | Confident | 89.8 | Confident | 113 Ų | 113 | 62.6 Ų | 62.6 | 49% | 0.491 | 38% | 0.375 | S | S | . | . | trans | -65.6 | 129.2 | -175.8 | -73 | -179.8 | -177.6 | 175.5 | 0 | 111.7 | V343 C344 C347 F351 | V343-K349 CarbonylContact C-O 3.58Å; C344-K349 HydrophobicContact CB-CB 4.36Å; C344-K349 WeakPolarHBondContact CB-O 3.41Å; C344-K349 PolarHBondContact N-O 3.46Å; C347-K349 PolarHBondContact O-N 3.09Å; K349-F351 HydrophobicContact CB-CE2 3.88Å; K349-F351 HydrophobicContact CB-CZ 4.06Å; K349-F351 WeakPolarHBondContact O-CD2 3.46Å; K349-F351 WeakPolarHBondContact O-CE2 3.33Å | ||
| 350 | T | 90.7 | Very high | 89.9 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 34% | 0.337 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 141.7 | -175.9 | 63.1 | 0 | 0 | 0 | 0 | 111.9 | K340 H342 V343 G348 | K340-T350 WeakPolarHBondContact CD-OG1 3.32Å; H342-T350 CarbonylContact O-C 3.57Å; V343-T350 HydrophobicContact CG1-CG2 4.42Å; V343-T350 HydrophobicContact CG2-CG2 4.25Å; G348-T350 PolarHBondContact O-N 2.87Å |
| 351 | F | 89.4 | Confident | 89.8 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 143.9 | -178.7 | -57.9 | -91.3 | 0 | 0 | 0 | 110.9 | K340 H342 C344 K349 Q353 R357 H360 | K340-F351 CarbonylContact C-O 3.56Å; K340-F351 WeakPolarHBondContact CA-O 3.5Å; H342-F351 HydrophobicContact CB-CB 4.35Å; H342-F351 WeakPolarHBondContact CB-O 3.25Å; H342-F351 PolarHBondContact N-O 3.15Å; H342-F351 WeakPolarHBondContact O-CD2 3.3Å; H342-F351 PolarHBondContact O-N 3.04Å; C344-F351 HydrophobicContact CB-CE2 4.29Å; K349-F351 HydrophobicContact CB-CE2 3.88Å; K349-F351 HydrophobicContact CB-CZ 4.06Å; K349-F351 WeakPolarHBondContact O-CD2 3.46Å; K349-F351 WeakPolarHBondContact O-CE2 3.33Å; F351-Q353 PolarHBondContact O-N 3.09Å; F351-R357 HydrophobicContact CB-CB 4.03Å; F351-R357 HydrophobicContact CD2-CB 3.58Å; F351-R357 HydrophobicContact CD2-CG 3.62Å; F351-R357 HydrophobicContact CE2-CB 4.3Å; F351-R357 HydrophobicContact CE2-CG 4.13Å; F351-R357 HydrophobicContact CG-CB 3.9Å; F351-R357 HydrophobicContact CG-CG 4.43Å; F351-H360 HydrophobicContact CE1-CB 3.9Å; F351-H360 HydrophobicContact CE2-CB 4.14Å; F351-H360 AromaticContact CE2-CD2 3.61Å; F351-H360 AromaticContact CE2-CG 3.89Å; F351-H360 HydrophobicContact CZ-CB 3.47Å; F351-H360 VanDerWaalsContact CZ-CB 3.47Å; F351-H360 AromaticContact CZ-CD2 3.52Å; F351-H360 AromaticContact CZ-CG 3.31Å; F351-H360 AromaticContact CZ-ND1 3.85Å |
| 352 | S | 87.8 | Confident | 89.9 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 28% | 0.28 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -75.8 | -9.6 | 173.9 | 54.6 | 0 | 0 | 0 | 0 | 113.7 | L334 | L334-S352 VanDerWaalsContact CD1-O 3.28Å; L334-S352 WeakPolarHBondContact CD1-O 3.44Å |
| 353 | Q | 88.8 | Confident | 89.9 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 43% | 0.425 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -141.6 | 135.5 | 178.5 | -58.5 | -174.7 | 40 | 0 | 0 | 111.6 | F351 G355 S356 R357 | F351-Q353 PolarHBondContact O-N 3.09Å; Q353-G355 VanDerWaalsContact C-N 3.27Å; Q353-G355 PolarHBondContact O-N 3.46Å; Q353-S356 WeakPolarHBondContact O-CB 3.47Å; Q353-S356 PolarHBondContact O-N 3.06Å; Q353-S356 VanDerWaalsContact O-N 3.15Å; Q353-R357 PolarHBondContact O-N 2.91Å; Q353-R357 VanDerWaalsContact O-N 3.11Å |
| 354 | S | 90.6 | Very high | 89.8 | Confident | 56 Ų | 56 | 66.4 Ų | 66.4 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.2 | -36.2 | 176.4 | 56.5 | 0 | 0 | 0 | 0 | 112.7 | H342 S356 R357 N358 | H342-S354 PolarHBondContact CD2-N 3.32Å; H342-S354 PolarHBondContact NE2-N 3.07Å; S354-S356 VanDerWaalsContact C-N 3.34Å; S354-S356 PolarHBondContact O-N 3.48Å; S354-R357 WeakPolarHBondContact O-CB 3.29Å; S354-R357 PolarHBondContact O-N 3.45Å; S354-N358 WeakPolarHBondContact O-CB 3.49Å; S354-N358 VanDerWaalsContact O-CG 3.23Å; S354-N358 PolarHBondContact O-N 3.48Å; S354-N358 PolarHBondContact O-OD1 2.73Å |
