| 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 | 37.8 | Very low | 38.6 | Very low | 252 Ų | 252 | 138.5 Ų | 138.5 | 100% | 1.241 | 86% | 0.858 | S | S | * | * | 0 | 136.2 | 0 | -66.2 | 171.2 | 67.3 | 0 | 0 | 107.6 | |||||
| 2 | G | 36.2 | Very low | 38 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 78% | 0.784 | 85% | 0.849 | S | S | * | * | cis | -162.4 | 153.6 | -5.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3 | S | 46.1 | Very low | 37.7 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 83% | 0.832 | 86% | 0.855 | S | S | * | * | trans | -89.3 | 148.7 | -174.7 | -40.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 4 | V | 45.5 | Very low | 37.6 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 93% | 0.927 | 85% | 0.85 | S | S | * | * | trans | -140.9 | 149.4 | 153 | -159.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 5 | S | 37.8 | Very low | 37.3 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 71% | 0.706 | 84% | 0.84 | S | S | * | * | trans | -117 | 156.3 | -160.8 | -52.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 6 | S | 41.4 | Very low | 37.7 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 73% | 0.734 | 84% | 0.837 | S | S | * | * | trans | 26.4 | 129.8 | 141.3 | -48.5 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 7 | L | 41.3 | Very low | 37.6 | Very low | 182 Ų | 182 | 144.6 Ų | 144.6 | 95% | 0.953 | 83% | 0.833 | S | S | * | * | trans | -135.2 | 155.5 | 141.1 | -78.1 | -178 | 0 | 0 | 0 | 110.7 | ||||
| 8 | I | 38.3 | Very low | 37.3 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 79% | 0.79 | 83% | 0.831 | S | S | * | * | trans | -132.9 | 130.9 | -168 | -62.6 | 169.7 | 0 | 0 | 0 | 110.7 | ||||
| 9 | S | 33.1 | Very low | 37.1 | Very low | 130 Ų | 130 | 149.2 Ų | 149.2 | 91% | 0.909 | 84% | 0.838 | S | S | * | * | trans | -179.6 | 149.4 | 151 | -82.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 10 | G | 33.5 | Very low | 36.9 | Very low | 70 Ų | 70 | 146.7 Ų | 146.7 | 72% | 0.722 | 84% | 0.837 | S | S | * | * | cis | 176.4 | 124.4 | -7.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 11 | H | 33.4 | Very low | 36.9 | Very low | 181 Ų | 181 | 145 Ų | 145 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | trans | 46.7 | 110.3 | 146.9 | -166.2 | -82.7 | 0 | 0 | 0 | 121.8 | ||||
| 12 | S | 31.4 | Very low | 36.8 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | -167.2 | 113.2 | 119.8 | 60.4 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 13 | F | 33.9 | Very low | 36.5 | Very low | 210 Ų | 210 | 147.8 Ų | 147.8 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -100.8 | 142.7 | 156.6 | -87.9 | -91.4 | 0 | 0 | 0 | 109 | ||||
| 14 | H | 36.9 | Very low | 36.2 | Very low | 170 Ų | 170 | 149.8 Ų | 149.8 | 79% | 0.787 | 81% | 0.809 | S | S | * | * | trans | -114.6 | 102 | 178 | -140.4 | 67.8 | 0 | 0 | 0 | 111.2 | ||||
| 15 | S | 32.4 | Very low | 35.7 | Very low | 100 Ų | 100 | 151.4 Ų | 151.4 | 70% | 0.699 | 81% | 0.812 | S | S | * | * | trans | -81.4 | 132 | 174.6 | 175.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 16 | K | 44.3 | Very low | 35.6 | Very low | 183 Ų | 183 | 156.8 Ų | 156.8 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | -138.8 | 145.6 | 155 | -69.6 | -162.5 | 176.9 | -178.5 | 0 | 110.6 | ||||
| 17 | H | 35.4 | Very low | 35.4 | Very low | 164 Ų | 164 | 160.5 Ų | 160.5 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | trans | -92 | 166.1 | -159 | -117.5 | -90.8 | 0 | 0 | 0 | 114.8 | ||||
| 18 | C | 32.6 | Very low | 34.9 | Very low | 118 Ų | 118 | 157.5 Ų | 157.5 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | -55.5 | 159.7 | 172.7 | -42.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 19 | R | 32.9 | Very low | 34.6 | Very low | 259 Ų | 259 | 155 Ų | 155 | 98% | 0.977 | 81% | 0.81 | S | S | * | * | trans | -133 | 121.3 | 163.4 | -126.9 | -172.5 | -172.7 | -140.1 | 2 | 112.2 | ||||
| 20 | A | 33.1 | Very low | 34.7 | Very low | 99 Ų | 99 | 157.3 Ų | 157.3 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -151.5 | 152.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 21 | S | 38 | Very low | 34.8 | Very low | 112 Ų | 112 | 161.6 Ų | 161.6 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | cis | -148.2 | 176.8 | 1.4 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 22 | Q | 35.7 | Very low | 35 | Very low | 147 Ų | 147 | 162 Ų | 162 | 69% | 0.687 | 81% | 0.811 | S | S | * | * | trans | -13.3 | 145.5 | 172.6 | -53.9 | -180 | 24.4 | 0 | 0 | 120.8 | ||||
| 23 | Y | 30.5 | Very low | 35.7 | Very low | 238 Ų | 238 | 166.8 Ų | 166.8 | 93% | 0.933 | 82% | 0.818 | S | S | * | * | -135.2 | 159.2 | 126 | -137.9 | -101.8 | 0 | 0 | 0 | 110.8 | |||||
| 24 | K | 39.3 | Very low | 35.7 | Very low | 161 Ų | 161 | 164.3 Ų | 164.3 | 70% | 0.7 | 81% | 0.814 | S | S | * | * | trans | -111.7 | 147.6 | -169.2 | -61.9 | 175.7 | -176.8 | 171.7 | 0 | 112.2 | ||||
| 25 | L | 34.8 | Very low | 35.6 | Very low | 187 Ų | 187 | 161.9 Ų | 161.9 | 98% | 0.979 | 81% | 0.807 | S | S | * | * | trans | -140.2 | 161.8 | 157.7 | -144.8 | 66.1 | 0 | 0 | 0 | 111.7 | ||||
| 26 | R | 35.1 | Very low | 36.1 | Very low | 214 Ų | 214 | 167.7 Ų | 167.7 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | trans | -93.3 | 152.8 | -164.9 | -84.7 | 179 | 166.2 | -174.2 | -0.5 | 113.9 | ||||
| 27 | K | 37 | Very low | 35.6 | Very low | 183 Ų | 183 | 168.9 Ų | 168.9 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | trans | 32.7 | 126.4 | 139.4 | -53.8 | -179.4 | 179.1 | -170.9 | 0 | 116.7 | ||||
| 28 | S | 31.5 | Very low | 35.7 | Very low | 120 Ų | 120 | 166.4 Ų | 166.4 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | -162.8 | -169.7 | 52.8 | -147.5 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 29 | S | 32 | Very low | 35.8 | Very low | 101 Ų | 101 | 168.7 Ų | 168.7 | 71% | 0.706 | 82% | 0.82 | S | S | * | * | cis | -153.1 | -151.9 | 7.5 | 66.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 30 | H | 35.3 | Very low | 35.8 | Very low | 179 Ų | 179 | 159.5 Ų | 159.5 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | -126.5 | 146.2 | 166.9 | -75.7 | -79 | 0 | 0 | 0 | 111 | ||||
| 31 | L | 35.6 | Very low | 36.2 | Very low | 160 Ų | 160 | 162.6 Ų | 162.6 | 84% | 0.838 | 81% | 0.807 | S | S | * | * | trans | 174.9 | 99.3 | 138.4 | -94.3 | 163.7 | 0 | 0 | 0 | 108 | ||||
| 32 | K | 36.6 | Very low | 36.1 | Very low | 188 Ų | 188 | 165.3 Ų | 165.3 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | 61.6 | 101.2 | 92.9 | -75.3 | -171.8 | 175.9 | 177 | 0 | 116.6 | |||||
| 33 | K | 46.1 | Very low | 36.2 | Very low | 210 Ų | 210 | 167.4 Ų | 167.4 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | trans | 24.2 | 129.4 | 135.2 | -58.6 | -179.7 | 178.2 | -176.2 | 0 | 119.3 | ||||
| 34 | L | 35 | Very low | 36.2 | Very low | 157 Ų | 157 | 164.4 Ų | 164.4 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | -150.5 | 157.9 | 118.5 | -164.7 | 53.2 | 0 | 0 | 0 | 111.7 | |||||
| 35 | N | 34.4 | Very low | 35.7 | Very low | 120 Ų | 120 | 159.7 Ų | 159.7 | 64% | 0.642 | 80% | 0.802 | S | S | * | * | trans | -134.2 | 139.3 | 176.4 | 168.5 | 15.1 | 0 | 0 | 0 | 107.8 | ||||
| 36 | R | 42.3 | Very low | 35.7 | Very low | 221 Ų | 221 | 161.2 Ų | 161.2 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | -158.2 | 159.9 | 152.8 | -131 | 177.1 | -77 | -153.7 | 1.6 | 113.9 | ||||
| 37 | Y | 34.4 | Very low | 35.7 | Very low | 209 Ų | 209 | 156.1 Ų | 156.1 | 82% | 0.82 | 80% | 0.798 | S | S | * | * | trans | -95.9 | 152.9 | -171.4 | -78.7 | -113.2 | 0 | 0 | 0 | 114.3 | ||||
| 38 | S | 38 | Very low | 35.6 | Very low | 111 Ų | 111 | 156.9 Ų | 156.9 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -167.4 | 125 | 139.6 | 50.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 39 | D | 34.3 | Very low | 35.6 | Very low | 167 Ų | 167 | 158.2 Ų | 158.2 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | cis | 66.8 | 145.6 | 46.1 | -161.5 | 21.2 | 0 | 0 | 0 | 113.6 | ||||
| 40 | G | 33.3 | Very low | 36 | Very low | 65 Ų | 65 | 159 Ų | 159 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | trans | 111.9 | 65 | 173.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 41 | L | 41.3 | Very low | 35.9 | Very low | 164 Ų | 164 | 153.8 Ų | 153.8 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -13.9 | 132.4 | 146.7 | 179.2 | 77.5 | 0 | 0 | 0 | 117.8 | ||||
| 42 | L | 36.5 | Very low | 35.8 | Very low | 169 Ų | 169 | 155.3 Ų | 155.3 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -160.6 | 174.3 | 144.2 | -114.3 | 173.1 | 0 | 0 | 0 | 114.2 | ||||
| 43 | R | 36.2 | Very low | 35.7 | Very low | 191 Ų | 191 | 149.9 Ų | 149.9 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | trans | -121.2 | 171.9 | -166.8 | -89.1 | -176.2 | 59.7 | -168.1 | -4.7 | 113.6 | ||||
| 44 | F | 31.2 | Very low | 35.5 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 77% | 0.772 | 80% | 0.801 | S | S | * | * | trans | 77.7 | 137.1 | 174.1 | -61.9 | -93.5 | 0 | 0 | 0 | 114.7 | ||||
| 45 | G | 29.8 | Very low | 35.5 | Very low | 61 Ų | 61 | 147 Ų | 147 | 63% | 0.629 | 80% | 0.797 | S | S | * | * | cis | 116.6 | 120.7 | -11.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 46 | F | 32.9 | Very low | 35.3 | Very low | 220 Ų | 220 | 146.4 Ų | 146.4 | 97% | 0.965 | 80% | 0.803 | S | S | * | * | trans | -139.4 | 139.1 | 168.9 | -95.5 | -82.2 | 0 | 0 | 0 | 110 | ||||
| 47 | S | 35.1 | Very low | 35.1 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -101.7 | 153.5 | 177.1 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 48 | Q | 35 | Very low | 35.5 | Very low | 199 Ų | 199 | 140.2 Ų | 140.2 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | trans | -143.5 | 110.3 | 148.6 | -171.7 | 166.3 | 87.8 | 0 | 0 | 108.7 | ||||
| 49 | D | 32.6 | Very low | 35.5 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | -98.5 | 142.2 | 179 | -87.6 | -65.6 | 0 | 0 | 0 | 111.3 | ||||
| 50 | S | 39.2 | Very low | 35.4 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | trans | -148 | 138.2 | 148.1 | 66.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 51 | G | 33.1 | Very low | 35.9 | Very low | 71 Ų | 71 | 146.4 Ų | 146.4 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | -67.9 | -178.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 52 | H | 35.1 | Very low | 35.7 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 88% | 0.884 | 81% | 0.807 | S | S | * | * | cis | -162.5 | 134.6 | 29.6 | -137.4 | -17.3 | 0 | 0 | 0 | 110.2 | ||||
| 53 | G | 34.8 | Very low | 35.7 | Very low | 75 Ų | 75 | 144.3 Ų | 144.3 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -177.1 | 133.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 54 | K | 40.9 | Very low | 36.1 | Very low | 197 Ų | 197 | 142.4 Ų | 142.4 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -100.6 | 137.6 | -168.5 | -66.6 | 173.3 | -177.8 | 172.4 | 0 | 112.9 | ||||
| 55 | S | 35.8 | Very low | 36.5 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | 3.6 | 138 | 137.5 | -158.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 56 | S | 30 | Very low | 37 | Very low | 108 Ų | 108 | 148.3 Ų | 148.3 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | cis | -161.8 | -177.9 | 30.8 | -138.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 57 | S | 37.9 | Very low | 37.1 | Very low | 100 Ų | 100 | 148 Ų | 148 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | cis | -151.3 | -137.5 | 7.8 | 64 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 58 | K | 42.9 | Very low | 37.3 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -142.1 | 138 | 163.8 | -84.8 | -177.8 | 177.5 | 174.1 | 0 | 110.3 | ||||
| 59 | M | 36.8 | Very low | 37.4 | Very low | 189 Ų | 189 | 150 Ų | 150 | 93% | 0.931 | 81% | 0.808 | S | S | * | * | trans | -132.8 | 161.5 | 155.4 | -61.2 | -164.5 | 80.6 | 0 | 0 | 107.1 | ||||
| 60 | G | 32.8 | Very low | 37.4 | Very low | 67 Ų | 67 | 149 Ų | 149 | 69% | 0.691 | 81% | 0.808 | S | S | * | * | cis | 166.5 | 126.6 | -3.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 61 | K | 43.4 | Very low | 37.1 | Very low | 218 Ų | 218 | 148.8 Ų | 148.8 | 95% | 0.948 | 81% | 0.806 | S | S | * | * | trans | -90.3 | 131.8 | -178.8 | -67.9 | -175.4 | 179.3 | -176.3 | 0 | 109.9 | ||||
| 62 | S | 36.8 | Very low | 37.3 | Very low | 116 Ų | 116 | 154.5 Ų | 154.5 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -135.2 | 114.7 | 165.8 | 54.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 63 | E | 37.8 | Very low | 37.2 | Very low | 173 Ų | 173 | 155.6 Ų | 155.6 | 81% | 0.808 | 82% | 0.816 | S | S | * | * | trans | -75.4 | 149 | 155.7 | -64.4 | 165 | 108 | 0 | 0 | 107.9 | ||||
| 64 | D | 44.4 | Very low | 37.3 | Very low | 150 Ų | 150 | 156.1 Ų | 156.1 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -157.8 | 132.2 | 147.2 | -115.3 | -33 | 0 | 0 | 0 | 111 | ||||
| 65 | F | 39.8 | Very low | 37 | Very low | 173 Ų | 173 | 159 Ų | 159 | 76% | 0.759 | 82% | 0.818 | S | S | * | * | trans | -113 | 114.5 | -178.4 | -94.1 | -99.6 | 0 | 0 | 0 | 109.9 | Y67 | F65-Y67 PolarHBondContact O-N 3.31Š| ||
| 66 | F | 39.8 | Very low | 36.7 | Very low | 189 Ų | 189 | 157 Ų | 157 | 83% | 0.829 | 82% | 0.815 | S | S | * | * | trans | -88.1 | 105 | 172.2 | -81.4 | -86.1 | 0 | 0 | 0 | 111.9 | ||||
| 67 | Y | 35.5 | Very low | 36.8 | Very low | 212 Ų | 212 | 157.6 Ų | 157.6 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | trans | -114.8 | 106.1 | 161.8 | -101.2 | -78.5 | 0 | 0 | 0 | 109.8 | F65 K69 | F65-Y67 PolarHBondContact O-N 3.31Å; Y67-K69 PolarHBondContact O-N 3.49Å | ||
| 68 | I | 38.2 | Very low | 36.6 | Very low | 153 Ų | 153 | 162 Ų | 162 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | trans | -74.2 | 121.4 | 175.8 | -61.5 | 174.5 | 0 | 0 | 0 | 109 | V70 | I68-V70 HydrophobicContact CG2-CG2 4.33Š| ||
| 69 | K | 37.3 | Very low | 36 | Very low | 194 Ų | 194 | 159.7 Ų | 159.7 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -120.1 | 101.3 | 173.2 | -173.7 | 178.2 | -66.2 | 177.1 | 0 | 109.6 | Y67 | Y67-K69 PolarHBondContact O-N 3.49Š| ||
| 70 | V | 33.1 | Very low | 36.4 | Very low | 130 Ų | 130 | 155.6 Ų | 155.6 | 79% | 0.788 | 81% | 0.808 | S | S | * | * | trans | -69.1 | 134.3 | 176.3 | -171 | 0 | 0 | 0 | 0 | 109.3 | I68 | I68-V70 HydrophobicContact CG2-CG2 4.33Š| ||
| 71 | S | 33.4 | Very low | 36.2 | Very low | 111 Ų | 111 | 158.8 Ų | 158.8 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | trans | -133.5 | 136.6 | 170.1 | 60.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 72 | Q | 37.1 | Very low | 35.7 | Very low | 190 Ų | 190 | 158 Ų | 158 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | trans | -91.8 | 129.4 | 178.9 | -65.1 | 174.5 | -9.8 | 0 | 0 | 110 | ||||
| 73 | K | 33.2 | Very low | 35.6 | Very low | 214 Ų | 214 | 158.8 Ų | 158.8 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | -156.3 | 151.5 | 151.7 | -147.5 | 150.7 | -178.8 | 170.5 | 0 | 112 | ||||
| 74 | A | 36.9 | Very low | 35.5 | Very low | 86 Ų | 86 | 154.2 Ų | 154.2 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -115.3 | 174 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 75 | R | 33.7 | Very low | 35 | Very low | 258 Ų | 258 | 155.4 Ų | 155.4 | 97% | 0.974 | 80% | 0.799 | S | S | * | * | trans | 78.2 | 140 | -163.2 | -52.5 | -178.5 | -177.6 | -146 | 0.8 | 113.2 | ||||
| 76 | G | 29.5 | Very low | 34.7 | Very low | 66 Ų | 66 | 152.9 Ų | 152.9 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | cis | 161.4 | 135.9 | -10.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 77 | S | 33 | Very low | 34.4 | Very low | 121 Ų | 121 | 149.5 Ų | 149.5 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | 37.1 | 95.7 | 157.6 | 180 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 78 | H | 33 | Very low | 34.3 | Very low | 193 Ų | 193 | 143.1 Ų | 143.1 | 89% | 0.894 | 80% | 0.801 | S | S | * | * | trans | -147.6 | 135.9 | 147.9 | -86.2 | -75.2 | 0 | 0 | 0 | 111.3 | ||||
| 79 | H | 31.3 | Very low | 34.3 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | trans | -151.5 | 119.2 | 168.3 | 177.9 | -83.9 | 0 | 0 | 0 | 107 | D81 | H79-D81 IonicContact CE1-OD1 3.55Å; H79-D81 IonicContact ND1-OD1 3.85Å | ||
| 80 | P | 45.5 | Very low | 34.5 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | -139.2 | 167.4 | 113.5 | 17.3 | 5.7 | 0 | 0 | 0 | 112.4 | |||||
| 81 | D | 28.3 | Very low | 34.5 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | cis | -159.2 | 176 | -10.3 | -108.9 | -22.9 | 0 | 0 | 0 | 112.7 | H79 | H79-D81 IonicContact CE1-OD1 3.55Å; H79-D81 IonicContact ND1-OD1 3.85Å | ||
| 82 | Y | 32.2 | Very low | 34.4 | Very low | 201 Ų | 201 | 136.6 Ų | 136.6 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | -37 | 153.7 | 172.7 | -109.2 | -123.8 | 0 | 0 | 0 | 117.1 | ||||
| 83 | T | 34.2 | Very low | 34.3 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | -165 | 152.6 | 71.6 | -60.3 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 84 | A | 35.6 | Very low | 34.4 | Very low | 77 Ų | 77 | 131.6 Ų | 131.6 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | trans | -64.7 | 175.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 85 | L | 35.3 | Very low | 34.2 | Very low | 175 Ų | 175 | 131 Ų | 131 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | -162 | 148.2 | 123.3 | -107.5 | -176.1 | 0 | 0 | 0 | 115.4 | |||||
| 86 | S | 32.4 | Very low | 34.7 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | 108.6 | 142.3 | 153.6 | -147.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 87 | S | 33.9 | Very low | 35 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -139.1 | 156.8 | -178.2 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 88 | G | 34.3 | Very low | 35.2 | Very low | 79 Ų | 79 | 133.6 Ų | 133.6 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | -159.3 | 119.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 89 | D | 37.3 | Very low | 35.3 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -107.9 | 153.3 | -172 | 177.7 | 36.5 | 0 | 0 | 0 | 111.6 | ||||
| 90 | L | 41.5 | Very low | 35.8 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | 161.6 | 110.4 | 129.4 | -86 | 166.5 | 0 | 0 | 0 | 113.9 | |||||
| 91 | G | 32.1 | Very low | 35.3 | Very low | 78 Ų | 78 | 130.3 Ų | 130.3 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 99.9 | 128.6 | 134.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 92 | G | 31.7 | Very low | 35.7 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 154.6 | 42.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 93 | Q | 35.8 | Very low | 36.1 | Very low | 195 Ų | 195 | 126.6 Ų | 126.6 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | trans | 63.6 | 134.1 | 159.3 | -60.6 | -169.8 | 11.4 | 0 | 0 | 122.6 | ||||
| 94 | A | 35 | Very low | 36.5 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 87% | 0.868 | 81% | 0.813 | S | S | * | * | trans | 65.5 | 124 | 142.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 95 | G | 32.3 | Very low | 36.7 | Very low | 73 Ų | 73 | 131.7 Ų | 131.7 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | trans | 153.9 | 42.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 96 | V | 44.3 | Very low | 36.7 | Very low | 136 Ų | 136 | 131.2 Ų | 131.2 | 82% | 0.824 | 82% | 0.819 | S | S | * | * | trans | 16.4 | 108.8 | 164.3 | -73.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 97 | D | 35.8 | Very low | 36.7 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | 31.5 | 121.6 | 139.3 | -48.9 | -24.8 | 0 | 0 | 0 | 121.7 | ||||
| 98 | F | 38 | Very low | 37.6 | Very low | 216 Ų | 216 | 132 Ų | 132 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | -158.9 | 142.8 | 108.3 | -121.8 | -82.8 | 0 | 0 | 0 | 111.9 | |||||
| 99 | D | 35.2 | Very low | 37.7 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | trans | -101.4 | 147.3 | -168.1 | -166.6 | 54.4 | 0 | 0 | 0 | 113.1 | ||||
| 100 | P | 41.3 | Very low | 37.5 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -100.3 | 133.7 | -176.6 | 35.9 | -29.2 | 0 | 0 | 0 | 113.9 | ||||
| 101 | S | 35.6 | Very low | 36.9 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -120.5 | 121.9 | 179.4 | 68 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 102 | T | 36.1 | Very low | 37.1 | Very low | 140 Ų | 140 | 139.9 Ų | 139.9 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -131.9 | 159.7 | 163.6 | 20.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 103 | P | 39.4 | Very low | 37.3 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | -102.6 | 163.5 | -125.9 | 36.5 | -37.7 | 0 | 0 | 0 | 116.8 | |||||
| 104 | P | 43.6 | Very low | 37.2 | Very low | 133 Ų | 133 | 141.8 Ų | 141.8 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -77.3 | 169.4 | -178.9 | 32.9 | -37.7 | 0 | 0 | 0 | 114.6 | ||||
| 105 | K | 39.4 | Very low | 37.4 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 81% | 0.809 | 80% | 0.795 | S | S | * | * | trans | -144.3 | 127.8 | -171.3 | 177.8 | -176.8 | 179.3 | -179 | 0 | 112.5 | ||||
| 106 | L | 36 | Very low | 37.3 | Very low | 165 Ų | 165 | 144.6 Ų | 144.6 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -140.7 | 134.7 | 169.5 | -64.1 | 173.8 | 0 | 0 | 0 | 107 | ||||
| 107 | M | 33.1 | Very low | 37.1 | Very low | 162 Ų | 162 | 143.2 Ų | 143.2 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | cis | 104.7 | 145.2 | 37.4 | -75 | -61.3 | -172.7 | 0 | 0 | 112.2 | ||||
| 108 | P | 52.7 | Low | 37.1 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 60% | 0.597 | 79% | 0.787 | S | S | * | * | trans | -136.2 | -166.9 | -131.3 | 35.5 | -13.2 | 0 | 0 | 0 | 117.8 | ||||
| 109 | F | 34.9 | Very low | 37.2 | Very low | 195 Ų | 195 | 141.4 Ų | 141.4 | 86% | 0.855 | 78% | 0.779 | S | S | * | * | trans | 96.4 | 133.3 | 165 | -60.1 | -74.3 | 0 | 0 | 0 | 120.4 | ||||
| 110 | S | 33.5 | Very low | 37.1 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | 160.2 | 111.5 | 107.8 | -166.4 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 111 | N | 30 | Very low | 36.8 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | 52.2 | 163.1 | 132.9 | -57.9 | -11.4 | 0 | 0 | 0 | 126.9 | ||||
| 112 | Q | 34.6 | Very low | 37 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | 90.7 | 144.1 | 169.8 | -57.8 | -166.3 | 7.5 | 0 | 0 | 117.5 | ||||
| 113 | L | 36.4 | Very low | 37.1 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | cis | -151.3 | -159.7 | -8.3 | -120.3 | 173.2 | 0 | 0 | 0 | 112.2 | ||||
| 114 | E | 34.4 | Very low | 37.2 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 76% | 0.757 | 79% | 0.788 | S | S | * | * | trans | -118.3 | 158 | -148.6 | -143 | -175 | 146.5 | 0 | 0 | 118.4 | ||||
| 115 | M | 38.7 | Very low | 37.1 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 80% | 0.803 | 78% | 0.782 | S | S | * | * | trans | 42.7 | 137.7 | 149 | -91.3 | -68.3 | -166.7 | 0 | 0 | 124.7 | ||||
| 116 | G | 30.6 | Very low | 36.9 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -174.1 | 142 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 117 | S | 39.4 | Very low | 36.9 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -129 | 158.7 | -162.8 | -74.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 118 | E | 36.8 | Very low | 37.1 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | trans | 98.8 | 127.5 | 157.5 | -64.1 | -141.5 | 118.8 | 0 | 0 | 122.3 | ||||
| 119 | K | 39.8 | Very low | 36.5 | Very low | 178 Ų | 178 | 141 Ų | 141 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | trans | 65.4 | 120.3 | 147.5 | -67.6 | 159.9 | -176.2 | 150.8 | 0 | 119.7 | ||||
| 120 | G | 33.4 | Very low | 36.4 | Very low | 79 Ų | 79 | 137.9 Ų | 137.9 | 81% | 0.814 | 78% | 0.781 | S | S | * | * | trans | -169.3 | -24.5 | 176 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 121 | A | 35.3 | Very low | 36.9 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | 75.8 | 163.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 122 | V | 38 | Very low | 37.3 | Very low | 137 Ų | 137 | 140 Ų | 140 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | trans | 79.6 | 91.3 | 169.2 | -162 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 123 | R | 39.8 | Very low | 37.3 | Very low | 216 Ų | 216 | 142.6 Ų | 142.6 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | 14.7 | 134.7 | 147.2 | -69.3 | -178.2 | 175 | 162.2 | -2.1 | 121.7 | ||||
| 124 | P | 41.8 | Very low | 37.2 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | -92.7 | 143.9 | 126.5 | 34.5 | -29.8 | 0 | 0 | 0 | 111.4 | |||||
| 125 | T | 39.8 | Very low | 37.1 | Very low | 119 Ų | 119 | 137 Ų | 137 | 73% | 0.73 | 80% | 0.797 | S | S | * | * | trans | -110 | 129.1 | 178.9 | -59 | 0 | 0 | 0 | 0 | 111 | ||||
| 126 | A | 36.1 | Very low | 36.9 | Very low | 82 Ų | 82 | 133.5 Ų | 133.5 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | trans | -114.1 | 144.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 127 | F | 35.6 | Very low | 37.2 | Very low | 200 Ų | 200 | 137.2 Ų | 137.2 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -167.7 | 168.9 | 143.1 | -100.8 | -55.9 | 0 | 0 | 0 | 112.8 | ||||
| 128 | K | 37.4 | Very low | 37.1 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | trans | -72.8 | 151.3 | -164.8 | -57.6 | 156.8 | -178.2 | 175.5 | 0 | 113.2 | ||||
| 129 | P | 39.3 | Very low | 36.8 | Very low | 131 Ų | 131 | 140 Ų | 140 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | trans | -69.5 | 145.2 | 161.1 | 31.5 | -34 | 0 | 0 | 0 | 110.8 | ||||
| 130 | V | 33.5 | Very low | 36.4 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | trans | -135.3 | 143.4 | 179.8 | 176.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 131 | L | 44.9 | Very low | 36.3 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -73.5 | 137.7 | 178.9 | -67 | 163.5 | 0 | 0 | 0 | 112.5 | ||||
| 132 | P | 37.6 | Very low | 37.3 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | trans | -88.4 | 135.9 | 157.5 | -4.1 | 23.4 | 0 | 0 | 0 | 110.9 | ||||
| 133 | R | 34.3 | Very low | 37.2 | Very low | 233 Ų | 233 | 139.7 Ų | 139.7 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -144.1 | 108.6 | 173.6 | -171.9 | 177 | -177.1 | -175.3 | 1.7 | 113.9 | ||||
| 134 | S | 33.8 | Very low | 36.9 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | 63.9 | 137.4 | 145.9 | -52.9 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 135 | G | 34 | Very low | 36.6 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | trans | 152.5 | 136.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 136 | A | 34.6 | Very low | 36.3 | Very low | 89 Ų | 89 | 132.2 Ų | 132.2 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | cis | -160.4 | 153.7 | -6.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 137 | I | 35.6 | Very low | 36.5 | Very low | 153 Ų | 153 | 136.9 Ų | 136.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 28.3 | 130.5 | 135.5 | -53.6 | 174 | 0 | 0 | 0 | 116.5 | ||||
| 138 | L | 37.4 | Very low | 36.2 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | cis | -113.9 | -173.4 | 30.4 | -49 | 141 | 0 | 0 | 0 | 111.7 | ||||
| 139 | H | 31.7 | Very low | 36 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | cis | -147.9 | -175.7 | 0.6 | -111 | -46.4 | 0 | 0 | 0 | 106.5 | ||||
| 140 | S | 30.3 | Very low | 35.7 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | cis | -138 | -132.4 | 4.6 | 59.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 141 | S | 31.9 | Very low | 36.4 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | -171.7 | 175.5 | 177.1 | -143.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 142 | P | 55.9 | Low | 35.7 | Very low | 106 Ų | 106 | 134 Ų | 134 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | cis | -124.3 | -144.3 | -11.6 | 47.7 | -31.6 | 0 | 0 | 0 | 108.8 | ||||
| 143 | E | 35.1 | Very low | 36.4 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | cis | -167 | -178.7 | -27.9 | -127.2 | -171.3 | 108.4 | 0 | 0 | 107.1 | ||||
| 144 | S | 35.4 | Very low | 37.2 | Very low | 91 Ų | 91 | 127.6 Ų | 127.6 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -161.9 | 150.5 | -14.3 | -151.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 145 | A | 34.3 | Very low | 37.1 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -170.3 | 147.9 | 158 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 146 | S | 33.5 | Very low | 37.5 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -133.9 | 168.2 | -172.7 | -73.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 147 | H | 39.6 | Very low | 37.7 | Very low | 181 Ų | 181 | 136.3 Ų | 136.3 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | -66.5 | 160 | -178 | -41.8 | -89.5 | 0 | 0 | 0 | 115.6 | ||||
| 148 | Q | 31.1 | Very low | 37.5 | Very low | 174 Ų | 174 | 137.1 Ų | 137.1 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | -178.1 | 134.4 | 123.9 | -100.1 | -179.5 | 41.9 | 0 | 0 | 116.3 | |||||
| 149 | L | 31.3 | Very low | 37.1 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 52.6 | 151.8 | 133.6 | -59.6 | 171.8 | 0 | 0 | 0 | 125.8 | ||||
| 150 | H | 34.2 | Very low | 37.1 | Very low | 183 Ų | 183 | 138.6 Ų | 138.6 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | trans | -83 | 173 | 169.9 | -86.6 | -71.8 | 0 | 0 | 0 | 112.2 | ||||
| 151 | P | 47.5 | Very low | 37 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | cis | -139.5 | -159 | 27.9 | 42 | -20.1 | 0 | 0 | 0 | 116.6 | ||||
| 152 | A | 31.4 | Very low | 37.1 | Very low | 85 Ų | 85 | 142.4 Ų | 142.4 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | trans | -124.2 | -166.5 | -176 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 153 | P | 51.9 | Low | 36.2 | Very low | 120 Ų | 120 | 146.7 Ų | 146.7 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | cis | -120.6 | -139.4 | -19.3 | 44.1 | -27.1 | 0 | 0 | 0 | 108.5 | ||||
| 154 | P | 50.6 | Low | 36.1 | Very low | 109 Ų | 109 | 144.6 Ų | 144.6 | 71% | 0.708 | 79% | 0.786 | S | S | * | * | cis | -126.3 | -178.3 | -30.7 | 41.3 | -26.7 | 0 | 0 | 0 | 113.4 | ||||
| 155 | D | 31 | Very low | 35.9 | Very low | 157 Ų | 157 | 143 Ų | 143 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | -167 | 171.9 | 120.4 | -130.2 | -24.8 | 0 | 0 | 0 | 113.1 | |||||
| 156 | K | 43.2 | Very low | 35.8 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -144.8 | 167.9 | 178 | -79.4 | -171.4 | 179.3 | -177.8 | 0 | 110.2 | ||||
| 157 | P | 38.6 | Very low | 35.6 | Very low | 115 Ų | 115 | 146 Ų | 146 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | cis | -134.6 | 171.5 | 8.3 | 42.1 | -26.7 | 0 | 0 | 0 | 115.9 | ||||
| 158 | K | 31.6 | Very low | 35.3 | Very low | 169 Ų | 169 | 143.2 Ų | 143.2 | 74% | 0.735 | 78% | 0.784 | S | S | * | * | -171.7 | 134.8 | 120.7 | -109.4 | 177.6 | 174.9 | -105.1 | 0 | 113.8 | |||||
| 159 | E | 30.1 | Very low | 35.3 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | 46.3 | 163.2 | 139.1 | -69.4 | 163.7 | 146.8 | 0 | 0 | 121.9 | ||||
| 160 | Q | 30.8 | Very low | 35.3 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -143.7 | 127.9 | -158.1 | 163.4 | -167.7 | -24.9 | 0 | 0 | 108 | ||||
| 161 | E | 28.9 | Very low | 35.5 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 73% | 0.729 | 78% | 0.778 | S | S | * | * | -179 | 152 | 128.2 | -102.8 | -162.9 | 131.5 | 0 | 0 | 115.7 | |||||
| 162 | L | 33.6 | Very low | 34.9 | Very low | 139 Ų | 139 | 134.1 Ų | 134.1 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | trans | 54.9 | 111.5 | 148 | -59.9 | 167.9 | 0 | 0 | 0 | 122.1 | ||||
| 163 | K | 36.2 | Very low | 35 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -85.9 | 148.5 | 135 | -80.4 | -174.6 | 174.1 | -178.7 | 0 | 108.3 | ||||
| 164 | P | 34.1 | Very low | 34.2 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 81% | 0.812 | 78% | 0.784 | S | S | * | * | -121.9 | 174.8 | 76.5 | 3.9 | 18.5 | 0 | 0 | 0 | 112.9 | |||||
| 165 | G | 30.2 | Very low | 33.4 | Very low | 58 Ų | 58 | 135.1 Ų | 135.1 | 60% | 0.598 | 79% | 0.785 | S | S | * | * | cis | 123.9 | 108.2 | -4.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 166 | L | 32.2 | Very low | 33.9 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | 70.4 | 154.1 | 172.2 | -44.9 | 178.7 | 0 | 0 | 0 | 115 | ||||
| 167 | C | 29.6 | Very low | 33.6 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | cis | -162.5 | 150.1 | -23.6 | -114.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 168 | S | 33.3 | Very low | 33.5 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -129.9 | 154.8 | 147 | -66.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 169 | G | 31.9 | Very low | 33.9 | Very low | 67 Ų | 67 | 138.5 Ų | 138.5 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | cis | 139.8 | 120.4 | -1.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 170 | A | 30.6 | Very low | 34.2 | Very low | 94 Ų | 94 | 136.6 Ų | 136.6 | 78% | 0.777 | 81% | 0.807 | S | S | * | * | trans | 64.7 | 144.2 | -167.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 171 | L | 38.9 | Very low | 34.5 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | cis | 78.5 | 85.4 | 9.1 | -51.5 | -179.4 | 0 | 0 | 0 | 118.6 | ||||
| 172 | S | 34 | Very low | 35.1 | Very low | 118 Ų | 118 | 134 Ų | 134 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -170 | 131.2 | 135.4 | -93.2 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 173 | D | 33.3 | Very low | 35.4 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | 66.1 | 90.7 | 50.4 | -167.5 | 29.1 | 0 | 0 | 0 | 114.6 | |||||
| 174 | S | 35.6 | Very low | 35.5 | Very low | 116 Ų | 116 | 130.2 Ų | 130.2 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | -169.3 | 124.8 | 108.2 | -162 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 175 | G | 33.8 | Very low | 35.3 | Very low | 71 Ų | 71 | 132.8 Ų | 132.8 | 73% | 0.732 | 81% | 0.814 | S | S | * | * | trans | -137.6 | 95.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 176 | R | 41.9 | Very low | 35.4 | Very low | 234 Ų | 234 | 135.5 Ų | 135.5 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -56.2 | 138.6 | -176.1 | -66 | 175.7 | 168.8 | -159.3 | -3.7 | 112.9 | ||||
| 177 | N | 36.1 | Very low | 35.3 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 90% | 0.898 | 82% | 0.821 | S | S | * | * | trans | -149.6 | 114.8 | 149.7 | -95.1 | -37.5 | 0 | 0 | 0 | 109.7 | ||||
| 178 | S | 36.1 | Very low | 35.5 | Very low | 113 Ų | 113 | 134.8 Ų | 134.8 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | trans | -111.3 | 133.5 | 173.1 | -54.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 179 | M | 39.8 | Very low | 35.2 | Very low | 191 Ų | 191 | 134 Ų | 134 | 94% | 0.941 | 82% | 0.823 | S | S | * | * | trans | 176.3 | 99.3 | 154.6 | -98.6 | -85 | -83.5 | 0 | 0 | 110.7 | ||||
| 180 | S | 37.2 | Very low | 35.1 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 88% | 0.881 | 83% | 0.827 | S | S | * | * | trans | -160.3 | 142.7 | 149 | 58.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 181 | S | 37.6 | Very low | 35.2 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 78% | 0.776 | 83% | 0.829 | S | S | * | * | trans | -133.3 | 137.2 | -175.5 | 49 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 182 | L | 42.2 | Very low | 35 | Very low | 168 Ų | 168 | 142 Ų | 142 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | trans | -142.5 | 139.5 | 164.7 | -73.2 | 179.1 | 0 | 0 | 0 | 108.8 | ||||
| 183 | P | 40 | Very low | 35 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 72% | 0.721 | 83% | 0.829 | S | S | * | * | trans | -89.6 | 133.1 | 176.5 | 8.5 | 9.9 | 0 | 0 | 0 | 111.5 | ||||
| 184 | T | 36.8 | Very low | 34.7 | Very low | 143 Ų | 143 | 144.6 Ų | 144.6 | 88% | 0.877 | 83% | 0.83 | S | S | * | * | trans | -105.8 | 118.7 | 164.9 | 43.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 185 | H | 30.3 | Very low | 35.6 | Very low | 179 Ų | 179 | 143.4 Ų | 143.4 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | trans | -81.8 | 125 | 171.9 | -67.3 | -95 | 0 | 0 | 0 | 109.8 | ||||
| 186 | S | 31.4 | Very low | 35.6 | Very low | 115 Ų | 115 | 147.4 Ų | 147.4 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -160.9 | 115.4 | 148.3 | -128 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 187 | T | 31.7 | Very low | 35.1 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | trans | -4.7 | 122.9 | 153.5 | 53.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 188 | S | 32 | Very low | 34.9 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | -148.9 | 157.8 | 135.3 | -165.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 189 | S | 28.4 | Very low | 35.7 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -122 | 129.9 | -172.3 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 190 | S | 30.1 | Very low | 35.4 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -157.2 | 143.9 | 156.3 | -163.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 191 | Y | 32.1 | Very low | 35.2 | Very low | 209 Ų | 209 | 135.4 Ų | 135.4 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | trans | -60.3 | 147.2 | -174.7 | -50.2 | -98.1 | 0 | 0 | 0 | 115.1 | ||||
| 192 | Q | 33.9 | Very low | 35.7 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | -177.2 | 127.6 | 112.3 | -99.2 | 178.4 | 7.6 | 0 | 0 | 115 | |||||
| 193 | L | 35.6 | Very low | 35.3 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | 68.5 | 159.5 | 146.8 | -58.1 | 174.7 | 0 | 0 | 0 | 121.8 | ||||
| 194 | D | 27.2 | Very low | 35 | Very low | 151 Ų | 151 | 133.8 Ų | 133.8 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | trans | -130.9 | -174.6 | -162.8 | -152.8 | 28.4 | 0 | 0 | 0 | 107.4 | ||||
| 195 | P | 53.2 | Low | 35 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 59% | 0.591 | 79% | 0.79 | S | S | * | * | cis | -141.3 | -173.6 | -1.8 | 45.7 | -27.5 | 0 | 0 | 0 | 117 | ||||
| 196 | L | 33.4 | Very low | 35.2 | Very low | 156 Ų | 156 | 137.5 Ų | 137.5 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | 71.9 | 138.1 | 163.8 | -57.7 | 167.1 | 0 | 0 | 0 | 116.4 | ||||
| 197 | V | 33.1 | Very low | 35.2 | Very low | 134 Ų | 134 | 135.5 Ų | 135.5 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | cis | -144.6 | 157.9 | 38.7 | 166.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 198 | T | 31.7 | Very low | 35.2 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | trans | -136.5 | 174.3 | 173.7 | 13.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 199 | P | 52.8 | Low | 35.3 | Very low | 113 Ų | 113 | 132.3 Ų | 132.3 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | cis | -132.5 | -178.4 | -12 | 39.7 | -23 | 0 | 0 | 0 | 114.2 | ||||
| 200 | V | 33.7 | Very low | 35.5 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 87% | 0.873 | 78% | 0.782 | S | S | * | * | 176.6 | 141 | 129.5 | 149.4 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 201 | G | 32.7 | Very low | 35.9 | Very low | 64 Ų | 64 | 134.6 Ų | 134.6 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | -132.3 | -150.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 202 | P | 48.3 | Very low | 36 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | cis | -134.5 | 168.9 | -8.9 | 41 | -26.2 | 0 | 0 | 0 | 114.3 | ||||
| 203 | T | 32.9 | Very low | 36.2 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | trans | 168.4 | 146.5 | 131.8 | 31.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 204 | S | 33 | Very low | 36.2 | Very low | 101 Ų | 101 | 127.7 Ų | 127.7 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | 49.3 | 134.5 | 150 | -150.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 205 | R | 36.8 | Very low | 36.6 | Very low | 207 Ų | 207 | 129.5 Ų | 129.5 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | cis | -174.5 | 149.6 | -24.2 | -120.1 | -168.5 | -69.6 | -156.5 | 0.4 | 106.6 | ||||
| 206 | F | 34.3 | Very low | 35.6 | Very low | 193 Ų | 193 | 128.5 Ų | 128.5 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | trans | 52.4 | 119.8 | 160.1 | -80.9 | -97.1 | 0 | 0 | 0 | 120.2 | ||||
| 207 | G | 31.5 | Very low | 35.8 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 78% | 0.779 | S | S | * | * | trans | -88.7 | 161.2 | 138.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 208 | G | 32.8 | Very low | 36 | Very low | 79 Ų | 79 | 130 Ų | 130 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | -176.7 | 126.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 209 | S | 34.1 | Very low | 36.2 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | trans | -75.8 | 143 | 174.7 | -174.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 210 | A | 32.3 | Very low | 35.3 | Very low | 87 Ų | 87 | 134.6 Ų | 134.6 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | trans | -103.5 | 128.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 211 | H | 38.1 | Very low | 35.3 | Very low | 180 Ų | 180 | 135 Ų | 135 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | -132.1 | 136.4 | 159.6 | -90.9 | 38.8 | 0 | 0 | 0 | 108 | ||||
| 212 | N | 35.5 | Very low | 35.4 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -76.2 | 130 | -177.3 | -67.6 | -62.1 | 0 | 0 | 0 | 109.8 | ||||
| 213 | I | 38.3 | Very low | 35.2 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | 59.4 | 100.9 | 77.7 | -56.4 | 169.6 | 0 | 0 | 0 | 112.9 | |||||
| 214 | T | 33.9 | Very low | 35.5 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | trans | -152.2 | 113 | 148.7 | -51.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 215 | Q | 36.4 | Very low | 36.1 | Very low | 189 Ų | 189 | 144.9 Ų | 144.9 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | trans | 56.7 | 151.5 | 154.6 | -60.6 | 168.7 | 7.4 | 0 | 0 | 120.5 | ||||
| 216 | G | 31.9 | Very low | 36 | Very low | 69 Ų | 69 | 140.7 Ų | 140.7 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | cis | -176.8 | 129.1 | -6.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 217 | I | 37.2 | Very low | 36.7 | Very low | 152 Ų | 152 | 139 Ų | 139 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | trans | 25.9 | 119.9 | 145.9 | -50.6 | 172.4 | 0 | 0 | 0 | 120.2 | L219 | I217-L219 HydrophobicContact CG2-CD1 4.32Š| ||
| 218 | I | 37.2 | Very low | 36.9 | Very low | 169 Ų | 169 | 145.5 Ų | 145.5 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | -140.5 | 144.8 | 126.6 | -68.9 | -165 | 0 | 0 | 0 | 108.9 | |||||
| 219 | L | 36.8 | Very low | 37.2 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | trans | -80.3 | 148.4 | 177.5 | -96.1 | 66.3 | 0 | 0 | 0 | 113.6 | I217 | I217-L219 HydrophobicContact CG2-CD1 4.32Š| ||
| 220 | Q | 34.3 | Very low | 37.6 | Very low | 191 Ų | 191 | 147.8 Ų | 147.8 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | -171.4 | 156.2 | 111.7 | -105.8 | -178.4 | 10.3 | 0 | 0 | 113.4 | |||||
| 221 | D | 33.4 | Very low | 37.6 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -71.4 | 138.1 | 175.4 | -62.5 | -74.4 | 0 | 0 | 0 | 112.8 | ||||
| 222 | S | 34.4 | Very low | 37.7 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -173.6 | 132.7 | 141.9 | -84.1 | 0 | 0 | 0 | 0 | 112.2 | M224 | S222-M224 PolarHBondContact O-N 2.9Š| ||
| 223 | N | 44.7 | Very low | 37.9 | Very low | 167 Ų | 167 | 148.4 Ų | 148.4 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | trans | -72.2 | 120 | 161.4 | -80.4 | -43 | 0 | 0 | 0 | 109.5 | ||||
| 224 | M | 39.3 | Very low | 37.8 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 83% | 0.828 | 83% | 0.826 | S | S | * | * | trans | -167.1 | 138.8 | 150.2 | -109.1 | -61.3 | -81 | 0 | 0 | 111.6 | S222 | S222-M224 PolarHBondContact O-N 2.9Š| ||
| 225 | M | 44 | Very low | 38 | Very low | 170 Ų | 170 | 146.5 Ų | 146.5 | 84% | 0.837 | 82% | 0.821 | S | S | * | * | trans | -86.9 | 135.2 | 167.8 | -61.9 | -103.2 | 80.6 | 0 | 0 | 109.2 | ||||
| 226 | S | 36.3 | Very low | 37.9 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 83% | 0.832 | 82% | 0.817 | S | S | * | * | trans | -159.7 | 160.4 | 153.5 | -150.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 227 | L | 48.2 | Very low | 38.1 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | trans | -101 | 144.8 | -175.4 | -62 | 163.1 | 0 | 0 | 0 | 110.9 | ||||
| 228 | K | 36.3 | Very low | 38.3 | Very low | 210 Ų | 210 | 146.4 Ų | 146.4 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | trans | -132.9 | 115.1 | 143.8 | -70.4 | -170.9 | 177.3 | -179.6 | 0 | 107.1 | ||||
| 229 | A | 37.6 | Very low | 38.4 | Very low | 94 Ų | 94 | 146.7 Ų | 146.7 | 78% | 0.777 | 83% | 0.832 | S | S | * | * | cis | 81.7 | 137.1 | 49.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 230 | L | 43.7 | Very low | 38.4 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | trans | -72.2 | 164.3 | -168.2 | -60 | 164.8 | 0 | 0 | 0 | 112.5 | F232 | L230-F232 HydrophobicContact CD1-CE2 4.46Š| ||
| 231 | S | 32.4 | Very low | 38.3 | Very low | 125 Ų | 125 | 143.2 Ų | 143.2 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -145.1 | 129.8 | 154.8 | -75.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 232 | F | 40.6 | Very low | 38.5 | Very low | 186 Ų | 186 | 140 Ų | 140 | 82% | 0.816 | 83% | 0.826 | S | S | * | * | trans | -99 | 148.4 | 169.6 | -72.4 | -99.4 | 0 | 0 | 0 | 109.3 | L230 | L230-F232 HydrophobicContact CD1-CE2 4.46Š| ||
| 233 | S | 38.8 | Very low | 38.5 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | trans | -142 | 131.9 | 155 | -66.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 234 | D | 37 | Very low | 38.1 | Very low | 166 Ų | 166 | 142 Ų | 142 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | 64.2 | 128.5 | 57.7 | -162.9 | 56.1 | 0 | 0 | 0 | 111.6 | |||||
| 235 | G | 37.1 | Very low | 37.8 | Very low | 61 Ų | 61 | 138.6 Ų | 138.6 | 63% | 0.629 | 82% | 0.817 | S | S | * | * | cis | 169.8 | 164.8 | -5.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 236 | G | 35.1 | Very low | 37.3 | Very low | 77 Ų | 77 | 136.8 Ų | 136.8 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | 82.4 | 96.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 237 | S | 35.2 | Very low | 37.5 | Very low | 120 Ų | 120 | 140 Ų | 140 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | 46.1 | 127.3 | 127 | -167.2 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 238 | K | 41.5 | Very low | 37.4 | Very low | 212 Ų | 212 | 135.8 Ų | 135.8 | 92% | 0.922 | 80% | 0.804 | S | S | * | * | -155.6 | 159 | 129.3 | -113.5 | 160.4 | -168.9 | 173.1 | 0 | 113.7 | |||||
| 239 | L | 40.2 | Very low | 37.8 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 92% | 0.916 | 80% | 0.801 | S | S | * | * | trans | -92 | 141.6 | -169.1 | -166 | 78.2 | 0 | 0 | 0 | 112 | ||||
| 240 | G | 35.5 | Very low | 38 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | trans | -176.8 | 138.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 241 | H | 34 | Very low | 37.8 | Very low | 187 Ų | 187 | 131.4 Ų | 131.4 | 87% | 0.866 | 80% | 0.803 | S | S | * | * | trans | -106.6 | 145.9 | -171.8 | -109.4 | -91.6 | 0 | 0 | 0 | 113.4 | ||||
| 242 | A | 35.8 | Very low | 38.2 | Very low | 86 Ų | 86 | 131 Ų | 131 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 70.3 | 151.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 243 | N | 34.7 | Very low | 38.3 | Very low | 136 Ų | 136 | 133.7 Ų | 133.7 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | cis | -158.1 | 136 | 7.2 | -137.4 | -20.3 | 0 | 0 | 0 | 112.3 | ||||
| 244 | K | 37.2 | Very low | 38.3 | Very low | 195 Ų | 195 | 133.1 Ų | 133.1 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | 61.1 | 155 | 163.6 | -63.3 | -174.4 | -179.8 | -173.4 | 0 | 116.8 | ||||
| 245 | A | 33.5 | Very low | 38.9 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | cis | -161.7 | 162.3 | -13.1 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 246 | D | 33.3 | Very low | 39.8 | Very low | 132 Ų | 132 | 136 Ų | 136 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | cis | -174.4 | 169.1 | -0.8 | 162.4 | 37.7 | 0 | 0 | 0 | 104.3 | ||||
| 247 | K | 40.6 | Very low | 40.7 | Very low | 185 Ų | 185 | 137.3 Ų | 137.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 68.7 | 120.9 | 173.2 | -46.9 | -166.2 | 178.7 | 178.2 | 0 | 118.4 | ||||
| 248 | G | 44.6 | Very low | 42 | Very low | 71 Ų | 71 | 136.9 Ų | 136.9 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | -86.3 | -163.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 249 | P | 46.1 | Very low | 43.2 | Very low | 129 Ų | 129 | 130.4 Ų | 130.4 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | -146.3 | 171.1 | 77.1 | 40.9 | -25.4 | 0 | 0 | 0 | 117.5 | |||||
| 250 | S | 41.9 | Very low | 45 | Very low | 103 Ų | 103 | 128.2 Ų | 128.2 | 72% | 0.72 | 75% | 0.752 | S | S | * | * | trans | -1.3 | 127.9 | 156.2 | -166.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 251 | C | 38.3 | Very low | 47 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 89% | 0.885 | 74% | 0.741 | S | S | * | * | trans | -104.4 | 109.6 | 153.9 | -175.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 252 | V | 40.1 | Very low | 49 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | trans | -74.5 | 137.5 | 179 | 179 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 253 | R | 43.8 | Very low | 51.1 | Low | 242 Ų | 242 | 121 Ų | 121 | 91% | 0.913 | 70% | 0.699 | S | S | * | * | trans | -94.4 | 113.1 | 174.1 | -166.4 | 174.8 | -170.7 | 158 | 1 | 108.9 | ||||
| 254 | S | 38.9 | Very low | 53.4 | Low | 99 Ų | 99 | 120.9 Ų | 120.9 | 69% | 0.692 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 145.1 | -178.5 | -53.1 | 0 | 0 | 0 | 0 | 112.3 | ||
| 255 | P | 50.4 | Low | 55.6 | Low | 129 Ų | 129 | 116.6 Ų | 116.6 | 84% | 0.838 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 148.7 | 174.9 | 30.7 | -34.8 | 0 | 0 | 0 | 111.4 | ||
| 256 | I | 55.6 | Low | 58 | Low | 158 Ų | 158 | 117.5 Ų | 117.5 | 81% | 0.81 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 140.5 | 170.8 | -54.7 | 173.7 | 0 | 0 | 0 | 107.7 | T258 | I256-T258 PolarHBondContact O-N 3.29Š|
| 257 | S | 53.8 | Low | 60.4 | Low | 105 Ų | 105 | 117.1 Ų | 117.1 | 73% | 0.734 | 66% | 0.662 | S | S | * | * | trans | -71.4 | 110.3 | 174.5 | -173.9 | 0 | 0 | 0 | 0 | 110.4 | D259 | S257-D259 PolarHBondContact O-N 3.48Å; S257-D259 VanDerWaalsContact O-N 3.08Å | ||
| 258 | T | 61.3 | Low | 62.7 | Low | 112 Ų | 112 | 114 Ų | 114 | 69% | 0.687 | 65% | 0.65 | S | S | * | * | trans | -76.7 | 85.9 | 171.3 | 48.6 | 0 | 0 | 0 | 0 | 110.2 | I256 | I256-T258 PolarHBondContact O-N 3.29Š| ||
| 259 | D | 66.9 | Low | 64.7 | Low | 76 Ų | 76 | 114.9 Ų | 114.9 | 41% | 0.406 | 63% | 0.634 | S | S | . | * | trans | -103.3 | 94.4 | 155.9 | 170.2 | 44 | 0 | 0 | 0 | 108.3 | S257 C261 S262 I263 | S257-D259 PolarHBondContact O-N 3.48Å; S257-D259 VanDerWaalsContact O-N 3.08Å; D259-C261 PolarHBondContact O-N 2.83Å; D259-C261 VanDerWaalsContact O-N 3.08Å; D259-S262 PolarHBondContact O-N 3.34Å; D259-S262 PolarHBondContact O-OG 3.29Å; D259-S262 WeakPolarHBondContact OD2-CB 3.46Å; D259-S262 PolarHBondContact OD2-N 3.45Å; D259-S262 VanDerWaalsContact OD2-N 3.08Å; D259-S262 PolarHBondContact OD2-OG 3.42Å; D259-I263 WeakPolarHBondContact O-CG1 3.49Å; D259-I263 PolarHBondContact O-N 2.82Å; D259-I263 VanDerWaalsContact O-N 3.11Å | ||
| 260 | E | 79.1 | Confident | 66.7 | Low | 129 Ų | 129 | 113.8 Ų | 113.8 | 60% | 0.603 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -56.2 | -28.2 | -175.4 | -56 | -61.3 | 112.1 | 0 | 0 | 112.6 | Q264 | E260-Q264 WeakPolarHBondContact O-CB 3.28Å; E260-Q264 PolarHBondContact O-N 2.96Å |
| 261 | C | 76.8 | Confident | 69 | Low | 80 Ų | 80 | 114.6 Ų | 114.6 | 54% | 0.541 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -71 | -49.5 | -178.2 | -160.7 | 0 | 0 | 0 | 0 | 111.9 | D259 I263 Q264 E265 | D259-C261 PolarHBondContact O-N 2.83Å; D259-C261 VanDerWaalsContact O-N 3.08Å; C261-I263 VanDerWaalsContact C-N 3.32Å; C261-I263 PolarHBondContact O-N 3.03Å; C261-Q264 PolarHBondContact O-N 3.38Å; C261-E265 PolarHBondContact O-N 3.31Å |
| 262 | S | 76.3 | Confident | 71.4 | Confident | 52 Ų | 52 | 113.6 Ų | 113.6 | 36% | 0.364 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.4 | -27.3 | 174.7 | 60.2 | 0 | 0 | 0 | 0 | 113.1 | D259 L266 | D259-S262 PolarHBondContact O-N 3.34Å; D259-S262 PolarHBondContact O-OG 3.29Å; D259-S262 WeakPolarHBondContact OD2-CB 3.46Å; D259-S262 PolarHBondContact OD2-N 3.45Å; D259-S262 VanDerWaalsContact OD2-N 3.08Å; D259-S262 PolarHBondContact OD2-OG 3.42Å; S262-L266 WeakPolarHBondContact O-CB 3.47Å; S262-L266 WeakPolarHBondContact O-CD1 3.33Å; S262-L266 WeakPolarHBondContact O-CG 3.43Å; S262-L266 PolarHBondContact O-N 2.84Å |
| 263 | I | 79.1 | Confident | 73.8 | Confident | 63 Ų | 63 | 116.3 Ų | 116.3 | 32% | 0.323 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.9 | -51.3 | 169.2 | -66.9 | 167.3 | 0 | 0 | 0 | 110 | D259 C261 E265 L266 E267 | D259-I263 WeakPolarHBondContact O-CG1 3.49Å; D259-I263 PolarHBondContact O-N 2.82Å; D259-I263 VanDerWaalsContact O-N 3.11Å; C261-I263 VanDerWaalsContact C-N 3.32Å; C261-I263 PolarHBondContact O-N 3.03Å; I263-E265 VanDerWaalsContact C-N 3.35Å; I263-E265 PolarHBondContact O-N 2.83Å; I263-L266 CarbonylContact O-C 3.6Å; I263-L266 WeakPolarHBondContact O-CA 3.49Å; I263-L266 WeakPolarHBondContact O-CB 3.36Å; I263-L266 PolarHBondContact O-N 3.43Å; I263-E267 WeakPolarHBondContact O-CG 3.43Å; I263-E267 PolarHBondContact O-N 3.03Å |
| 264 | Q | 84 | Confident | 75.8 | Confident | 133 Ų | 133 | 110 Ų | 110 | 62% | 0.621 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.5 | -36.2 | 179.7 | -171.7 | 165.5 | 69.3 | 0 | 0 | 112.6 | E260 C261 L266 E267 Q268 | E260-Q264 WeakPolarHBondContact O-CB 3.28Å; E260-Q264 PolarHBondContact O-N 2.96Å; C261-Q264 PolarHBondContact O-N 3.38Å; Q264-L266 VanDerWaalsContact C-N 3.33Å; Q264-L266 PolarHBondContact O-N 2.93Å; Q264-E267 PolarHBondContact O-N 3Å; Q264-Q268 PolarHBondContact O-N 3.33Å |
| 265 | E | 83.7 | Confident | 78.2 | Confident | 106 Ų | 106 | 106.7 Ų | 106.7 | 50% | 0.495 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.6 | -38.3 | 169.2 | -85.1 | -162.4 | -154.1 | 0 | 0 | 112.8 | C261 I263 K269 | C261-E265 PolarHBondContact O-N 3.31Å; I263-E265 VanDerWaalsContact C-N 3.35Å; I263-E265 PolarHBondContact O-N 2.83Å; E265-K269 WeakPolarHBondContact O-CB 3.41Å; E265-K269 VanDerWaalsContact O-CD 3.24Å; E265-K269 WeakPolarHBondContact O-CD 3.4Å; E265-K269 WeakPolarHBondContact O-CG 3.33Å; E265-K269 PolarHBondContact O-N 3.5Å; E265-K269 IonicContact OE2-NZ 2.67Å; E265-K269 PolarHBondContact OE2-NZ 3.23Å |
| 266 | L | 82.6 | Confident | 80.1 | Confident | 114 Ų | 114 | 102.8 Ų | 102.8 | 60% | 0.597 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.1 | -38.2 | 178.3 | -75.1 | 168.1 | 0 | 0 | 0 | 111.8 | S262 I263 Q264 K269 L270 | S262-L266 WeakPolarHBondContact O-CB 3.47Å; S262-L266 WeakPolarHBondContact O-CD1 3.33Å; S262-L266 WeakPolarHBondContact O-CG 3.43Å; S262-L266 PolarHBondContact O-N 2.84Å; I263-L266 CarbonylContact O-C 3.6Å; I263-L266 WeakPolarHBondContact O-CA 3.49Å; I263-L266 WeakPolarHBondContact O-CB 3.36Å; I263-L266 PolarHBondContact O-N 3.43Å; Q264-L266 VanDerWaalsContact C-N 3.33Å; Q264-L266 PolarHBondContact O-N 2.93Å; L266-K269 PolarHBondContact O-N 3.28Å; L266-L270 VanDerWaalsContact O-CB 3.32Å; L266-L270 WeakPolarHBondContact O-CB 3.34Å; L266-L270 PolarHBondContact O-N 3.41Å |
| 267 | E | 85.5 | Confident | 81.6 | Confident | 124 Ų | 124 | 100.2 Ų | 100.2 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.2 | -47.3 | 172.8 | -71.2 | -177.2 | 155.3 | 0 | 0 | 111.6 | I263 Q264 K269 L270 L271 | I263-E267 WeakPolarHBondContact O-CG 3.43Å; I263-E267 PolarHBondContact O-N 3.03Å; Q264-E267 PolarHBondContact O-N 3Å; E267-K269 PolarHBondContact O-N 3.31Å; E267-L270 WeakPolarHBondContact O-CB 3.31Å; E267-L270 PolarHBondContact O-N 3.04Å; E267-L270 VanDerWaalsContact O-N 3.16Å; E267-L271 PolarHBondContact O-N 3.34Å |
| 268 | Q | 87.5 | Confident | 83.3 | Confident | 119 Ų | 119 | 101.1 Ų | 101.1 | 56% | 0.556 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 176.1 | -178.1 | 170.6 | -29.5 | 0 | 0 | 111.7 | Q264 L270 L271 E272 | Q264-Q268 PolarHBondContact O-N 3.33Å; Q268-L270 PolarHBondContact O-N 3.03Å; Q268-L271 PolarHBondContact O-N 2.9Å; Q268-E272 HydrophobicContact CG-CG 4.48Å; Q268-E272 PolarHBondContact NE2-OE1 3.32Å; Q268-E272 WeakPolarHBondContact O-CB 3.42Å; Q268-E272 WeakPolarHBondContact O-CG 3.47Å; Q268-E272 PolarHBondContact O-N 3.49Å |
| 269 | K | 88 | Confident | 84.7 | Confident | 91 Ų | 91 | 102.4 Ų | 102.4 | 40% | 0.396 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.8 | -31.5 | 174.4 | -73.2 | 162.6 | -164 | 163.5 | 0 | 112 | E265 L266 E267 R273 | E265-K269 WeakPolarHBondContact O-CB 3.41Å; E265-K269 VanDerWaalsContact O-CD 3.24Å; E265-K269 WeakPolarHBondContact O-CD 3.4Å; E265-K269 WeakPolarHBondContact O-CG 3.33Å; E265-K269 PolarHBondContact O-N 3.5Å; E265-K269 IonicContact OE2-NZ 2.67Å; E265-K269 PolarHBondContact OE2-NZ 3.23Å; L266-K269 PolarHBondContact O-N 3.28Å; E267-K269 PolarHBondContact O-N 3.31Å; K269-R273 WeakPolarHBondContact O-CB 3.38Å; K269-R273 WeakPolarHBondContact O-CG 3.42Å; K269-R273 PolarHBondContact O-N 3Å; K269-R273 VanDerWaalsContact O-N 3.15Å |