| 355 | G | 89.8 | Confident | 89.6 | Confident | 42 Ų | 42 | 68.1 Ų | 68.1 | 43% | 0.433 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q353 N358 V359 | Q353-G355 VanDerWaalsContact C-N 3.27Å; Q353-G355 PolarHBondContact O-N 3.46Å; G355-N358 PolarHBondContact O-N 2.8Å; G355-V359 WeakPolarHBondContact O-CG2 3.38Å; G355-V359 PolarHBondContact O-N 2.86Å |
| 356 | S | 90.9 | Very high | 89.2 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 39% | 0.385 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 176 | -54 | 0 | 0 | 0 | 0 | 111.7 | Q353 S354 V359 H360 | Q353-S356 WeakPolarHBondContact O-CB 3.47Å; Q353-S356 PolarHBondContact O-N 3.06Å; Q353-S356 VanDerWaalsContact O-N 3.15Å; S354-S356 VanDerWaalsContact C-N 3.34Å; S354-S356 PolarHBondContact O-N 3.48Å; S356-V359 PolarHBondContact O-N 3.14Å; S356-H360 WeakPolarHBondContact O-CB 3.31Å; S356-H360 PolarHBondContact O-N 3.03Å |
| 357 | R | 93.8 | Very high | 88.1 | Confident | 35 Ų | 35 | 71.4 Ų | 71.4 | 13% | 0.132 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 173 | -168.9 | -87 | -59.8 | -106.9 | 10.5 | 110.9 | H342 V343 F351 Q353 S354 H360 M361 D373 | H342-R357 HydrophobicContact CB-CB 4.04Å; H342-R357 HydrophobicContact CB-CG 4.24Å; V343-R357 PolarHBondContact O-NH1 2.85Å; F351-R357 HydrophobicContact CB-CB 4.03Å; F351-R357 HydrophobicContact CD2-CB 3.58Å; F351-R357 HydrophobicContact CD2-CG 3.62Å; F351-R357 HydrophobicContact CE2-CB 4.3Å; F351-R357 HydrophobicContact CE2-CG 4.13Å; F351-R357 HydrophobicContact CG-CB 3.9Å; F351-R357 HydrophobicContact CG-CG 4.43Å; Q353-R357 PolarHBondContact O-N 2.91Å; Q353-R357 VanDerWaalsContact O-N 3.11Å; S354-R357 WeakPolarHBondContact O-CB 3.29Å; S354-R357 PolarHBondContact O-N 3.45Å; R357-H360 CarbonylContact O-C 3.43Å; R357-H360 WeakPolarHBondContact O-CA 3.38Å; R357-H360 WeakPolarHBondContact O-CB 3.38Å; R357-H360 PolarHBondContact O-N 3.17Å; R357-H360 VanDerWaalsContact O-N 3.15Å; R357-M361 VanDerWaalsContact O-CG 3.31Å; R357-M361 WeakPolarHBondContact O-CG 3.4Å; R357-M361 PolarHBondContact O-N 2.83Å; R357-D373 IonicContact CZ-OD1 3.31Å; R357-D373 IonicContact CZ-OD2 2.87Å; R357-D373 VanDerWaalsContact CZ-OD2 3.31Å; R357-D373 IonicContact NE-OD2 3.69Å; R357-D373 IonicContact NH1-OD1 3.78Å; R357-D373 PolarHBondContact NH1-OD1 3.39Å; R357-D373 IonicContact NH2-OD1 2.84Å; R357-D373 PolarHBondContact NH2-OD1 3.49Å; R357-D373 IonicContact NH2-OD2 3.72Å; R357-D373 PolarHBondContact NH2-OD2 3.24Å |
| 358 | N | 90.5 | Very high | 86.9 | Confident | 48 Ų | 48 | 76.1 Ų | 76.1 | 26% | 0.257 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.4 | -33.8 | -178 | -66.9 | 21.8 | 0 | 0 | 0 | 112.8 | S354 G355 H360 M361 R362 | S354-N358 WeakPolarHBondContact O-CB 3.49Å; S354-N358 VanDerWaalsContact O-CG 3.23Å; S354-N358 PolarHBondContact O-N 3.48Å; S354-N358 PolarHBondContact O-OD1 2.73Å; G355-N358 PolarHBondContact O-N 2.8Å; N358-H360 VanDerWaalsContact C-N 3.34Å; N358-M361 PolarHBondContact O-N 2.95Å; N358-R362 PolarHBondContact O-N 3.48Å |
| 359 | V | 90.9 | Very high | 85.4 | Confident | 63 Ų | 63 | 73.9 Ų | 73.9 | 38% | 0.382 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.5 | -39.6 | 169.7 | 170 | 0 | 0 | 0 | 0 | 110.7 | G355 S356 K363 | G355-V359 WeakPolarHBondContact O-CG2 3.38Å; G355-V359 PolarHBondContact O-N 2.86Å; S356-V359 PolarHBondContact O-N 3.14Å; V359-K363 HydrophobicContact CG1-CD 4.02Å; V359-K363 HydrophobicContact CG1-CG 4.42Å; V359-K363 VanDerWaalsContact O-CB 3.3Å; V359-K363 WeakPolarHBondContact O-CB 3.38Å; V359-K363 WeakPolarHBondContact O-CG 3.49Å; V359-K363 PolarHBondContact O-N 2.95Å |