| 270 | L | 87.1 | Confident | 85.8 | Confident | 105 Ų | 105 | 104.2 Ų | 104.2 | 55% | 0.55 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.3 | -47.1 | 174.3 | -172.6 | 146.7 | 0 | 0 | 0 | 110.7 | L266 E267 Q268 E272 R273 E274 | L266-L270 VanDerWaalsContact O-CB 3.32Å; L266-L270 WeakPolarHBondContact O-CB 3.34Å; L266-L270 PolarHBondContact O-N 3.41Å; E267-L270 WeakPolarHBondContact O-CB 3.31Å; E267-L270 PolarHBondContact O-N 3.04Å; E267-L270 VanDerWaalsContact O-N 3.16Å; Q268-L270 PolarHBondContact O-N 3.03Å; L270-E272 VanDerWaalsContact C-N 3.34Å; L270-E272 PolarHBondContact O-N 3.45Å; L270-R273 CarbonylContact O-C 3.56Å; L270-R273 WeakPolarHBondContact O-CA 3.45Å; L270-R273 WeakPolarHBondContact O-CB 3.27Å; L270-R273 PolarHBondContact O-N 3.47Å; L270-E274 HydrophobicContact CD2-CG 4.16Å; L270-E274 PolarHBondContact O-N 2.89Å |
| 271 | L | 89.8 | Confident | 86.3 | Confident | 120 Ų | 120 | 103.3 Ų | 103.3 | 63% | 0.628 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.6 | -40.4 | 176.6 | -162.8 | 76.2 | 0 | 0 | 0 | 112.3 | E267 Q268 R273 E274 G275 | E267-L271 PolarHBondContact O-N 3.34Å; Q268-L271 PolarHBondContact O-N 2.9Å; L271-R273 VanDerWaalsContact C-N 3.29Å; L271-R273 PolarHBondContact O-N 3.4Å; L271-E274 PolarHBondContact O-N 3.33Å; L271-G275 PolarHBondContact O-N 3.12Å |
| 272 | E | 89 | Confident | 86.9 | Confident | 110 Ų | 110 | 104.8 Ų | 104.8 | 51% | 0.514 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -34.4 | 172.7 | -75.4 | 175.6 | -164.9 | 0 | 0 | 112.3 | Q268 L270 A276 | Q268-E272 HydrophobicContact CG-CG 4.48Å; Q268-E272 PolarHBondContact NE2-OE1 3.32Å; Q268-E272 WeakPolarHBondContact O-CB 3.42Å; Q268-E272 WeakPolarHBondContact O-CG 3.47Å; Q268-E272 PolarHBondContact O-N 3.49Å; L270-E272 VanDerWaalsContact C-N 3.34Å; L270-E272 PolarHBondContact O-N 3.45Å; E272-A276 WeakPolarHBondContact O-CB 3.39Å; E272-A276 PolarHBondContact O-N 3.39Å |
| 273 | R | 89.8 | Confident | 87.6 | Confident | 175 Ų | 175 | 104 Ų | 104 | 66% | 0.66 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -77.5 | -35.5 | 177.3 | -67.5 | -72.9 | 161.6 | 83.8 | 7.7 | 112.4 | K269 L270 L271 A276 L277 | K269-R273 WeakPolarHBondContact O-CB 3.38Å; K269-R273 WeakPolarHBondContact O-CG 3.42Å; K269-R273 PolarHBondContact O-N 3Å; K269-R273 VanDerWaalsContact O-N 3.15Å; L270-R273 CarbonylContact O-C 3.56Å; L270-R273 WeakPolarHBondContact O-CA 3.45Å; L270-R273 WeakPolarHBondContact O-CB 3.27Å; L270-R273 PolarHBondContact O-N 3.47Å; L271-R273 VanDerWaalsContact C-N 3.29Å; L271-R273 PolarHBondContact O-N 3.4Å; R273-A276 PolarHBondContact O-N 2.84Å; R273-L277 WeakPolarHBondContact O-CB 3.3Å; R273-L277 WeakPolarHBondContact O-CG 3.44Å; R273-L277 PolarHBondContact O-N 3.31Å |
| 274 | E | 87.4 | Confident | 88.1 | Confident | 110 Ų | 110 | 106 Ų | 106 | 51% | 0.514 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 168.4 | -69.4 | -173.6 | 137.5 | 0 | 0 | 110.8 | L270 L271 A276 L277 Q278 | L270-E274 HydrophobicContact CD2-CG 4.16Å; L270-E274 PolarHBondContact O-N 2.89Å; L271-E274 PolarHBondContact O-N 3.33Å; E274-A276 PolarHBondContact O-N 2.83Å; E274-L277 PolarHBondContact O-N 3.02Å; E274-Q278 WeakPolarHBondContact O-CB 3.49Å; E274-Q278 PolarHBondContact O-N 3.44Å |
| 275 | G | 89.6 | Confident | 88.4 | Confident | 29 Ų | 29 | 104.6 Ų | 104.6 | 30% | 0.299 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -26.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L271 K279 | L271-G275 PolarHBondContact O-N 3.12Å; G275-K279 WeakPolarHBondContact O-CD 3.35Å; G275-K279 VanDerWaalsContact O-CG 3.28Å; G275-K279 WeakPolarHBondContact O-CG 3.42Å |
| 276 | A | 90.3 | Very high | 88.7 | Confident | 48 Ų | 48 | 105.1 Ų | 105.1 | 40% | 0.397 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -78.4 | -42.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E272 R273 E274 Q278 K279 L280 | E272-A276 WeakPolarHBondContact O-CB 3.39Å; E272-A276 PolarHBondContact O-N 3.39Å; R273-A276 PolarHBondContact O-N 2.84Å; E274-A276 PolarHBondContact O-N 2.83Å; A276-Q278 PolarHBondContact O-N 2.89Å; A276-K279 PolarHBondContact O-N 3.03Å; A276-L280 PolarHBondContact O-N 2.92Å |
| 277 | L | 86.6 | Confident | 88.9 | Confident | 103 Ų | 103 | 106.3 Ų | 106.3 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.9 | -44.6 | 174.9 | -76.3 | 166.5 | 0 | 0 | 0 | 111.3 | R273 E274 K279 L280 Q281 | R273-L277 WeakPolarHBondContact O-CB 3.3Å; R273-L277 WeakPolarHBondContact O-CG 3.44Å; R273-L277 PolarHBondContact O-N 3.31Å; E274-L277 PolarHBondContact O-N 3.02Å; L277-K279 PolarHBondContact O-N 3.37Å; L277-L280 CarbonylContact O-C 3.56Å; L277-L280 WeakPolarHBondContact O-CB 3.31Å; L277-L280 PolarHBondContact O-N 2.95Å; L277-Q281 WeakPolarHBondContact O-CG 3.44Å; L277-Q281 PolarHBondContact O-N 3.41Å |
| 278 | Q | 89.8 | Confident | 89.1 | Confident | 125 Ų | 125 | 106 Ų | 106 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.1 | -17.9 | 179.5 | -157.5 | -176 | 62.7 | 0 | 0 | 113.5 | E274 A276 R282 | E274-Q278 WeakPolarHBondContact O-CB 3.49Å; E274-Q278 PolarHBondContact O-N 3.44Å; A276-Q278 PolarHBondContact O-N 2.89Å; Q278-R282 PolarHBondContact O-NE 3.23Å; Q278-R282 PolarHBondContact O-NH2 2.67Å |
| 279 | K | 89.9 | Confident | 89 | Confident | 139 Ų | 139 | 106 Ų | 106 | 60% | 0.604 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -81.2 | -39.3 | 166.5 | -72.2 | 166.3 | -173.3 | 170.6 | 0 | 111.4 | G275 A276 L277 S283 | G275-K279 WeakPolarHBondContact O-CD 3.35Å; G275-K279 VanDerWaalsContact O-CG 3.28Å; G275-K279 WeakPolarHBondContact O-CG 3.42Å; A276-K279 PolarHBondContact O-N 3.03Å; L277-K279 PolarHBondContact O-N 3.37Å; K279-S283 PolarHBondContact O-N 2.92Å |
| 280 | L | 89.6 | Confident | 88.9 | Confident | 114 Ų | 114 | 104.4 Ų | 104.4 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.5 | -39.2 | 178.4 | -173.5 | 63.8 | 0 | 0 | 0 | 112 | A276 L277 S283 L284 | A276-L280 PolarHBondContact O-N 2.92Å; L277-L280 CarbonylContact O-C 3.56Å; L277-L280 WeakPolarHBondContact O-CB 3.31Å; L277-L280 PolarHBondContact O-N 2.95Å; L280-S283 PolarHBondContact O-N 3.22Å; L280-L284 WeakPolarHBondContact O-CB 3.41Å; L280-L284 PolarHBondContact O-N 2.85Å |
| 281 | Q | 89.6 | Confident | 88.6 | Confident | 110 Ų | 110 | 102.3 Ų | 102.3 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56.7 | -55 | 173.9 | -76.6 | 172.2 | -46.4 | 0 | 0 | 111.2 | L277 S283 L284 E285 | L277-Q281 WeakPolarHBondContact O-CG 3.44Å; L277-Q281 PolarHBondContact O-N 3.41Å; Q281-S283 VanDerWaalsContact C-N 3.33Å; Q281-S283 PolarHBondContact O-N 2.91Å; Q281-L284 CarbonylContact O-C 3.59Å; Q281-L284 WeakPolarHBondContact O-CA 3.48Å; Q281-L284 WeakPolarHBondContact O-CB 3.39Å; Q281-L284 PolarHBondContact O-N 3.36Å; Q281-E285 WeakPolarHBondContact O-CG 3.42Å; Q281-E285 PolarHBondContact O-N 2.9Å |
| 282 | R | 90.1 | Very high | 88 | Confident | 111 Ų | 111 | 99.6 Ų | 99.6 | 42% | 0.419 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.4 | -38.7 | 176.7 | -72.6 | 178.2 | -67.6 | 110.6 | -8.4 | 113.3 | Q278 L284 E285 E286 | Q278-R282 PolarHBondContact O-NE 3.23Å; Q278-R282 PolarHBondContact O-NH2 2.67Å; R282-L284 PolarHBondContact O-N 2.94Å; R282-E285 PolarHBondContact O-N 3.36Å; R282-E286 WeakPolarHBondContact O-CB 3.29Å; R282-E286 WeakPolarHBondContact O-CG 3.48Å; R282-E286 PolarHBondContact O-N 2.98Å |
| 283 | S | 91 | Very high | 87.5 | Confident | 34 Ų | 34 | 100.1 Ų | 100.1 | 24% | 0.238 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -67.8 | -24.2 | 174 | -168.4 | 0 | 0 | 0 | 0 | 113.3 | K279 L280 Q281 K287 | K279-S283 PolarHBondContact O-N 2.92Å; L280-S283 PolarHBondContact O-N 3.22Å; Q281-S283 VanDerWaalsContact C-N 3.33Å; Q281-S283 PolarHBondContact O-N 2.91Å; S283-K287 WeakPolarHBondContact O-CB 3.36Å; S283-K287 VanDerWaalsContact O-CD 3.28Å; S283-K287 WeakPolarHBondContact O-CD 3.34Å; S283-K287 WeakPolarHBondContact O-CG 3.23Å; S283-K287 PolarHBondContact O-N 2.9Å; S283-K287 PolarHBondContact OG-NZ 2.92Å; S283-K287 VanDerWaalsContact OG-NZ 3.16Å |
| 284 | L | 88.4 | Confident | 86.9 | Confident | 107 Ų | 107 | 93.5 Ų | 93.5 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -79.4 | -43.7 | 173.5 | -171.7 | 146.9 | 0 | 0 | 0 | 110.7 | L280 Q281 R282 K287 E288 | L280-L284 WeakPolarHBondContact O-CB 3.41Å; L280-L284 PolarHBondContact O-N 2.85Å; Q281-L284 CarbonylContact O-C 3.59Å; Q281-L284 WeakPolarHBondContact O-CA 3.48Å; Q281-L284 WeakPolarHBondContact O-CB 3.39Å; Q281-L284 PolarHBondContact O-N 3.36Å; R282-L284 PolarHBondContact O-N 2.94Å; L284-K287 CarbonylContact O-C 3.58Å; L284-K287 PolarHBondContact O-N 3.28Å; L284-K287 VanDerWaalsContact O-N 3.15Å; L284-E288 WeakPolarHBondContact O-CB 3.36Å; L284-E288 PolarHBondContact O-N 2.93Å |
| 285 | E | 91.4 | Very high | 86.2 | Confident | 103 Ų | 103 | 95.6 Ų | 95.6 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 172.5 | -67.7 | 158.1 | -168.9 | 0 | 0 | 111.3 | Q281 R282 K287 E288 L289 | Q281-E285 WeakPolarHBondContact O-CG 3.42Å; Q281-E285 PolarHBondContact O-N 2.9Å; R282-E285 PolarHBondContact O-N 3.36Å; E285-K287 VanDerWaalsContact C-N 3.29Å; E285-K287 PolarHBondContact O-N 2.93Å; E285-E288 PolarHBondContact O-N 3.45Å; E285-L289 WeakPolarHBondContact O-CB 3.37Å; E285-L289 WeakPolarHBondContact O-CG 2.91Å; E285-L289 PolarHBondContact O-N 3.24Å |
| 286 | E | 90.4 | Very high | 85.5 | Confident | 117 Ų | 117 | 99.7 Ų | 99.7 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.3 | -41.1 | 173.7 | -74.5 | 163 | -170.3 | 0 | 0 | 112.2 | R282 A290 | R282-E286 WeakPolarHBondContact O-CB 3.29Å; R282-E286 WeakPolarHBondContact O-CG 3.48Å; R282-E286 PolarHBondContact O-N 2.98Å; E286-A290 WeakPolarHBondContact O-CB 3.41Å; E286-A290 PolarHBondContact O-N 2.89Å |
| 287 | K | 87 | Confident | 84.4 | Confident | 138 Ų | 138 | 101.5 Ų | 101.5 | 60% | 0.6 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -77.2 | -30.2 | 178.5 | -76.3 | 170.1 | -174.5 | 147.2 | 0 | 113.2 | S283 L284 E285 S291 | S283-K287 WeakPolarHBondContact O-CB 3.36Å; S283-K287 VanDerWaalsContact O-CD 3.28Å; S283-K287 WeakPolarHBondContact O-CD 3.34Å; S283-K287 WeakPolarHBondContact O-CG 3.23Å; S283-K287 PolarHBondContact O-N 2.9Å; S283-K287 PolarHBondContact OG-NZ 2.92Å; S283-K287 VanDerWaalsContact OG-NZ 3.16Å; L284-K287 CarbonylContact O-C 3.58Å; L284-K287 PolarHBondContact O-N 3.28Å; L284-K287 VanDerWaalsContact O-N 3.15Å; E285-K287 VanDerWaalsContact C-N 3.29Å; E285-K287 PolarHBondContact O-N 2.93Å; K287-S291 WeakPolarHBondContact O-CB 3.48Å; K287-S291 PolarHBondContact O-N 3.27Å |
| 288 | E | 88.2 | Confident | 83.4 | Confident | 119 Ų | 119 | 103.5 Ų | 103.5 | 56% | 0.556 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.6 | -42.4 | 174.4 | -177.5 | 168.9 | -161.6 | 0 | 0 | 110.5 | L284 E285 S291 S292 | L284-E288 WeakPolarHBondContact O-CB 3.36Å; L284-E288 PolarHBondContact O-N 2.93Å; E285-E288 PolarHBondContact O-N 3.45Å; E288-S291 PolarHBondContact O-N 2.92Å; E288-S292 VanDerWaalsContact O-CB 3.28Å; E288-S292 WeakPolarHBondContact O-CB 3.45Å; E288-S292 PolarHBondContact O-N 2.91Å; E288-S292 PolarHBondContact O-OG 3.46Å |
| 289 | L | 86.6 | Confident | 82 | Confident | 118 Ų | 118 | 101.5 Ų | 101.5 | 62% | 0.618 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.1 | -47.4 | 170.9 | -69.7 | 170 | 0 | 0 | 0 | 111.4 | E285 S291 S292 L293 | E285-L289 WeakPolarHBondContact O-CB 3.37Å; E285-L289 WeakPolarHBondContact O-CG 2.91Å; E285-L289 PolarHBondContact O-N 3.24Å; L289-S291 PolarHBondContact O-N 3.49Å; L289-S292 PolarHBondContact O-N 3.31Å; L289-L293 WeakPolarHBondContact O-CG 3.42Å; L289-L293 PolarHBondContact O-N 2.99Å |
| 290 | A | 84.6 | Confident | 80.6 | Confident | 57 Ų | 57 | 102 Ų | 102 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | E286 A294 | E286-A290 WeakPolarHBondContact O-CB 3.41Å; E286-A290 PolarHBondContact O-N 2.89Å; A290-A294 WeakPolarHBondContact O-CB 3.24Å; A290-A294 PolarHBondContact O-N 3.3Å |
| 291 | S | 80.6 | Confident | 79.1 | Confident | 61 Ų | 61 | 103.1 Ų | 103.1 | 43% | 0.427 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67 | -42 | 175.7 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | K287 E288 L289 A294 Y295 | K287-S291 WeakPolarHBondContact O-CB 3.48Å; K287-S291 PolarHBondContact O-N 3.27Å; E288-S291 PolarHBondContact O-N 2.92Å; L289-S291 PolarHBondContact O-N 3.49Å; S291-A294 CarbonylContact O-C 3.6Å; S291-A294 PolarHBondContact O-N 3.31Å; S291-Y295 WeakPolarHBondContact O-CB 3.37Å; S291-Y295 WeakPolarHBondContact O-CD2 3.29Å; S291-Y295 PolarHBondContact O-N 3.01Å |
| 292 | S | 78.4 | Confident | 77.5 | Confident | 64 Ų | 64 | 101.5 Ų | 101.5 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 177 | -60.9 | 0 | 0 | 0 | 0 | 111.4 | E288 L289 A294 Y295 E296 | E288-S292 VanDerWaalsContact O-CB 3.28Å; E288-S292 WeakPolarHBondContact O-CB 3.45Å; E288-S292 PolarHBondContact O-N 2.91Å; E288-S292 PolarHBondContact O-OG 3.46Å; L289-S292 PolarHBondContact O-N 3.31Å; S292-A294 VanDerWaalsContact C-N 3.34Å; S292-A294 PolarHBondContact O-N 3.2Å; S292-Y295 CarbonylContact O-C 3.6Å; S292-Y295 PolarHBondContact O-N 3.3Å; S292-Y295 VanDerWaalsContact O-N 3.08Å; S292-E296 PolarHBondContact O-N 2.93Å |
| 293 | L | 79.2 | Confident | 76.1 | Confident | 120 Ų | 120 | 104.5 Ų | 104.5 | 63% | 0.628 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.6 | -44.3 | 173.3 | -71.7 | 169 | 0 | 0 | 0 | 111.7 | L289 Y295 E296 E297 | L289-L293 WeakPolarHBondContact O-CG 3.42Å; L289-L293 PolarHBondContact O-N 2.99Å; L293-Y295 VanDerWaalsContact C-N 3.27Å; L293-Y295 PolarHBondContact O-N 3.47Å; L293-E296 PolarHBondContact O-N 2.95Å; L293-E297 WeakPolarHBondContact O-CB 3.42Å; L293-E297 PolarHBondContact O-N 2.96Å |
| 294 | A | 76.7 | Confident | 74.5 | Confident | 36 Ų | 36 | 107.8 Ų | 107.8 | 30% | 0.298 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.8 | -25.9 | 176 | 0 | 0 | 0 | 0 | 0 | 113.5 | A290 S291 S292 R298 | A290-A294 WeakPolarHBondContact O-CB 3.24Å; A290-A294 PolarHBondContact O-N 3.3Å; S291-A294 CarbonylContact O-C 3.6Å; S291-A294 PolarHBondContact O-N 3.31Å; S292-A294 VanDerWaalsContact C-N 3.34Å; S292-A294 PolarHBondContact O-N 3.2Å; A294-R298 VanDerWaalsContact O-CG 3.31Å; A294-R298 WeakPolarHBondContact O-CG 3.18Å; A294-R298 PolarHBondContact O-N 2.81Å |
| 295 | Y | 73.1 | Confident | 73.1 | Confident | 155 Ų | 155 | 110.3 Ų | 110.3 | 61% | 0.608 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -81.4 | -26.1 | 173.4 | -98.9 | -75.6 | 0 | 0 | 0 | 113.6 | S291 S292 L293 P299 | S291-Y295 WeakPolarHBondContact O-CB 3.37Å; S291-Y295 WeakPolarHBondContact O-CD2 3.29Å; S291-Y295 PolarHBondContact O-N 3.01Å; S292-Y295 CarbonylContact O-C 3.6Å; S292-Y295 PolarHBondContact O-N 3.3Å; S292-Y295 VanDerWaalsContact O-N 3.08Å; L293-Y295 VanDerWaalsContact C-N 3.27Å; L293-Y295 PolarHBondContact O-N 3.47Å; Y295-P299 WeakPolarHBondContact O-CD 3.23Å; Y295-P299 WeakPolarHBondContact O-CG 3.21Å |
| 296 | E | 74.3 | Confident | 71.5 | Confident | 114 Ų | 114 | 112.9 Ų | 112.9 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -77.7 | -35.9 | 167.2 | -71.1 | -152.5 | 152.1 | 0 | 0 | 112.7 | S292 L293 P299 R300 | S292-E296 PolarHBondContact O-N 2.93Å; L293-E296 PolarHBondContact O-N 2.95Å; E296-P299 WeakPolarHBondContact O-CD 3.49Å; E296-R300 IonicContact OE2-NH2 3.31Å; E296-R300 PolarHBondContact OE2-NH2 2.85Å |
| 297 | E | 66.1 | Low | 69.8 | Low | 86 Ų | 86 | 114.2 Ų | 114.2 | 40% | 0.402 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -72.4 | -32.8 | -176.9 | -160.2 | -169.4 | -168.7 | 0 | 0 | 112.3 | L293 R300 R301 | L293-E297 WeakPolarHBondContact O-CB 3.42Å; L293-E297 PolarHBondContact O-N 2.96Å; E297-R300 PolarHBondContact O-N 3.33Å; E297-R301 VanDerWaalsContact CD-NH1 3.35Å; E297-R301 PolarHBondContact O-N 3.12Å; E297-R301 IonicContact OE1-CZ 3.11Å; E297-R301 IonicContact OE1-NH1 2.7Å; E297-R301 PolarHBondContact OE1-NH1 2.84Å; E297-R301 IonicContact OE1-NH2 2.83Å; E297-R301 PolarHBondContact OE1-NH2 3.18Å; E297-R301 IonicContact OE2-CZ 3.58Å; E297-R301 IonicContact OE2-NH1 3.93Å; E297-R301 IonicContact OE2-NH2 2.78Å; E297-R301 PolarHBondContact OE2-NH2 2.75Å |
| 298 | R | 67.3 | Low | 68 | Low | 146 Ų | 146 | 110 Ų | 110 | 55% | 0.551 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.3 | -53.3 | 177.6 | -85.6 | 171.7 | 179.9 | 143.3 | 0.1 | 113.3 | A294 R300 R301 C302 | A294-R298 VanDerWaalsContact O-CG 3.31Å; A294-R298 WeakPolarHBondContact O-CG 3.18Å; A294-R298 PolarHBondContact O-N 2.81Å; R298-R300 PolarHBondContact O-N 3.13Å; R298-R301 PolarHBondContact O-N 3.32Å; R298-C302 PolarHBondContact O-N 3.3Å; R298-C302 PolarHBondContact O-SG 3.26Å |
| 299 | P | 60 | Low | 66.3 | Low | 82 Ų | 82 | 110.4 Ų | 110.4 | 53% | 0.532 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -56.8 | -33.6 | 172.6 | -27.4 | 34.8 | 0 | 0 | 0 | 113.7 | Y295 E296 R303 | Y295-P299 WeakPolarHBondContact O-CD 3.23Å; Y295-P299 WeakPolarHBondContact O-CG 3.21Å; E296-P299 WeakPolarHBondContact O-CD 3.49Å; P299-R303 VanDerWaalsContact O-CB 3.3Å; P299-R303 WeakPolarHBondContact O-CB 3.49Å; P299-R303 PolarHBondContact O-N 3.49Å |
| 300 | R | 60.3 | Low | 64.7 | Low | 151 Ų | 151 | 111 Ų | 111 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.6 | -53.7 | 175.2 | -66.1 | -177 | -168.7 | 167.6 | 13.3 | 110.7 | E296 E297 R298 C302 R303 D304 | E296-R300 IonicContact OE2-NH2 3.31Å; E296-R300 PolarHBondContact OE2-NH2 2.85Å; E297-R300 PolarHBondContact O-N 3.33Å; R298-R300 PolarHBondContact O-N 3.13Å; R300-C302 VanDerWaalsContact C-N 3.3Å; R300-C302 PolarHBondContact O-N 2.91Å; R300-R303 WeakPolarHBondContact O-CA 3.47Å; R300-R303 VanDerWaalsContact O-CB 3.31Å; R300-R303 WeakPolarHBondContact O-CB 3.23Å; R300-R303 PolarHBondContact O-N 2.86Å; R300-D304 PolarHBondContact O-N 2.9Å |
| 301 | R | 57.3 | Low | 63.3 | Low | 137 Ų | 137 | 113.9 Ų | 113.9 | 52% | 0.517 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -55 | -43.3 | 175.3 | -63.5 | -150.8 | -141.4 | -63.9 | -3.1 | 113 | E297 R298 R303 D304 E305 | E297-R301 VanDerWaalsContact CD-NH1 3.35Å; E297-R301 PolarHBondContact O-N 3.12Å; E297-R301 IonicContact OE1-CZ 3.11Å; E297-R301 IonicContact OE1-NH1 2.7Å; E297-R301 PolarHBondContact OE1-NH1 2.84Å; E297-R301 IonicContact OE1-NH2 2.83Å; E297-R301 PolarHBondContact OE1-NH2 3.18Å; E297-R301 IonicContact OE2-CZ 3.58Å; E297-R301 IonicContact OE2-NH1 3.93Å; E297-R301 IonicContact OE2-NH2 2.78Å; E297-R301 PolarHBondContact OE2-NH2 2.75Å; R298-R301 PolarHBondContact O-N 3.32Å; R301-R303 VanDerWaalsContact C-N 3.26Å; R301-R303 PolarHBondContact O-N 3.37Å; R301-D304 PolarHBondContact O-N 2.78Å; R301-E305 WeakPolarHBondContact O-CB 3.48Å; R301-E305 WeakPolarHBondContact O-CG 3.08Å; R301-E305 PolarHBondContact O-N 2.83Å |
| 302 | C | 57 | Low | 62.1 | Low | 76 Ų | 76 | 116.9 Ų | 116.9 | 51% | 0.514 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70 | -19.7 | 178.1 | -66.5 | 0 | 0 | 0 | 0 | 113.9 | R298 R300 L306 | R298-C302 PolarHBondContact O-N 3.3Å; R298-C302 PolarHBondContact O-SG 3.26Å; R300-C302 VanDerWaalsContact C-N 3.3Å; R300-C302 PolarHBondContact O-N 2.91Å; C302-L306 WeakPolarHBondContact O-CD1 3.47Å |
| 303 | R | 59.9 | Low | 61 | Low | 174 Ų | 174 | 115.6 Ų | 115.6 | 66% | 0.657 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -79.7 | -46.7 | 171.5 | -167.2 | 177.6 | -158.7 | -103 | 3.5 | 110.3 | P299 R300 R301 E305 L306 E307 | P299-R303 VanDerWaalsContact O-CB 3.3Å; P299-R303 WeakPolarHBondContact O-CB 3.49Å; P299-R303 PolarHBondContact O-N 3.49Å; R300-R303 WeakPolarHBondContact O-CA 3.47Å; R300-R303 VanDerWaalsContact O-CB 3.31Å; R300-R303 WeakPolarHBondContact O-CB 3.23Å; R300-R303 PolarHBondContact O-N 2.86Å; R301-R303 VanDerWaalsContact C-N 3.26Å; R301-R303 PolarHBondContact O-N 3.37Å; R303-E305 VanDerWaalsContact C-N 3.32Å; R303-E305 PolarHBondContact O-N 2.7Å; R303-L306 PolarHBondContact O-N 3.18Å; R303-E307 PolarHBondContact O-N 2.92Å |
| 304 | D | 57.7 | Low | 60.2 | Low | 102 Ų | 102 | 112.4 Ų | 112.4 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.2 | -38 | 178.9 | -52 | -24.9 | 0 | 0 | 0 | 111.3 | R300 R301 L306 E307 | R300-D304 PolarHBondContact O-N 2.9Å; R301-D304 PolarHBondContact O-N 2.78Å; D304-L306 VanDerWaalsContact C-N 3.3Å; D304-L306 PolarHBondContact O-N 3.46Å; D304-E307 PolarHBondContact O-N 3.28Å |
| 305 | E | 58.6 | Low | 59.5 | Low | 161 Ų | 161 | 114.9 Ų | 114.9 | 75% | 0.752 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -21.6 | 173.2 | -77.8 | -167.7 | 143.8 | 0 | 0 | 114.3 | R301 R303 | R301-E305 WeakPolarHBondContact O-CB 3.48Å; R301-E305 WeakPolarHBondContact O-CG 3.08Å; R301-E305 PolarHBondContact O-N 2.83Å; R303-E305 VanDerWaalsContact C-N 3.32Å; R303-E305 PolarHBondContact O-N 2.7Å |
| 306 | L | 58.7 | Low | 59.5 | Low | 157 Ų | 157 | 114 Ų | 114 | 82% | 0.822 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -16.2 | 173 | -103.9 | 85.5 | 0 | 0 | 0 | 113.1 | C302 R303 D304 | C302-L306 WeakPolarHBondContact O-CD1 3.47Å; R303-L306 PolarHBondContact O-N 3.18Å; D304-L306 VanDerWaalsContact C-N 3.3Å; D304-L306 PolarHBondContact O-N 3.46Å |
| 307 | E | 54.9 | Low | 59.5 | Low | 144 Ų | 144 | 114.6 Ų | 114.6 | 67% | 0.673 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -93.9 | 2.1 | -175.9 | -150.1 | 150.4 | -137.7 | 0 | 0 | 112.6 | R303 D304 P309 | R303-E307 PolarHBondContact O-N 2.92Å; D304-E307 PolarHBondContact O-N 3.28Å; E307-P309 WeakPolarHBondContact O-CD 3.37Å |
| 308 | G | 48.5 | Very low | 60.1 | Low | 50 Ų | 50 | 118.5 Ų | 118.5 | 52% | 0.515 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -88.9 | 112.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | E310 | G308-E310 PolarHBondContact O-N 2.9Š|
| 309 | P | 53.6 | Low | 60.8 | Low | 128 Ų | 128 | 118.2 Ų | 118.2 | 83% | 0.831 | 62% | 0.62 | S | S | * | * | trans | -83.2 | 76.8 | -171.9 | 33.4 | -36.8 | 0 | 0 | 0 | 113.9 | E307 P311 | E307-P309 WeakPolarHBondContact O-CD 3.37Å; P309-P311 WeakPolarHBondContact O-CD 3.47Å | ||
| 310 | E | 52.3 | Low | 61.9 | Low | 129 Ų | 129 | 117.2 Ų | 117.2 | 60% | 0.603 | 62% | 0.619 | S | S | * | * | trans | -91.8 | 114.3 | 176.1 | -107.9 | -70.4 | 115 | 0 | 0 | 112.9 | G308 K312 | G308-E310 PolarHBondContact O-N 2.9Å; E310-K312 PolarHBondContact O-N 2.98Å; E310-K312 IonicContact OE1-NZ 3.74Å; E310-K312 IonicContact OE2-NZ 2.67Å; E310-K312 PolarHBondContact OE2-NZ 3.24Å | ||
| 311 | P | 54.1 | Low | 63 | Low | 119 Ų | 119 | 113.7 Ų | 113.7 | 77% | 0.773 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -80.4 | 46.9 | -169.8 | 33.7 | -37.6 | 0 | 0 | 0 | 114.4 | P309 | P309-P311 WeakPolarHBondContact O-CD 3.47Š|
| 312 | K | 55.4 | Low | 64.5 | Low | 124 Ų | 124 | 111.8 Ų | 111.8 | 54% | 0.539 | 61% | 0.614 | S | S | . | * | trans | -116.4 | 15.1 | 178.5 | -62.5 | -172.6 | -174.3 | 92.8 | 0 | 114.2 | E310 | E310-K312 PolarHBondContact O-N 2.98Å; E310-K312 IonicContact OE1-NZ 3.74Å; E310-K312 IonicContact OE2-NZ 2.67Å; E310-K312 PolarHBondContact OE2-NZ 3.24Å | ||
| 313 | G | 56.2 | Low | 66.2 | Low | 36 Ų | 36 | 115.9 Ų | 115.9 | 37% | 0.371 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.9 | -37 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S315 K316 L317 | G313-S315 PolarHBondContact O-N 3.05Å; G313-K316 PolarHBondContact O-N 3.47Å; G313-L317 PolarHBondContact O-N 2.77Å |
| 314 | G | 61.6 | Low | 67.6 | Low | 54 Ų | 54 | 110.5 Ų | 110.5 | 56% | 0.557 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -63.5 | -42.6 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116 | K318 | G314-K318 WeakPolarHBondContact O-CG 3.31Å; G314-K318 PolarHBondContact O-N 3.01Å |
| 315 | S | 63.5 | Low | 69.3 | Low | 88 Ų | 88 | 110.9 Ų | 110.9 | 62% | 0.615 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.8 | -40 | 176 | 52.9 | 0 | 0 | 0 | 0 | 111.7 | G313 K318 Q319 | G313-S315 PolarHBondContact O-N 3.05Å; S315-K318 PolarHBondContact O-N 3.08Å; S315-Q319 WeakPolarHBondContact O-CB 3.35Å; S315-Q319 PolarHBondContact O-N 3.43Å |
| 316 | K | 72 | Confident | 71 | Confident | 136 Ų | 136 | 110 Ų | 110 | 59% | 0.591 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.2 | -43.7 | 175.3 | -68.4 | -177.2 | 177.9 | -177.8 | 0 | 111.9 | G313 Q319 A320 | G313-K316 PolarHBondContact O-N 3.47Å; K316-Q319 PolarHBondContact O-N 2.83Å; K316-A320 VanDerWaalsContact O-CB 3.27Å; K316-A320 WeakPolarHBondContact O-CB 3.34Å; K316-A320 PolarHBondContact O-N 2.68Å |
| 317 | L | 74.3 | Confident | 72.7 | Confident | 127 Ų | 127 | 104.9 Ų | 104.9 | 67% | 0.665 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.9 | -46.1 | 175.2 | -106.5 | 76.4 | 0 | 0 | 0 | 111.9 | G313 Q319 A320 S321 | G313-L317 PolarHBondContact O-N 2.77Å; L317-Q319 VanDerWaalsContact C-N 3.34Å; L317-Q319 PolarHBondContact O-N 2.74Å; L317-A320 PolarHBondContact O-N 2.91Å; L317-S321 VanDerWaalsContact O-CB 3.28Å; L317-S321 WeakPolarHBondContact O-CB 3.31Å; L317-S321 PolarHBondContact O-N 2.95Å |
| 318 | K | 78.8 | Confident | 74.6 | Confident | 168 Ų | 168 | 103.9 Ų | 103.9 | 73% | 0.73 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.1 | -41.5 | 177.6 | -72.8 | -179.4 | 179.2 | -176.2 | 0 | 111.7 | G314 S315 Q322 | G314-K318 WeakPolarHBondContact O-CG 3.31Å; G314-K318 PolarHBondContact O-N 3.01Å; S315-K318 PolarHBondContact O-N 3.08Å; K318-Q322 WeakPolarHBondContact O-CB 3.42Å; K318-Q322 PolarHBondContact O-N 3.27Å |
| 319 | Q | 82.1 | Confident | 76.8 | Confident | 140 Ų | 140 | 106.8 Ų | 106.8 | 65% | 0.654 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67 | -42 | 176.2 | -168 | -179.7 | 32.6 | 0 | 0 | 112.3 | S315 K316 L317 Q322 K323 | S315-Q319 WeakPolarHBondContact O-CB 3.35Å; S315-Q319 PolarHBondContact O-N 3.43Å; K316-Q319 PolarHBondContact O-N 2.83Å; L317-Q319 VanDerWaalsContact C-N 3.34Å; L317-Q319 PolarHBondContact O-N 2.74Å; Q319-Q322 PolarHBondContact O-N 3.03Å; Q319-K323 WeakPolarHBondContact O-CB 3.36Å; Q319-K323 PolarHBondContact O-N 2.96Å |
| 320 | A | 82.7 | Confident | 78.9 | Confident | 60 Ų | 60 | 105 Ų | 105 | 50% | 0.496 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.4 | -42.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | K316 L317 K323 S324 | K316-A320 VanDerWaalsContact O-CB 3.27Å; K316-A320 WeakPolarHBondContact O-CB 3.34Å; K316-A320 PolarHBondContact O-N 2.68Å; L317-A320 PolarHBondContact O-N 2.91Å; A320-K323 PolarHBondContact O-N 3.33Å; A320-S324 WeakPolarHBondContact O-CB 3.47Å; A320-S324 PolarHBondContact O-N 2.88Å |
| 321 | S | 85 | Confident | 81 | Confident | 78 Ų | 78 | 103.8 Ų | 103.8 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.3 | -46.7 | 173.7 | -174.9 | 0 | 0 | 0 | 0 | 111.5 | L317 K323 S324 Q325 | L317-S321 VanDerWaalsContact O-CB 3.28Å; L317-S321 WeakPolarHBondContact O-CB 3.31Å; L317-S321 PolarHBondContact O-N 2.95Å; S321-K323 PolarHBondContact O-N 3.46Å; S321-S324 WeakPolarHBondContact O-CB 3.3Å; S321-S324 PolarHBondContact O-N 2.68Å; S321-Q325 WeakPolarHBondContact O-CB 3.42Å; S321-Q325 PolarHBondContact O-N 3.35Å |
| 322 | Q | 88.8 | Confident | 83.1 | Confident | 97 Ų | 97 | 103.8 Ų | 103.8 | 45% | 0.453 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.9 | -37.2 | 177.3 | -165.3 | -176.2 | 40.1 | 0 | 0 | 112.1 | K318 Q319 Q325 R326 | K318-Q322 WeakPolarHBondContact O-CB 3.42Å; K318-Q322 PolarHBondContact O-N 3.27Å; Q319-Q322 PolarHBondContact O-N 3.03Å; Q322-Q325 PolarHBondContact O-N 3.23Å; Q322-R326 VanDerWaalsContact CD-NH2 3.32Å; Q322-R326 WeakPolarHBondContact O-CG 3.28Å; Q322-R326 PolarHBondContact O-N 2.71Å |
| 323 | K | 91.1 | Very high | 85.1 | Confident | 162 Ų | 162 | 103.3 Ų | 103.3 | 70% | 0.704 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.9 | -41.6 | 173.9 | -173 | 179.5 | 178.9 | -176.5 | 0 | 111.4 | Q319 A320 S321 R326 A327 | Q319-K323 WeakPolarHBondContact O-CB 3.36Å; Q319-K323 PolarHBondContact O-N 2.96Å; A320-K323 PolarHBondContact O-N 3.33Å; S321-K323 PolarHBondContact O-N 3.46Å; K323-R326 PolarHBondContact O-N 3.46Å; K323-A327 WeakPolarHBondContact O-CB 3.25Å; K323-A327 PolarHBondContact O-N 3.01Å |
| 324 | S | 89.8 | Confident | 87.1 | Confident | 60 Ų | 60 | 107 Ų | 107 | 42% | 0.42 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62 | -47.7 | 175 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | A320 S321 R326 A327 Q328 | A320-S324 WeakPolarHBondContact O-CB 3.47Å; A320-S324 PolarHBondContact O-N 2.88Å; S321-S324 WeakPolarHBondContact O-CB 3.3Å; S321-S324 PolarHBondContact O-N 2.68Å; S324-R326 PolarHBondContact O-N 2.83Å; S324-A327 WeakPolarHBondContact O-CB 3.38Å; S324-A327 PolarHBondContact O-N 3.2Å; S324-A327 VanDerWaalsContact O-N 3.12Å; S324-Q328 WeakPolarHBondContact O-CG 3.3Å; S324-Q328 PolarHBondContact O-N 3.12Å |
| 325 | Q | 93.5 | Very high | 88.8 | Confident | 110 Ų | 110 | 107.9 Ų | 107.9 | 51% | 0.514 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.8 | -41.1 | 177.6 | -168.3 | -179.8 | 25.9 | 0 | 0 | 112.5 | S321 Q322 Q328 Q329 | S321-Q325 WeakPolarHBondContact O-CB 3.42Å; S321-Q325 PolarHBondContact O-N 3.35Å; Q322-Q325 PolarHBondContact O-N 3.23Å; Q325-Q328 PolarHBondContact O-N 2.84Å; Q325-Q329 WeakPolarHBondContact O-CG 3.33Å; Q325-Q329 PolarHBondContact O-N 2.92Å |
| 326 | R | 93.8 | Very high | 90.4 | Very high | 143 Ų | 143 | 107.5 Ų | 107.5 | 54% | 0.54 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.4 | -40 | 173.5 | -70.5 | 176.7 | -169.1 | -175.7 | 6.6 | 112.1 | Q322 K323 S324 Q329 V330 | Q322-R326 VanDerWaalsContact CD-NH2 3.32Å; Q322-R326 WeakPolarHBondContact O-CG 3.28Å; Q322-R326 PolarHBondContact O-N 2.71Å; K323-R326 PolarHBondContact O-N 3.46Å; S324-R326 PolarHBondContact O-N 2.83Å; R326-Q329 PolarHBondContact O-N 3.38Å; R326-V330 WeakPolarHBondContact O-CG2 3.41Å; R326-V330 PolarHBondContact O-N 2.75Å |
| 327 | A | 93.9 | Very high | 91.7 | Very high | 50 Ų | 50 | 105.4 Ų | 105.4 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | K323 S324 Q329 V330 L331 | K323-A327 WeakPolarHBondContact O-CB 3.25Å; K323-A327 PolarHBondContact O-N 3.01Å; S324-A327 WeakPolarHBondContact O-CB 3.38Å; S324-A327 PolarHBondContact O-N 3.2Å; S324-A327 VanDerWaalsContact O-N 3.12Å; A327-Q329 PolarHBondContact O-N 3.22Å; A327-V330 PolarHBondContact O-N 2.86Å; A327-L331 WeakPolarHBondContact O-CB 3.42Å; A327-L331 VanDerWaalsContact O-CG 3.31Å; A327-L331 WeakPolarHBondContact O-CG 3.38Å; A327-L331 PolarHBondContact O-N 3.31Å |
| 328 | Q | 95 | Very high | 92.8 | Very high | 123 Ų | 123 | 103.8 Ų | 103.8 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61 | -41.6 | 173.2 | -72.4 | 173.6 | -13.9 | 0 | 0 | 112.1 | S324 Q325 L331 H332 | S324-Q328 WeakPolarHBondContact O-CG 3.3Å; S324-Q328 PolarHBondContact O-N 3.12Å; Q325-Q328 PolarHBondContact O-N 2.84Å; Q328-L331 PolarHBondContact O-N 3.33Å; Q328-H332 WeakPolarHBondContact O-CB 3.28Å; Q328-H332 PolarHBondContact O-N 2.82Å |
| 329 | Q | 96.2 | Very high | 93.7 | Very high | 110 Ų | 110 | 100.9 Ų | 100.9 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 174.9 | -73.7 | 169.8 | -17.5 | 0 | 0 | 112.1 | Q325 R326 A327 H332 L333 | Q325-Q329 WeakPolarHBondContact O-CG 3.33Å; Q325-Q329 PolarHBondContact O-N 2.92Å; R326-Q329 PolarHBondContact O-N 3.38Å; A327-Q329 PolarHBondContact O-N 3.22Å; Q329-H332 PolarHBondContact O-N 3.34Å; Q329-L333 WeakPolarHBondContact O-CG 3.33Å; Q329-L333 PolarHBondContact O-N 3.22Å |
| 330 | V | 97 | Very high | 94.5 | Very high | 92 Ų | 92 | 99.1 Ų | 99.1 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 177 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | R326 A327 H332 L333 Q334 | R326-V330 WeakPolarHBondContact O-CG2 3.41Å; R326-V330 PolarHBondContact O-N 2.75Å; A327-V330 PolarHBondContact O-N 2.86Å; V330-H332 VanDerWaalsContact C-N 3.33Å; V330-H332 PolarHBondContact O-N 3.05Å; V330-L333 PolarHBondContact O-N 3.13Å; V330-Q334 WeakPolarHBondContact O-CB 3.35Å; V330-Q334 PolarHBondContact O-N 3.48Å |
| 331 | L | 97.3 | Very high | 95.2 | Very high | 103 Ų | 103 | 100 Ų | 100 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -39.2 | 175.4 | -73.3 | 169.1 | 0 | 0 | 0 | 112 | A327 Q328 Q334 V335 | A327-L331 WeakPolarHBondContact O-CB 3.42Å; A327-L331 VanDerWaalsContact O-CG 3.31Å; A327-L331 WeakPolarHBondContact O-CG 3.38Å; A327-L331 PolarHBondContact O-N 3.31Å; Q328-L331 PolarHBondContact O-N 3.33Å; L331-Q334 PolarHBondContact O-N 2.9Å; L331-V335 WeakPolarHBondContact O-CG2 3.4Å; L331-V335 PolarHBondContact O-N 3.47Å |
| 332 | H | 97.6 | Very high | 95.8 | Very high | 119 Ų | 119 | 102.2 Ų | 102.2 | 55% | 0.551 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.4 | -44.5 | 176.1 | -173.1 | 78.3 | 0 | 0 | 0 | 111.8 | Q328 Q329 V330 Q334 V335 L336 | Q328-H332 WeakPolarHBondContact O-CB 3.28Å; Q328-H332 PolarHBondContact O-N 2.82Å; Q329-H332 PolarHBondContact O-N 3.34Å; V330-H332 VanDerWaalsContact C-N 3.33Å; V330-H332 PolarHBondContact O-N 3.05Å; H332-Q334 PolarHBondContact O-N 3.27Å; H332-V335 PolarHBondContact O-N 2.71Å; H332-L336 WeakPolarHBondContact O-CG 3.47Å; H332-L336 PolarHBondContact O-N 2.83Å |
| 333 | L | 97.6 | Very high | 96.3 | Very high | 114 Ų | 114 | 104.2 Ų | 104.2 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.7 | -41.8 | 173.4 | -69.5 | 170.4 | 0 | 0 | 0 | 111.9 | Q329 V330 V335 L336 Q337 | Q329-L333 WeakPolarHBondContact O-CG 3.33Å; Q329-L333 PolarHBondContact O-N 3.22Å; V330-L333 PolarHBondContact O-N 3.13Å; L333-V335 PolarHBondContact O-N 3.04Å; L333-L336 PolarHBondContact O-N 3.38Å; L333-Q337 WeakPolarHBondContact O-CB 3.4Å; L333-Q337 PolarHBondContact O-N 3.47Å |
| 334 | Q | 97.6 | Very high | 96.7 | Very high | 112 Ų | 112 | 101.2 Ų | 101.2 | 52% | 0.523 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 177.5 | -167.5 | 173.6 | 17.4 | 0 | 0 | 112.3 | V330 L331 H332 Q337 L338 | V330-Q334 WeakPolarHBondContact O-CB 3.35Å; V330-Q334 PolarHBondContact O-N 3.48Å; L331-Q334 PolarHBondContact O-N 2.9Å; H332-Q334 PolarHBondContact O-N 3.27Å; Q334-Q337 PolarHBondContact O-N 2.76Å; Q334-L338 HydrophobicContact CG-CD1 4.21Å; Q334-L338 WeakPolarHBondContact O-CB 3.16Å; Q334-L338 VanDerWaalsContact O-CG 3.29Å; Q334-L338 WeakPolarHBondContact O-CG 3.5Å; Q334-L338 PolarHBondContact O-N 3.15Å |
| 335 | V | 97.6 | Very high | 97.1 | Very high | 73 Ų | 73 | 103.6 Ų | 103.6 | 44% | 0.442 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 172.6 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | L331 H332 L333 Q339 | L331-V335 WeakPolarHBondContact O-CG2 3.4Å; L331-V335 PolarHBondContact O-N 3.47Å; H332-V335 PolarHBondContact O-N 2.71Å; L333-V335 PolarHBondContact O-N 3.04Å; V335-Q339 HydrophobicContact CG1-CG 4.49Å; V335-Q339 WeakPolarHBondContact O-CB 3.36Å; V335-Q339 VanDerWaalsContact O-CG 3.23Å; V335-Q339 WeakPolarHBondContact O-CG 3.17Å; V335-Q339 PolarHBondContact O-N 3.36Å |
| 336 | L | 97.9 | Very high | 97.3 | Very high | 80 Ų | 80 | 104.8 Ų | 104.8 | 42% | 0.419 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 175.8 | -69.8 | 171.4 | 0 | 0 | 0 | 112 | H332 L333 Q339 Q340 | H332-L336 WeakPolarHBondContact O-CG 3.47Å; H332-L336 PolarHBondContact O-N 2.83Å; L333-L336 PolarHBondContact O-N 3.38Å; L336-Q339 CarbonylContact O-C 3.59Å; L336-Q339 PolarHBondContact O-N 2.91Å; L336-Q340 PolarHBondContact O-N 3.35Å |
| 337 | Q | 98.3 | Very high | 97.5 | Very high | 92 Ų | 92 | 104.3 Ų | 104.3 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.8 | -51.2 | 175.1 | -179.4 | 62.2 | 24.7 | 0 | 0 | 111.4 | L333 Q334 Q339 Q340 E341 | L333-Q337 WeakPolarHBondContact O-CB 3.4Å; L333-Q337 PolarHBondContact O-N 3.47Å; Q334-Q337 PolarHBondContact O-N 2.76Å; Q337-Q339 PolarHBondContact O-N 2.85Å; Q337-Q340 WeakPolarHBondContact O-CA 3.39Å; Q337-Q340 WeakPolarHBondContact O-CB 3.41Å; Q337-Q340 PolarHBondContact O-N 2.87Å; Q337-E341 WeakPolarHBondContact CG-OE1 3.43Å; Q337-E341 PolarHBondContact NE2-OE1 2.9Å; Q337-E341 PolarHBondContact O-N 3.25Å |
| 338 | L | 98.2 | Very high | 97.7 | Very high | 94 Ų | 94 | 105.6 Ų | 105.6 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.7 | -31.7 | 176.1 | -71.4 | 167.5 | 0 | 0 | 0 | 112.3 | Q334 Q340 K342 | Q334-L338 HydrophobicContact CG-CD1 4.21Å; Q334-L338 WeakPolarHBondContact O-CB 3.16Å; Q334-L338 VanDerWaalsContact O-CG 3.29Å; Q334-L338 WeakPolarHBondContact O-CG 3.5Å; Q334-L338 PolarHBondContact O-N 3.15Å; L338-Q340 VanDerWaalsContact C-N 3.34Å; L338-K342 WeakPolarHBondContact O-CB 3.21Å; L338-K342 PolarHBondContact O-N 3.32Å |
| 339 | Q | 97.8 | Very high | 97.9 | Very high | 106 Ų | 106 | 104.6 Ų | 104.6 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73 | -22.8 | 172.2 | -75.9 | 178.8 | 17.9 | 0 | 0 | 113.5 | V335 L336 Q337 R343 | V335-Q339 HydrophobicContact CG1-CG 4.49Å; V335-Q339 WeakPolarHBondContact O-CB 3.36Å; V335-Q339 VanDerWaalsContact O-CG 3.23Å; V335-Q339 WeakPolarHBondContact O-CG 3.17Å; V335-Q339 PolarHBondContact O-N 3.36Å; L336-Q339 CarbonylContact O-C 3.59Å; L336-Q339 PolarHBondContact O-N 2.91Å; Q337-Q339 PolarHBondContact O-N 2.85Å; Q339-R343 WeakPolarHBondContact O-CG 3.39Å; Q339-R343 PolarHBondContact O-NE 3.15Å |
| 340 | Q | 98.4 | Very high | 98 | Very high | 104 Ų | 104 | 104.2 Ų | 104.2 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -78.4 | -50.3 | 170.3 | -180 | 167.9 | -27.9 | 0 | 0 | 111.1 | L336 Q337 L338 K342 R343 Q344 | L336-Q340 PolarHBondContact O-N 3.35Å; Q337-Q340 WeakPolarHBondContact O-CA 3.39Å; Q337-Q340 WeakPolarHBondContact O-CB 3.41Å; Q337-Q340 PolarHBondContact O-N 2.87Å; L338-Q340 VanDerWaalsContact C-N 3.34Å; Q340-K342 VanDerWaalsContact C-N 3.31Å; Q340-K342 PolarHBondContact O-N 2.71Å; Q340-R343 WeakPolarHBondContact O-CA 3.41Å; Q340-R343 WeakPolarHBondContact O-CB 3.18Å; Q340-R343 PolarHBondContact O-N 2.89Å; Q340-Q344 PolarHBondContact O-N 3.46Å |
| 341 | E | 97.9 | Very high | 98.1 | Very high | 78 Ų | 78 | 102.7 Ų | 102.7 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57 | -43.8 | 175.7 | -69.1 | 166.1 | -174.6 | 0 | 0 | 111.2 | Q337 R343 Q344 L345 | Q337-E341 WeakPolarHBondContact CG-OE1 3.43Å; Q337-E341 PolarHBondContact NE2-OE1 2.9Å; Q337-E341 PolarHBondContact O-N 3.25Å; E341-R343 PolarHBondContact O-N 3.26Å; E341-Q344 PolarHBondContact O-N 3.36Å; E341-L345 WeakPolarHBondContact O-CB 3.18Å; E341-L345 WeakPolarHBondContact O-CG 3.28Å; E341-L345 PolarHBondContact O-N 2.92Å |
| 342 | K | 97.8 | Very high | 98.1 | Very high | 124 Ų | 124 | 102.6 Ų | 102.6 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -23.3 | 173.8 | -175.5 | 173.8 | -176 | 174.6 | 0 | 114.1 | L338 Q340 R346 | L338-K342 WeakPolarHBondContact O-CB 3.21Å; L338-K342 PolarHBondContact O-N 3.32Å; Q340-K342 VanDerWaalsContact C-N 3.31Å; Q340-K342 PolarHBondContact O-N 2.71Å; K342-R346 WeakPolarHBondContact O-CD 3.41Å; K342-R346 VanDerWaalsContact O-CG 3.23Å; K342-R346 WeakPolarHBondContact O-CG 3.41Å |
| 343 | R | 98.4 | Very high | 98.2 | Very high | 139 Ų | 139 | 101.7 Ų | 101.7 | 53% | 0.525 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -82.9 | -42.1 | 172.3 | -78 | 176.1 | -71.3 | 141.8 | -3.4 | 111.1 | Q339 Q340 E341 R346 Q347 | Q339-R343 WeakPolarHBondContact O-CG 3.39Å; Q339-R343 PolarHBondContact O-NE 3.15Å; Q340-R343 WeakPolarHBondContact O-CA 3.41Å; Q340-R343 WeakPolarHBondContact O-CB 3.18Å; Q340-R343 PolarHBondContact O-N 2.89Å; E341-R343 PolarHBondContact O-N 3.26Å; R343-R346 WeakPolarHBondContact O-CB 3.44Å; R343-R346 PolarHBondContact O-N 2.89Å; R343-Q347 WeakPolarHBondContact O-CG 3.35Å; R343-Q347 PolarHBondContact O-N 2.94Å; R343-Q347 VanDerWaalsContact O-N 3.12Å |
| 344 | Q | 98.5 | Very high | 98.2 | Very high | 99 Ų | 99 | 102.4 Ų | 102.4 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.6 | -51.7 | 176.2 | 179 | 174.9 | -19.1 | 0 | 0 | 111.5 | Q340 E341 R346 Q347 E348 | Q340-Q344 PolarHBondContact O-N 3.46Å; E341-Q344 PolarHBondContact O-N 3.36Å; Q344-R346 PolarHBondContact O-N 3.01Å; Q344-R346 VanDerWaalsContact O-N 3.13Å; Q344-Q347 WeakPolarHBondContact O-CA 3.42Å; Q344-Q347 WeakPolarHBondContact O-CB 3.37Å; Q344-Q347 PolarHBondContact O-N 2.83Å; Q344-E348 HydrophobicContact CG-CG 4.37Å; Q344-E348 VanDerWaalsContact CG-OE1 3.23Å; Q344-E348 WeakPolarHBondContact CG-OE1 3.46Å; Q344-E348 PolarHBondContact NE2-OE1 3.14Å; Q344-E348 WeakPolarHBondContact O-CG 3.45Å; Q344-E348 PolarHBondContact O-N 3.06Å |
| 345 | L | 98.4 | Very high | 98.3 | Very high | 110 Ų | 110 | 102.3 Ų | 102.3 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -59.3 | -27.4 | 178.3 | -70.2 | 168.7 | 0 | 0 | 0 | 113.2 | E341 L349 | E341-L345 WeakPolarHBondContact O-CB 3.18Å; E341-L345 WeakPolarHBondContact O-CG 3.28Å; E341-L345 PolarHBondContact O-N 2.92Å; L345-L349 VanDerWaalsContact O-CB 3.3Å; L345-L349 WeakPolarHBondContact O-CB 3.32Å; L345-L349 PolarHBondContact O-N 3.16Å |
| 346 | R | 98.2 | Very high | 98.3 | Very high | 136 Ų | 136 | 105 Ų | 105 | 51% | 0.513 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.2 | -44.9 | 171.5 | -77.6 | 169.2 | 171 | 164.9 | -16.4 | 111.9 | K342 R343 Q344 E348 L349 E350 | K342-R346 WeakPolarHBondContact O-CD 3.41Å; K342-R346 VanDerWaalsContact O-CG 3.23Å; K342-R346 WeakPolarHBondContact O-CG 3.41Å; R343-R346 WeakPolarHBondContact O-CB 3.44Å; R343-R346 PolarHBondContact O-N 2.89Å; Q344-R346 PolarHBondContact O-N 3.01Å; Q344-R346 VanDerWaalsContact O-N 3.13Å; R346-E348 VanDerWaalsContact C-N 3.31Å; R346-E348 PolarHBondContact O-N 3.16Å; R346-L349 PolarHBondContact O-N 3.34Å; R346-E350 WeakPolarHBondContact O-CB 3.49Å; R346-E350 VanDerWaalsContact O-CG 3.29Å; R346-E350 WeakPolarHBondContact O-CG 3.1Å; R346-E350 PolarHBondContact O-N 2.86Å |
| 347 | Q | 98.5 | Very high | 98.3 | Very high | 132 Ų | 132 | 105.5 Ų | 105.5 | 62% | 0.617 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.2 | -37.8 | 176.3 | -69.6 | 173.5 | -26.7 | 0 | 0 | 111.5 | R343 Q344 E350 S351 | R343-Q347 WeakPolarHBondContact O-CG 3.35Å; R343-Q347 PolarHBondContact O-N 2.94Å; R343-Q347 VanDerWaalsContact O-N 3.12Å; Q344-Q347 WeakPolarHBondContact O-CA 3.42Å; Q344-Q347 WeakPolarHBondContact O-CB 3.37Å; Q344-Q347 PolarHBondContact O-N 2.83Å; Q347-E350 PolarHBondContact O-N 2.99Å; Q347-S351 WeakPolarHBondContact O-CB 3.41Å; Q347-S351 PolarHBondContact O-N 3.33Å |
| 348 | E | 98.3 | Very high | 98.3 | Very high | 78 Ų | 78 | 105.5 Ų | 105.5 | 36% | 0.364 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64 | -47.9 | 173.1 | -71.6 | 171.1 | -176.3 | 0 | 0 | 110.9 | Q344 R346 E350 S351 L352 | Q344-E348 HydrophobicContact CG-CG 4.37Å; Q344-E348 VanDerWaalsContact CG-OE1 3.23Å; Q344-E348 WeakPolarHBondContact CG-OE1 3.46Å; Q344-E348 PolarHBondContact NE2-OE1 3.14Å; Q344-E348 WeakPolarHBondContact O-CG 3.45Å; Q344-E348 PolarHBondContact O-N 3.06Å; R346-E348 VanDerWaalsContact C-N 3.31Å; R346-E348 PolarHBondContact O-N 3.16Å; E348-E350 PolarHBondContact O-N 2.96Å; E348-S351 PolarHBondContact O-N 3.46Å; E348-S351 PolarHBondContact O-OG 2.81Å; E348-L352 WeakPolarHBondContact O-CG 3.4Å; E348-L352 PolarHBondContact O-N 2.91Å |
| 349 | L | 98.4 | Very high | 98.4 | Very high | 102 Ų | 102 | 105.4 Ų | 105.4 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 173.3 | -179.6 | 63.3 | 0 | 0 | 0 | 112.4 | L345 R346 S351 L352 M353 | L345-L349 VanDerWaalsContact O-CB 3.3Å; L345-L349 WeakPolarHBondContact O-CB 3.32Å; L345-L349 PolarHBondContact O-N 3.16Å; R346-L349 PolarHBondContact O-N 3.34Å; L349-S351 PolarHBondContact O-N 2.99Å; L349-L352 PolarHBondContact O-N 3.39Å; L349-M353 HydrophobicContact CG-SD 4.36Å; L349-M353 WeakPolarHBondContact O-CG 3.33Å; L349-M353 PolarHBondContact O-N 3.28Å |
| 350 | E | 98.5 | Very high | 98.4 | Very high | 101 Ų | 101 | 104.6 Ų | 104.6 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -21 | 174.7 | -75.6 | 173 | -140.2 | 0 | 0 | 113.4 | R346 Q347 E348 K354 | R346-E350 WeakPolarHBondContact O-CB 3.49Å; R346-E350 VanDerWaalsContact O-CG 3.29Å; R346-E350 WeakPolarHBondContact O-CG 3.1Å; R346-E350 PolarHBondContact O-N 2.86Å; Q347-E350 PolarHBondContact O-N 2.99Å; E348-E350 PolarHBondContact O-N 2.96Å; E350-K354 WeakPolarHBondContact O-CD 3.42Å; E350-K354 VanDerWaalsContact O-CE 3.24Å; E350-K354 WeakPolarHBondContact O-CE 3.49Å; E350-K354 VanDerWaalsContact O-CG 3.31Å; E350-K354 WeakPolarHBondContact O-CG 3.46Å; E350-K354 PolarHBondContact O-NZ 3.04Å |
| 351 | S | 98.6 | Very high | 98.4 | Very high | 61 Ų | 61 | 103.3 Ų | 103.3 | 43% | 0.427 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -85.6 | -42.1 | 174.7 | 76.5 | 0 | 0 | 0 | 0 | 111.4 | Q347 E348 L349 M353 K354 E355 | Q347-S351 WeakPolarHBondContact O-CB 3.41Å; Q347-S351 PolarHBondContact O-N 3.33Å; E348-S351 PolarHBondContact O-N 3.46Å; E348-S351 PolarHBondContact O-OG 2.81Å; L349-S351 PolarHBondContact O-N 2.99Å; S351-M353 VanDerWaalsContact C-N 3.34Å; S351-M353 PolarHBondContact O-N 3.21Å; S351-K354 PolarHBondContact O-N 3.49Å; S351-E355 PolarHBondContact O-N 3.31Å |
| 352 | L | 98.6 | Very high | 98.4 | Very high | 101 Ų | 101 | 104 Ų | 104 | 53% | 0.529 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -37.2 | 175 | -71 | 168.6 | 0 | 0 | 0 | 112.1 | E348 L349 E355 Q356 | E348-L352 WeakPolarHBondContact O-CG 3.4Å; E348-L352 PolarHBondContact O-N 2.91Å; L349-L352 PolarHBondContact O-N 3.39Å; L352-E355 PolarHBondContact O-N 3.19Å; L352-Q356 WeakPolarHBondContact O-CB 3.33Å; L352-Q356 PolarHBondContact O-N 2.84Å |
| 353 | M | 98.5 | Very high | 98.5 | Very high | 99 Ų | 99 | 102.6 Ų | 102.6 | 49% | 0.488 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -42.9 | 172.9 | -71.8 | 176.8 | 69 | 0 | 0 | 111.8 | L349 S351 E355 Q356 D357 | L349-M353 HydrophobicContact CG-SD 4.36Å; L349-M353 WeakPolarHBondContact O-CG 3.33Å; L349-M353 PolarHBondContact O-N 3.28Å; S351-M353 VanDerWaalsContact C-N 3.34Å; S351-M353 PolarHBondContact O-N 3.21Å; M353-E355 VanDerWaalsContact C-N 3.33Å; M353-E355 PolarHBondContact O-N 3.45Å; M353-Q356 WeakPolarHBondContact O-CB 3.49Å; M353-Q356 PolarHBondContact O-N 2.88Å; M353-D357 VanDerWaalsContact O-CG 3.24Å; M353-D357 PolarHBondContact O-N 3.07Å |
| 354 | K | 98.6 | Very high | 98.5 | Very high | 129 Ų | 129 | 101.2 Ų | 101.2 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.7 | -33.6 | 177.3 | -67.6 | 164.2 | -168.3 | 133.4 | 0 | 112.2 | E350 S351 L358 | E350-K354 WeakPolarHBondContact O-CD 3.42Å; E350-K354 VanDerWaalsContact O-CE 3.24Å; E350-K354 WeakPolarHBondContact O-CE 3.49Å; E350-K354 VanDerWaalsContact O-CG 3.31Å; E350-K354 WeakPolarHBondContact O-CG 3.46Å; E350-K354 PolarHBondContact O-NZ 3.04Å; S351-K354 PolarHBondContact O-N 3.49Å; K354-L358 WeakPolarHBondContact O-CB 3.5Å; K354-L358 PolarHBondContact O-N 3.01Å; K354-L358 VanDerWaalsContact O-N 3.12Å |
| 355 | E | 98.4 | Very high | 98.5 | Very high | 111 Ų | 111 | 97.8 Ų | 97.8 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 172 | -174.4 | 169.5 | -163.8 | 0 | 0 | 111.5 | S351 L352 M353 L358 L359 | S351-E355 PolarHBondContact O-N 3.31Å; L352-E355 PolarHBondContact O-N 3.19Å; M353-E355 VanDerWaalsContact C-N 3.33Å; M353-E355 PolarHBondContact O-N 3.45Å; E355-L358 PolarHBondContact O-N 3.1Å; E355-L359 HydrophobicContact CG-CD1 3.95Å; E355-L359 HydrophobicContact CG-CG 4.35Å; E355-L359 WeakPolarHBondContact O-CB 3.38Å; E355-L359 VanDerWaalsContact O-CG 3.28Å; E355-L359 WeakPolarHBondContact O-CG 3.44Å; E355-L359 PolarHBondContact O-N 3.28Å |
| 356 | Q | 98.3 | Very high | 98.5 | Very high | 129 Ų | 129 | 99.8 Ų | 99.8 | 60% | 0.603 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -58.9 | -50.1 | 173.3 | -178.7 | 178.8 | 0.1 | 0 | 0 | 111.5 | L352 M353 L358 L359 E360 | L352-Q356 WeakPolarHBondContact O-CB 3.33Å; L352-Q356 PolarHBondContact O-N 2.84Å; M353-Q356 WeakPolarHBondContact O-CB 3.49Å; M353-Q356 PolarHBondContact O-N 2.88Å; Q356-L358 VanDerWaalsContact C-N 3.29Å; Q356-L358 PolarHBondContact O-N 2.96Å; Q356-L359 PolarHBondContact O-N 2.86Å; Q356-E360 WeakPolarHBondContact O-CB 3.48Å; Q356-E360 PolarHBondContact O-N 3.33Å |
| 357 | D | 98.5 | Very high | 98.5 | Very high | 91 Ų | 91 | 98.4 Ų | 98.4 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.8 | -41.3 | 177.1 | -66.8 | -27.2 | 0 | 0 | 0 | 111.8 | M353 T361 | M353-D357 VanDerWaalsContact O-CG 3.24Å; M353-D357 PolarHBondContact O-N 3.07Å; D357-T361 VanDerWaalsContact O-CB 3.25Å; D357-T361 WeakPolarHBondContact O-CB 3.32Å; D357-T361 PolarHBondContact O-N 2.88Å; D357-T361 PolarHBondContact O-OG1 3.24Å |
| 358 | L | 98.6 | Very high | 98.5 | Very high | 91 Ų | 91 | 99.4 Ų | 99.4 | 48% | 0.476 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 177.8 | 178.7 | 62.3 | 0 | 0 | 0 | 112.2 | K354 E355 Q356 K362 | K354-L358 WeakPolarHBondContact O-CB 3.5Å; K354-L358 PolarHBondContact O-N 3.01Å; K354-L358 VanDerWaalsContact O-N 3.12Å; E355-L358 PolarHBondContact O-N 3.1Å; Q356-L358 VanDerWaalsContact C-N 3.29Å; Q356-L358 PolarHBondContact O-N 2.96Å; L358-K362 HydrophobicContact CG-CD 4.45Å; L358-K362 VanDerWaalsContact O-CG 3.3Å; L358-K362 WeakPolarHBondContact O-CG 3.45Å; L358-K362 PolarHBondContact O-N 2.98Å |
| 359 | L | 98.6 | Very high | 98.4 | Very high | 93 Ų | 93 | 99.8 Ų | 99.8 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.2 | -41.7 | 177.4 | -72.6 | 172.2 | 0 | 0 | 0 | 111.6 | E355 Q356 T361 K362 L363 | E355-L359 HydrophobicContact CG-CD1 3.95Å; E355-L359 HydrophobicContact CG-CG 4.35Å; E355-L359 WeakPolarHBondContact O-CB 3.38Å; E355-L359 VanDerWaalsContact O-CG 3.28Å; E355-L359 WeakPolarHBondContact O-CG 3.44Å; E355-L359 PolarHBondContact O-N 3.28Å; Q356-L359 PolarHBondContact O-N 2.86Å; L359-T361 VanDerWaalsContact C-N 3.31Å; L359-T361 PolarHBondContact O-N 3.41Å; L359-K362 PolarHBondContact O-N 3.27Å; L359-L363 WeakPolarHBondContact O-CB 3.43Å; L359-L363 PolarHBondContact O-N 3Å |
| 360 | E | 98.6 | Very high | 98.3 | Very high | 89 Ų | 89 | 102.8 Ų | 102.8 | 42% | 0.416 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 175 | -158.3 | -163.3 | -174.2 | 0 | 0 | 111 | Q356 L363 R364 | Q356-E360 WeakPolarHBondContact O-CB 3.48Å; Q356-E360 PolarHBondContact O-N 3.33Å; E360-L363 PolarHBondContact O-N 2.86Å; E360-R364 WeakPolarHBondContact O-CB 3.49Å; E360-R364 WeakPolarHBondContact O-CG 3.16Å; E360-R364 PolarHBondContact O-N 2.93Å; E360-R364 IonicContact OE1-CZ 3.52Å; E360-R364 IonicContact OE1-NH1 2.71Å; E360-R364 PolarHBondContact OE1-NH1 2.72Å; E360-R364 IonicContact OE1-NH2 3.65Å; E360-R364 IonicContact OE2-CZ 3.35Å; E360-R364 IonicContact OE2-NH1 3.27Å; E360-R364 PolarHBondContact OE2-NH1 2.77Å; E360-R364 IonicContact OE2-NH2 2.68Å; E360-R364 PolarHBondContact OE2-NH2 3.49Å |
| 361 | T | 98.6 | Very high | 98.3 | Very high | 77 Ų | 77 | 102.9 Ų | 102.9 | 47% | 0.472 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.5 | -39.7 | 174.1 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | D357 L359 R364 S365 | D357-T361 VanDerWaalsContact O-CB 3.25Å; D357-T361 WeakPolarHBondContact O-CB 3.32Å; D357-T361 PolarHBondContact O-N 2.88Å; D357-T361 PolarHBondContact O-OG1 3.24Å; L359-T361 VanDerWaalsContact C-N 3.31Å; L359-T361 PolarHBondContact O-N 3.41Å; T361-R364 PolarHBondContact O-N 2.73Å; T361-S365 PolarHBondContact O-N 3.37Å |
| 362 | K | 98.7 | Very high | 98.3 | Very high | 91 Ų | 91 | 103.3 Ų | 103.3 | 40% | 0.396 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.1 | -39.6 | 173.4 | -74.9 | 168.1 | -179.3 | 173.1 | 0 | 112.4 | L358 L359 S365 Y366 | L358-K362 HydrophobicContact CG-CD 4.45Å; L358-K362 VanDerWaalsContact O-CG 3.3Å; L358-K362 WeakPolarHBondContact O-CG 3.45Å; L358-K362 PolarHBondContact O-N 2.98Å; L359-K362 PolarHBondContact O-N 3.27Å; K362-S365 WeakPolarHBondContact CA-OG 3.36Å; K362-S365 PolarHBondContact O-N 3.01Å; K362-S365 VanDerWaalsContact O-N 3.13Å; K362-S365 PolarHBondContact O-OG 3.41Å; K362-Y366 HydrophobicContact CB-CE2 4.38Å; K362-Y366 WeakPolarHBondContact O-CD2 3.28Å; K362-Y366 PolarHBondContact O-N 2.82Å |
| 363 | L | 98.6 | Very high | 98.3 | Very high | 95 Ų | 95 | 105 Ų | 105 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 175.3 | -171.3 | 145.5 | 0 | 0 | 0 | 109.9 | L359 E360 S365 Y366 E367 | L359-L363 WeakPolarHBondContact O-CB 3.43Å; L359-L363 PolarHBondContact O-N 3Å; E360-L363 PolarHBondContact O-N 2.86Å; L363-S365 PolarHBondContact O-N 3.23Å; L363-Y366 PolarHBondContact O-N 2.9Å; L363-Y366 VanDerWaalsContact O-N 3.16Å; L363-E367 VanDerWaalsContact CD2-CD 3.48Å; L363-E367 HydrophobicContact CD2-CG 4.18Å; L363-E367 WeakPolarHBondContact O-CG 3.49Å; L363-E367 PolarHBondContact O-N 3.3Å |
| 364 | R | 98.6 | Very high | 98.2 | Very high | 111 Ų | 111 | 101.6 Ų | 101.6 | 42% | 0.419 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.8 | -18.6 | 171.8 | -76.1 | -167.8 | -79 | -105.5 | -2.5 | 114.7 | E360 T361 R368 | E360-R364 WeakPolarHBondContact O-CB 3.49Å; E360-R364 WeakPolarHBondContact O-CG 3.16Å; E360-R364 PolarHBondContact O-N 2.93Å; E360-R364 IonicContact OE1-CZ 3.52Å; E360-R364 IonicContact OE1-NH1 2.71Å; E360-R364 PolarHBondContact OE1-NH1 2.72Å; E360-R364 IonicContact OE1-NH2 3.65Å; E360-R364 IonicContact OE2-CZ 3.35Å; E360-R364 IonicContact OE2-NH1 3.27Å; E360-R364 PolarHBondContact OE2-NH1 2.77Å; E360-R364 IonicContact OE2-NH2 2.68Å; E360-R364 PolarHBondContact OE2-NH2 3.49Å; T361-R364 PolarHBondContact O-N 2.73Å; R364-R368 WeakPolarHBondContact O-CG 3.3Å; R364-R368 PolarHBondContact O-NE 2.94Å |
| 365 | S | 98.4 | Very high | 98.2 | Very high | 26 Ų | 26 | 99.3 Ų | 99.3 | 18% | 0.182 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -81.1 | -45.2 | 167.7 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | T361 K362 L363 E367 R368 E369 | T361-S365 PolarHBondContact O-N 3.37Å; K362-S365 WeakPolarHBondContact CA-OG 3.36Å; K362-S365 PolarHBondContact O-N 3.01Å; K362-S365 VanDerWaalsContact O-N 3.13Å; K362-S365 PolarHBondContact O-OG 3.41Å; L363-S365 PolarHBondContact O-N 3.23Å; S365-E367 VanDerWaalsContact C-N 3.28Å; S365-E367 PolarHBondContact O-N 3.12Å; S365-R368 VanDerWaalsContact CA-NH2 3.35Å; S365-R368 PolarHBondContact O-N 2.93Å; S365-R368 VanDerWaalsContact O-N 3.15Å; S365-E369 WeakPolarHBondContact O-CG 3.47Å; S365-E369 PolarHBondContact O-N 3.13Å |
| 366 | Y | 98.2 | Very high | 98.1 | Very high | 152 Ų | 152 | 96.2 Ų | 96.2 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.4 | -32.7 | 177.8 | -62.6 | -46.9 | 0 | 0 | 0 | 112.8 | K362 L363 K370 | K362-Y366 HydrophobicContact CB-CE2 4.38Å; K362-Y366 WeakPolarHBondContact O-CD2 3.28Å; K362-Y366 PolarHBondContact O-N 2.82Å; L363-Y366 PolarHBondContact O-N 2.9Å; L363-Y366 VanDerWaalsContact O-N 3.16Å; Y366-K370 WeakPolarHBondContact O-CB 3.44Å; Y366-K370 PolarHBondContact O-N 2.85Å |
| 367 | E | 98.2 | Very high | 98.2 | Very high | 107 Ų | 107 | 95.6 Ų | 95.6 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.6 | -45.1 | 171.7 | -72.6 | 179.4 | 145.3 | 0 | 0 | 112.1 | L363 S365 K370 T371 | L363-E367 VanDerWaalsContact CD2-CD 3.48Å; L363-E367 HydrophobicContact CD2-CG 4.18Å; L363-E367 WeakPolarHBondContact O-CG 3.49Å; L363-E367 PolarHBondContact O-N 3.3Å; S365-E367 VanDerWaalsContact C-N 3.28Å; S365-E367 PolarHBondContact O-N 3.12Å; E367-K370 PolarHBondContact O-N 3.43Å; E367-T371 WeakPolarHBondContact O-CG2 3.46Å; E367-T371 PolarHBondContact O-N 3.4Å; E367-T371 PolarHBondContact O-OG1 3.25Å |
| 368 | R | 98.1 | Very high | 98.1 | Very high | 154 Ų | 154 | 96.9 Ų | 96.9 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.1 | -46.6 | 175.8 | -77.6 | 179.6 | -69 | 117.3 | -8.6 | 111.8 | R364 S365 T371 S372 | R364-R368 WeakPolarHBondContact O-CG 3.3Å; R364-R368 PolarHBondContact O-NE 2.94Å; S365-R368 VanDerWaalsContact CA-NH2 3.35Å; S365-R368 PolarHBondContact O-N 2.93Å; S365-R368 VanDerWaalsContact O-N 3.15Å; R368-T371 WeakPolarHBondContact CA-OG1 3.32Å; R368-T371 PolarHBondContact O-N 3.35Å; R368-T371 PolarHBondContact O-OG1 3Å; R368-S372 WeakPolarHBondContact O-CB 3.09Å; R368-S372 PolarHBondContact O-N 3.25Å; R368-S372 PolarHBondContact O-OG 3.4Å |
| 369 | E | 97.8 | Very high | 98.1 | Very high | 86 Ų | 86 | 98.9 Ų | 98.9 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.1 | -51.6 | 175 | -74.3 | 169.2 | -165.4 | 0 | 0 | 110.8 | S365 T371 S372 F373 | S365-E369 WeakPolarHBondContact O-CG 3.47Å; S365-E369 PolarHBondContact O-N 3.13Å; E369-T371 VanDerWaalsContact C-N 3.32Å; E369-T371 PolarHBondContact O-N 2.93Å; E369-S372 WeakPolarHBondContact CA-OG 3.39Å; E369-S372 PolarHBondContact O-N 3.15Å; E369-S372 PolarHBondContact O-OG 3.35Å; E369-F373 HydrophobicContact CB-CD2 4.45Å; E369-F373 HydrophobicContact CB-CE2 3.99Å; E369-F373 WeakPolarHBondContact O-CD2 3.48Å; E369-F373 PolarHBondContact O-N 2.9Å |
| 370 | K | 96.5 | Very high | 98.1 | Very high | 165 Ų | 165 | 97.6 Ų | 97.6 | 72% | 0.717 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -54.3 | -44 | 175.4 | -179.3 | -173.5 | 175.4 | -172.2 | 0 | 112.6 | Y366 E367 | Y366-K370 WeakPolarHBondContact O-CB 3.44Å; Y366-K370 PolarHBondContact O-N 2.85Å; E367-K370 PolarHBondContact O-N 3.43Å |
| 371 | T | 97.5 | Very high | 98.1 | Very high | 102 Ų | 102 | 99.4 Ų | 99.4 | 63% | 0.626 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.5 | -30.9 | 176 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | E367 R368 E369 P375 | E367-T371 WeakPolarHBondContact O-CG2 3.46Å; E367-T371 PolarHBondContact O-N 3.4Å; E367-T371 PolarHBondContact O-OG1 3.25Å; R368-T371 WeakPolarHBondContact CA-OG1 3.32Å; R368-T371 PolarHBondContact O-N 3.35Å; R368-T371 PolarHBondContact O-OG1 3Å; E369-T371 VanDerWaalsContact C-N 3.32Å; E369-T371 PolarHBondContact O-N 2.93Å; T371-P375 WeakPolarHBondContact O-CD 3.29Å |