| 360 | H | 90.6 | Very high | 84 | Confident | 23 Ų | 23 | 72.7 Ų | 72.7 | 11% | 0.106 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 172.6 | 161.7 | 80.5 | 0 | 0 | 0 | 111.9 | C344 C347 F351 S356 R357 N358 R362 K363 R364 H365 | C344-H360 PolarHBondContact SG-NE2 3.43Å; C347-H360 PolarHBondContact SG-NE2 2.75Å; F351-H360 HydrophobicContact CE1-CB 3.9Å; F351-H360 HydrophobicContact CE2-CB 4.14Å; F351-H360 AromaticContact CE2-CD2 3.61Å; F351-H360 AromaticContact CE2-CG 3.89Å; F351-H360 HydrophobicContact CZ-CB 3.47Å; F351-H360 VanDerWaalsContact CZ-CB 3.47Å; F351-H360 AromaticContact CZ-CD2 3.52Å; F351-H360 AromaticContact CZ-CG 3.31Å; F351-H360 AromaticContact CZ-ND1 3.85Å; S356-H360 WeakPolarHBondContact O-CB 3.31Å; S356-H360 PolarHBondContact O-N 3.03Å; R357-H360 CarbonylContact O-C 3.43Å; R357-H360 WeakPolarHBondContact O-CA 3.38Å; R357-H360 WeakPolarHBondContact O-CB 3.38Å; R357-H360 PolarHBondContact O-N 3.17Å; R357-H360 VanDerWaalsContact O-N 3.15Å; N358-H360 VanDerWaalsContact C-N 3.34Å; H360-R362 PolarHBondContact O-N 3.3Å; H360-K363 PolarHBondContact O-N 2.98Å; H360-R364 WeakPolarHBondContact O-CB 3.39Å; H360-R364 PolarHBondContact O-N 3.24Å; H360-H365 AromaticContact CE1-NE2 3.93Å; H360-H365 AromaticContact NE2-CD2 3.84Å; H360-H365 AromaticContact NE2-NE2 3.51Å |
| 361 | M | 88.2 | Confident | 82.3 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.02 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -51.9 | -55.3 | 175.6 | -59.9 | -44.9 | -73.1 | 0 | 0 | 110.6 | C344 I346 R357 N358 K363 R364 H365 G366 G369 | C344-M361 HydrophobicContact CB-SD 3.85Å; C344-M361 PolarHBondContact SG-SD 2.78Å; I346-M361 HydrophobicContact CB-CE 4.44Å; I346-M361 HydrophobicContact CD1-CE 3.77Å; I346-M361 HydrophobicContact CG1-CE 3.99Å; R357-M361 VanDerWaalsContact O-CG 3.31Å; R357-M361 WeakPolarHBondContact O-CG 3.4Å; R357-M361 PolarHBondContact O-N 2.83Å; N358-M361 PolarHBondContact O-N 2.95Å; M361-K363 VanDerWaalsContact C-N 3.33Å; M361-K363 PolarHBondContact O-N 3.26Å; M361-R364 PolarHBondContact O-N 3.01Å; M361-H365 CarbonylContact O-C 3.58Å; M361-H365 WeakPolarHBondContact O-CA 3.43Å; M361-H365 WeakPolarHBondContact O-CB 3.26Å; M361-H365 PolarHBondContact O-N 3.35Å; M361-G366 PolarHBondContact O-N 3.08Å; M361-G369 WeakPolarHBondContact CB-O 3.28Å; M361-G369 VanDerWaalsContact CE-O 3.27Å; M361-G369 WeakPolarHBondContact CE-O 3.49Å; M361-G369 WeakPolarHBondContact CG-O 3.41Å |
| 362 | R | 90.1 | Very high | 80.6 | Confident | 140 Ų | 140 | 74.9 Ų | 74.9 | 53% | 0.528 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.4 | -38.9 | -179.3 | -165.5 | -170.2 | -55.1 | 103.6 | 3 | 113.1 | N358 H360 | N358-R362 PolarHBondContact O-N 3.48Å; H360-R362 PolarHBondContact O-N 3.3Å |
| 363 | K | 91.2 | Very high | 78.9 | Confident | 163 Ų | 163 | 76.7 Ų | 76.7 | 71% | 0.709 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -82.6 | -20.4 | -176.7 | -74.7 | -171.1 | 176.2 | -168.7 | 0 | 114.7 | V359 H360 M361 | V359-K363 HydrophobicContact CG1-CD 4.02Å; V359-K363 HydrophobicContact CG1-CG 4.42Å; V359-K363 VanDerWaalsContact O-CB 3.3Å; V359-K363 WeakPolarHBondContact O-CB 3.38Å; V359-K363 WeakPolarHBondContact O-CG 3.49Å; V359-K363 PolarHBondContact O-N 2.95Å; H360-K363 PolarHBondContact O-N 2.98Å; M361-K363 VanDerWaalsContact C-N 3.33Å; M361-K363 PolarHBondContact O-N 3.26Å |
| 364 | R | 88.9 | Confident | 76.9 | Confident | 175 Ų | 175 | 75.5 Ų | 75.5 | 66% | 0.66 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -122.2 | -18.9 | -172.6 | -59.7 | -58.7 | -178.2 | 91.5 | -2.3 | 114.4 | H360 M361 | H360-R364 WeakPolarHBondContact O-CB 3.39Å; H360-R364 PolarHBondContact O-N 3.24Å; M361-R364 PolarHBondContact O-N 3.01Å |
| 365 | H | 86.8 | Confident | 74.5 | Confident | 36 Ų | 36 | 83.7 Ų | 83.7 | 17% | 0.167 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -132.5 | 9.4 | -177.4 | -55.2 | -62.5 | 0 | 0 | 0 | 112.7 | I346 C347 H360 M361 E367 E368 G369 | I346-H365 HydrophobicContact CD1-CB 3.68Å; I346-H365 WeakPolarHBondContact CG2-ND1 3.42Å; C347-H365 PolarHBondContact SG-NE2 2.84Å; C347-H365 VanDerWaalsContact SG-NE2 3.37Å; H360-H365 AromaticContact CE1-NE2 3.93Å; H360-H365 AromaticContact NE2-CD2 3.84Å; H360-H365 AromaticContact NE2-NE2 3.51Å; M361-H365 CarbonylContact O-C 3.58Å; M361-H365 WeakPolarHBondContact O-CA 3.43Å; M361-H365 WeakPolarHBondContact O-CB 3.26Å; M361-H365 PolarHBondContact O-N 3.35Å; H365-E367 PolarHBondContact O-N 3.1Å; H365-E368 PolarHBondContact O-N 3.48Å; H365-G369 PolarHBondContact O-N 3.41Å |
| 366 | G | 79.6 | Confident | 72 | Confident | 39 Ų | 39 | 90.8 Ų | 90.8 | 40% | 0.402 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | -128.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | M361 | M361-G366 PolarHBondContact O-N 3.08Š|
| 367 | E | 64 | Low | 69.3 | Low | 179 Ų | 179 | 95.5 Ų | 95.5 | 84% | 0.836 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -36.9 | 179.3 | -59.4 | -167.5 | 141.9 | 0 | 0 | 112.6 | H365 G369 L370 | H365-E367 PolarHBondContact O-N 3.1Å; E367-G369 PolarHBondContact O-N 3.03Å; E367-L370 PolarHBondContact O-N 3.04Å; E367-L370 VanDerWaalsContact O-N 3.09Å |
| 368 | E | 64.8 | Low | 66.6 | Low | 150 Ų | 150 | 97.1 Ų | 97.1 | 70% | 0.701 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -54.9 | -37.6 | 176.5 | -56.6 | 179.9 | 152.9 | 0 | 0 | 111.4 | I346 H365 L370 A371 | I346-E368 HydrophobicContact CD1-CB 4.45Å; H365-E368 PolarHBondContact O-N 3.48Å; E368-L370 VanDerWaalsContact C-N 3.26Å; E368-L370 PolarHBondContact O-N 2.8Å; E368-A371 PolarHBondContact O-N 3.34Å |
| 369 | G | 57.6 | Low | 63.6 | Low | 1 Ų | 1 | 103.1 Ų | 103.1 | 1% | 0.01 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -68.5 | -13.9 | -179 | 0 | 0 | 0 | 0 | 0 | 116.4 | M361 H365 E367 | M361-G369 WeakPolarHBondContact CB-O 3.28Å; M361-G369 VanDerWaalsContact CE-O 3.27Å; M361-G369 WeakPolarHBondContact CE-O 3.49Å; M361-G369 WeakPolarHBondContact CG-O 3.41Å; H365-G369 PolarHBondContact O-N 3.41Å; E367-G369 PolarHBondContact O-N 3.03Å |
| 370 | L | 58.4 | Low | 60.8 | Low | 89 Ų | 89 | 105 Ų | 105 | 47% | 0.466 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -98.9 | -24.1 | 179.3 | -66.6 | 171.9 | 0 | 0 | 0 | 112.8 | E367 E368 | E367-L370 PolarHBondContact O-N 3.04Å; E367-L370 VanDerWaalsContact O-N 3.09Å; E368-L370 VanDerWaalsContact C-N 3.26Å; E368-L370 PolarHBondContact O-N 2.8Å |
| 371 | A | 56.4 | Low | 58.1 | Low | 83 Ų | 83 | 110.8 Ų | 110.8 | 69% | 0.686 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -74.5 | -31.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E368 D373 G374 | E368-A371 PolarHBondContact O-N 3.34Å; A371-D373 VanDerWaalsContact C-N 3.26Å; A371-D373 PolarHBondContact O-N 3.31Å; A371-G374 PolarHBondContact O-N 3.49Å |
| 372 | A | 53.7 | Low | 55.5 | Low | 61 Ų | 61 | 116.8 Ų | 116.8 | 50% | 0.504 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -66 | -21.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G374 | A372-G374 PolarHBondContact O-N 2.93Š|
| 373 | D | 50.8 | Low | 52.8 | Low | 77 Ų | 77 | 118.1 Ų | 118.1 | 41% | 0.412 | 65% | 0.65 | S | S | . | * | G | 310 helix | trans | -77.5 | 1.2 | -177.3 | -119.7 | -0.7 | 0 | 0 | 0 | 113.6 | R357 A371 | R357-D373 IonicContact CZ-OD1 3.31Å; R357-D373 IonicContact CZ-OD2 2.87Å; R357-D373 VanDerWaalsContact CZ-OD2 3.31Å; R357-D373 IonicContact NE-OD2 3.69Å; R357-D373 IonicContact NH1-OD1 3.78Å; R357-D373 PolarHBondContact NH1-OD1 3.39Å; R357-D373 IonicContact NH2-OD1 2.84Å; R357-D373 PolarHBondContact NH2-OD1 3.49Å; R357-D373 IonicContact NH2-OD2 3.72Å; R357-D373 PolarHBondContact NH2-OD2 3.24Å; A371-D373 VanDerWaalsContact C-N 3.26Å; A371-D373 PolarHBondContact O-N 3.31Å |
| 374 | G | 46.6 | Very low | 50 | Low | 67 Ų | 67 | 115.3 Ų | 115.3 | 69% | 0.691 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -87.6 | -7.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 117 | A371 A372 | A371-G374 PolarHBondContact O-N 3.49Å; A372-G374 PolarHBondContact O-N 2.93Å |