| 372 | S | 98 | Very high | 98.1 | Very high | 70 Ų | 70 | 105.1 Ų | 105.1 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -75.2 | -30.8 | 178.2 | 72.5 | 0 | 0 | 0 | 0 | 113.5 | R368 E369 G374 | R368-S372 WeakPolarHBondContact O-CB 3.09Å; R368-S372 PolarHBondContact O-N 3.25Å; R368-S372 PolarHBondContact O-OG 3.4Å; E369-S372 WeakPolarHBondContact CA-OG 3.39Å; E369-S372 PolarHBondContact O-N 3.15Å; E369-S372 PolarHBondContact O-OG 3.35Å; S372-G374 VanDerWaalsContact C-N 3.33Å; S372-G374 PolarHBondContact O-N 3.42Å |
| 373 | F | 98.1 | Very high | 98.1 | Very high | 136 Ų | 136 | 106 Ų | 106 | 60% | 0.596 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -72.6 | -22.4 | 179.1 | -71 | -53.3 | 0 | 0 | 0 | 113.8 | E369 L377 | E369-F373 HydrophobicContact CB-CD2 4.45Å; E369-F373 HydrophobicContact CB-CE2 3.99Å; E369-F373 WeakPolarHBondContact O-CD2 3.48Å; E369-F373 PolarHBondContact O-N 2.9Å; F373-L377 WeakPolarHBondContact O-CB 3.39Å; F373-L377 PolarHBondContact O-N 3.33Å |
| 374 | G | 97.8 | Very high | 98.2 | Very high | 29 Ų | 29 | 106 Ų | 106 | 30% | 0.299 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.7 | -63.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S372 A376 L377 E378 | S372-G374 VanDerWaalsContact C-N 3.33Å; S372-G374 PolarHBondContact O-N 3.42Å; G374-A376 VanDerWaalsContact C-N 3.29Å; G374-A376 PolarHBondContact O-N 3.39Å; G374-L377 PolarHBondContact O-N 2.98Å; G374-L377 VanDerWaalsContact O-N 3.1Å; G374-E378 PolarHBondContact O-N 2.95Å |
| 375 | P | 97.6 | Very high | 98.2 | Very high | 81 Ų | 81 | 104.3 Ų | 104.3 | 53% | 0.526 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58 | -36.8 | 178.8 | -27.5 | 36.3 | 0 | 0 | 0 | 114 | T371 E378 E379 | T371-P375 WeakPolarHBondContact O-CD 3.29Å; P375-E378 PolarHBondContact O-N 2.89Å; P375-E379 WeakPolarHBondContact O-CB 3.5Å; P375-E379 PolarHBondContact O-N 3.02Å |
| 376 | A | 97.8 | Very high | 98.2 | Very high | 45 Ų | 45 | 108.5 Ų | 108.5 | 37% | 0.372 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.7 | -34 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G374 T380 | G374-A376 VanDerWaalsContact C-N 3.29Å; G374-A376 PolarHBondContact O-N 3.39Å; A376-T380 WeakPolarHBondContact O-CG2 3.48Å; A376-T380 PolarHBondContact O-N 2.91Å; A376-T380 VanDerWaalsContact O-N 3.07Å; A376-T380 PolarHBondContact O-OG1 3.06Å |
| 377 | L | 98.5 | Very high | 98.2 | Very high | 117 Ų | 117 | 106 Ų | 106 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70 | -39.6 | 172.6 | -176.3 | 61.9 | 0 | 0 | 0 | 111.3 | F373 G374 T380 Q381 | F373-L377 WeakPolarHBondContact O-CB 3.39Å; F373-L377 PolarHBondContact O-N 3.33Å; G374-L377 PolarHBondContact O-N 2.98Å; G374-L377 VanDerWaalsContact O-N 3.1Å; L377-T380 WeakPolarHBondContact CA-OG1 3.38Å; L377-T380 PolarHBondContact O-OG1 3.45Å; L377-T380 VanDerWaalsContact O-OG1 3.13Å; L377-Q381 VanDerWaalsContact O-CB 3.3Å; L377-Q381 WeakPolarHBondContact O-CB 3.28Å; L377-Q381 PolarHBondContact O-N 2.7Å |
| 378 | E | 98.3 | Very high | 98.2 | Very high | 118 Ų | 118 | 103.8 Ų | 103.8 | 55% | 0.551 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.5 | -45.5 | 174.5 | -69.9 | 172.1 | -161.9 | 0 | 0 | 111.4 | G374 P375 Q381 W382 | G374-E378 PolarHBondContact O-N 2.95Å; P375-E378 PolarHBondContact O-N 2.89Å; E378-Q381 WeakPolarHBondContact O-CB 3.5Å; E378-Q381 PolarHBondContact O-N 2.99Å; E378-W382 PolarHBondContact O-N 3.16Å |
| 379 | E | 98.3 | Very high | 98.2 | Very high | 132 Ų | 132 | 98.4 Ų | 98.4 | 62% | 0.617 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.7 | -51.6 | 176.2 | -176.9 | 169.5 | -139.5 | 0 | 0 | 111.7 | P375 Q381 W382 E383 | P375-E379 WeakPolarHBondContact O-CB 3.5Å; P375-E379 PolarHBondContact O-N 3.02Å; E379-Q381 VanDerWaalsContact C-N 3.29Å; E379-Q381 PolarHBondContact O-N 3.49Å; E379-W382 WeakPolarHBondContact O-CB 3.41Å; E379-W382 PolarHBondContact O-N 3.46Å; E379-W382 VanDerWaalsContact O-N 3.12Å; E379-E383 PolarHBondContact O-N 2.85Å |
| 380 | T | 98.5 | Very high | 98.3 | Very high | 66 Ų | 66 | 97.8 Ų | 97.8 | 41% | 0.405 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.8 | -30.4 | 177.1 | 51.2 | 0 | 0 | 0 | 0 | 113.1 | A376 L377 V384 | A376-T380 WeakPolarHBondContact O-CG2 3.48Å; A376-T380 PolarHBondContact O-N 2.91Å; A376-T380 VanDerWaalsContact O-N 3.07Å; A376-T380 PolarHBondContact O-OG1 3.06Å; L377-T380 WeakPolarHBondContact CA-OG1 3.38Å; L377-T380 PolarHBondContact O-OG1 3.45Å; L377-T380 VanDerWaalsContact O-OG1 3.13Å; T380-V384 WeakPolarHBondContact O-CB 3.17Å; T380-V384 VanDerWaalsContact O-CG2 3.29Å; T380-V384 WeakPolarHBondContact O-CG2 3.31Å; T380-V384 PolarHBondContact O-N 2.94Å |
| 381 | Q | 98.8 | Very high | 98.4 | Very high | 127 Ų | 127 | 94 Ų | 94 | 59% | 0.593 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -43.2 | 171.1 | -177.4 | 175.6 | -11.6 | 0 | 0 | 111.6 | L377 E378 E379 V384 C385 | L377-Q381 VanDerWaalsContact O-CB 3.3Å; L377-Q381 WeakPolarHBondContact O-CB 3.28Å; L377-Q381 PolarHBondContact O-N 2.7Å; E378-Q381 WeakPolarHBondContact O-CB 3.5Å; E378-Q381 PolarHBondContact O-N 2.99Å; E379-Q381 VanDerWaalsContact C-N 3.29Å; E379-Q381 PolarHBondContact O-N 3.49Å; Q381-V384 PolarHBondContact O-N 3.44Å; Q381-C385 PolarHBondContact O-N 3.4Å; Q381-C385 PolarHBondContact O-SG 3.01Å |
| 382 | W | 98.7 | Very high | 98.4 | Very high | 197 Ų | 197 | 92.5 Ų | 92.5 | 75% | 0.746 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.7 | -43.4 | 174.3 | -79.5 | 112.9 | 0 | 0 | 0 | 112.2 | E378 E379 V384 C385 Q386 | E378-W382 PolarHBondContact O-N 3.16Å; E379-W382 WeakPolarHBondContact O-CB 3.41Å; E379-W382 PolarHBondContact O-N 3.46Å; E379-W382 VanDerWaalsContact O-N 3.12Å; W382-V384 PolarHBondContact O-N 3.05Å; W382-C385 PolarHBondContact O-N 2.88Å; W382-Q386 WeakPolarHBondContact O-CB 3.44Å; W382-Q386 PolarHBondContact O-N 3.43Å |
| 383 | E | 98.8 | Very high | 98.5 | Very high | 109 Ų | 109 | 94 Ų | 94 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58 | -47.9 | 173.7 | -71.5 | -165.2 | 137.3 | 0 | 0 | 111.7 | E379 C385 Q386 K387 | E379-E383 PolarHBondContact O-N 2.85Å; E383-C385 VanDerWaalsContact C-N 3.33Å; E383-C385 PolarHBondContact O-N 3Å; E383-Q386 PolarHBondContact O-N 3.03Å; E383-K387 WeakPolarHBondContact O-CB 3.49Å; E383-K387 WeakPolarHBondContact O-CG 3.24Å; E383-K387 PolarHBondContact O-N 3.31Å |
| 384 | V | 98.8 | Very high | 98.5 | Very high | 96 Ų | 96 | 92.8 Ų | 92.8 | 58% | 0.582 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.9 | -39.9 | 178.7 | 167.6 | 0 | 0 | 0 | 0 | 111.5 | T380 Q381 W382 S388 | T380-V384 WeakPolarHBondContact O-CB 3.17Å; T380-V384 VanDerWaalsContact O-CG2 3.29Å; T380-V384 WeakPolarHBondContact O-CG2 3.31Å; T380-V384 PolarHBondContact O-N 2.94Å; Q381-V384 PolarHBondContact O-N 3.44Å; W382-V384 PolarHBondContact O-N 3.05Å; V384-S388 VanDerWaalsContact O-CB 3.28Å; V384-S388 WeakPolarHBondContact O-CB 3.14Å; V384-S388 PolarHBondContact O-N 2.58Å; V384-S388 PolarHBondContact O-OG 3.32Å |
| 385 | C | 98.7 | Very high | 98.5 | Very high | 75 Ų | 75 | 97.9 Ų | 97.9 | 51% | 0.507 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 173.6 | -75.6 | 0 | 0 | 0 | 0 | 112 | Q381 W382 E383 S388 G389 | Q381-C385 PolarHBondContact O-N 3.4Å; Q381-C385 PolarHBondContact O-SG 3.01Å; W382-C385 PolarHBondContact O-N 2.88Å; E383-C385 VanDerWaalsContact C-N 3.33Å; E383-C385 PolarHBondContact O-N 3Å; C385-S388 PolarHBondContact O-N 3.49Å; C385-G389 PolarHBondContact O-N 2.96Å |
| 386 | Q | 98.7 | Very high | 98.6 | Very high | 115 Ų | 115 | 97.9 Ų | 97.9 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.9 | -49.7 | 176.7 | -178.7 | -174.5 | -32.8 | 0 | 0 | 111.4 | W382 E383 S388 G389 E390 | W382-Q386 WeakPolarHBondContact O-CB 3.44Å; W382-Q386 PolarHBondContact O-N 3.43Å; E383-Q386 PolarHBondContact O-N 3.03Å; Q386-S388 VanDerWaalsContact C-N 3.3Å; Q386-S388 PolarHBondContact O-N 3.44Å; Q386-G389 CarbonylContact O-C 3.53Å; Q386-G389 WeakPolarHBondContact O-CA 3.33Å; Q386-G389 PolarHBondContact O-N 2.94Å; Q386-E390 WeakPolarHBondContact CG-OE1 3.48Å; Q386-E390 PolarHBondContact NE2-OE1 2.72Å; Q386-E390 PolarHBondContact O-N 3.35Å |
| 387 | K | 98.6 | Very high | 98.6 | Very high | 98 Ų | 98 | 100.3 Ų | 100.3 | 43% | 0.426 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.3 | -31.4 | 179.9 | -63.6 | -43 | -177.3 | -171.4 | 0 | 112.5 | E383 G389 E390 I391 | E383-K387 WeakPolarHBondContact O-CB 3.49Å; E383-K387 WeakPolarHBondContact O-CG 3.24Å; E383-K387 PolarHBondContact O-N 3.31Å; K387-G389 VanDerWaalsContact C-N 3.31Å; K387-G389 PolarHBondContact O-N 2.99Å; K387-E390 VanDerWaalsContact CD-CD 3.5Å; K387-E390 WeakPolarHBondContact CD-OE2 3.31Å; K387-E390 IonicContact NZ-OE1 2.72Å; K387-E390 PolarHBondContact NZ-OE1 3.11Å; K387-E390 IonicContact NZ-OE2 2.73Å; K387-E390 PolarHBondContact NZ-OE2 3.48Å; K387-E390 PolarHBondContact O-N 3.49Å; K387-I391 VanDerWaalsContact O-CB 3.31Å; K387-I391 WeakPolarHBondContact O-CB 3.46Å; K387-I391 WeakPolarHBondContact O-CD1 3.21Å; K387-I391 WeakPolarHBondContact O-CG1 3.36Å; K387-I391 PolarHBondContact O-N 3.13Å |
| 388 | S | 98.4 | Very high | 98.7 | Very high | 61 Ų | 61 | 100.7 Ų | 100.7 | 43% | 0.427 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 170 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | V384 C385 Q386 S392 | V384-S388 VanDerWaalsContact O-CB 3.28Å; V384-S388 WeakPolarHBondContact O-CB 3.14Å; V384-S388 PolarHBondContact O-N 2.58Å; V384-S388 PolarHBondContact O-OG 3.32Å; C385-S388 PolarHBondContact O-N 3.49Å; Q386-S388 VanDerWaalsContact C-N 3.3Å; Q386-S388 PolarHBondContact O-N 3.44Å; S388-S392 WeakPolarHBondContact O-CB 3.34Å; S388-S392 PolarHBondContact O-N 2.93Å; S388-S392 VanDerWaalsContact O-N 3.13Å; S388-S392 PolarHBondContact O-OG 3.01Å |
| 389 | G | 98.6 | Very high | 98.7 | Very high | 42 Ų | 42 | 101.5 Ų | 101.5 | 43% | 0.433 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -51.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | C385 Q386 K387 I391 S392 L393 | C385-G389 PolarHBondContact O-N 2.96Å; Q386-G389 CarbonylContact O-C 3.53Å; Q386-G389 WeakPolarHBondContact O-CA 3.33Å; Q386-G389 PolarHBondContact O-N 2.94Å; K387-G389 VanDerWaalsContact C-N 3.31Å; K387-G389 PolarHBondContact O-N 2.99Å; G389-I391 PolarHBondContact O-N 3.41Å; G389-S392 WeakPolarHBondContact O-CB 3.31Å; G389-S392 PolarHBondContact O-N 2.96Å; G389-L393 PolarHBondContact O-N 2.58Å |
| 390 | E | 98.7 | Very high | 98.7 | Very high | 73 Ų | 73 | 99.8 Ų | 99.8 | 34% | 0.341 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56 | -47 | 176.8 | -70.7 | 174.3 | -154 | 0 | 0 | 111.8 | Q386 K387 S392 L393 L394 | Q386-E390 WeakPolarHBondContact CG-OE1 3.48Å; Q386-E390 PolarHBondContact NE2-OE1 2.72Å; Q386-E390 PolarHBondContact O-N 3.35Å; K387-E390 VanDerWaalsContact CD-CD 3.5Å; K387-E390 WeakPolarHBondContact CD-OE2 3.31Å; K387-E390 IonicContact NZ-OE1 2.72Å; K387-E390 PolarHBondContact NZ-OE1 3.11Å; K387-E390 IonicContact NZ-OE2 2.73Å; K387-E390 PolarHBondContact NZ-OE2 3.48Å; K387-E390 PolarHBondContact O-N 3.49Å; E390-S392 VanDerWaalsContact C-N 3.27Å; E390-S392 PolarHBondContact O-N 3.33Å; E390-L393 PolarHBondContact O-N 3.11Å; E390-L394 WeakPolarHBondContact O-CB 3.47Å; E390-L394 VanDerWaalsContact O-CG 3.31Å; E390-L394 WeakPolarHBondContact O-CG 3.43Å; E390-L394 PolarHBondContact O-N 3.5Å |
| 391 | I | 98.6 | Very high | 98.7 | Very high | 85 Ų | 85 | 99.6 Ų | 99.6 | 44% | 0.436 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -35.9 | 176.4 | -71.7 | 165.7 | 0 | 0 | 0 | 111.5 | K387 G389 K395 | K387-I391 VanDerWaalsContact O-CB 3.31Å; K387-I391 WeakPolarHBondContact O-CB 3.46Å; K387-I391 WeakPolarHBondContact O-CD1 3.21Å; K387-I391 WeakPolarHBondContact O-CG1 3.36Å; K387-I391 PolarHBondContact O-N 3.13Å; G389-I391 PolarHBondContact O-N 3.41Å; I391-K395 HydrophobicContact CG2-CD 4.04Å; I391-K395 WeakPolarHBondContact O-CB 3.4Å; I391-K395 WeakPolarHBondContact O-CD 3.21Å; I391-K395 WeakPolarHBondContact O-CG 3.47Å; I391-K395 PolarHBondContact O-N 3.08Å |
| 392 | S | 98.6 | Very high | 98.7 | Very high | 70 Ų | 70 | 98.4 Ų | 98.4 | 49% | 0.49 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72 | -39.9 | 179 | -60.3 | 0 | 0 | 0 | 0 | 112 | S388 G389 E390 K395 Q396 | S388-S392 WeakPolarHBondContact O-CB 3.34Å; S388-S392 PolarHBondContact O-N 2.93Å; S388-S392 VanDerWaalsContact O-N 3.13Å; S388-S392 PolarHBondContact O-OG 3.01Å; G389-S392 WeakPolarHBondContact O-CB 3.31Å; G389-S392 PolarHBondContact O-N 2.96Å; E390-S392 VanDerWaalsContact C-N 3.27Å; E390-S392 PolarHBondContact O-N 3.33Å; S392-K395 PolarHBondContact O-N 3.4Å; S392-Q396 PolarHBondContact O-N 3.37Å; S392-Q396 VanDerWaalsContact O-N 3.08Å |
| 393 | L | 98.8 | Very high | 98.7 | Very high | 103 Ų | 103 | 93 Ų | 93 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 172.6 | 178.3 | 60.6 | 0 | 0 | 0 | 111.5 | G389 E390 K395 Q396 Q397 | G389-L393 PolarHBondContact O-N 2.58Å; E390-L393 PolarHBondContact O-N 3.11Å; L393-K395 VanDerWaalsContact C-N 3.32Å; L393-K395 PolarHBondContact O-N 3.39Å; L393-Q396 PolarHBondContact O-N 2.93Å; L393-Q396 VanDerWaalsContact O-N 3.11Å; L393-Q397 HydrophobicContact CD1-CG 4.4Å; L393-Q397 WeakPolarHBondContact O-CG 3.4Å; L393-Q397 PolarHBondContact O-N 2.95Å |
| 394 | L | 98.9 | Very high | 98.7 | Very high | 109 Ų | 109 | 93.6 Ų | 93.6 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62 | -37.5 | 177.8 | -70.6 | 169.3 | 0 | 0 | 0 | 112.3 | E390 L398 | E390-L394 WeakPolarHBondContact O-CB 3.47Å; E390-L394 VanDerWaalsContact O-CG 3.31Å; E390-L394 WeakPolarHBondContact O-CG 3.43Å; E390-L394 PolarHBondContact O-N 3.5Å; L394-L398 VanDerWaalsContact O-CB 3.31Å; L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 PolarHBondContact O-N 3.13Å |
| 395 | K | 98.8 | Very high | 98.7 | Very high | 136 Ų | 136 | 92.9 Ų | 92.9 | 59% | 0.591 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.5 | -39.4 | 172.8 | -78.7 | 168.1 | -179.6 | 172.5 | 0 | 112.5 | I391 S392 L393 K399 | I391-K395 HydrophobicContact CG2-CD 4.04Å; I391-K395 WeakPolarHBondContact O-CB 3.4Å; I391-K395 WeakPolarHBondContact O-CD 3.21Å; I391-K395 WeakPolarHBondContact O-CG 3.47Å; I391-K395 PolarHBondContact O-N 3.08Å; S392-K395 PolarHBondContact O-N 3.4Å; L393-K395 VanDerWaalsContact C-N 3.32Å; L393-K395 PolarHBondContact O-N 3.39Å; K395-K399 WeakPolarHBondContact O-CB 3.39Å; K395-K399 PolarHBondContact O-N 3.08Å; K395-K399 VanDerWaalsContact O-N 3.08Å |
| 396 | Q | 98.6 | Very high | 98.7 | Very high | 82 Ų | 82 | 93.5 Ų | 93.5 | 38% | 0.383 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.6 | -46.3 | 177.4 | 179.5 | 59.4 | 20.4 | 0 | 0 | 111.2 | S392 L393 L398 K399 E400 | S392-Q396 PolarHBondContact O-N 3.37Å; S392-Q396 VanDerWaalsContact O-N 3.08Å; L393-Q396 PolarHBondContact O-N 2.93Å; L393-Q396 VanDerWaalsContact O-N 3.11Å; Q396-L398 VanDerWaalsContact C-N 3.34Å; Q396-L398 PolarHBondContact O-N 2.95Å; Q396-K399 WeakPolarHBondContact O-CB 3.45Å; Q396-K399 PolarHBondContact O-N 3.08Å; Q396-K399 VanDerWaalsContact O-N 3.13Å; Q396-E400 WeakPolarHBondContact CG-OE1 3.41Å; Q396-E400 PolarHBondContact NE2-OE1 3.33Å; Q396-E400 WeakPolarHBondContact O-CG 3.11Å; Q396-E400 PolarHBondContact O-N 2.89Å |
| 397 | Q | 98.8 | Very high | 98.7 | Very high | 95 Ų | 95 | 90.7 Ų | 90.7 | 44% | 0.444 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 175.6 | -70.8 | 175 | -21 | 0 | 0 | 112.6 | L393 K399 E400 S401 | L393-Q397 HydrophobicContact CD1-CG 4.4Å; L393-Q397 WeakPolarHBondContact O-CG 3.4Å; L393-Q397 PolarHBondContact O-N 2.95Å; Q397-K399 VanDerWaalsContact C-N 3.35Å; Q397-K399 PolarHBondContact O-N 3.29Å; Q397-E400 PolarHBondContact O-N 3.08Å; Q397-S401 WeakPolarHBondContact O-CB 3.37Å; Q397-S401 PolarHBondContact O-N 3.24Å |
| 398 | L | 98.9 | Very high | 98.7 | Very high | 125 Ų | 125 | 90.8 Ų | 90.8 | 65% | 0.654 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.8 | -40.9 | 174.7 | 178.5 | 61.6 | 0 | 0 | 0 | 111.9 | L394 Q396 Q402 | L394-L398 VanDerWaalsContact O-CB 3.31Å; L394-L398 WeakPolarHBondContact O-CB 3.46Å; L394-L398 PolarHBondContact O-N 3.13Å; Q396-L398 VanDerWaalsContact C-N 3.34Å; Q396-L398 PolarHBondContact O-N 2.95Å; L398-Q402 VanDerWaalsContact O-CB 3.31Å; L398-Q402 WeakPolarHBondContact O-CB 3.31Å; L398-Q402 PolarHBondContact O-N 3.23Å |
| 399 | K | 98.8 | Very high | 98.7 | Very high | 135 Ų | 135 | 90 Ų | 90 | 59% | 0.587 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 176.3 | -179.5 | -174 | 173.3 | -168.6 | 0 | 111.6 | K395 Q396 Q397 Q402 T403 | K395-K399 WeakPolarHBondContact O-CB 3.39Å; K395-K399 PolarHBondContact O-N 3.08Å; K395-K399 VanDerWaalsContact O-N 3.08Å; Q396-K399 WeakPolarHBondContact O-CB 3.45Å; Q396-K399 PolarHBondContact O-N 3.08Å; Q396-K399 VanDerWaalsContact O-N 3.13Å; Q397-K399 VanDerWaalsContact C-N 3.35Å; Q397-K399 PolarHBondContact O-N 3.29Å; K399-Q402 PolarHBondContact O-N 3.08Å; K399-T403 PolarHBondContact O-N 2.72Å; K399-T403 PolarHBondContact O-OG1 3.04Å |
| 400 | E | 98.7 | Very high | 98.7 | Very high | 96 Ų | 96 | 91.8 Ų | 91.8 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.1 | -51 | 176.7 | -73.9 | 164.9 | 175.8 | 0 | 0 | 111.2 | Q396 Q397 Q402 T403 E404 | Q396-E400 WeakPolarHBondContact CG-OE1 3.41Å; Q396-E400 PolarHBondContact NE2-OE1 3.33Å; Q396-E400 WeakPolarHBondContact O-CG 3.11Å; Q396-E400 PolarHBondContact O-N 2.89Å; Q397-E400 PolarHBondContact O-N 3.08Å; E400-Q402 VanDerWaalsContact C-N 3.32Å; E400-Q402 PolarHBondContact O-N 2.84Å; E400-T403 WeakPolarHBondContact CA-OG1 3.44Å; E400-T403 PolarHBondContact O-N 3.12Å; E400-T403 PolarHBondContact O-OG1 3.37Å; E400-E404 PolarHBondContact O-N 2.97Å |
| 401 | S | 98.7 | Very high | 98.7 | Very high | 62 Ų | 62 | 92.9 Ų | 92.9 | 43% | 0.434 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -40.4 | 175.3 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | Q397 T403 E404 V405 | Q397-S401 WeakPolarHBondContact O-CB 3.37Å; Q397-S401 PolarHBondContact O-N 3.24Å; S401-T403 VanDerWaalsContact C-N 3.33Å; S401-T403 PolarHBondContact O-N 2.92Å; S401-E404 PolarHBondContact O-N 3.38Å; S401-V405 WeakPolarHBondContact O-CG2 3.43Å; S401-V405 PolarHBondContact O-N 2.69Å |
| 402 | Q | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 93.1 Ų | 93.1 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -36 | 174.2 | -176.3 | 61.1 | 85.9 | 0 | 0 | 112.6 | L398 K399 E400 N406 | L398-Q402 VanDerWaalsContact O-CB 3.31Å; L398-Q402 WeakPolarHBondContact O-CB 3.31Å; L398-Q402 PolarHBondContact O-N 3.23Å; K399-Q402 PolarHBondContact O-N 3.08Å; E400-Q402 VanDerWaalsContact C-N 3.32Å; E400-Q402 PolarHBondContact O-N 2.84Å; Q402-N406 PolarHBondContact NE2-OD1 3.37Å; Q402-N406 VanDerWaalsContact NE2-OD1 3.09Å; Q402-N406 WeakPolarHBondContact O-CB 3.4Å; Q402-N406 PolarHBondContact O-N 3.27Å; Q402-N406 VanDerWaalsContact O-N 3.14Å; Q402-N406 PolarHBondContact O-ND2 3.32Å; Q402-N406 PolarHBondContact O-OD1 2.95Å |
| 403 | T | 98.6 | Very high | 98.8 | Very high | 84 Ų | 84 | 95.3 Ų | 95.3 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.4 | -36.9 | 173.4 | 51.2 | 0 | 0 | 0 | 0 | 112.8 | K399 E400 S401 N406 A407 | K399-T403 PolarHBondContact O-N 2.72Å; K399-T403 PolarHBondContact O-OG1 3.04Å; E400-T403 WeakPolarHBondContact CA-OG1 3.44Å; E400-T403 PolarHBondContact O-N 3.12Å; E400-T403 PolarHBondContact O-OG1 3.37Å; S401-T403 VanDerWaalsContact C-N 3.33Å; S401-T403 PolarHBondContact O-N 2.92Å; T403-N406 PolarHBondContact O-N 3.41Å; T403-A407 PolarHBondContact O-N 2.91Å |
| 404 | E | 98.8 | Very high | 98.8 | Very high | 121 Ų | 121 | 91.9 Ų | 91.9 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.7 | -46.7 | 174.6 | -174.8 | -179.8 | -167.1 | 0 | 0 | 111.5 | E400 S401 N406 A407 K408 | E400-E404 PolarHBondContact O-N 2.97Å; S401-E404 PolarHBondContact O-N 3.38Å; E404-N406 VanDerWaalsContact C-N 3.27Å; E404-N406 PolarHBondContact O-N 3.14Å; E404-A407 WeakPolarHBondContact O-CB 3.47Å; E404-A407 PolarHBondContact O-N 3.44Å; E404-A407 VanDerWaalsContact O-N 3.12Å; E404-K408 HydrophobicContact CG-CG 4.42Å; E404-K408 WeakPolarHBondContact O-CG 3.33Å; E404-K408 PolarHBondContact O-N 2.86Å |
| 405 | V | 98.8 | Very high | 98.8 | Very high | 82 Ų | 82 | 91.1 Ų | 91.1 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -58.2 | -40.3 | 175.8 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | S401 K408 A409 | S401-V405 WeakPolarHBondContact O-CG2 3.43Å; S401-V405 PolarHBondContact O-N 2.69Å; V405-K408 PolarHBondContact O-N 3.09Å; V405-A409 WeakPolarHBondContact O-CB 3.45Å; V405-A409 PolarHBondContact O-N 3.44Å |
| 406 | N | 98.6 | Very high | 98.8 | Very high | 87 Ų | 87 | 91 Ų | 91 | 47% | 0.465 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68 | -38.3 | 176.5 | -69.8 | -12.1 | 0 | 0 | 0 | 112.5 | Q402 T403 E404 S410 | Q402-N406 PolarHBondContact NE2-OD1 3.37Å; Q402-N406 VanDerWaalsContact NE2-OD1 3.09Å; Q402-N406 WeakPolarHBondContact O-CB 3.4Å; Q402-N406 PolarHBondContact O-N 3.27Å; Q402-N406 VanDerWaalsContact O-N 3.14Å; Q402-N406 PolarHBondContact O-ND2 3.32Å; Q402-N406 PolarHBondContact O-OD1 2.95Å; T403-N406 PolarHBondContact O-N 3.41Å; E404-N406 VanDerWaalsContact C-N 3.27Å; E404-N406 PolarHBondContact O-N 3.14Å; N406-S410 WeakPolarHBondContact O-CB 3.36Å; N406-S410 PolarHBondContact O-N 3.4Å; N406-S410 VanDerWaalsContact O-N 3.08Å; N406-S410 PolarHBondContact O-OG 2.69Å |
| 407 | A | 98.8 | Very high | 98.8 | Very high | 57 Ų | 57 | 89.6 Ų | 89.6 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64 | -46 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T403 E404 A409 S410 E411 | T403-A407 PolarHBondContact O-N 2.91Å; E404-A407 WeakPolarHBondContact O-CB 3.47Å; E404-A407 PolarHBondContact O-N 3.44Å; E404-A407 VanDerWaalsContact O-N 3.12Å; A407-A409 PolarHBondContact O-N 3.47Å; A407-S410 WeakPolarHBondContact O-CB 3.46Å; A407-S410 PolarHBondContact O-N 2.89Å; A407-S410 VanDerWaalsContact O-N 3.12Å; A407-E411 PolarHBondContact O-N 3.08Å |
| 408 | K | 98.8 | Very high | 98.8 | Very high | 99 Ų | 99 | 90.7 Ų | 90.7 | 43% | 0.43 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 177.6 | -69.7 | -73.3 | 160 | -161.4 | 0 | 112.8 | E404 V405 S410 E411 I412 | E404-K408 HydrophobicContact CG-CG 4.42Å; E404-K408 WeakPolarHBondContact O-CG 3.33Å; E404-K408 PolarHBondContact O-N 2.86Å; V405-K408 PolarHBondContact O-N 3.09Å; K408-S410 VanDerWaalsContact C-N 3.3Å; K408-S410 PolarHBondContact O-N 3.46Å; K408-E411 WeakPolarHBondContact CD-OE2 3.46Å; K408-E411 WeakPolarHBondContact CE-OE2 3.25Å; K408-E411 IonicContact NZ-OE1 3.97Å; K408-E411 IonicContact NZ-OE2 3.26Å; K408-E411 PolarHBondContact NZ-OE2 2.77Å; K408-E411 PolarHBondContact O-N 3.07Å; K408-I412 WeakPolarHBondContact O-CB 3.36Å; K408-I412 WeakPolarHBondContact O-CD1 3.25Å; K408-I412 VanDerWaalsContact O-CG1 3.25Å; K408-I412 WeakPolarHBondContact O-CG1 3.5Å; K408-I412 PolarHBondContact O-N 2.98Å |
| 409 | A | 98.8 | Very high | 98.8 | Very high | 46 Ų | 46 | 90.2 Ų | 90.2 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | V405 A407 I412 L413 | V405-A409 WeakPolarHBondContact O-CB 3.45Å; V405-A409 PolarHBondContact O-N 3.44Å; A407-A409 PolarHBondContact O-N 3.47Å; A409-I412 PolarHBondContact O-N 2.9Å; A409-L413 WeakPolarHBondContact O-CG 3.48Å; A409-L413 PolarHBondContact O-N 2.96Å |
| 410 | S | 98.7 | Very high | 98.8 | Very high | 78 Ų | 78 | 91.2 Ų | 91.2 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 177.1 | -54.6 | 0 | 0 | 0 | 0 | 112.1 | N406 A407 K408 L413 G414 | N406-S410 WeakPolarHBondContact O-CB 3.36Å; N406-S410 PolarHBondContact O-N 3.4Å; N406-S410 VanDerWaalsContact O-N 3.08Å; N406-S410 PolarHBondContact O-OG 2.69Å; A407-S410 WeakPolarHBondContact O-CB 3.46Å; A407-S410 PolarHBondContact O-N 2.89Å; A407-S410 VanDerWaalsContact O-N 3.12Å; K408-S410 VanDerWaalsContact C-N 3.3Å; K408-S410 PolarHBondContact O-N 3.46Å; S410-L413 PolarHBondContact O-N 3.12Å; S410-G414 PolarHBondContact O-N 3.4Å |
| 411 | E | 98.8 | Very high | 98.7 | Very high | 97 Ų | 97 | 91 Ų | 91 | 45% | 0.453 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 173.1 | -173.1 | -177.7 | 159.3 | 0 | 0 | 111.5 | A407 K408 L413 G414 L415 | A407-E411 PolarHBondContact O-N 3.08Å; K408-E411 WeakPolarHBondContact CD-OE2 3.46Å; K408-E411 WeakPolarHBondContact CE-OE2 3.25Å; K408-E411 IonicContact NZ-OE1 3.97Å; K408-E411 IonicContact NZ-OE2 3.26Å; K408-E411 PolarHBondContact NZ-OE2 2.77Å; K408-E411 PolarHBondContact O-N 3.07Å; E411-L413 VanDerWaalsContact C-N 3.3Å; E411-L413 PolarHBondContact O-N 3.5Å; E411-G414 PolarHBondContact O-N 2.88Å; E411-L415 HydrophobicContact CG-CD1 4.22Å; E411-L415 WeakPolarHBondContact O-CG 3.49Å; E411-L415 PolarHBondContact O-N 3.17Å |
| 412 | I | 98.8 | Very high | 98.7 | Very high | 90 Ų | 90 | 92 Ų | 92 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -37.3 | 176.3 | -71 | 164.4 | 0 | 0 | 0 | 111.8 | K408 A409 K416 | K408-I412 WeakPolarHBondContact O-CB 3.36Å; K408-I412 WeakPolarHBondContact O-CD1 3.25Å; K408-I412 VanDerWaalsContact O-CG1 3.25Å; K408-I412 WeakPolarHBondContact O-CG1 3.5Å; K408-I412 PolarHBondContact O-N 2.98Å; A409-I412 PolarHBondContact O-N 2.9Å; I412-K416 HydrophobicContact CG2-CD 4.13Å; I412-K416 WeakPolarHBondContact O-CB 3.36Å; I412-K416 VanDerWaalsContact O-CG 3.25Å; I412-K416 WeakPolarHBondContact O-CG 3.4Å; I412-K416 PolarHBondContact O-N 3.34Å |
| 413 | L | 98.8 | Very high | 98.7 | Very high | 116 Ų | 116 | 94.5 Ų | 94.5 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.2 | -41.6 | 174.9 | -71.8 | 170.5 | 0 | 0 | 0 | 111.8 | A409 S410 E411 K416 A417 | A409-L413 WeakPolarHBondContact O-CG 3.48Å; A409-L413 PolarHBondContact O-N 2.96Å; S410-L413 PolarHBondContact O-N 3.12Å; E411-L413 VanDerWaalsContact C-N 3.3Å; E411-L413 PolarHBondContact O-N 3.5Å; L413-K416 PolarHBondContact O-N 3.37Å; L413-A417 PolarHBondContact O-N 3.26Å |
| 414 | G | 98.8 | Very high | 98.7 | Very high | 31 Ų | 31 | 92.3 Ų | 92.3 | 32% | 0.32 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -47.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S410 E411 K416 A417 Q418 | S410-G414 PolarHBondContact O-N 3.4Å; E411-G414 PolarHBondContact O-N 2.88Å; G414-K416 PolarHBondContact O-N 3.21Å; G414-A417 WeakPolarHBondContact O-CB 3.39Å; G414-A417 PolarHBondContact O-N 3.46Å; G414-Q418 WeakPolarHBondContact O-CG 3.35Å; G414-Q418 PolarHBondContact O-N 2.97Å |
| 415 | L | 98.8 | Very high | 98.7 | Very high | 92 Ų | 92 | 92.7 Ų | 92.7 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 176.6 | -69.2 | 171.6 | 0 | 0 | 0 | 112.3 | E411 Q418 L419 | E411-L415 HydrophobicContact CG-CD1 4.22Å; E411-L415 WeakPolarHBondContact O-CG 3.49Å; E411-L415 PolarHBondContact O-N 3.17Å; L415-Q418 PolarHBondContact O-N 2.97Å; L415-L419 WeakPolarHBondContact O-CB 3.38Å; L415-L419 PolarHBondContact O-N 3.11Å |
| 416 | K | 98.8 | Very high | 98.7 | Very high | 135 Ų | 135 | 93.2 Ų | 93.2 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -38 | 173.4 | -79.3 | 172.4 | 179.3 | 177.5 | 0 | 112.7 | I412 L413 G414 K420 | I412-K416 HydrophobicContact CG2-CD 4.13Å; I412-K416 WeakPolarHBondContact O-CB 3.36Å; I412-K416 VanDerWaalsContact O-CG 3.25Å; I412-K416 WeakPolarHBondContact O-CG 3.4Å; I412-K416 PolarHBondContact O-N 3.34Å; L413-K416 PolarHBondContact O-N 3.37Å; G414-K416 PolarHBondContact O-N 3.21Å; K416-K420 PolarHBondContact O-N 2.79Å; K416-K420 VanDerWaalsContact O-N 3.11Å |
| 417 | A | 98.8 | Very high | 98.7 | Very high | 51 Ų | 51 | 93.2 Ų | 93.2 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.8 | -48.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L413 G414 L419 K420 D421 | L413-A417 PolarHBondContact O-N 3.26Å; G414-A417 WeakPolarHBondContact O-CB 3.39Å; G414-A417 PolarHBondContact O-N 3.46Å; A417-L419 VanDerWaalsContact C-N 3.31Å; A417-L419 PolarHBondContact O-N 3.14Å; A417-K420 WeakPolarHBondContact O-CB 3.47Å; A417-K420 PolarHBondContact O-N 2.73Å; A417-K420 VanDerWaalsContact O-N 3.14Å; A417-D421 PolarHBondContact O-N 3.07Å |
| 418 | Q | 98.8 | Very high | 98.7 | Very high | 119 Ų | 119 | 91.6 Ų | 91.6 | 56% | 0.556 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57.8 | -41.5 | 176 | -69.2 | 176.1 | 16.8 | 0 | 0 | 112.5 | G414 L415 D421 T422 | G414-Q418 WeakPolarHBondContact O-CG 3.35Å; G414-Q418 PolarHBondContact O-N 2.97Å; L415-Q418 PolarHBondContact O-N 2.97Å; Q418-D421 PolarHBondContact O-N 2.94Å; Q418-T422 WeakPolarHBondContact O-CG2 3.42Å; Q418-T422 PolarHBondContact O-N 3.49Å; Q418-T422 PolarHBondContact O-OG1 2.87Å; Q418-T422 VanDerWaalsContact O-OG1 3.08Å |