| 375 | R | 41.4 | Very low | 47.3 | Very low | 227 Ų | 227 | 112.8 Ų | 112.8 | 86% | 0.857 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -145.5 | 85.2 | 178.8 | -77.6 | -170.5 | 174.5 | 95.5 | -3.9 | 111.6 | ||
| 376 | E | 37.6 | Very low | 44.7 | Very low | 192 Ų | 192 | 118.3 Ų | 118.3 | 90% | 0.897 | 69% | 0.69 | S | S | * | * | trans | -170.9 | 68.9 | 159.1 | -110 | 156.2 | -140.7 | 0 | 0 | 110.9 | G378 | E376-G378 PolarHBondContact O-N 3.44Å; E376-G378 VanDerWaalsContact O-N 3.16Å | ||
| 377 | T | 32.5 | Very low | 42.4 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 95% | 0.945 | 71% | 0.711 | S | S | * | * | trans | -82.8 | 86 | 167.3 | 52 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 378 | G | 37.3 | Very low | 40.8 | Very low | 69 Ų | 69 | 123.9 Ų | 123.9 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | trans | 106.2 | 66 | 148.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | E376 | E376-G378 PolarHBondContact O-N 3.44Å; E376-G378 VanDerWaalsContact O-N 3.16Å | ||
| 379 | E | 28.7 | Very low | 39.2 | Very low | 174 Ų | 174 | 121.5 Ų | 121.5 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | trans | -117.7 | 111.4 | 145.9 | -67.2 | -162.3 | 145.4 | 0 | 0 | 109.5 | L381 | E379-L381 VanDerWaalsContact C-N 3.28Å; E379-L381 PolarHBondContact O-N 3.43Å | ||
| 380 | A | 32 | Very low | 37.7 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | -79.3 | 84 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | T382 | A380-T382 PolarHBondContact O-N 3.35Š| ||
| 381 | L | 33.7 | Very low | 36.3 | Very low | 146 Ų | 146 | 128.7 Ų | 128.7 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | trans | -61.8 | 102.9 | 172.8 | -67.5 | 178.7 | 0 | 0 | 0 | 109 | E379 Q383 | E379-L381 VanDerWaalsContact C-N 3.28Å; E379-L381 PolarHBondContact O-N 3.43Å; L381-Q383 PolarHBondContact O-N 3.4Å | ||
| 382 | T | 32.6 | Very low | 34.9 | Very low | 129 Ų | 129 | 133.9 Ų | 133.9 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | -65 | 102.4 | 171.9 | 47.6 | 0 | 0 | 0 | 0 | 108.6 | A380 S384 | A380-T382 PolarHBondContact O-N 3.35Å; T382-S384 PolarHBondContact O-N 3.3Å | ||
| 383 | Q | 34.5 | Very low | 33.7 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -68.8 | 102.5 | 172.1 | -82 | -171.7 | -38.6 | 0 | 0 | 110 | L381 | L381-Q383 PolarHBondContact O-N 3.4Š| ||
| 384 | S | 32.9 | Very low | 32.4 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | trans | -114.7 | 144.4 | 155 | -72.1 | 0 | 0 | 0 | 0 | 108.5 | T382 | T382-S384 PolarHBondContact O-N 3.3Š| ||
| 385 | S | 32 | Very low | 31.4 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | 81.6 | 108.1 | 175.3 | -52.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 386 | L | 31.9 | Very low | 30.5 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 80% | 0.801 | 82% | 0.823 | S | S | * | * | trans | -44.7 | 159.7 | 150.9 | -101.3 | 67.7 | 0 | 0 | 0 | 113 | ||||
| 387 | L | 30.5 | Very low | 29.8 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | -166.5 | 172 | 105.1 | -93.3 | 172.7 | 0 | 0 | 0 | 111 | |||||
| 388 | E | 31.6 | Very low | 29.4 | Very low | 174 Ų | 174 | 129.5 Ų | 129.5 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -87.6 | 160.9 | -153.6 | -53.7 | 170.7 | 133.6 | 0 | 0 | 115.5 | ||||
| 389 | A | 30.3 | Very low | 28.8 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | -173.4 | 128.1 | 135.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 390 | D | 27.4 | Very low | 28.6 | Very low | 171 Ų | 171 | 131.2 Ų | 131.2 | 91% | 0.914 | 81% | 0.809 | S | S | * | * | trans | -78.5 | 174.9 | 162.3 | -65.6 | -69 | 0 | 0 | 0 | 111.6 | ||||
| 391 | G | 27 | Very low | 28.3 | Very low | 70 Ų | 70 | 132.7 Ų | 132.7 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 120.7 | 95.8 | 150.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 392 | E | 27.3 | Very low | 27.9 | Very low | 191 Ų | 191 | 131.9 Ų | 131.9 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | 42 | 117.6 | 128.7 | -55.3 | -170.8 | 120.8 | 0 | 0 | 122.8 | |||||
| 393 | N | 28.5 | Very low | 27.5 | Very low | 170 Ų | 170 | 130.6 Ų | 130.6 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | 38.6 | 112 | 125.1 | -158.8 | 23.8 | 0 | 0 | 0 | 120.4 | |||||
| 394 | G | 25.1 | Very low | 27 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -175.7 | 118.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 395 | G | 24.1 | Very low | 26.7 | Very low | 86 Ų | 86 | 132 Ų | 132 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -81.8 | 145.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 396 | G | 22.9 | Very low | 26.7 | Very low | 76 Ų | 76 | 131.6 Ų | 131.6 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | -169.4 | 95 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 397 | L | 23.1 | Very low | 26.3 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | 39.1 | 107.4 | 150.2 | -164.3 | 63.8 | 0 | 0 | 0 | 119.3 | T399 | L397-T399 PolarHBondContact O-N 3.34Š| ||
| 398 | V | 24.7 | Very low | 26.1 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 72% | 0.721 | 82% | 0.817 | S | S | * | * | trans | -77.6 | 117.6 | 166.8 | -155.2 | 0 | 0 | 0 | 0 | 109.9 | M400 | V398-M400 HydrophobicContact CG1-CE 4.33Š| ||
| 399 | T | 24.9 | Very low | 25.8 | Very low | 114 Ų | 114 | 131.3 Ų | 131.3 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -95.4 | 102.5 | 166.7 | 51.1 | 0 | 0 | 0 | 0 | 109.9 | L397 T401 | L397-T399 PolarHBondContact O-N 3.34Å; T399-T401 PolarHBondContact O-N 3.28Å | ||
| 400 | M | 24 | Very low | 25.7 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -72.3 | 109.5 | 173.6 | -68.8 | -71.6 | -174.3 | 0 | 0 | 110.4 | V398 | V398-M400 HydrophobicContact CG1-CE 4.33Š| ||
| 401 | T | 25.6 | Very low | 25.7 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | trans | -98.9 | 106.2 | 161.5 | 48.7 | 0 | 0 | 0 | 0 | 109.3 | T399 A403 | T399-T401 PolarHBondContact O-N 3.28Å; T401-A403 PolarHBondContact O-N 3.35Å | ||
| 402 | T | 24.4 | Very low | 25.6 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 80% | 0.798 | 80% | 0.803 | S | S | * | * | trans | -63.7 | 122.5 | 174.2 | 47.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 403 | A | 24.3 | Very low | 25.5 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -114.7 | 123.4 | 157.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | T401 | T401-A403 PolarHBondContact O-N 3.35Š| ||
| 404 | V | 24.8 | Very low | 25.3 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -107.6 | 158 | -178 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 405 | E | 26.3 | Very low | 25.3 | Very low | 176 Ų | 176 | 143.7 Ų | 143.7 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 92.1 | 148.2 | 171.2 | -54.7 | -159.5 | 156.8 | 0 | 0 | 118 | ||||
| 406 | P | 31 | Very low | 25.4 | Very low | 112 Ų | 112 | 145 Ų | 145 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | cis | -126.1 | 152.1 | -32.8 | 30.6 | -14.8 | 0 | 0 | 0 | 113 | ||||
| 407 | M | 25.1 | Very low | 25.7 | Very low | 188 Ų | 188 | 147.4 Ų | 147.4 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | trans | -69.2 | 134.1 | 171.7 | -59.3 | -169.6 | 82 | 0 | 0 | 110.4 | ||||
| 408 | N | 26.6 | Very low | 25.8 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -109.7 | 114.2 | 163.8 | -140.9 | -22.9 | 0 | 0 | 0 | 109.3 | ||||
| 409 | L | 24.9 | Very low | 25.9 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 67% | 0.67 | 80% | 0.804 | S | S | * | * | trans | -88.1 | 118.8 | -169 | -176.7 | 75.8 | 0 | 0 | 0 | 109.9 | ||||
| 410 | H | 27 | Very low | 26 | Very low | 190 Ų | 190 | 141.5 Ų | 141.5 | 88% | 0.88 | 81% | 0.806 | S | S | * | * | trans | -125.8 | 131.1 | 158.6 | -116.4 | -104 | 0 | 0 | 0 | 110.2 | ||||