| 419 | L | 98.8 | Very high | 98.7 | Very high | 114 Ų | 114 | 91.4 Ų | 91.4 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.6 | -43.1 | 176.2 | -169.2 | 160.6 | 0 | 0 | 0 | 111.7 | L415 A417 D421 T422 R423 | L415-L419 WeakPolarHBondContact O-CB 3.38Å; L415-L419 PolarHBondContact O-N 3.11Å; A417-L419 VanDerWaalsContact C-N 3.31Å; A417-L419 PolarHBondContact O-N 3.14Å; L419-D421 VanDerWaalsContact C-N 3.34Å; L419-D421 PolarHBondContact O-N 3.03Å; L419-T422 WeakPolarHBondContact CA-OG1 3.37Å; L419-T422 PolarHBondContact O-OG1 2.88Å; L419-T422 VanDerWaalsContact O-OG1 3.07Å; L419-R423 VanDerWaalsContact O-CB 3.22Å; L419-R423 WeakPolarHBondContact O-CB 3.22Å; L419-R423 PolarHBondContact O-N 3.35Å |
| 420 | K | 98.8 | Very high | 98.7 | Very high | 157 Ų | 157 | 93.7 Ų | 93.7 | 68% | 0.683 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -60.8 | -43.5 | 174.5 | -172.9 | -168.9 | 174.4 | -164.8 | 0 | 111.3 | K416 A417 R423 G424 | K416-K420 PolarHBondContact O-N 2.79Å; K416-K420 VanDerWaalsContact O-N 3.11Å; A417-K420 WeakPolarHBondContact O-CB 3.47Å; A417-K420 PolarHBondContact O-N 2.73Å; A417-K420 VanDerWaalsContact O-N 3.14Å; K420-R423 PolarHBondContact O-N 3.23Å; K420-G424 PolarHBondContact O-N 2.95Å |
| 421 | D | 98.6 | Very high | 98.7 | Very high | 91 Ų | 91 | 94.7 Ų | 94.7 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70 | -38.8 | -179.2 | -70.9 | -5.6 | 0 | 0 | 0 | 112.8 | A417 Q418 L419 K425 | A417-D421 PolarHBondContact O-N 3.07Å; Q418-D421 PolarHBondContact O-N 2.94Å; L419-D421 VanDerWaalsContact C-N 3.34Å; L419-D421 PolarHBondContact O-N 3.03Å; D421-K425 VanDerWaalsContact O-CD 3.31Å; D421-K425 WeakPolarHBondContact O-CD 3.42Å; D421-K425 WeakPolarHBondContact O-CG 3.44Å; D421-K425 PolarHBondContact O-N 3.08Å; D421-K425 VanDerWaalsContact O-N 3.08Å |
| 422 | T | 98.6 | Very high | 98.7 | Very high | 84 Ų | 84 | 96.6 Ų | 96.6 | 52% | 0.515 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.1 | -38.1 | 174.4 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | Q418 L419 K425 L426 | Q418-T422 WeakPolarHBondContact O-CG2 3.42Å; Q418-T422 PolarHBondContact O-N 3.49Å; Q418-T422 PolarHBondContact O-OG1 2.87Å; Q418-T422 VanDerWaalsContact O-OG1 3.08Å; L419-T422 WeakPolarHBondContact CA-OG1 3.37Å; L419-T422 PolarHBondContact O-OG1 2.88Å; L419-T422 VanDerWaalsContact O-OG1 3.07Å; T422-K425 PolarHBondContact O-N 3.28Å; T422-L426 PolarHBondContact O-N 3.31Å |
| 423 | R | 98.8 | Very high | 98.7 | Very high | 153 Ų | 153 | 95.6 Ų | 95.6 | 58% | 0.577 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.9 | -49.1 | 171.9 | 178.1 | 177.6 | 167.9 | 141.5 | 13.2 | 111.9 | L419 K420 K425 L426 E427 | L419-R423 VanDerWaalsContact O-CB 3.22Å; L419-R423 WeakPolarHBondContact O-CB 3.22Å; L419-R423 PolarHBondContact O-N 3.35Å; K420-R423 PolarHBondContact O-N 3.23Å; R423-K425 VanDerWaalsContact C-N 3.26Å; R423-K425 PolarHBondContact O-N 2.86Å; R423-L426 WeakPolarHBondContact O-CB 3.44Å; R423-L426 PolarHBondContact O-N 2.94Å; R423-E427 HydrophobicContact CG-CG 4.35Å; R423-E427 IonicContact CZ-OE1 3.63Å; R423-E427 IonicContact NE-OE1 2.69Å; R423-E427 PolarHBondContact NE-OE1 2.83Å; R423-E427 IonicContact NH2-OE1 2.58Å; R423-E427 PolarHBondContact NH2-OE1 3.05Å; R423-E427 WeakPolarHBondContact O-CG 3.38Å; R423-E427 PolarHBondContact O-N 2.97Å |
| 424 | G | 98.6 | Very high | 98.7 | Very high | 38 Ų | 38 | 95.5 Ų | 95.5 | 39% | 0.392 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.2 | -30.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K420 G428 | K420-G424 PolarHBondContact O-N 2.95Å; G424-G428 PolarHBondContact O-N 3.19Å |
| 425 | K | 98.6 | Very high | 98.7 | Very high | 130 Ų | 130 | 98.9 Ų | 98.9 | 57% | 0.565 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -69.3 | -35.9 | 171.8 | -71.3 | 160.7 | -169.2 | 162.4 | 0 | 112.3 | D421 T422 R423 L429 | D421-K425 VanDerWaalsContact O-CD 3.31Å; D421-K425 WeakPolarHBondContact O-CD 3.42Å; D421-K425 WeakPolarHBondContact O-CG 3.44Å; D421-K425 PolarHBondContact O-N 3.08Å; D421-K425 VanDerWaalsContact O-N 3.08Å; T422-K425 PolarHBondContact O-N 3.28Å; R423-K425 VanDerWaalsContact C-N 3.26Å; R423-K425 PolarHBondContact O-N 2.86Å; K425-L429 WeakPolarHBondContact O-CG 3.37Å; K425-L429 PolarHBondContact O-N 3.43Å; K425-L429 VanDerWaalsContact O-N 3.09Å |
| 426 | L | 98.6 | Very high | 98.7 | Very high | 93 Ų | 93 | 100.4 Ų | 100.4 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.8 | -52 | 175.2 | 176.8 | 62.2 | 0 | 0 | 0 | 111.5 | T422 R423 G428 L429 E430 | T422-L426 PolarHBondContact O-N 3.31Å; R423-L426 WeakPolarHBondContact O-CB 3.44Å; R423-L426 PolarHBondContact O-N 2.94Å; L426-G428 PolarHBondContact O-N 3.45Å; L426-L429 CarbonylContact O-C 3.56Å; L426-L429 WeakPolarHBondContact O-CA 3.2Å; L426-L429 WeakPolarHBondContact O-CB 3.44Å; L426-L429 PolarHBondContact O-N 3.28Å; L426-E430 HydrophobicContact CD1-CG 4.27Å; L426-E430 HydrophobicContact CG-CG 4.44Å; L426-E430 WeakPolarHBondContact O-CG 3.31Å; L426-E430 PolarHBondContact O-N 3.08Å |
| 427 | E | 98.7 | Very high | 98.7 | Very high | 87 Ų | 87 | 98.8 Ų | 98.8 | 41% | 0.407 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -55.9 | -39 | 176.1 | -68.8 | 169.3 | 162.2 | 0 | 0 | 110.8 | R423 L429 L431 | R423-E427 HydrophobicContact CG-CG 4.35Å; R423-E427 IonicContact CZ-OE1 3.63Å; R423-E427 IonicContact NE-OE1 2.69Å; R423-E427 PolarHBondContact NE-OE1 2.83Å; R423-E427 IonicContact NH2-OE1 2.58Å; R423-E427 PolarHBondContact NH2-OE1 3.05Å; R423-E427 WeakPolarHBondContact O-CG 3.38Å; R423-E427 PolarHBondContact O-N 2.97Å; E427-L429 PolarHBondContact O-N 3.17Å; E427-L431 PolarHBondContact O-N 3.49Å; E427-L431 VanDerWaalsContact O-N 3.16Å |
| 428 | G | 98.6 | Very high | 98.7 | Very high | 22 Ų | 22 | 97.4 Ų | 97.4 | 23% | 0.227 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -73.4 | -16.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | G424 L426 R432 | G424-G428 PolarHBondContact O-N 3.19Å; L426-G428 PolarHBondContact O-N 3.45Å; G428-R432 WeakPolarHBondContact O-CG 3.4Å; G428-R432 PolarHBondContact O-NE 3.17Å; G428-R432 PolarHBondContact O-NH1 3.44Å; G428-R432 PolarHBondContact O-NH2 2.82Å |
| 429 | L | 98.6 | Very high | 98.7 | Very high | 95 Ų | 95 | 94.1 Ų | 94.1 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -83.8 | -44.7 | 169.5 | -83.1 | 161.6 | 0 | 0 | 0 | 110.8 | K425 L426 E427 L431 R432 T433 | K425-L429 WeakPolarHBondContact O-CG 3.37Å; K425-L429 PolarHBondContact O-N 3.43Å; K425-L429 VanDerWaalsContact O-N 3.09Å; L426-L429 CarbonylContact O-C 3.56Å; L426-L429 WeakPolarHBondContact O-CA 3.2Å; L426-L429 WeakPolarHBondContact O-CB 3.44Å; L426-L429 PolarHBondContact O-N 3.28Å; E427-L429 PolarHBondContact O-N 3.17Å; L429-L431 VanDerWaalsContact C-N 3.3Å; L429-L431 PolarHBondContact O-N 2.96Å; L429-R432 PolarHBondContact O-N 3.06Å; L429-T433 PolarHBondContact O-N 3.25Å; L429-T433 PolarHBondContact O-OG1 2.97Å |
| 430 | E | 98.7 | Very high | 98.6 | Very high | 95 Ų | 95 | 94.8 Ų | 94.8 | 44% | 0.444 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -54.4 | -44.9 | 176.2 | -69.5 | 168.5 | 169.1 | 0 | 0 | 111.6 | L426 R432 T433 Q434 | L426-E430 HydrophobicContact CD1-CG 4.27Å; L426-E430 HydrophobicContact CG-CG 4.44Å; L426-E430 WeakPolarHBondContact O-CG 3.31Å; L426-E430 PolarHBondContact O-N 3.08Å; E430-R432 PolarHBondContact O-N 3.36Å; E430-T433 WeakPolarHBondContact O-CB 3.33Å; E430-T433 PolarHBondContact O-N 2.95Å; E430-T433 VanDerWaalsContact O-N 3.17Å; E430-Q434 WeakPolarHBondContact O-CG 3.47Å; E430-Q434 PolarHBondContact O-N 2.91Å |
| 431 | L | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 95.4 Ų | 95.4 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | 175.3 | -176.9 | 61.8 | 0 | 0 | 0 | 112.6 | E427 L429 T433 Q434 D435 | E427-L431 PolarHBondContact O-N 3.49Å; E427-L431 VanDerWaalsContact O-N 3.16Å; L429-L431 VanDerWaalsContact C-N 3.3Å; L429-L431 PolarHBondContact O-N 2.96Å; L431-T433 VanDerWaalsContact C-N 3.3Å; L431-T433 PolarHBondContact O-N 3.06Å; L431-Q434 WeakPolarHBondContact O-CB 3.42Å; L431-Q434 PolarHBondContact O-N 3.43Å; L431-D435 PolarHBondContact O-N 3.09Å |
| 432 | R | 98.7 | Very high | 98.6 | Very high | 137 Ų | 137 | 94.7 Ų | 94.7 | 52% | 0.517 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.8 | -31.2 | 176.9 | -65.1 | -176.8 | -146.9 | 98.1 | 9.6 | 112.3 | G428 L429 E430 L436 | G428-R432 WeakPolarHBondContact O-CG 3.4Å; G428-R432 PolarHBondContact O-NE 3.17Å; G428-R432 PolarHBondContact O-NH1 3.44Å; G428-R432 PolarHBondContact O-NH2 2.82Å; L429-R432 PolarHBondContact O-N 3.06Å; E430-R432 PolarHBondContact O-N 3.36Å; R432-L436 WeakPolarHBondContact O-CB 3.33Å; R432-L436 VanDerWaalsContact O-CG 3.26Å; R432-L436 WeakPolarHBondContact O-CG 3.43Å; R432-L436 PolarHBondContact O-N 3.4Å |
| 433 | T | 98.6 | Very high | 98.6 | Very high | 69 Ų | 69 | 95.9 Ų | 95.9 | 42% | 0.423 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 172.3 | -54.7 | 0 | 0 | 0 | 0 | 110.1 | L429 E430 L431 D435 L436 E437 | L429-T433 PolarHBondContact O-N 3.25Å; L429-T433 PolarHBondContact O-OG1 2.97Å; E430-T433 WeakPolarHBondContact O-CB 3.33Å; E430-T433 PolarHBondContact O-N 2.95Å; E430-T433 VanDerWaalsContact O-N 3.17Å; L431-T433 VanDerWaalsContact C-N 3.3Å; L431-T433 PolarHBondContact O-N 3.06Å; T433-D435 PolarHBondContact O-N 2.94Å; T433-L436 PolarHBondContact O-N 2.86Å; T433-L436 VanDerWaalsContact O-N 3.17Å; T433-E437 HydrophobicContact CG2-CG 4.45Å; T433-E437 WeakPolarHBondContact O-CB 3.48Å; T433-E437 WeakPolarHBondContact O-CG 3.5Å; T433-E437 PolarHBondContact O-N 3.22Å |
| 434 | Q | 98.7 | Very high | 98.6 | Very high | 114 Ų | 114 | 90 Ų | 90 | 53% | 0.533 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 175.5 | -67.2 | 172 | 17.9 | 0 | 0 | 112.7 | E430 L431 E437 G438 | E430-Q434 WeakPolarHBondContact O-CG 3.47Å; E430-Q434 PolarHBondContact O-N 2.91Å; L431-Q434 WeakPolarHBondContact O-CB 3.42Å; L431-Q434 PolarHBondContact O-N 3.43Å; Q434-E437 PolarHBondContact O-N 2.91Å; Q434-G438 PolarHBondContact O-N 3.16Å |
| 435 | D | 98.6 | Very high | 98.6 | Very high | 102 Ų | 102 | 93.2 Ų | 93.2 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 172.9 | -71 | -34.2 | 0 | 0 | 0 | 111.4 | L431 T433 G438 A439 | L431-D435 PolarHBondContact O-N 3.09Å; T433-D435 PolarHBondContact O-N 2.94Å; D435-G438 PolarHBondContact O-N 3.37Å; D435-A439 PolarHBondContact O-N 3.02Å |
| 436 | L | 98.5 | Very high | 98.6 | Very high | 124 Ų | 124 | 91.1 Ų | 91.1 | 65% | 0.649 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -70.2 | -38.3 | 178.7 | -71.7 | 170.2 | 0 | 0 | 0 | 112.5 | R432 T433 G438 A439 L440 | R432-L436 WeakPolarHBondContact O-CB 3.33Å; R432-L436 VanDerWaalsContact O-CG 3.26Å; R432-L436 WeakPolarHBondContact O-CG 3.43Å; R432-L436 PolarHBondContact O-N 3.4Å; T433-L436 PolarHBondContact O-N 2.86Å; T433-L436 VanDerWaalsContact O-N 3.17Å; L436-G438 VanDerWaalsContact C-N 3.31Å; L436-A439 PolarHBondContact O-N 3.45Å; L436-L440 VanDerWaalsContact O-CB 3.26Å; L436-L440 WeakPolarHBondContact O-CB 3.29Å; L436-L440 PolarHBondContact O-N 3.2Å |
| 437 | E | 98.7 | Very high | 98.6 | Very high | 102 Ų | 102 | 92.6 Ų | 92.6 | 48% | 0.477 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.1 | -34 | 171.5 | -73.2 | 171 | -179.2 | 0 | 0 | 112 | T433 Q434 R441 | T433-E437 HydrophobicContact CG2-CG 4.45Å; T433-E437 WeakPolarHBondContact O-CB 3.48Å; T433-E437 WeakPolarHBondContact O-CG 3.5Å; T433-E437 PolarHBondContact O-N 3.22Å; Q434-E437 PolarHBondContact O-N 2.91Å; E437-R441 WeakPolarHBondContact O-CG 3.35Å; E437-R441 PolarHBondContact O-N 3.14Å; E437-R441 VanDerWaalsContact O-N 3.14Å; E437-R441 PolarHBondContact O-NE 3.35Å |
| 438 | G | 98.7 | Very high | 98.6 | Very high | 21 Ų | 21 | 94 Ų | 94 | 22% | 0.216 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -63.7 | -52.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q434 D435 L436 L440 R441 T442 | Q434-G438 PolarHBondContact O-N 3.16Å; D435-G438 PolarHBondContact O-N 3.37Å; L436-G438 VanDerWaalsContact C-N 3.31Å; G438-L440 VanDerWaalsContact C-N 3.34Å; G438-L440 PolarHBondContact O-N 2.82Å; G438-R441 PolarHBondContact O-N 3.26Å; G438-T442 PolarHBondContact O-N 2.82Å; G438-T442 PolarHBondContact O-OG1 3.39Å |
| 439 | A | 98.6 | Very high | 98.6 | Very high | 51 Ų | 51 | 96.9 Ų | 96.9 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D435 L436 T442 K443 | D435-A439 PolarHBondContact O-N 3.02Å; L436-A439 PolarHBondContact O-N 3.45Å; A439-T442 PolarHBondContact O-N 3.06Å; A439-K443 WeakPolarHBondContact O-CG 3.49Å; A439-K443 PolarHBondContact O-N 3.32Å |
| 440 | L | 98.6 | Very high | 98.6 | Very high | 128 Ų | 128 | 95.9 Ų | 95.9 | 67% | 0.67 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.3 | -43.3 | 177.7 | -178.6 | 61.7 | 0 | 0 | 0 | 111.9 | L436 G438 K443 G444 | L436-L440 VanDerWaalsContact O-CB 3.26Å; L436-L440 WeakPolarHBondContact O-CB 3.29Å; L436-L440 PolarHBondContact O-N 3.2Å; G438-L440 VanDerWaalsContact C-N 3.34Å; G438-L440 PolarHBondContact O-N 2.82Å; L440-K443 PolarHBondContact O-N 3.38Å; L440-G444 PolarHBondContact O-N 3.11Å |
| 441 | R | 98.7 | Very high | 98.5 | Very high | 170 Ų | 170 | 96.9 Ų | 96.9 | 64% | 0.642 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.9 | -43.3 | 174.4 | -77.1 | 176 | -69.5 | 151 | -6.8 | 112 | E437 G438 K443 G444 L445 | E437-R441 WeakPolarHBondContact O-CG 3.35Å; E437-R441 PolarHBondContact O-N 3.14Å; E437-R441 VanDerWaalsContact O-N 3.14Å; E437-R441 PolarHBondContact O-NE 3.35Å; G438-R441 PolarHBondContact O-N 3.26Å; R441-K443 VanDerWaalsContact C-N 3.32Å; R441-K443 PolarHBondContact O-N 3.45Å; R441-G444 PolarHBondContact O-N 3.13Å; R441-L445 PolarHBondContact O-N 2.88Å; R441-L445 VanDerWaalsContact O-N 3.11Å |
| 442 | T | 98.6 | Very high | 98.5 | Very high | 76 Ų | 76 | 97.6 Ų | 97.6 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 174.1 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | G438 A439 L445 E446 | G438-T442 PolarHBondContact O-N 2.82Å; G438-T442 PolarHBondContact O-OG1 3.39Å; A439-T442 PolarHBondContact O-N 3.06Å; T442-L445 PolarHBondContact O-N 3.33Å; T442-E446 WeakPolarHBondContact O-CG 3.24Å; T442-E446 PolarHBondContact O-N 3.06Å |
| 443 | K | 98.4 | Very high | 98.5 | Very high | 109 Ų | 109 | 96.9 Ų | 96.9 | 47% | 0.474 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69 | -29.7 | 175 | -67.6 | -43.9 | -171.5 | -170.9 | 0 | 113.8 | A439 L440 R441 E446 L447 | A439-K443 WeakPolarHBondContact O-CG 3.49Å; A439-K443 PolarHBondContact O-N 3.32Å; L440-K443 PolarHBondContact O-N 3.38Å; R441-K443 VanDerWaalsContact C-N 3.32Å; R441-K443 PolarHBondContact O-N 3.45Å; K443-E446 VanDerWaalsContact CD-CD 3.48Å; K443-E446 WeakPolarHBondContact CD-OE1 3.21Å; K443-E446 VanDerWaalsContact CD-OE2 3.28Å; K443-E446 WeakPolarHBondContact CD-OE2 3.19Å; K443-E446 IonicContact NZ-OE1 2.83Å; K443-E446 PolarHBondContact NZ-OE1 3.14Å; K443-E446 IonicContact NZ-OE2 3.18Å; K443-E446 PolarHBondContact NZ-OE2 3.23Å; K443-L447 WeakPolarHBondContact O-CB 3.26Å; K443-L447 VanDerWaalsContact O-CG 3.27Å; K443-L447 WeakPolarHBondContact O-CG 3.26Å; K443-L447 PolarHBondContact O-N 3.42Å |
| 444 | G | 98.6 | Very high | 98.5 | Very high | 30 Ų | 30 | 98.2 Ų | 98.2 | 31% | 0.309 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -51.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L440 R441 E446 L447 E448 | L440-G444 PolarHBondContact O-N 3.11Å; R441-G444 PolarHBondContact O-N 3.13Å; G444-E446 PolarHBondContact O-N 3.43Å; G444-L447 PolarHBondContact O-N 2.92Å; G444-L447 VanDerWaalsContact O-N 3.13Å; G444-E448 WeakPolarHBondContact O-CG 3.47Å; G444-E448 PolarHBondContact O-N 3.17Å |
| 445 | L | 98.5 | Very high | 98.4 | Very high | 105 Ų | 105 | 96.1 Ų | 96.1 | 55% | 0.55 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 178.1 | -63.2 | 172.3 | 0 | 0 | 0 | 112.9 | R441 T442 L447 E448 V449 | R441-L445 PolarHBondContact O-N 2.88Å; R441-L445 VanDerWaalsContact O-N 3.11Å; T442-L445 PolarHBondContact O-N 3.33Å; L445-L447 VanDerWaalsContact C-N 3.35Å; L445-E448 PolarHBondContact O-N 3.18Å; L445-V449 WeakPolarHBondContact O-CG2 3.41Å; L445-V449 PolarHBondContact O-N 3.35Å; L445-V449 VanDerWaalsContact O-N 3.1Å |
| 446 | E | 98.5 | Very high | 98.4 | Very high | 86 Ų | 86 | 97.4 Ų | 97.4 | 40% | 0.402 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 172.7 | -73.7 | 176.8 | -144.5 | 0 | 0 | 112.1 | T442 K443 G444 V449 C450 | T442-E446 WeakPolarHBondContact O-CG 3.24Å; T442-E446 PolarHBondContact O-N 3.06Å; K443-E446 VanDerWaalsContact CD-CD 3.48Å; K443-E446 WeakPolarHBondContact CD-OE1 3.21Å; K443-E446 VanDerWaalsContact CD-OE2 3.28Å; K443-E446 WeakPolarHBondContact CD-OE2 3.19Å; K443-E446 IonicContact NZ-OE1 2.83Å; K443-E446 PolarHBondContact NZ-OE1 3.14Å; K443-E446 IonicContact NZ-OE2 3.18Å; K443-E446 PolarHBondContact NZ-OE2 3.23Å; G444-E446 PolarHBondContact O-N 3.43Å; E446-V449 PolarHBondContact O-N 3.01Å; E446-C450 PolarHBondContact O-N 3.43Å; E446-C450 PolarHBondContact O-SG 3.3Å; E446-C450 VanDerWaalsContact O-SG 3.35Å |
| 447 | L | 98.3 | Very high | 98.4 | Very high | 123 Ų | 123 | 97.2 Ų | 97.2 | 64% | 0.644 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.1 | -39.7 | 177.4 | -72.9 | 169.1 | 0 | 0 | 0 | 112.2 | K443 G444 L445 V449 C450 E451 | K443-L447 WeakPolarHBondContact O-CB 3.26Å; K443-L447 VanDerWaalsContact O-CG 3.27Å; K443-L447 WeakPolarHBondContact O-CG 3.26Å; K443-L447 PolarHBondContact O-N 3.42Å; G444-L447 PolarHBondContact O-N 2.92Å; G444-L447 VanDerWaalsContact O-N 3.13Å; L445-L447 VanDerWaalsContact C-N 3.35Å; L447-V449 VanDerWaalsContact C-N 3.32Å; L447-V449 PolarHBondContact O-N 2.94Å; L447-C450 PolarHBondContact O-N 2.9Å; L447-E451 PolarHBondContact O-N 3.37Å |
| 448 | E | 98.4 | Very high | 98.4 | Very high | 116 Ų | 116 | 96.4 Ų | 96.4 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 173.1 | -73.5 | 172.9 | -164.1 | 0 | 0 | 111.6 | G444 L445 E451 N452 | G444-E448 WeakPolarHBondContact O-CG 3.47Å; G444-E448 PolarHBondContact O-N 3.17Å; L445-E448 PolarHBondContact O-N 3.18Å; E448-E451 PolarHBondContact O-N 3.37Å; E448-N452 PolarHBondContact O-N 3.27Å; E448-N452 PolarHBondContact O-ND2 3.31Å |
| 449 | V | 98.4 | Very high | 98.3 | Very high | 83 Ų | 83 | 100.2 Ų | 100.2 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -48.2 | 175.3 | 172.5 | 0 | 0 | 0 | 0 | 111 | L445 E446 L447 E451 N452 E453 | L445-V449 WeakPolarHBondContact O-CG2 3.41Å; L445-V449 PolarHBondContact O-N 3.35Å; L445-V449 VanDerWaalsContact O-N 3.1Å; E446-V449 PolarHBondContact O-N 3.01Å; L447-V449 VanDerWaalsContact C-N 3.32Å; L447-V449 PolarHBondContact O-N 2.94Å; V449-E451 VanDerWaalsContact C-N 3.31Å; V449-E451 PolarHBondContact O-N 3.07Å; V449-N452 PolarHBondContact O-N 2.86Å; V449-E453 PolarHBondContact O-N 2.95Å |
| 450 | C | 98 | Very high | 98.3 | Very high | 75 Ų | 75 | 100.9 Ų | 100.9 | 51% | 0.507 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.7 | -37.2 | 177.4 | -72.1 | 0 | 0 | 0 | 0 | 112.9 | E446 L447 L454 | E446-C450 PolarHBondContact O-N 3.43Å; E446-C450 PolarHBondContact O-SG 3.3Å; E446-C450 VanDerWaalsContact O-SG 3.35Å; L447-C450 PolarHBondContact O-N 2.9Å; C450-L454 WeakPolarHBondContact O-CB 3.37Å; C450-L454 PolarHBondContact O-N 3.43Å |
| 451 | E | 98.3 | Very high | 98.2 | Very high | 116 Ų | 116 | 96.6 Ų | 96.6 | 54% | 0.542 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.1 | -45.9 | 174 | 179.4 | 161.7 | -161.3 | 0 | 0 | 111.2 | L447 E448 V449 E453 L454 Q455 | L447-E451 PolarHBondContact O-N 3.37Å; E448-E451 PolarHBondContact O-N 3.37Å; V449-E451 VanDerWaalsContact C-N 3.31Å; V449-E451 PolarHBondContact O-N 3.07Å; E451-E453 VanDerWaalsContact C-N 3.32Å; E451-E453 PolarHBondContact O-N 2.99Å; E451-L454 CarbonylContact O-C 3.58Å; E451-L454 WeakPolarHBondContact O-CB 3.48Å; E451-L454 PolarHBondContact O-N 3.17Å; E451-L454 VanDerWaalsContact O-N 3.09Å; E451-Q455 HydrophobicContact CG-CG 4.19Å; E451-Q455 WeakPolarHBondContact O-CG 3.48Å; E451-Q455 PolarHBondContact O-N 3.12Å; E451-Q455 PolarHBondContact OE1-NE2 3.46Å; E451-Q455 VanDerWaalsContact OE1-NE2 3.16Å |
| 452 | N | 98.3 | Very high | 98.2 | Very high | 113 Ų | 113 | 93 Ų | 93 | 60% | 0.604 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.8 | -42.4 | 176.3 | -82.1 | -75.9 | 0 | 0 | 0 | 112.1 | E448 V449 Q455 R456 | E448-N452 PolarHBondContact O-N 3.27Å; E448-N452 PolarHBondContact O-ND2 3.31Å; V449-N452 PolarHBondContact O-N 2.86Å; N452-Q455 PolarHBondContact O-N 2.92Å; N452-R456 WeakPolarHBondContact O-CB 3.29Å; N452-R456 PolarHBondContact O-N 3.22Å |
| 453 | E | 98.3 | Very high | 98.2 | Very high | 121 Ų | 121 | 94.8 Ų | 94.8 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.5 | -40.1 | 173.4 | -72.3 | -171.3 | 171.5 | 0 | 0 | 112.6 | V449 E451 R456 K457 | V449-E453 PolarHBondContact O-N 2.95Å; E451-E453 VanDerWaalsContact C-N 3.32Å; E451-E453 PolarHBondContact O-N 2.99Å; E453-R456 WeakPolarHBondContact O-CB 3.41Å; E453-R456 PolarHBondContact O-N 3.02Å; E453-K457 WeakPolarHBondContact O-CB 3.49Å; E453-K457 WeakPolarHBondContact O-CG 3.3Å; E453-K457 PolarHBondContact O-N 3.21Å |
| 454 | L | 97.9 | Very high | 98.1 | Very high | 98 Ų | 98 | 94.9 Ų | 94.9 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 176.5 | 176.8 | 61.7 | 0 | 0 | 0 | 112.1 | C450 E451 R456 K457 K458 | C450-L454 WeakPolarHBondContact O-CB 3.37Å; C450-L454 PolarHBondContact O-N 3.43Å; E451-L454 CarbonylContact O-C 3.58Å; E451-L454 WeakPolarHBondContact O-CB 3.48Å; E451-L454 PolarHBondContact O-N 3.17Å; E451-L454 VanDerWaalsContact O-N 3.09Å; L454-R456 VanDerWaalsContact C-N 3.34Å; L454-K457 PolarHBondContact O-N 3.28Å; L454-K458 WeakPolarHBondContact O-CG 3.17Å; L454-K458 PolarHBondContact O-N 2.92Å |
| 455 | Q | 98.1 | Very high | 98.1 | Very high | 70 Ų | 70 | 100.8 Ų | 100.8 | 33% | 0.327 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -43.1 | 174.6 | -57.6 | -62.9 | 0.2 | 0 | 0 | 110.2 | E451 N452 K457 K458 N459 | E451-Q455 HydrophobicContact CG-CG 4.19Å; E451-Q455 WeakPolarHBondContact O-CG 3.48Å; E451-Q455 PolarHBondContact O-N 3.12Å; E451-Q455 PolarHBondContact OE1-NE2 3.46Å; E451-Q455 VanDerWaalsContact OE1-NE2 3.16Å; N452-Q455 PolarHBondContact O-N 2.92Å; Q455-K457 VanDerWaalsContact C-N 3.25Å; Q455-K457 PolarHBondContact O-N 2.96Å; Q455-K458 PolarHBondContact O-N 2.89Å; Q455-K458 VanDerWaalsContact O-N 3.12Å; Q455-N459 VanDerWaalsContact O-CG 3.31Å; Q455-N459 PolarHBondContact O-N 3.2Å; Q455-N459 PolarHBondContact O-OD1 3.09Å; Q455-N459 VanDerWaalsContact O-OD1 3.07Å |
| 456 | R | 98.3 | Very high | 98.1 | Very high | 129 Ų | 129 | 101.3 Ų | 101.3 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.4 | -39.6 | 173.7 | -155.4 | -167.5 | 75.9 | 68.1 | 11.4 | 112.1 | N452 E453 L454 E460 | N452-R456 WeakPolarHBondContact O-CB 3.29Å; N452-R456 PolarHBondContact O-N 3.22Å; E453-R456 WeakPolarHBondContact O-CB 3.41Å; E453-R456 PolarHBondContact O-N 3.02Å; L454-R456 VanDerWaalsContact C-N 3.34Å; R456-E460 IonicContact CZ-OE1 2.67Å; R456-E460 IonicContact CZ-OE2 2.94Å; R456-E460 IonicContact NH1-OE1 2.93Å; R456-E460 PolarHBondContact NH1-OE1 2.84Å; R456-E460 VanDerWaalsContact NH2-CD 3.31Å; R456-E460 IonicContact NH2-OE1 3.97Å; R456-E460 PolarHBondContact NH2-OE1 3.37Å; R456-E460 IonicContact NH2-OE2 2.74Å; R456-E460 PolarHBondContact NH2-OE2 3.46Å; R456-E460 WeakPolarHBondContact O-CG 3.34Å; R456-E460 PolarHBondContact O-N 3.38Å; R456-E460 VanDerWaalsContact O-N 3.09Å |
| 457 | K | 98.1 | Very high | 98 | Very high | 119 Ų | 119 | 103.1 Ų | 103.1 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.5 | -33.1 | 176.5 | -79.4 | -77.1 | 164.8 | -156.3 | 0 | 114 | E453 L454 Q455 E460 A461 | E453-K457 WeakPolarHBondContact O-CB 3.49Å; E453-K457 WeakPolarHBondContact O-CG 3.3Å; E453-K457 PolarHBondContact O-N 3.21Å; L454-K457 PolarHBondContact O-N 3.28Å; Q455-K457 VanDerWaalsContact C-N 3.25Å; Q455-K457 PolarHBondContact O-N 2.96Å; K457-E460 VanDerWaalsContact CD-OE2 3.3Å; K457-E460 WeakPolarHBondContact CD-OE2 3.27Å; K457-E460 VanDerWaalsContact CE-OE2 3.23Å; K457-E460 WeakPolarHBondContact CE-OE2 3.47Å; K457-E460 IonicContact NZ-OE2 2.68Å; K457-E460 PolarHBondContact NZ-OE2 2.84Å; K457-A461 WeakPolarHBondContact O-CB 3.42Å; K457-A461 PolarHBondContact O-N 2.8Å; K457-A461 VanDerWaalsContact O-N 3.08Å |
| 458 | K | 98.1 | Very high | 98 | Very high | 85 Ų | 85 | 100.7 Ų | 100.7 | 37% | 0.37 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.7 | -49.1 | 171 | -67.8 | 173.9 | -163.6 | 163.2 | 0 | 110.7 | L454 Q455 E460 A461 E462 | L454-K458 WeakPolarHBondContact O-CG 3.17Å; L454-K458 PolarHBondContact O-N 2.92Å; Q455-K458 PolarHBondContact O-N 2.89Å; Q455-K458 VanDerWaalsContact O-N 3.12Å; K458-E460 VanDerWaalsContact C-N 3.33Å; K458-E460 PolarHBondContact O-N 3.16Å; K458-A461 CarbonylContact O-C 3.59Å; K458-A461 WeakPolarHBondContact O-CA 3.34Å; K458-A461 WeakPolarHBondContact O-CB 3.44Å; K458-A461 PolarHBondContact O-N 3.07Å; K458-E462 WeakPolarHBondContact O-CG 3.49Å; K458-E462 PolarHBondContact O-N 2.77Å |
| 459 | N | 98.1 | Very high | 97.9 | Very high | 102 Ų | 102 | 99.1 Ų | 99.1 | 55% | 0.545 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 179.9 | -59.6 | 8.4 | 0 | 0 | 0 | 111.7 | Q455 E462 L463 | Q455-N459 VanDerWaalsContact O-CG 3.31Å; Q455-N459 PolarHBondContact O-N 3.2Å; Q455-N459 PolarHBondContact O-OD1 3.09Å; Q455-N459 VanDerWaalsContact O-OD1 3.07Å; N459-E462 PolarHBondContact O-N 3.45Å; N459-L463 PolarHBondContact O-N 2.99Å; N459-L463 VanDerWaalsContact O-N 3.08Å |
| 460 | E | 97.9 | Very high | 97.8 | Very high | 65 Ų | 65 | 99.9 Ų | 99.9 | 30% | 0.304 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 170.7 | -79.1 | -179.2 | 160.6 | 0 | 0 | 112.2 | R456 K457 K458 L464 | R456-E460 IonicContact CZ-OE1 2.67Å; R456-E460 IonicContact CZ-OE2 2.94Å; R456-E460 IonicContact NH1-OE1 2.93Å; R456-E460 PolarHBondContact NH1-OE1 2.84Å; R456-E460 VanDerWaalsContact NH2-CD 3.31Å; R456-E460 IonicContact NH2-OE1 3.97Å; R456-E460 PolarHBondContact NH2-OE1 3.37Å; R456-E460 IonicContact NH2-OE2 2.74Å; R456-E460 PolarHBondContact NH2-OE2 3.46Å; R456-E460 WeakPolarHBondContact O-CG 3.34Å; R456-E460 PolarHBondContact O-N 3.38Å; R456-E460 VanDerWaalsContact O-N 3.09Å; K457-E460 VanDerWaalsContact CD-OE2 3.3Å; K457-E460 WeakPolarHBondContact CD-OE2 3.27Å; K457-E460 VanDerWaalsContact CE-OE2 3.23Å; K457-E460 WeakPolarHBondContact CE-OE2 3.47Å; K457-E460 IonicContact NZ-OE2 2.68Å; K457-E460 PolarHBondContact NZ-OE2 2.84Å; K458-E460 VanDerWaalsContact C-N 3.33Å; K458-E460 PolarHBondContact O-N 3.16Å; E460-L464 WeakPolarHBondContact O-CB 3.34Å; E460-L464 VanDerWaalsContact O-CG 3.25Å; E460-L464 WeakPolarHBondContact O-CG 3.48Å; E460-L464 PolarHBondContact O-N 3.1Å; E460-L464 VanDerWaalsContact O-N 3.07Å |
| 461 | A | 97.1 | Very high | 97.7 | Very high | 38 Ų | 38 | 99.9 Ų | 99.9 | 31% | 0.314 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.9 | -32.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | K457 K458 R465 | K457-A461 WeakPolarHBondContact O-CB 3.42Å; K457-A461 PolarHBondContact O-N 2.8Å; K457-A461 VanDerWaalsContact O-N 3.08Å; K458-A461 CarbonylContact O-C 3.59Å; K458-A461 WeakPolarHBondContact O-CA 3.34Å; K458-A461 WeakPolarHBondContact O-CB 3.44Å; K458-A461 PolarHBondContact O-N 3.07Å; A461-R465 VanDerWaalsContact O-CG 3.31Å; A461-R465 WeakPolarHBondContact O-CG 3.3Å; A461-R465 PolarHBondContact O-N 3.29Å |
| 462 | E | 97.9 | Very high | 97.6 | Very high | 94 Ų | 94 | 99 Ų | 99 | 44% | 0.439 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.9 | -48.4 | 176.1 | -75.7 | 164.5 | -171.2 | 0 | 0 | 111.2 | K458 N459 L464 R465 E466 | K458-E462 WeakPolarHBondContact O-CG 3.49Å; K458-E462 PolarHBondContact O-N 2.77Å; N459-E462 PolarHBondContact O-N 3.45Å; E462-L464 PolarHBondContact O-N 3.4Å; E462-R465 WeakPolarHBondContact O-CB 3.28Å; E462-R465 PolarHBondContact O-N 3.35Å; E462-E466 PolarHBondContact O-N 2.93Å |
| 463 | L | 98.1 | Very high | 97.5 | Very high | 114 Ų | 114 | 98.6 Ų | 98.6 | 60% | 0.597 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -59.3 | -35.2 | 173.1 | -178.3 | 64.1 | 0 | 0 | 0 | 112.5 | N459 K467 | N459-L463 PolarHBondContact O-N 2.99Å; N459-L463 VanDerWaalsContact O-N 3.08Å; L463-K467 WeakPolarHBondContact O-CB 3.38Å; L463-K467 PolarHBondContact O-N 3.31Å |
| 464 | L | 97.8 | Very high | 97.3 | Very high | 110 Ų | 110 | 97.9 Ų | 97.9 | 58% | 0.576 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -68.6 | -37.1 | 173.8 | -75.2 | 170.7 | 0 | 0 | 0 | 112.6 | E460 E462 K467 V468 | E460-L464 WeakPolarHBondContact O-CB 3.34Å; E460-L464 VanDerWaalsContact O-CG 3.25Å; E460-L464 WeakPolarHBondContact O-CG 3.48Å; E460-L464 PolarHBondContact O-N 3.1Å; E460-L464 VanDerWaalsContact O-N 3.07Å; E462-L464 PolarHBondContact O-N 3.4Å; L464-K467 PolarHBondContact O-N 3.45Å; L464-V468 VanDerWaalsContact O-CG2 3.32Å; L464-V468 WeakPolarHBondContact O-CG2 3.42Å; L464-V468 PolarHBondContact O-N 2.9Å |