| 411 | H | 28.1 | Very low | 26.3 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 75% | 0.75 | 80% | 0.802 | S | S | * | * | trans | -65.5 | 138.2 | -163.7 | -93 | 40.7 | 0 | 0 | 0 | 113.9 | ||||
| 412 | A | 24.1 | Very low | 26.3 | Very low | 81 Ų | 81 | 139.7 Ų | 139.7 | 67% | 0.669 | 80% | 0.804 | S | S | * | * | trans | -72.3 | 138.2 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 413 | M | 24.8 | Very low | 26.3 | Very low | 194 Ų | 194 | 139 Ų | 139 | 96% | 0.956 | 80% | 0.8 | S | S | * | * | trans | -107.3 | 95.8 | 160 | -83.4 | -81.6 | -173.6 | 0 | 0 | 107.8 | ||||
| 414 | L | 26 | Very low | 26.3 | Very low | 160 Ų | 160 | 140.4 Ų | 140.4 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | trans | -85.2 | 125.6 | 169.2 | -71.4 | 170 | 0 | 0 | 0 | 109.5 | ||||
| 415 | R | 24.6 | Very low | 26.3 | Very low | 251 Ų | 251 | 140 Ų | 140 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | trans | -130.8 | 134.2 | 149 | -88.2 | -165.9 | 178 | -143.8 | -0 | 109.4 | ||||
| 416 | S | 26.5 | Very low | 26.1 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -75.6 | 158.2 | -165.2 | -50.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 417 | P | 29.6 | Very low | 25.8 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -80.6 | 148.3 | 169.7 | 33.8 | -34.4 | 0 | 0 | 0 | 112.2 | ||||
| 418 | G | 24.8 | Very low | 25.9 | Very low | 65 Ų | 65 | 138.7 Ų | 138.7 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | -104.8 | 116.1 | 148.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 419 | S | 25.7 | Very low | 26.2 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | 71.7 | 130.9 | 90.5 | 68.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 420 | A | 28.5 | Very low | 26.3 | Very low | 88 Ų | 88 | 138.6 Ų | 138.6 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | cis | -175.2 | 169.2 | -3.9 | 0 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 421 | D | 28.6 | Very low | 26.3 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | cis | -160 | 162 | -19.5 | -118.2 | -43.8 | 0 | 0 | 0 | 106.9 | ||||
| 422 | S | 26.7 | Very low | 26 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -174.8 | 78.8 | 152.9 | -84.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 423 | V | 24.6 | Very low | 26 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 70% | 0.703 | 80% | 0.803 | S | S | * | * | trans | -92.1 | 117.2 | 169.2 | 179.6 | 0 | 0 | 0 | 0 | 108.7 | V425 | V423-V425 HydrophobicContact CG1-CG2 3.9Š| ||
| 424 | V | 24.7 | Very low | 25.9 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | -97.2 | 108.4 | 167.5 | 176 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 425 | V | 23.6 | Very low | 25.8 | Very low | 118 Ų | 118 | 136 Ų | 136 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | trans | -96.9 | 121.2 | 165.6 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | V423 | V423-V425 HydrophobicContact CG1-CG2 3.9Š| ||
| 426 | L | 22.5 | Very low | 25.7 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 86% | 0.859 | 78% | 0.775 | S | S | * | * | trans | -132.1 | 124.3 | 157.2 | -76.9 | 178.1 | 0 | 0 | 0 | 109 | ||||
| 427 | A | 25.7 | Very low | 25.6 | Very low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -87.4 | 161 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 428 | Q | 26.1 | Very low | 25.5 | Very low | 194 Ų | 194 | 131.9 Ų | 131.9 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | trans | -83.6 | 147.6 | 169.3 | -65.4 | 178.5 | -29.7 | 0 | 0 | 110.9 | ||||
| 429 | P | 33.9 | Very low | 25.5 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | trans | -116.2 | 136.7 | 166.8 | 36.8 | -27 | 0 | 0 | 0 | 113.8 | ||||
| 430 | H | 26.6 | Very low | 25.6 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | trans | -170.3 | 130.1 | 159.5 | -99 | -82.8 | 0 | 0 | 0 | 104.1 | ||||