| 465 | R | 98.1 | Very high | 97.1 | Very high | 154 Ų | 154 | 97.1 Ų | 97.1 | 58% | 0.581 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 172.4 | -70.9 | 165.1 | -174 | 155.9 | 0.6 | 111.4 | A461 E462 K467 V468 N469 | A461-R465 VanDerWaalsContact O-CG 3.31Å; A461-R465 WeakPolarHBondContact O-CG 3.3Å; A461-R465 PolarHBondContact O-N 3.29Å; E462-R465 WeakPolarHBondContact O-CB 3.28Å; E462-R465 PolarHBondContact O-N 3.35Å; R465-K467 VanDerWaalsContact C-N 3.33Å; R465-K467 PolarHBondContact O-N 3.03Å; R465-V468 PolarHBondContact O-N 3.02Å; R465-N469 PolarHBondContact O-N 2.99Å; R465-N469 PolarHBondContact O-ND2 3.49Å; R465-N469 PolarHBondContact O-OD1 3.01Å |
| 466 | E | 97.4 | Very high | 96.8 | Very high | 116 Ų | 116 | 99.5 Ų | 99.5 | 54% | 0.542 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.2 | -45.7 | 175.7 | -69.6 | 178 | 163 | 0 | 0 | 111.4 | E462 V468 N469 L470 | E462-E466 PolarHBondContact O-N 2.93Å; E466-V468 PolarHBondContact O-N 3.3Å; E466-N469 PolarHBondContact O-N 3.01Å; E466-L470 WeakPolarHBondContact O-CG 3.49Å; E466-L470 PolarHBondContact O-N 2.8Å |
| 467 | K | 97.5 | Very high | 96.4 | Very high | 125 Ų | 125 | 99.3 Ų | 99.3 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -38.7 | 175.2 | -174.3 | 174.7 | 179.7 | 178.8 | 0 | 112.8 | L463 L464 R465 L470 L471 | L463-K467 WeakPolarHBondContact O-CB 3.38Å; L463-K467 PolarHBondContact O-N 3.31Å; L464-K467 PolarHBondContact O-N 3.45Å; R465-K467 VanDerWaalsContact C-N 3.33Å; R465-K467 PolarHBondContact O-N 3.03Å; K467-L470 PolarHBondContact O-N 2.88Å; K467-L471 HydrophobicContact CG-CD1 4.1Å; K467-L471 WeakPolarHBondContact O-CB 3.33Å; K467-L471 VanDerWaalsContact O-CG 3.3Å; K467-L471 WeakPolarHBondContact O-CG 3.49Å; K467-L471 PolarHBondContact O-N 3.27Å |
| 468 | V | 97.4 | Very high | 96 | Very high | 71 Ų | 71 | 98.2 Ų | 98.2 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.2 | -45.6 | 174.1 | 167 | 0 | 0 | 0 | 0 | 110.6 | L464 R465 E466 L470 L471 E472 | L464-V468 VanDerWaalsContact O-CG2 3.32Å; L464-V468 WeakPolarHBondContact O-CG2 3.42Å; L464-V468 PolarHBondContact O-N 2.9Å; R465-V468 PolarHBondContact O-N 3.02Å; E466-V468 PolarHBondContact O-N 3.3Å; V468-L470 VanDerWaalsContact C-N 3.31Å; V468-L470 PolarHBondContact O-N 2.9Å; V468-L471 CarbonylContact O-C 3.43Å; V468-L471 PolarHBondContact O-N 3.45Å; V468-E472 HydrophobicContact CG1-CG 4.2Å; V468-E472 WeakPolarHBondContact O-CB 3.41Å; V468-E472 WeakPolarHBondContact O-CG 3.22Å; V468-E472 PolarHBondContact O-N 2.93Å |
| 469 | N | 96.9 | Very high | 95.5 | Very high | 84 Ų | 84 | 101.7 Ų | 101.7 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 177.4 | -64.3 | -18.1 | 0 | 0 | 0 | 112.1 | R465 E466 E472 Q473 | R465-N469 PolarHBondContact O-N 2.99Å; R465-N469 PolarHBondContact O-ND2 3.49Å; R465-N469 PolarHBondContact O-OD1 3.01Å; E466-N469 PolarHBondContact O-N 3.01Å; N469-E472 PolarHBondContact O-N 3.3Å; N469-Q473 VanDerWaalsContact O-CG 3.27Å; N469-Q473 WeakPolarHBondContact O-CG 3.26Å; N469-Q473 PolarHBondContact O-N 3.47Å |
| 470 | L | 97.1 | Very high | 94.7 | Very high | 98 Ų | 98 | 99.5 Ų | 99.5 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 175.2 | -70.8 | 170.3 | 0 | 0 | 0 | 111.8 | E466 K467 V468 E472 Q473 E474 | E466-L470 WeakPolarHBondContact O-CG 3.49Å; E466-L470 PolarHBondContact O-N 2.8Å; K467-L470 PolarHBondContact O-N 2.88Å; V468-L470 VanDerWaalsContact C-N 3.31Å; V468-L470 PolarHBondContact O-N 2.9Å; L470-E472 VanDerWaalsContact C-N 3.26Å; L470-E472 PolarHBondContact O-N 3.19Å; L470-Q473 WeakPolarHBondContact O-CB 3.43Å; L470-Q473 PolarHBondContact O-N 3.35Å; L470-Q473 VanDerWaalsContact O-N 3.13Å; L470-E474 WeakPolarHBondContact O-CG 3.44Å; L470-E474 PolarHBondContact O-N 2.87Å |
| 471 | L | 96.2 | Very high | 93.9 | Very high | 76 Ų | 76 | 101.7 Ų | 101.7 | 40% | 0.398 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -31.3 | 176 | -71 | 170.1 | 0 | 0 | 0 | 112.4 | K467 V468 L475 | K467-L471 HydrophobicContact CG-CD1 4.1Å; K467-L471 WeakPolarHBondContact O-CB 3.33Å; K467-L471 VanDerWaalsContact O-CG 3.3Å; K467-L471 WeakPolarHBondContact O-CG 3.49Å; K467-L471 PolarHBondContact O-N 3.27Å; V468-L471 CarbonylContact O-C 3.43Å; V468-L471 PolarHBondContact O-N 3.45Å; L471-L475 WeakPolarHBondContact O-CB 3.47Å; L471-L475 WeakPolarHBondContact O-CD1 3.32Å; L471-L475 WeakPolarHBondContact O-CG 3.46Å; L471-L475 PolarHBondContact O-N 3.39Å |
| 472 | E | 96.1 | Very high | 92.7 | Very high | 96 Ų | 96 | 102.2 Ų | 102.2 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -71.5 | -34.3 | 173.5 | -76.7 | -176.8 | 178 | 0 | 0 | 112.4 | V468 N469 L470 Q476 | V468-E472 HydrophobicContact CG1-CG 4.2Å; V468-E472 WeakPolarHBondContact O-CB 3.41Å; V468-E472 WeakPolarHBondContact O-CG 3.22Å; V468-E472 PolarHBondContact O-N 2.93Å; N469-E472 PolarHBondContact O-N 3.3Å; L470-E472 VanDerWaalsContact C-N 3.26Å; L470-E472 PolarHBondContact O-N 3.19Å; E472-Q476 WeakPolarHBondContact O-CB 3.49Å; E472-Q476 WeakPolarHBondContact O-CG 3.39Å; E472-Q476 PolarHBondContact O-N 2.9Å; E472-Q476 PolarHBondContact O-NE2 2.95Å |
| 473 | Q | 95.7 | Very high | 91.2 | Very high | 106 Ų | 106 | 101.5 Ų | 101.5 | 50% | 0.495 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.6 | -50.3 | 171.2 | -71.5 | 163.8 | 13.4 | 0 | 0 | 110.8 | N469 L470 L475 Q476 E477 | N469-Q473 VanDerWaalsContact O-CG 3.27Å; N469-Q473 WeakPolarHBondContact O-CG 3.26Å; N469-Q473 PolarHBondContact O-N 3.47Å; L470-Q473 WeakPolarHBondContact O-CB 3.43Å; L470-Q473 PolarHBondContact O-N 3.35Å; L470-Q473 VanDerWaalsContact O-N 3.13Å; Q473-L475 VanDerWaalsContact C-N 3.28Å; Q473-L475 PolarHBondContact O-N 2.89Å; Q473-Q476 WeakPolarHBondContact O-CA 3.44Å; Q473-Q476 WeakPolarHBondContact O-CB 3.43Å; Q473-Q476 PolarHBondContact O-N 3.4Å; Q473-E477 PolarHBondContact O-N 3.49Å |
| 474 | E | 94.4 | Very high | 89.5 | Confident | 105 Ų | 105 | 103.7 Ų | 103.7 | 49% | 0.491 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -55.5 | -42.7 | 173.2 | -70.9 | 175.6 | -169.6 | 0 | 0 | 111.4 | L470 Q476 E477 L478 | L470-E474 WeakPolarHBondContact O-CG 3.44Å; L470-E474 PolarHBondContact O-N 2.87Å; E474-Q476 VanDerWaalsContact C-N 3.35Å; E474-Q476 PolarHBondContact O-N 3.37Å; E474-E477 PolarHBondContact O-N 3.12Å; E474-L478 VanDerWaalsContact O-CB 3.28Å; E474-L478 WeakPolarHBondContact O-CB 3.49Å; E474-L478 VanDerWaalsContact O-CG 3.22Å; E474-L478 WeakPolarHBondContact O-CG 3.46Å; E474-L478 PolarHBondContact O-N 3.05Å |
| 475 | L | 92.4 | Very high | 87.7 | Confident | 82 Ų | 82 | 102.3 Ų | 102.3 | 43% | 0.429 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.3 | -27.1 | 175 | -77.2 | 170.7 | 0 | 0 | 0 | 113.4 | L471 Q473 R479 | L471-L475 WeakPolarHBondContact O-CB 3.47Å; L471-L475 WeakPolarHBondContact O-CD1 3.32Å; L471-L475 WeakPolarHBondContact O-CG 3.46Å; L471-L475 PolarHBondContact O-N 3.39Å; Q473-L475 VanDerWaalsContact C-N 3.28Å; Q473-L475 PolarHBondContact O-N 2.89Å; L475-R479 WeakPolarHBondContact O-CB 3.4Å; L475-R479 WeakPolarHBondContact O-CD 3.5Å; L475-R479 WeakPolarHBondContact O-CG 3.48Å; L475-R479 PolarHBondContact O-N 3Å |
| 476 | Q | 92.1 | Very high | 85.4 | Confident | 121 Ų | 121 | 104.7 Ų | 104.7 | 57% | 0.565 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.8 | -42.5 | 172.6 | -77.7 | 168.1 | 44.8 | 0 | 0 | 111 | E472 Q473 E474 R479 A480 | E472-Q476 WeakPolarHBondContact O-CB 3.49Å; E472-Q476 WeakPolarHBondContact O-CG 3.39Å; E472-Q476 PolarHBondContact O-N 2.9Å; E472-Q476 PolarHBondContact O-NE2 2.95Å; Q473-Q476 WeakPolarHBondContact O-CA 3.44Å; Q473-Q476 WeakPolarHBondContact O-CB 3.43Å; Q473-Q476 PolarHBondContact O-N 3.4Å; E474-Q476 VanDerWaalsContact C-N 3.35Å; E474-Q476 PolarHBondContact O-N 3.37Å; Q476-R479 PolarHBondContact O-N 2.85Å; Q476-A480 WeakPolarHBondContact O-CB 3.27Å; Q476-A480 PolarHBondContact O-N 2.94Å |
| 477 | E | 89.8 | Confident | 82.9 | Confident | 125 Ų | 125 | 105.5 Ų | 105.5 | 58% | 0.584 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.2 | -48.8 | 173.1 | -68.9 | -176.8 | -175.9 | 0 | 0 | 111.5 | Q473 E474 R479 A480 Q481 | Q473-E477 PolarHBondContact O-N 3.49Å; E474-E477 PolarHBondContact O-N 3.12Å; E477-R479 VanDerWaalsContact C-N 3.3Å; E477-R479 PolarHBondContact O-N 3.2Å; E477-A480 PolarHBondContact O-N 3.39Å; E477-A480 VanDerWaalsContact O-N 3.16Å; E477-Q481 VanDerWaalsContact O-CG 3.25Å; E477-Q481 WeakPolarHBondContact O-CG 3.44Å; E477-Q481 PolarHBondContact O-N 3.09Å; E477-Q481 PolarHBondContact O-NE2 3.08Å |
| 478 | L | 89.3 | Confident | 80.4 | Confident | 96 Ų | 96 | 106.1 Ų | 106.1 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.1 | -33 | 175.7 | -71.3 | 170.1 | 0 | 0 | 0 | 112.2 | E474 A482 | E474-L478 VanDerWaalsContact O-CB 3.28Å; E474-L478 WeakPolarHBondContact O-CB 3.49Å; E474-L478 VanDerWaalsContact O-CG 3.22Å; E474-L478 WeakPolarHBondContact O-CG 3.46Å; E474-L478 PolarHBondContact O-N 3.05Å; L478-A482 WeakPolarHBondContact O-CB 3.36Å; L478-A482 PolarHBondContact O-N 2.92Å |
| 479 | R | 87.6 | Confident | 77.8 | Confident | 158 Ų | 158 | 109 Ų | 109 | 60% | 0.596 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.3 | -35.4 | 171.7 | -80.8 | 170.4 | -176.2 | 136.6 | -2.9 | 112.7 | L475 Q476 E477 A482 A483 | L475-R479 WeakPolarHBondContact O-CB 3.4Å; L475-R479 WeakPolarHBondContact O-CD 3.5Å; L475-R479 WeakPolarHBondContact O-CG 3.48Å; L475-R479 PolarHBondContact O-N 3Å; Q476-R479 PolarHBondContact O-N 2.85Å; E477-R479 VanDerWaalsContact C-N 3.3Å; E477-R479 PolarHBondContact O-N 3.2Å; R479-A482 PolarHBondContact O-N 3.27Å; R479-A483 WeakPolarHBondContact O-CB 3.47Å; R479-A483 PolarHBondContact O-N 2.69Å |
| 480 | A | 82.9 | Confident | 75.4 | Confident | 55 Ų | 55 | 110.2 Ų | 110.2 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.6 | -44.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q476 E477 A482 A483 L484 | Q476-A480 WeakPolarHBondContact O-CB 3.27Å; Q476-A480 PolarHBondContact O-N 2.94Å; E477-A480 PolarHBondContact O-N 3.39Å; E477-A480 VanDerWaalsContact O-N 3.16Å; A480-A482 VanDerWaalsContact C-N 3.34Å; A480-A482 PolarHBondContact O-N 2.96Å; A480-A483 PolarHBondContact O-N 3.45Å; A480-L484 WeakPolarHBondContact O-CG 3.22Å; A480-L484 PolarHBondContact O-N 3.08Å |
| 481 | Q | 79.4 | Confident | 73.1 | Confident | 111 Ų | 111 | 111.1 Ų | 111.1 | 52% | 0.519 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.9 | -39.8 | 172.6 | -66.4 | 166.2 | 43.7 | 0 | 0 | 112 | E477 A485 | E477-Q481 VanDerWaalsContact O-CG 3.25Å; E477-Q481 WeakPolarHBondContact O-CG 3.44Å; E477-Q481 PolarHBondContact O-N 3.09Å; E477-Q481 PolarHBondContact O-NE2 3.08Å; Q481-A485 WeakPolarHBondContact O-CB 3.42Å; Q481-A485 PolarHBondContact O-N 2.98Å |
| 482 | A | 72.3 | Confident | 70.8 | Confident | 50 Ų | 50 | 114.1 Ų | 114.1 | 41% | 0.413 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -74.7 | -33.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L478 R479 A480 L484 A485 R486 | L478-A482 WeakPolarHBondContact O-CB 3.36Å; L478-A482 PolarHBondContact O-N 2.92Å; R479-A482 PolarHBondContact O-N 3.27Å; A480-A482 VanDerWaalsContact C-N 3.34Å; A480-A482 PolarHBondContact O-N 2.96Å; A482-L484 VanDerWaalsContact C-N 3.31Å; A482-A485 CarbonylContact O-C 3.56Å; A482-A485 WeakPolarHBondContact O-CA 3.33Å; A482-A485 PolarHBondContact O-N 2.62Å; A482-R486 PolarHBondContact O-N 3.18Å |
| 483 | A | 67.6 | Low | 68.8 | Low | 78 Ų | 78 | 118.8 Ų | 118.8 | 65% | 0.645 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.3 | -30.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | R479 A480 A485 | R479-A483 WeakPolarHBondContact O-CB 3.47Å; R479-A483 PolarHBondContact O-N 2.69Å; A480-A483 PolarHBondContact O-N 3.45Å; A483-A485 PolarHBondContact O-N 3.35Å |
| 484 | L | 62.5 | Low | 66.9 | Low | 160 Ų | 160 | 118.7 Ų | 118.7 | 84% | 0.838 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -15.9 | 166.4 | -69.8 | 167.9 | 0 | 0 | 0 | 113.2 | A480 A482 | A480-L484 WeakPolarHBondContact O-CG 3.22Å; A480-L484 PolarHBondContact O-N 3.08Å; A482-L484 VanDerWaalsContact C-N 3.31Å |
| 485 | A | 58.9 | Low | 65.1 | Low | 81 Ų | 81 | 122.5 Ų | 122.5 | 67% | 0.669 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | -13.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q481 A482 A483 | Q481-A485 WeakPolarHBondContact O-CB 3.42Å; Q481-A485 PolarHBondContact O-N 2.98Å; A482-A485 CarbonylContact O-C 3.56Å; A482-A485 WeakPolarHBondContact O-CA 3.33Å; A482-A485 PolarHBondContact O-N 2.62Å; A483-A485 PolarHBondContact O-N 3.35Å |
| 486 | R | 49 | Very low | 63.5 | Low | 205 Ų | 205 | 124 Ų | 124 | 77% | 0.774 | 67% | 0.67 | S | S | * | * | trans | -149.4 | 113.2 | -173.4 | -124.9 | -169.9 | 168.9 | 164.8 | -1.6 | 115.9 | A482 | A482-R486 PolarHBondContact O-N 3.18Š| ||
| 487 | D | 46.3 | Very low | 62.2 | Low | 133 Ų | 133 | 122.5 Ų | 122.5 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | trans | -78.6 | 166.2 | 148.3 | -155.7 | -10.4 | 0 | 0 | 0 | 110.1 | ||||
| 488 | M | 44.8 | Very low | 61.3 | Low | 138 Ų | 138 | 119.9 Ų | 119.9 | 68% | 0.68 | 66% | 0.662 | S | S | * | * | trans | 83 | 136.8 | 171.7 | -52.6 | -70.9 | 100.8 | 0 | 0 | 121.2 | ||||
| 489 | V | 42.6 | Very low | 60.4 | Low | 131 Ų | 131 | 117.6 Ų | 117.6 | 79% | 0.794 | 66% | 0.657 | S | S | * | * | trans | 87.7 | 117.5 | 161 | -165 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 490 | P | 46.7 | Very low | 59.9 | Low | 109 Ų | 109 | 115.4 Ų | 115.4 | 71% | 0.708 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 164.3 | 171.7 | 37.8 | -35.3 | 0 | 0 | 0 | 113.8 | ||
| 491 | P | 48.9 | Very low | 59.6 | Low | 118 Ų | 118 | 117.9 Ų | 117.9 | 77% | 0.766 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 155.8 | -178.3 | 34.6 | -36.3 | 0 | 0 | 0 | 114.5 | ||
| 492 | T | 48 | Very low | 59.7 | Low | 139 Ų | 139 | 120.2 Ų | 120.2 | 85% | 0.853 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 153.4 | 172.6 | 42.7 | 0 | 0 | 0 | 0 | 112.5 | ||
| 493 | F | 53.4 | Low | 60.3 | Low | 194 Ų | 194 | 121.9 Ų | 121.9 | 85% | 0.851 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 141.6 | 175.5 | -66.4 | -89 | 0 | 0 | 0 | 111.2 | ||
| 494 | P | 56.4 | Low | 61 | Low | 104 Ų | 104 | 122.6 Ų | 122.6 | 68% | 0.675 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 155.1 | 175.8 | -11.8 | 29.1 | 0 | 0 | 0 | 114 | ||
| 495 | E | 55.9 | Low | 62.1 | Low | 184 Ų | 184 | 120.6 Ų | 120.6 | 86% | 0.86 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -89.4 | 6.1 | -169.4 | -62.3 | -173.7 | 105.8 | 0 | 0 | 115.8 | V497 P498 | E495-V497 VanDerWaalsContact C-N 3.29Å; E495-V497 PolarHBondContact O-N 2.96Å; E495-P498 WeakPolarHBondContact O-CD 3.35Å |
| 496 | D | 59.7 | Low | 63.7 | Low | 115 Ų | 115 | 122.4 Ų | 122.4 | 62% | 0.615 | 63% | 0.631 | S | S | * | * | trans | -73.2 | -10.1 | -166.6 | -63.3 | -60.1 | 0 | 0 | 0 | 116.3 | A499 L500 | D496-A499 PolarHBondContact O-N 3.42Å; D496-L500 PolarHBondContact O-N 2.87Å | ||
| 497 | V | 63.6 | Low | 65.5 | Low | 89 Ų | 89 | 116.7 Ų | 116.7 | 54% | 0.539 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -54.2 | -45.1 | -175 | -175.8 | 0 | 0 | 0 | 0 | 114.1 | E495 A499 L500 Q501 | E495-V497 VanDerWaalsContact C-N 3.29Å; E495-V497 PolarHBondContact O-N 2.96Å; V497-A499 VanDerWaalsContact C-N 3.29Å; V497-A499 PolarHBondContact O-N 3.23Å; V497-L500 PolarHBondContact O-N 3.29Å; V497-Q501 WeakPolarHBondContact O-CG 3.36Å; V497-Q501 PolarHBondContact O-N 2.92Å; V497-Q501 VanDerWaalsContact O-N 3.16Å |
| 498 | P | 71.3 | Confident | 67.6 | Low | 69 Ų | 69 | 117.6 Ų | 117.6 | 45% | 0.448 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72 | -19 | -176 | -17.8 | 33.6 | 0 | 0 | 0 | 114.1 | E495 R502 | E495-P498 WeakPolarHBondContact O-CD 3.35Å; P498-R502 VanDerWaalsContact O-CZ 3.28Å; P498-R502 PolarHBondContact O-NE 3.12Å; P498-R502 VanDerWaalsContact O-NE 3.15Å; P498-R502 PolarHBondContact O-NH2 3.35Å |
| 499 | A | 71.7 | Confident | 69.8 | Low | 48 Ų | 48 | 112.4 Ų | 112.4 | 40% | 0.397 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -75.4 | -48.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | D496 V497 Q501 R502 E503 | D496-A499 PolarHBondContact O-N 3.42Å; V497-A499 VanDerWaalsContact C-N 3.29Å; V497-A499 PolarHBondContact O-N 3.23Å; A499-Q501 VanDerWaalsContact C-N 3.27Å; A499-Q501 PolarHBondContact O-N 3.42Å; A499-R502 PolarHBondContact O-N 3.28Å; A499-E503 PolarHBondContact O-N 3.47Å; A499-E503 VanDerWaalsContact O-N 3.13Å |
| 500 | L | 75.3 | Confident | 72 | Confident | 113 Ų | 113 | 109.9 Ų | 109.9 | 59% | 0.592 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -61.9 | -33.2 | 177.6 | -64.8 | 171.3 | 0 | 0 | 0 | 112.5 | D496 V497 E503 L504 | D496-L500 PolarHBondContact O-N 2.87Å; V497-L500 PolarHBondContact O-N 3.29Å; L500-E503 PolarHBondContact O-N 2.88Å; L500-L504 WeakPolarHBondContact O-CB 3.44Å; L500-L504 VanDerWaalsContact O-CG 3.3Å; L500-L504 WeakPolarHBondContact O-CG 3.31Å; L500-L504 PolarHBondContact O-N 2.94Å |
| 501 | Q | 77.3 | Confident | 74.1 | Confident | 107 Ų | 107 | 109.1 Ų | 109.1 | 50% | 0.5 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.3 | -46.2 | 174.2 | -76.3 | 174.5 | -22.3 | 0 | 0 | 112.7 | V497 A499 E503 L504 E505 | V497-Q501 WeakPolarHBondContact O-CG 3.36Å; V497-Q501 PolarHBondContact O-N 2.92Å; V497-Q501 VanDerWaalsContact O-N 3.16Å; A499-Q501 VanDerWaalsContact C-N 3.27Å; A499-Q501 PolarHBondContact O-N 3.42Å; Q501-E503 PolarHBondContact O-N 3.03Å; Q501-L504 PolarHBondContact O-N 3.35Å; Q501-E505 WeakPolarHBondContact O-CG 3.41Å; Q501-E505 PolarHBondContact O-N 3.43Å |
| 502 | R | 82.3 | Confident | 76.2 | Confident | 159 Ų | 159 | 110.9 Ų | 110.9 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.1 | -38 | 176.8 | -80.1 | 176 | -82.8 | 108.9 | -6.8 | 112.5 | P498 A499 E505 R506 | P498-R502 VanDerWaalsContact O-CZ 3.28Å; P498-R502 PolarHBondContact O-NE 3.12Å; P498-R502 VanDerWaalsContact O-NE 3.15Å; P498-R502 PolarHBondContact O-NH2 3.35Å; A499-R502 PolarHBondContact O-N 3.28Å; R502-E505 PolarHBondContact O-N 2.84Å; R502-R506 PolarHBondContact O-N 3.03Å |
| 503 | E | 83.1 | Confident | 78.2 | Confident | 86 Ų | 86 | 110.7 Ų | 110.7 | 40% | 0.402 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 175.4 | -155.3 | 63.3 | -127.9 | 0 | 0 | 111.6 | A499 L500 Q501 E505 R506 L507 | A499-E503 PolarHBondContact O-N 3.47Å; A499-E503 VanDerWaalsContact O-N 3.13Å; L500-E503 PolarHBondContact O-N 2.88Å; Q501-E503 PolarHBondContact O-N 3.03Å; E503-E505 VanDerWaalsContact C-N 3.34Å; E503-E505 PolarHBondContact O-N 3.17Å; E503-R506 PolarHBondContact O-N 3.02Å; E503-R506 IonicContact OE1-CZ 3.2Å; E503-R506 IonicContact OE1-NE 2.62Å; E503-R506 PolarHBondContact OE1-NE 3.28Å; E503-R506 IonicContact OE1-NH2 2.68Å; E503-R506 PolarHBondContact OE1-NH2 3.01Å; E503-L507 WeakPolarHBondContact O-CG 3.47Å; E503-L507 PolarHBondContact O-N 3.44Å |
| 504 | L | 82.3 | Confident | 80 | Confident | 92 Ų | 92 | 108.5 Ų | 108.5 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.4 | -35.4 | 173.9 | -75.5 | 168.4 | 0 | 0 | 0 | 112.7 | L500 Q501 R508 | L500-L504 WeakPolarHBondContact O-CB 3.44Å; L500-L504 VanDerWaalsContact O-CG 3.3Å; L500-L504 WeakPolarHBondContact O-CG 3.31Å; L500-L504 PolarHBondContact O-N 2.94Å; Q501-L504 PolarHBondContact O-N 3.35Å; L504-R508 VanDerWaalsContact O-CB 3.26Å; L504-R508 WeakPolarHBondContact O-CB 3.25Å; L504-R508 VanDerWaalsContact O-CD 3.32Å; L504-R508 WeakPolarHBondContact O-CD 3.23Å; L504-R508 WeakPolarHBondContact O-CG 3.44Å; L504-R508 PolarHBondContact O-N 3.08Å |
| 505 | E | 86.8 | Confident | 81.7 | Confident | 119 Ų | 119 | 111 Ų | 111 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -70.2 | -38.6 | 176.1 | -74.3 | 177.9 | 168.6 | 0 | 0 | 112.5 | Q501 R502 E503 R508 A509 | Q501-E505 WeakPolarHBondContact O-CG 3.41Å; Q501-E505 PolarHBondContact O-N 3.43Å; R502-E505 PolarHBondContact O-N 2.84Å; E503-E505 VanDerWaalsContact C-N 3.34Å; E503-E505 PolarHBondContact O-N 3.17Å; E505-R508 PolarHBondContact O-N 3Å; E505-A509 PolarHBondContact O-N 3.44Å; E505-A509 VanDerWaalsContact O-N 3.08Å |
| 506 | R | 91.7 | Very high | 83.5 | Confident | 119 Ų | 119 | 108 Ų | 108 | 45% | 0.449 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.7 | -53.4 | 170.6 | -176.5 | 179.9 | 74.4 | 83.6 | -1.8 | 111.4 | R502 E503 R508 A509 E510 | R502-R506 PolarHBondContact O-N 3.03Å; E503-R506 PolarHBondContact O-N 3.02Å; E503-R506 IonicContact OE1-CZ 3.2Å; E503-R506 IonicContact OE1-NE 2.62Å; E503-R506 PolarHBondContact OE1-NE 3.28Å; E503-R506 IonicContact OE1-NH2 2.68Å; E503-R506 PolarHBondContact OE1-NH2 3.01Å; R506-R508 PolarHBondContact O-N 3.07Å; R506-A509 WeakPolarHBondContact O-CA 3.3Å; R506-A509 WeakPolarHBondContact O-CB 3.24Å; R506-A509 PolarHBondContact O-N 2.67Å; R506-E510 WeakPolarHBondContact CG-OE1 3.45Å; R506-E510 IonicContact CZ-OE1 2.73Å; R506-E510 IonicContact CZ-OE2 3.96Å; R506-E510 IonicContact NE-OE1 2.69Å; R506-E510 IonicContact NH1-OE1 2.65Å; R506-E510 PolarHBondContact NH1-OE1 2.68Å; R506-E510 IonicContact NH1-OE2 2.83Å; R506-E510 PolarHBondContact NH1-OE2 2.94Å; R506-E510 PolarHBondContact O-N 2.83Å |
| 507 | L | 88.4 | Confident | 85.1 | Confident | 85 Ų | 85 | 104.2 Ų | 104.2 | 45% | 0.445 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -30.9 | 179.1 | -67.9 | 169.8 | 0 | 0 | 0 | 112.5 | E503 A509 L511 | E503-L507 WeakPolarHBondContact O-CG 3.47Å; E503-L507 PolarHBondContact O-N 3.44Å; L507-A509 VanDerWaalsContact C-N 3.31Å; L507-L511 VanDerWaalsContact O-CB 3.24Å; L507-L511 WeakPolarHBondContact O-CB 3.42Å; L507-L511 PolarHBondContact O-N 2.74Å |
| 508 | R | 89.6 | Confident | 86.4 | Confident | 151 Ų | 151 | 106 Ų | 106 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -71.1 | -21.2 | 170.9 | -77.4 | 166.5 | 178.9 | 173.9 | -0.5 | 113.5 | L504 E505 R506 R512 | L504-R508 VanDerWaalsContact O-CB 3.26Å; L504-R508 WeakPolarHBondContact O-CB 3.25Å; L504-R508 VanDerWaalsContact O-CD 3.32Å; L504-R508 WeakPolarHBondContact O-CD 3.23Å; L504-R508 WeakPolarHBondContact O-CG 3.44Å; L504-R508 PolarHBondContact O-N 3.08Å; E505-R508 PolarHBondContact O-N 3Å; R506-R508 PolarHBondContact O-N 3.07Å; R508-R512 WeakPolarHBondContact O-CG 3.4Å; R508-R512 PolarHBondContact O-NE 3.27Å; R508-R512 PolarHBondContact O-NH2 3.03Å |
| 509 | A | 90.4 | Very high | 87.4 | Confident | 29 Ų | 29 | 107.7 Ų | 107.7 | 24% | 0.24 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -80.2 | -50.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E505 R506 L507 L511 R512 E513 | E505-A509 PolarHBondContact O-N 3.44Å; E505-A509 VanDerWaalsContact O-N 3.08Å; R506-A509 WeakPolarHBondContact O-CA 3.3Å; R506-A509 WeakPolarHBondContact O-CB 3.24Å; R506-A509 PolarHBondContact O-N 2.67Å; L507-A509 VanDerWaalsContact C-N 3.31Å; A509-L511 VanDerWaalsContact C-N 3.31Å; A509-L511 PolarHBondContact O-N 3.24Å; A509-R512 VanDerWaalsContact CA-NH2 3.3Å; A509-R512 WeakPolarHBondContact O-CA 3.46Å; A509-R512 WeakPolarHBondContact O-CB 3.38Å; A509-R512 PolarHBondContact O-N 3.45Å; A509-E513 PolarHBondContact O-N 3.26Å |
| 510 | E | 89.1 | Confident | 88.5 | Confident | 79 Ų | 79 | 111 Ų | 111 | 37% | 0.369 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57 | -43.5 | 176.7 | -71.6 | 160.4 | -162.6 | 0 | 0 | 111.3 | R506 R512 E513 E514 | R506-E510 WeakPolarHBondContact CG-OE1 3.45Å; R506-E510 IonicContact CZ-OE1 2.73Å; R506-E510 IonicContact CZ-OE2 3.96Å; R506-E510 IonicContact NE-OE1 2.69Å; R506-E510 IonicContact NH1-OE1 2.65Å; R506-E510 PolarHBondContact NH1-OE1 2.68Å; R506-E510 IonicContact NH1-OE2 2.83Å; R506-E510 PolarHBondContact NH1-OE2 2.94Å; R506-E510 PolarHBondContact O-N 2.83Å; E510-R512 PolarHBondContact O-N 2.92Å; E510-E513 PolarHBondContact O-N 3.37Å; E510-E514 WeakPolarHBondContact O-CB 3.17Å; E510-E514 PolarHBondContact O-N 3.03Å |
| 511 | L | 91.1 | Very high | 89.3 | Confident | 93 Ų | 93 | 111.3 Ų | 111.3 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -22.7 | 174.3 | -177.2 | 60.7 | 0 | 0 | 0 | 114 | L507 A509 R515 | L507-L511 VanDerWaalsContact O-CB 3.24Å; L507-L511 WeakPolarHBondContact O-CB 3.42Å; L507-L511 PolarHBondContact O-N 2.74Å; A509-L511 VanDerWaalsContact C-N 3.31Å; A509-L511 PolarHBondContact O-N 3.24Å; L511-R515 WeakPolarHBondContact O-CB 3.47Å; L511-R515 VanDerWaalsContact O-CD 3.27Å; L511-R515 WeakPolarHBondContact O-CD 3.45Å; L511-R515 WeakPolarHBondContact O-CG 3.48Å; L511-R515 PolarHBondContact O-N 2.99Å |
| 512 | R | 92.3 | Very high | 90 | Very high | 154 Ų | 154 | 108.2 Ų | 108.2 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -82.1 | -40.5 | 173.9 | -82 | 178 | -75.1 | 116.4 | -8.2 | 111.4 | R508 A509 E510 R515 Q516 | R508-R512 WeakPolarHBondContact O-CG 3.4Å; R508-R512 PolarHBondContact O-NE 3.27Å; R508-R512 PolarHBondContact O-NH2 3.03Å; A509-R512 VanDerWaalsContact CA-NH2 3.3Å; A509-R512 WeakPolarHBondContact O-CA 3.46Å; A509-R512 WeakPolarHBondContact O-CB 3.38Å; A509-R512 PolarHBondContact O-N 3.45Å; E510-R512 PolarHBondContact O-N 2.92Å; R512-R515 PolarHBondContact O-N 2.91Å; R512-Q516 WeakPolarHBondContact O-CB 3.45Å; R512-Q516 PolarHBondContact O-N 2.89Å |
| 513 | E | 91 | Very high | 90.5 | Very high | 135 Ų | 135 | 103.9 Ų | 103.9 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.6 | -43.8 | 176.8 | -67.9 | -178.8 | 166.1 | 0 | 0 | 111.4 | A509 E510 R515 Q516 G517 | A509-E513 PolarHBondContact O-N 3.26Å; E510-E513 PolarHBondContact O-N 3.37Å; E513-R515 VanDerWaalsContact C-N 3.35Å; E513-R515 PolarHBondContact O-N 3.31Å; E513-Q516 PolarHBondContact O-N 2.87Å; E513-G517 PolarHBondContact O-N 2.98Å |
| 514 | E | 90.6 | Very high | 91.1 | Very high | 149 Ų | 149 | 101.5 Ų | 101.5 | 70% | 0.696 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.8 | -41.3 | 173.2 | -79.4 | -66.3 | 138.9 | 0 | 0 | 112.5 | E510 G517 H518 | E510-E514 WeakPolarHBondContact O-CB 3.17Å; E510-E514 PolarHBondContact O-N 3.03Å; E514-G517 PolarHBondContact O-N 3.16Å; E514-H518 WeakPolarHBondContact O-CB 3.11Å; E514-H518 PolarHBondContact O-N 3.4Å |
| 515 | R | 91.6 | Very high | 91.7 | Very high | 156 Ų | 156 | 102.6 Ų | 102.6 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64 | -46.5 | 173.4 | -76.4 | 172 | -174.9 | -153.3 | -0.5 | 111.6 | L511 R512 E513 G517 H518 D519 | L511-R515 WeakPolarHBondContact O-CB 3.47Å; L511-R515 VanDerWaalsContact O-CD 3.27Å; L511-R515 WeakPolarHBondContact O-CD 3.45Å; L511-R515 WeakPolarHBondContact O-CG 3.48Å; L511-R515 PolarHBondContact O-N 2.99Å; R512-R515 PolarHBondContact O-N 2.91Å; E513-R515 VanDerWaalsContact C-N 3.35Å; E513-R515 PolarHBondContact O-N 3.31Å; R515-G517 VanDerWaalsContact C-N 3.29Å; R515-G517 PolarHBondContact O-N 2.93Å; R515-H518 PolarHBondContact O-N 2.88Å; R515-D519 WeakPolarHBondContact O-CB 3.25Å; R515-D519 VanDerWaalsContact O-CG 3.28Å; R515-D519 PolarHBondContact O-N 2.97Å |
| 516 | Q | 94.6 | Very high | 92.1 | Very high | 122 Ų | 122 | 102.4 Ų | 102.4 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.9 | -33.4 | 179.1 | -166.3 | -174.3 | -15.3 | 0 | 0 | 112.1 | R512 E513 Q520 | R512-Q516 WeakPolarHBondContact O-CB 3.45Å; R512-Q516 PolarHBondContact O-N 2.89Å; E513-Q516 PolarHBondContact O-N 2.87Å; Q516-Q520 WeakPolarHBondContact O-CB 3.38Å; Q516-Q520 VanDerWaalsContact O-CG 3.27Å; Q516-Q520 WeakPolarHBondContact O-CG 3.37Å; Q516-Q520 PolarHBondContact O-N 3.41Å; Q516-Q520 PolarHBondContact O-NE2 3.13Å; Q516-Q520 VanDerWaalsContact O-NE2 3.09Å |
| 517 | G | 92.5 | Very high | 92.4 | Very high | 34 Ų | 34 | 102.8 Ų | 102.8 | 35% | 0.351 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.6 | -43.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E513 E514 R515 Q520 M521 | E513-G517 PolarHBondContact O-N 2.98Å; E514-G517 PolarHBondContact O-N 3.16Å; R515-G517 VanDerWaalsContact C-N 3.29Å; R515-G517 PolarHBondContact O-N 2.93Å; G517-Q520 PolarHBondContact O-N 2.91Å; G517-M521 WeakPolarHBondContact O-CB 3.4Å; G517-M521 PolarHBondContact O-N 3Å |
| 518 | H | 92.1 | Very high | 92.8 | Very high | 127 Ų | 127 | 103.2 Ų | 103.2 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.7 | -43.9 | 173.9 | -173.5 | 78.7 | 0 | 0 | 0 | 112.3 | E514 R515 M521 S522 | E514-H518 WeakPolarHBondContact O-CB 3.11Å; E514-H518 PolarHBondContact O-N 3.4Å; R515-H518 PolarHBondContact O-N 2.88Å; H518-M521 PolarHBondContact O-N 2.88Å; H518-S522 WeakPolarHBondContact O-CB 3.45Å; H518-S522 PolarHBondContact O-N 3.35Å |