| 431 | E | 25.7 | Very low | 25.5 | Very low | 166 Ų | 166 | 136 Ų | 136 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | cis | -141.4 | -179.6 | 6.3 | -71.8 | -171.1 | 115.7 | 0 | 0 | 112.3 | ||||
| 432 | L | 23 | Very low | 25.5 | Very low | 147 Ų | 147 | 141.1 Ų | 141.1 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -21.7 | 134.4 | 175.4 | -72.7 | 70.4 | 0 | 0 | 0 | 119.1 | ||||
| 433 | V | 24.6 | Very low | 25.5 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | -141.4 | 142.5 | 116.5 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 434 | T | 22.1 | Very low | 25.7 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 67% | 0.669 | 78% | 0.784 | S | S | * | * | trans | -80.5 | 151 | 177.9 | 46.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 435 | M | 23.3 | Very low | 25.9 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | -178.4 | 155.9 | 123.1 | -90.3 | -86.8 | 77.9 | 0 | 0 | 111.6 | |||||
| 436 | T | 23.1 | Very low | 26.2 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 66% | 0.663 | 79% | 0.785 | S | S | * | * | trans | -74.1 | 154.7 | -177.3 | 47.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 437 | T | 25.3 | Very low | 26.5 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | -173.3 | 158 | 68.9 | 41.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 438 | E | 25.9 | Very low | 26.7 | Very low | 186 Ų | 186 | 139.1 Ų | 139.1 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | 29.4 | 136.5 | 137.9 | -54.8 | 170.5 | -169.4 | 0 | 0 | 119.9 | ||||
| 439 | G | 24.5 | Very low | 26.8 | Very low | 63 Ų | 63 | 137.4 Ų | 137.4 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | cis | 153.5 | 174.7 | 11.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 440 | H | 28.1 | Very low | 26.6 | Very low | 200 Ų | 200 | 143.6 Ų | 143.6 | 93% | 0.926 | 80% | 0.799 | S | S | * | * | trans | 82.9 | 130.9 | 179 | -57 | 99.8 | 0 | 0 | 0 | 118.9 | ||||
| 441 | A | 28 | Very low | 26.7 | Very low | 91 Ų | 91 | 141.8 Ų | 141.8 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -114 | 144.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 442 | Y | 28 | Very low | 26.7 | Very low | 244 Ų | 244 | 140.5 Ų | 140.5 | 96% | 0.957 | 80% | 0.799 | S | S | * | * | trans | -159.3 | 140.5 | 153.4 | -103 | -87 | 0 | 0 | 0 | 103.7 | ||||
| 443 | G | 27.3 | Very low | 26.9 | Very low | 60 Ų | 60 | 140.2 Ų | 140.2 | 62% | 0.619 | 80% | 0.801 | S | S | * | * | cis | 135.2 | 85.2 | 14.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 444 | D | 28.2 | Very low | 27 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | 38.7 | 149.4 | 164.6 | -57.8 | -41.3 | 0 | 0 | 0 | 122.9 | ||||
| 445 | D | 29.2 | Very low | 27.4 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 83% | 0.829 | 80% | 0.803 | S | S | * | * | trans | 107.5 | 140.5 | 131.6 | -115.3 | -12.7 | 0 | 0 | 0 | 122.1 | ||||
| 446 | V | 29.3 | Very low | 27.6 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 70% | 0.697 | 80% | 0.803 | S | S | * | * | trans | 87.7 | 97.7 | 151.4 | 177.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 447 | V | 29.3 | Very low | 27.9 | Very low | 127 Ų | 127 | 142.5 Ų | 142.5 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | 68.9 | 105.5 | 122.2 | -179.2 | 0 | 0 | 0 | 0 | 122 | |||||
| 448 | A | 29 | Very low | 28.2 | Very low | 82 Ų | 82 | 145 Ų | 145 | 68% | 0.678 | 82% | 0.824 | S | S | * | * | 71.2 | 154.2 | 125.2 | 0 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 449 | L | 29 | Very low | 28.3 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 83% | 0.832 | 82% | 0.82 | S | S | * | * | trans | 66.1 | 94.3 | 156.1 | -73.5 | 156.8 | 0 | 0 | 0 | 118.1 | ||||
| 450 | L | 30.3 | Very low | 28.7 | Very low | 243 Ų | 243 | 148.7 Ų | 148.7 | 100% | 1.272 | 84% | 0.835 | S | S | * | * | -160.8 | 0 | 97.4 | -98.7 | 163.2 | 0 | 0 | 0 | 111.6 |
Retrieved 450 of 450 residues in 54.1 ms
(Link to these results)