| 519 | D | 92.5 | Very high | 93 | Very high | 105 Ų | 105 | 104.5 Ų | 104.5 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.1 | -39.9 | 178.5 | -70.3 | -26.6 | 0 | 0 | 0 | 111.7 | R515 S523 | R515-D519 WeakPolarHBondContact O-CB 3.25Å; R515-D519 VanDerWaalsContact O-CG 3.28Å; R515-D519 PolarHBondContact O-N 2.97Å; D519-S523 WeakPolarHBondContact O-CB 3.47Å; D519-S523 PolarHBondContact O-N 2.78Å; D519-S523 PolarHBondContact O-OG 3.32Å |
| 520 | Q | 94.6 | Very high | 93.3 | Very high | 117 Ų | 117 | 107.6 Ų | 107.6 | 55% | 0.547 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 171.2 | -79.9 | 174 | 79.2 | 0 | 0 | 112.2 | Q516 G517 S522 S523 G524 | Q516-Q520 WeakPolarHBondContact O-CB 3.38Å; Q516-Q520 VanDerWaalsContact O-CG 3.27Å; Q516-Q520 WeakPolarHBondContact O-CG 3.37Å; Q516-Q520 PolarHBondContact O-N 3.41Å; Q516-Q520 PolarHBondContact O-NE2 3.13Å; Q516-Q520 VanDerWaalsContact O-NE2 3.09Å; G517-Q520 PolarHBondContact O-N 2.91Å; Q520-S522 VanDerWaalsContact C-N 3.35Å; Q520-S522 PolarHBondContact O-N 3.42Å; Q520-S523 PolarHBondContact O-N 3Å; Q520-S523 PolarHBondContact O-OG 3.49Å; Q520-G524 PolarHBondContact O-N 3.34Å |
| 521 | M | 91.6 | Very high | 93.7 | Very high | 119 Ų | 119 | 107.1 Ų | 107.1 | 59% | 0.586 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 178.9 | -169.2 | -176.6 | -63.7 | 0 | 0 | 111.5 | G517 H518 G524 F525 | G517-M521 WeakPolarHBondContact O-CB 3.4Å; G517-M521 PolarHBondContact O-N 3Å; H518-M521 PolarHBondContact O-N 2.88Å; M521-G524 PolarHBondContact O-N 2.93Å; M521-F525 HydrophobicContact CG-CD2 4Å; M521-F525 HydrophobicContact CG-CE2 3.55Å; M521-F525 HydrophobicContact CG-CZ 4.31Å; M521-F525 WeakPolarHBondContact O-CD2 3.27Å; M521-F525 PolarHBondContact O-N 3.32Å; M521-F525 HydrophobicContact SD-CE2 3.95Å |
| 522 | S | 91.5 | Very high | 93.9 | Very high | 43 Ų | 43 | 110.8 Ų | 110.8 | 30% | 0.301 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 174.2 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | H518 Q520 F525 Q526 | H518-S522 WeakPolarHBondContact O-CB 3.45Å; H518-S522 PolarHBondContact O-N 3.35Å; Q520-S522 VanDerWaalsContact C-N 3.35Å; Q520-S522 PolarHBondContact O-N 3.42Å; S522-F525 PolarHBondContact O-N 3.2Å; S522-Q526 WeakPolarHBondContact O-CB 3.47Å; S522-Q526 VanDerWaalsContact O-CG 3.27Å; S522-Q526 WeakPolarHBondContact O-CG 3.47Å; S522-Q526 PolarHBondContact O-N 3.4Å; S522-Q526 PolarHBondContact O-NE2 3.41Å; S522-Q526 PolarHBondContact OG-NE2 3.11Å; S522-Q526 VanDerWaalsContact OG-NE2 3.16Å |
| 523 | S | 93.6 | Very high | 94.1 | Very high | 68 Ų | 68 | 108.2 Ų | 108.2 | 48% | 0.476 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.6 | -36.5 | 176.4 | 73.8 | 0 | 0 | 0 | 0 | 112.1 | D519 Q520 Q526 H527 | D519-S523 WeakPolarHBondContact O-CB 3.47Å; D519-S523 PolarHBondContact O-N 2.78Å; D519-S523 PolarHBondContact O-OG 3.32Å; Q520-S523 PolarHBondContact O-N 3Å; Q520-S523 PolarHBondContact O-OG 3.49Å; S523-Q526 PolarHBondContact O-N 3.19Å; S523-H527 PolarHBondContact O-N 3.38Å |
| 524 | G | 95.9 | Very high | 94.3 | Very high | 36 Ų | 36 | 106.9 Ų | 106.9 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58 | -52.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q520 M521 Q526 H527 E528 | Q520-G524 PolarHBondContact O-N 3.34Å; M521-G524 PolarHBondContact O-N 2.93Å; G524-Q526 PolarHBondContact O-N 3.12Å; G524-H527 PolarHBondContact O-N 3.25Å; G524-E528 WeakPolarHBondContact O-CB 3.32Å; G524-E528 PolarHBondContact O-N 3.47Å |
| 525 | F | 94.9 | Very high | 94.5 | Very high | 115 Ų | 115 | 103.1 Ų | 103.1 | 50% | 0.504 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.3 | -22.9 | 175.9 | -71.1 | -50 | 0 | 0 | 0 | 114 | M521 S522 R529 | M521-F525 HydrophobicContact CG-CD2 4Å; M521-F525 HydrophobicContact CG-CE2 3.55Å; M521-F525 HydrophobicContact CG-CZ 4.31Å; M521-F525 WeakPolarHBondContact O-CD2 3.27Å; M521-F525 PolarHBondContact O-N 3.32Å; M521-F525 HydrophobicContact SD-CE2 3.95Å; S522-F525 PolarHBondContact O-N 3.2Å; F525-R529 VanDerWaalsContact O-CB 3.23Å; F525-R529 WeakPolarHBondContact O-CB 3.3Å; F525-R529 PolarHBondContact O-N 3.16Å |
| 526 | Q | 95.4 | Very high | 94.7 | Very high | 115 Ų | 115 | 101.5 Ų | 101.5 | 54% | 0.537 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -76.4 | -42.8 | 171.5 | -74.7 | 173.9 | 59.3 | 0 | 0 | 111.4 | S522 S523 G524 R529 L530 | S522-Q526 WeakPolarHBondContact O-CB 3.47Å; S522-Q526 VanDerWaalsContact O-CG 3.27Å; S522-Q526 WeakPolarHBondContact O-CG 3.47Å; S522-Q526 PolarHBondContact O-N 3.4Å; S522-Q526 PolarHBondContact O-NE2 3.41Å; S522-Q526 PolarHBondContact OG-NE2 3.11Å; S522-Q526 VanDerWaalsContact OG-NE2 3.16Å; S523-Q526 PolarHBondContact O-N 3.19Å; G524-Q526 PolarHBondContact O-N 3.12Å; Q526-R529 PolarHBondContact O-N 3Å; Q526-L530 WeakPolarHBondContact O-CG 3.5Å; Q526-L530 PolarHBondContact O-N 2.88Å; Q526-L530 VanDerWaalsContact O-N 3.12Å |
| 527 | H | 96.7 | Very high | 94.6 | Very high | 126 Ų | 126 | 99.6 Ų | 99.6 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.1 | -47.8 | 175.3 | -178.2 | 61.9 | 0 | 0 | 0 | 111.8 | S523 G524 R529 L530 V531 | S523-H527 PolarHBondContact O-N 3.38Å; G524-H527 PolarHBondContact O-N 3.25Å; H527-R529 VanDerWaalsContact C-N 3.26Å; H527-R529 PolarHBondContact O-N 2.89Å; H527-L530 WeakPolarHBondContact O-CB 3.27Å; H527-L530 PolarHBondContact O-N 3.01Å; H527-V531 PolarHBondContact O-N 2.67Å |
| 528 | E | 96.6 | Very high | 94.8 | Very high | 95 Ų | 95 | 103.2 Ų | 103.2 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57 | -40.8 | 176 | -160 | -151.4 | 152.5 | 0 | 0 | 111.4 | G524 L530 V531 W532 | G524-E528 WeakPolarHBondContact O-CB 3.32Å; G524-E528 PolarHBondContact O-N 3.47Å; E528-L530 VanDerWaalsContact C-N 3.32Å; E528-L530 PolarHBondContact O-N 3.32Å; E528-V531 PolarHBondContact O-N 3.46Å; E528-W532 WeakPolarHBondContact O-CB 3.29Å; E528-W532 PolarHBondContact O-N 3.3Å; E528-W532 PolarHBondContact OE1-NE1 3.32Å |
| 529 | R | 95.3 | Very high | 94.9 | Very high | 178 Ų | 178 | 100.3 Ų | 100.3 | 67% | 0.672 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65 | -31.2 | 176.2 | -175.9 | -173.2 | -52.8 | -83.8 | -7.6 | 113.4 | F525 Q526 H527 K533 | F525-R529 VanDerWaalsContact O-CB 3.23Å; F525-R529 WeakPolarHBondContact O-CB 3.3Å; F525-R529 PolarHBondContact O-N 3.16Å; Q526-R529 PolarHBondContact O-N 3Å; H527-R529 VanDerWaalsContact C-N 3.26Å; H527-R529 PolarHBondContact O-N 2.89Å; R529-K533 WeakPolarHBondContact O-CB 3.41Å; R529-K533 PolarHBondContact O-N 3.01Å; R529-K533 VanDerWaalsContact O-N 3.11Å |
| 530 | L | 96.6 | Very high | 95 | Very high | 94 Ų | 94 | 98.3 Ų | 98.3 | 49% | 0.492 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.6 | -47.1 | 173.3 | -70 | 170.1 | 0 | 0 | 0 | 110.6 | Q526 H527 E528 W532 K533 E534 | Q526-L530 WeakPolarHBondContact O-CG 3.5Å; Q526-L530 PolarHBondContact O-N 2.88Å; Q526-L530 VanDerWaalsContact O-N 3.12Å; H527-L530 WeakPolarHBondContact O-CB 3.27Å; H527-L530 PolarHBondContact O-N 3.01Å; E528-L530 VanDerWaalsContact C-N 3.32Å; E528-L530 PolarHBondContact O-N 3.32Å; L530-W532 PolarHBondContact O-N 3.42Å; L530-K533 WeakPolarHBondContact O-CA 3.43Å; L530-K533 WeakPolarHBondContact O-CB 3.47Å; L530-K533 PolarHBondContact O-N 2.87Å; L530-E534 WeakPolarHBondContact O-CG 3.23Å; L530-E534 PolarHBondContact O-N 2.84Å |
| 531 | V | 96.1 | Very high | 94.8 | Very high | 69 Ų | 69 | 98.6 Ų | 98.6 | 42% | 0.418 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.4 | -47.4 | 175 | 177.4 | 0 | 0 | 0 | 0 | 111 | H527 E528 K533 E534 E535 | H527-V531 PolarHBondContact O-N 2.67Å; E528-V531 PolarHBondContact O-N 3.46Å; V531-K533 VanDerWaalsContact C-N 3.27Å; V531-K533 PolarHBondContact O-N 2.8Å; V531-E534 PolarHBondContact O-N 2.89Å; V531-E535 WeakPolarHBondContact O-CB 3.45Å; V531-E535 PolarHBondContact O-N 2.92Å |
| 532 | W | 96.6 | Very high | 94.9 | Very high | 169 Ų | 169 | 98.8 Ų | 98.8 | 64% | 0.64 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.8 | -30.2 | 174.3 | -83.3 | 116.9 | 0 | 0 | 0 | 113.9 | E528 L530 K536 | E528-W532 WeakPolarHBondContact O-CB 3.29Å; E528-W532 PolarHBondContact O-N 3.3Å; E528-W532 PolarHBondContact OE1-NE1 3.32Å; L530-W532 PolarHBondContact O-N 3.42Å; W532-K536 WeakPolarHBondContact O-CB 3.36Å; W532-K536 PolarHBondContact O-N 3.42Å; W532-K536 VanDerWaalsContact O-N 3.16Å |
| 533 | K | 95.4 | Very high | 94.8 | Very high | 101 Ų | 101 | 101.7 Ų | 101.7 | 44% | 0.439 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.2 | -46.9 | 174.7 | 177 | -171.4 | 172.1 | -68 | 0 | 110.7 | R529 L530 V531 K536 E537 | R529-K533 WeakPolarHBondContact O-CB 3.41Å; R529-K533 PolarHBondContact O-N 3.01Å; R529-K533 VanDerWaalsContact O-N 3.11Å; L530-K533 WeakPolarHBondContact O-CA 3.43Å; L530-K533 WeakPolarHBondContact O-CB 3.47Å; L530-K533 PolarHBondContact O-N 2.87Å; V531-K533 VanDerWaalsContact C-N 3.27Å; V531-K533 PolarHBondContact O-N 2.8Å; K533-K536 PolarHBondContact O-N 2.85Å; K533-E537 WeakPolarHBondContact CE-OE1 3.44Å; K533-E537 IonicContact NZ-OE1 2.79Å; K533-E537 PolarHBondContact NZ-OE1 3.32Å; K533-E537 IonicContact NZ-OE2 3.85Å; K533-E537 PolarHBondContact NZ-OE2 3.35Å; K533-E537 WeakPolarHBondContact O-CB 3.48Å; K533-E537 WeakPolarHBondContact O-CG 3.5Å; K533-E537 PolarHBondContact O-N 3.16Å |
| 534 | E | 96.4 | Very high | 94.7 | Very high | 107 Ų | 107 | 103.9 Ų | 103.9 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.5 | -47.3 | 179.1 | -71.9 | 170 | -159.4 | 0 | 0 | 111 | L530 V531 K536 E537 K538 | L530-E534 WeakPolarHBondContact O-CG 3.23Å; L530-E534 PolarHBondContact O-N 2.84Å; V531-E534 PolarHBondContact O-N 2.89Å; E534-K536 PolarHBondContact O-N 3.41Å; E534-E537 CarbonylContact O-C 3.58Å; E534-E537 WeakPolarHBondContact O-CA 3.49Å; E534-E537 WeakPolarHBondContact O-CB 3.18Å; E534-E537 PolarHBondContact O-N 2.93Å; E534-K538 WeakPolarHBondContact O-CG 3.4Å; E534-K538 PolarHBondContact O-N 3.38Å |
| 535 | E | 95.2 | Very high | 94.5 | Very high | 70 Ų | 70 | 108 Ų | 108 | 33% | 0.327 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 178.9 | -158.7 | 55 | -123 | 0 | 0 | 111.8 | V531 E537 K538 V539 | V531-E535 WeakPolarHBondContact O-CB 3.45Å; V531-E535 PolarHBondContact O-N 2.92Å; E535-E537 VanDerWaalsContact C-N 3.28Å; E535-E537 PolarHBondContact O-N 2.87Å; E535-K538 PolarHBondContact O-N 2.88Å; E535-K538 WeakPolarHBondContact OE1-CD 3.41Å; E535-K538 IonicContact OE1-NZ 3.62Å; E535-K538 WeakPolarHBondContact OE2-CE 3.47Å; E535-K538 IonicContact OE2-NZ 3.18Å; E535-K538 PolarHBondContact OE2-NZ 3.41Å; E535-V539 WeakPolarHBondContact O-CG2 3.47Å; E535-V539 PolarHBondContact O-N 3.28Å |
| 536 | K | 94.1 | Very high | 94.4 | Very high | 122 Ų | 122 | 107.1 Ų | 107.1 | 53% | 0.53 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.1 | -37.8 | 170.3 | 177 | -173.5 | 171.9 | -167.8 | 0 | 112 | W532 K533 E534 I540 | W532-K536 WeakPolarHBondContact O-CB 3.36Å; W532-K536 PolarHBondContact O-N 3.42Å; W532-K536 VanDerWaalsContact O-N 3.16Å; K533-K536 PolarHBondContact O-N 2.85Å; E534-K536 PolarHBondContact O-N 3.41Å; K536-I540 HydrophobicContact CG-CD1 3.9Å; K536-I540 WeakPolarHBondContact O-CB 3.28Å; K536-I540 WeakPolarHBondContact O-CD1 3.49Å; K536-I540 VanDerWaalsContact O-CG1 3.22Å; K536-I540 WeakPolarHBondContact O-CG1 3.22Å; K536-I540 PolarHBondContact O-N 3.49Å |
| 537 | E | 93.9 | Very high | 94.1 | Very high | 82 Ų | 82 | 107.7 Ų | 107.7 | 38% | 0.383 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.7 | -38.6 | 177.3 | -80.1 | 168.5 | -165.2 | 0 | 0 | 111.7 | K533 E534 E535 I540 Q541 | K533-E537 WeakPolarHBondContact CE-OE1 3.44Å; K533-E537 IonicContact NZ-OE1 2.79Å; K533-E537 PolarHBondContact NZ-OE1 3.32Å; K533-E537 IonicContact NZ-OE2 3.85Å; K533-E537 PolarHBondContact NZ-OE2 3.35Å; K533-E537 WeakPolarHBondContact O-CB 3.48Å; K533-E537 WeakPolarHBondContact O-CG 3.5Å; K533-E537 PolarHBondContact O-N 3.16Å; E534-E537 CarbonylContact O-C 3.58Å; E534-E537 WeakPolarHBondContact O-CA 3.49Å; E534-E537 WeakPolarHBondContact O-CB 3.18Å; E534-E537 PolarHBondContact O-N 2.93Å; E535-E537 VanDerWaalsContact C-N 3.28Å; E535-E537 PolarHBondContact O-N 2.87Å; E537-I540 PolarHBondContact O-N 2.9Å; E537-Q541 VanDerWaalsContact O-CG 3.24Å; E537-Q541 WeakPolarHBondContact O-CG 3.2Å; E537-Q541 PolarHBondContact O-N 3.4Å |
| 538 | K | 96.3 | Very high | 93.6 | Very high | 109 Ų | 109 | 108.2 Ų | 108.2 | 47% | 0.474 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -50.6 | 169.5 | -63 | 176.8 | -156.1 | 162.6 | 0 | 111.7 | E534 E535 I540 Q541 Y542 | E534-K538 WeakPolarHBondContact O-CG 3.4Å; E534-K538 PolarHBondContact O-N 3.38Å; E535-K538 PolarHBondContact O-N 2.88Å; E535-K538 WeakPolarHBondContact OE1-CD 3.41Å; E535-K538 IonicContact OE1-NZ 3.62Å; E535-K538 WeakPolarHBondContact OE2-CE 3.47Å; E535-K538 IonicContact OE2-NZ 3.18Å; E535-K538 PolarHBondContact OE2-NZ 3.41Å; K538-I540 VanDerWaalsContact C-N 3.29Å; K538-I540 PolarHBondContact O-N 3.18Å; K538-Q541 WeakPolarHBondContact O-CB 3.15Å; K538-Q541 PolarHBondContact O-N 2.82Å; K538-Y542 PolarHBondContact O-N 3.23Å |
| 539 | V | 95 | Very high | 93.3 | Very high | 66 Ų | 66 | 105.9 Ų | 105.9 | 40% | 0.4 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.8 | -39.8 | 178.4 | 170.6 | 0 | 0 | 0 | 0 | 111.6 | E535 Q543 | E535-V539 WeakPolarHBondContact O-CG2 3.47Å; E535-V539 PolarHBondContact O-N 3.28Å; V539-Q543 HydrophobicContact CG1-CG 4.46Å; V539-Q543 WeakPolarHBondContact O-CB 3.42Å; V539-Q543 VanDerWaalsContact O-CG 3.25Å; V539-Q543 WeakPolarHBondContact O-CG 3.25Å; V539-Q543 PolarHBondContact O-N 3.12Å |
| 540 | I | 93.3 | Very high | 93.1 | Very high | 63 Ų | 63 | 104.3 Ų | 104.3 | 32% | 0.323 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.8 | -35.6 | 175.3 | -72.6 | 167.7 | 0 | 0 | 0 | 112 | K536 E537 K538 K544 | K536-I540 HydrophobicContact CG-CD1 3.9Å; K536-I540 WeakPolarHBondContact O-CB 3.28Å; K536-I540 WeakPolarHBondContact O-CD1 3.49Å; K536-I540 VanDerWaalsContact O-CG1 3.22Å; K536-I540 WeakPolarHBondContact O-CG1 3.22Å; K536-I540 PolarHBondContact O-N 3.49Å; E537-I540 PolarHBondContact O-N 2.9Å; K538-I540 VanDerWaalsContact C-N 3.29Å; K538-I540 PolarHBondContact O-N 3.18Å; I540-K544 HydrophobicContact CG2-CD 4.34Å; I540-K544 WeakPolarHBondContact O-CD 3.38Å; I540-K544 VanDerWaalsContact O-CG 3.27Å; I540-K544 WeakPolarHBondContact O-CG 3.16Å; I540-K544 PolarHBondContact O-N 3.36Å |
| 541 | Q | 91.6 | Very high | 92.9 | Very high | 124 Ų | 124 | 103.3 Ų | 103.3 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.5 | -49.4 | 175.1 | -71.2 | 168.2 | 37.9 | 0 | 0 | 110.9 | E537 K538 Q543 K544 Q545 | E537-Q541 VanDerWaalsContact O-CG 3.24Å; E537-Q541 WeakPolarHBondContact O-CG 3.2Å; E537-Q541 PolarHBondContact O-N 3.4Å; K538-Q541 WeakPolarHBondContact O-CB 3.15Å; K538-Q541 PolarHBondContact O-N 2.82Å; Q541-Q543 PolarHBondContact O-N 2.8Å; Q541-K544 WeakPolarHBondContact O-CB 3.27Å; Q541-K544 PolarHBondContact O-N 3.31Å; Q541-K544 VanDerWaalsContact O-N 3.12Å; Q541-Q545 PolarHBondContact O-N 3.43Å |
| 542 | Y | 93.8 | Very high | 92.5 | Very high | 122 Ų | 122 | 102.7 Ų | 102.7 | 48% | 0.478 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 176.2 | 179 | -108.8 | 0 | 0 | 0 | 112.3 | K538 K544 Q545 L546 | K538-Y542 PolarHBondContact O-N 3.23Å; Y542-K544 VanDerWaalsContact C-N 3.31Å; Y542-K544 PolarHBondContact O-N 3.28Å; Y542-Q545 PolarHBondContact O-N 2.99Å; Y542-L546 WeakPolarHBondContact O-CB 3.45Å; Y542-L546 PolarHBondContact O-N 2.88Å |
| 543 | Q | 89.1 | Confident | 92.4 | Very high | 104 Ų | 104 | 98.7 Ų | 98.7 | 49% | 0.486 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61 | -36.9 | 175.6 | -76.4 | 177.6 | 5.5 | 0 | 0 | 112.9 | V539 Q541 Q547 | V539-Q543 HydrophobicContact CG1-CG 4.46Å; V539-Q543 WeakPolarHBondContact O-CB 3.42Å; V539-Q543 VanDerWaalsContact O-CG 3.25Å; V539-Q543 WeakPolarHBondContact O-CG 3.25Å; V539-Q543 PolarHBondContact O-N 3.12Å; Q541-Q543 PolarHBondContact O-N 2.8Å; Q543-Q547 WeakPolarHBondContact O-CB 3.2Å; Q543-Q547 VanDerWaalsContact O-CG 3.22Å; Q543-Q547 WeakPolarHBondContact O-CG 3.33Å; Q543-Q547 PolarHBondContact O-N 3.5Å |
| 544 | K | 90 | Very high | 92.2 | Very high | 114 Ų | 114 | 99.3 Ų | 99.3 | 50% | 0.496 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.7 | -44.3 | 174.3 | -73.5 | 167.6 | -179.9 | 177.7 | 0 | 111.9 | I540 Q541 Y542 L546 Q547 Q548 | I540-K544 HydrophobicContact CG2-CD 4.34Å; I540-K544 WeakPolarHBondContact O-CD 3.38Å; I540-K544 VanDerWaalsContact O-CG 3.27Å; I540-K544 WeakPolarHBondContact O-CG 3.16Å; I540-K544 PolarHBondContact O-N 3.36Å; Q541-K544 WeakPolarHBondContact O-CB 3.27Å; Q541-K544 PolarHBondContact O-N 3.31Å; Q541-K544 VanDerWaalsContact O-N 3.12Å; Y542-K544 VanDerWaalsContact C-N 3.31Å; Y542-K544 PolarHBondContact O-N 3.28Å; K544-L546 VanDerWaalsContact C-N 3.35Å; K544-Q547 PolarHBondContact O-N 2.98Å; K544-Q548 WeakPolarHBondContact O-CB 3.22Å; K544-Q548 VanDerWaalsContact O-CG 3.3Å; K544-Q548 WeakPolarHBondContact O-CG 3.35Å; K544-Q548 PolarHBondContact O-N 3.02Å |
| 545 | Q | 92.4 | Very high | 92 | Very high | 123 Ų | 123 | 98.6 Ų | 98.6 | 58% | 0.575 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.8 | -43.2 | 177.7 | -174.7 | 178 | -4 | 0 | 0 | 111.1 | Q541 Y542 Q548 S549 | Q541-Q545 PolarHBondContact O-N 3.43Å; Y542-Q545 PolarHBondContact O-N 2.99Å; Q545-Q548 PolarHBondContact O-N 3.06Å; Q545-S549 WeakPolarHBondContact O-CB 3.21Å; Q545-S549 PolarHBondContact O-N 3.05Å |
| 546 | L | 92.3 | Very high | 91.7 | Very high | 96 Ų | 96 | 100.6 Ų | 100.6 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.4 | -174.2 | 63 | 0 | 0 | 0 | 112.2 | Y542 K544 Y550 | Y542-L546 WeakPolarHBondContact O-CB 3.45Å; Y542-L546 PolarHBondContact O-N 2.88Å; K544-L546 VanDerWaalsContact C-N 3.35Å; L546-Y550 WeakPolarHBondContact O-CB 3.5Å; L546-Y550 PolarHBondContact O-N 3.38Å |
| 547 | Q | 88.6 | Confident | 91.6 | Very high | 128 Ų | 128 | 98 Ų | 98 | 60% | 0.598 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 173.9 | -76.1 | 170.9 | 3.9 | 0 | 0 | 112.3 | Q543 K544 Y550 V551 | Q543-Q547 WeakPolarHBondContact O-CB 3.2Å; Q543-Q547 VanDerWaalsContact O-CG 3.22Å; Q543-Q547 WeakPolarHBondContact O-CG 3.33Å; Q543-Q547 PolarHBondContact O-N 3.5Å; K544-Q547 PolarHBondContact O-N 2.98Å; Q547-Y550 PolarHBondContact O-N 3.38Å; Q547-V551 WeakPolarHBondContact O-CG2 3.41Å; Q547-V551 PolarHBondContact O-N 2.93Å |
| 548 | Q | 86.8 | Confident | 91.5 | Very high | 137 Ų | 137 | 97.1 Ų | 97.1 | 64% | 0.64 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -63.9 | -46.2 | 176.7 | -73.3 | 170.6 | -3.5 | 0 | 0 | 111.5 | K544 Q545 V551 A552 | K544-Q548 WeakPolarHBondContact O-CB 3.22Å; K544-Q548 VanDerWaalsContact O-CG 3.3Å; K544-Q548 WeakPolarHBondContact O-CG 3.35Å; K544-Q548 PolarHBondContact O-N 3.02Å; Q545-Q548 PolarHBondContact O-N 3.06Å; Q548-V551 PolarHBondContact O-N 3.1Å; Q548-A552 WeakPolarHBondContact O-CB 3.14Å; Q548-A552 PolarHBondContact O-N 2.81Å |
| 549 | S | 90.1 | Very high | 91.3 | Very high | 45 Ų | 45 | 99.3 Ų | 99.3 | 32% | 0.315 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 111.9 | Q545 V551 A552 M553 | Q545-S549 WeakPolarHBondContact O-CB 3.21Å; Q545-S549 PolarHBondContact O-N 3.05Å; S549-V551 PolarHBondContact O-N 3.46Å; S549-A552 PolarHBondContact O-N 2.95Å; S549-M553 WeakPolarHBondContact O-CB 3.07Å; S549-M553 PolarHBondContact O-N 2.88Å |
| 550 | Y | 91.3 | Very high | 91 | Very high | 145 Ų | 145 | 99.7 Ų | 99.7 | 57% | 0.569 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.8 | -43.8 | 176.3 | -179.7 | -95.2 | 0 | 0 | 0 | 112.4 | L546 Q547 M553 Y554 | L546-Y550 WeakPolarHBondContact O-CB 3.5Å; L546-Y550 PolarHBondContact O-N 3.38Å; Q547-Y550 PolarHBondContact O-N 3.38Å; Y550-M553 HydrophobicContact CD2-CE 3.79Å; Y550-M553 HydrophobicContact CE2-CE 3.96Å; Y550-Y554 VanDerWaalsContact O-CB 3.26Å; Y550-Y554 WeakPolarHBondContact O-CB 3.38Å; Y550-Y554 PolarHBondContact O-N 2.78Å |
| 551 | V | 91.8 | Very high | 90.8 | Very high | 73 Ų | 73 | 101.6 Ų | 101.6 | 44% | 0.442 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.3 | -41 | 177.5 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | Q547 Q548 S549 Y554 Q555 | Q547-V551 WeakPolarHBondContact O-CG2 3.41Å; Q547-V551 PolarHBondContact O-N 2.93Å; Q548-V551 PolarHBondContact O-N 3.1Å; S549-V551 PolarHBondContact O-N 3.46Å; V551-Y554 PolarHBondContact O-N 3.38Å; V551-Q555 WeakPolarHBondContact O-CB 3.15Å; V551-Q555 VanDerWaalsContact O-CG 3.3Å; V551-Q555 WeakPolarHBondContact O-CG 3.38Å; V551-Q555 PolarHBondContact O-N 3.29Å |
| 552 | A | 89.2 | Confident | 90.7 | Very high | 57 Ų | 57 | 101 Ų | 101 | 47% | 0.471 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q548 S549 Q555 R556 | Q548-A552 WeakPolarHBondContact O-CB 3.14Å; Q548-A552 PolarHBondContact O-N 2.81Å; S549-A552 PolarHBondContact O-N 2.95Å; A552-Q555 PolarHBondContact O-N 3.4Å; A552-R556 WeakPolarHBondContact O-CB 3.27Å; A552-R556 PolarHBondContact O-N 2.9Å |
| 553 | M | 93.6 | Very high | 90.4 | Very high | 84 Ų | 84 | 96.1 Ų | 96.1 | 41% | 0.414 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 175.2 | 179.2 | -82.1 | -67.5 | 0 | 0 | 111.7 | S549 Y550 Q555 R556 N557 | S549-M553 WeakPolarHBondContact O-CB 3.07Å; S549-M553 PolarHBondContact O-N 2.88Å; Y550-M553 HydrophobicContact CD2-CE 3.79Å; Y550-M553 HydrophobicContact CE2-CE 3.96Å; M553-Q555 PolarHBondContact O-N 3.42Å; M553-R556 WeakPolarHBondContact O-CB 3.1Å; M553-R556 PolarHBondContact O-N 3.19Å; M553-N557 PolarHBondContact O-N 3.25Å; M553-N557 PolarHBondContact SD-ND2 2.8Å; M553-N557 VanDerWaalsContact SD-ND2 3.39Å |
| 554 | Y | 92.1 | Very high | 90.2 | Very high | 114 Ų | 114 | 96.7 Ų | 96.7 | 45% | 0.447 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 176.1 | -179.9 | -108 | 0 | 0 | 0 | 112.3 | Y550 V551 N557 Q558 | Y550-Y554 VanDerWaalsContact O-CB 3.26Å; Y550-Y554 WeakPolarHBondContact O-CB 3.38Å; Y550-Y554 PolarHBondContact O-N 2.78Å; V551-Y554 PolarHBondContact O-N 3.38Å; Y554-N557 PolarHBondContact O-N 3.39Å; Y554-Q558 HydrophobicContact CE1-CG 4.24Å; Y554-Q558 PolarHBondContact O-N 3.04Å; Y554-Q558 PolarHBondContact OH-NE2 2.91Å |
| 555 | Q | 91.1 | Very high | 90 | Very high | 92 Ų | 92 | 96.3 Ų | 96.3 | 43% | 0.43 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 172.7 | -73 | -179.4 | 28.1 | 0 | 0 | 112.4 | V551 A552 M553 Q558 R559 | V551-Q555 WeakPolarHBondContact O-CB 3.15Å; V551-Q555 VanDerWaalsContact O-CG 3.3Å; V551-Q555 WeakPolarHBondContact O-CG 3.38Å; V551-Q555 PolarHBondContact O-N 3.29Å; A552-Q555 PolarHBondContact O-N 3.4Å; M553-Q555 PolarHBondContact O-N 3.42Å; Q555-Q558 PolarHBondContact O-N 3.42Å; Q555-R559 WeakPolarHBondContact O-CG 3.43Å; Q555-R559 PolarHBondContact O-N 2.91Å; Q555-R559 VanDerWaalsContact O-N 3.07Å |
| 556 | R | 90.1 | Very high | 89.6 | Confident | 112 Ų | 112 | 96 Ų | 96 | 42% | 0.423 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 174.4 | -175 | 177.9 | -177.9 | 169.2 | 1.9 | 110.7 | A552 M553 Q558 R559 L560 | A552-R556 WeakPolarHBondContact O-CB 3.27Å; A552-R556 PolarHBondContact O-N 2.9Å; M553-R556 WeakPolarHBondContact O-CB 3.1Å; M553-R556 PolarHBondContact O-N 3.19Å; R556-Q558 PolarHBondContact O-N 2.89Å; R556-R559 WeakPolarHBondContact O-CB 3.24Å; R556-R559 PolarHBondContact O-N 3.47Å; R556-R559 VanDerWaalsContact O-N 3.12Å; R556-L560 HydrophobicContact CG-CD1 4.24Å; R556-L560 WeakPolarHBondContact O-CG 3.38Å; R556-L560 PolarHBondContact O-N 2.98Å |
| 557 | N | 90.3 | Very high | 89 | Confident | 69 Ų | 69 | 96.3 Ų | 96.3 | 37% | 0.369 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 176.1 | -73.8 | -2.8 | 0 | 0 | 0 | 111.9 | M553 Y554 R559 L560 E561 | M553-N557 PolarHBondContact O-N 3.25Å; M553-N557 PolarHBondContact SD-ND2 2.8Å; M553-N557 VanDerWaalsContact SD-ND2 3.39Å; Y554-N557 PolarHBondContact O-N 3.39Å; N557-R559 VanDerWaalsContact C-N 3.27Å; N557-R559 PolarHBondContact O-N 2.81Å; N557-L560 PolarHBondContact O-N 3.37Å; N557-L560 VanDerWaalsContact O-N 3.17Å; N557-E561 WeakPolarHBondContact O-CB 3.34Å; N557-E561 WeakPolarHBondContact O-CG 3.46Å; N557-E561 PolarHBondContact O-N 3.45Å |
| 558 | Q | 92.7 | Very high | 88.4 | Confident | 62 Ų | 62 | 94.4 Ų | 94.4 | 29% | 0.29 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.5 | -33.3 | 173.5 | -78.8 | -159.2 | 8.9 | 0 | 0 | 113.8 | Y554 Q555 R556 K562 | Y554-Q558 HydrophobicContact CE1-CG 4.24Å; Y554-Q558 PolarHBondContact O-N 3.04Å; Y554-Q558 PolarHBondContact OH-NE2 2.91Å; Q555-Q558 PolarHBondContact O-N 3.42Å; R556-Q558 PolarHBondContact O-N 2.89Å; Q558-K562 VanDerWaalsContact O-CD 3.29Å; Q558-K562 WeakPolarHBondContact O-CD 3.46Å; Q558-K562 WeakPolarHBondContact O-CG 3.43Å; Q558-K562 PolarHBondContact O-N 3.2Å |
| 559 | R | 92.6 | Very high | 87.8 | Confident | 156 Ų | 156 | 97.1 Ų | 97.1 | 59% | 0.589 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.3 | -44.5 | 175.3 | -67 | 171.4 | -153.1 | 153.5 | 7.5 | 110.6 | Q555 R556 N557 K562 A563 | Q555-R559 WeakPolarHBondContact O-CG 3.43Å; Q555-R559 PolarHBondContact O-N 2.91Å; Q555-R559 VanDerWaalsContact O-N 3.07Å; R556-R559 WeakPolarHBondContact O-CB 3.24Å; R556-R559 PolarHBondContact O-N 3.47Å; R556-R559 VanDerWaalsContact O-N 3.12Å; N557-R559 VanDerWaalsContact C-N 3.27Å; N557-R559 PolarHBondContact O-N 2.81Å; R559-K562 PolarHBondContact O-N 3.46Å; R559-A563 PolarHBondContact O-N 3.49Å |
| 560 | L | 88.5 | Confident | 86.4 | Confident | 74 Ų | 74 | 97.8 Ų | 97.8 | 39% | 0.387 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -42.6 | 177 | -66.4 | 171.5 | 0 | 0 | 0 | 112.1 | R556 N557 K562 A563 L564 | R556-L560 HydrophobicContact CG-CD1 4.24Å; R556-L560 WeakPolarHBondContact O-CG 3.38Å; R556-L560 PolarHBondContact O-N 2.98Å; N557-L560 PolarHBondContact O-N 3.37Å; N557-L560 VanDerWaalsContact O-N 3.17Å; L560-K562 VanDerWaalsContact C-N 3.33Å; L560-K562 PolarHBondContact O-N 2.78Å; L560-A563 PolarHBondContact O-N 3.31Å; L560-L564 WeakPolarHBondContact O-CB 3.48Å; L560-L564 VanDerWaalsContact O-CG 3.29Å; L560-L564 WeakPolarHBondContact O-CG 3.42Å; L560-L564 PolarHBondContact O-N 2.95Å |
| 561 | E | 88.9 | Confident | 84.8 | Confident | 102 Ų | 102 | 97.6 Ų | 97.6 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 173.5 | -75.5 | 171 | -169.4 | 0 | 0 | 112 | N557 Q565 | N557-E561 WeakPolarHBondContact O-CB 3.34Å; N557-E561 WeakPolarHBondContact O-CG 3.46Å; N557-E561 PolarHBondContact O-N 3.45Å; E561-Q565 WeakPolarHBondContact O-CB 3.44Å; E561-Q565 WeakPolarHBondContact O-CG 3.32Å; E561-Q565 PolarHBondContact O-N 3.09Å |
| 562 | K | 90.1 | Very high | 83 | Confident | 113 Ų | 113 | 98.4 Ų | 98.4 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.8 | -44 | 176.4 | -72.9 | 164.5 | -169.8 | 164.4 | 0 | 111.8 | Q558 R559 L560 Q565 Q566 | Q558-K562 VanDerWaalsContact O-CD 3.29Å; Q558-K562 WeakPolarHBondContact O-CD 3.46Å; Q558-K562 WeakPolarHBondContact O-CG 3.43Å; Q558-K562 PolarHBondContact O-N 3.2Å; R559-K562 PolarHBondContact O-N 3.46Å; L560-K562 VanDerWaalsContact C-N 3.33Å; L560-K562 PolarHBondContact O-N 2.78Å; K562-Q565 PolarHBondContact O-N 3.16Å; K562-Q566 WeakPolarHBondContact O-CG 3.38Å; K562-Q566 PolarHBondContact O-N 3.33Å; K562-Q566 PolarHBondContact O-OE1 3.01Å |
| 563 | A | 87.1 | Confident | 81.1 | Confident | 18 Ų | 18 | 100.7 Ų | 100.7 | 15% | 0.149 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R559 L560 Q565 Q566 L567 L577 | R559-A563 PolarHBondContact O-N 3.49Å; L560-A563 PolarHBondContact O-N 3.31Å; A563-Q565 VanDerWaalsContact C-N 3.35Å; A563-Q565 PolarHBondContact O-N 2.99Å; A563-Q566 PolarHBondContact O-N 3.38Å; A563-L567 WeakPolarHBondContact O-CG 3.33Å; A563-L567 PolarHBondContact O-N 3.04Å; A563-L577 HydrophobicContact CB-CD2 4.2Å |
| 564 | L | 84.8 | Confident | 79.2 | Confident | 117 Ų | 117 | 100.3 Ų | 100.3 | 61% | 0.613 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.8 | -38.8 | 174 | -71.8 | 170.2 | 0 | 0 | 0 | 112.1 | L560 Q566 A568 | L560-L564 WeakPolarHBondContact O-CB 3.48Å; L560-L564 VanDerWaalsContact O-CG 3.29Å; L560-L564 WeakPolarHBondContact O-CG 3.42Å; L560-L564 PolarHBondContact O-N 2.95Å; L564-Q566 VanDerWaalsContact C-N 3.35Å; L564-A568 WeakPolarHBondContact O-CB 3.42Å; L564-A568 PolarHBondContact O-N 3.27Å |
| 565 | Q | 85.4 | Confident | 76.9 | Confident | 106 Ų | 106 | 103.9 Ų | 103.9 | 50% | 0.495 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.9 | -31.1 | 174.6 | -74.1 | 169.1 | 32.8 | 0 | 0 | 113.2 | E561 K562 A563 R569 | E561-Q565 WeakPolarHBondContact O-CB 3.44Å; E561-Q565 WeakPolarHBondContact O-CG 3.32Å; E561-Q565 PolarHBondContact O-N 3.09Å; K562-Q565 PolarHBondContact O-N 3.16Å; A563-Q565 VanDerWaalsContact C-N 3.35Å; A563-Q565 PolarHBondContact O-N 2.99Å; Q565-R569 WeakPolarHBondContact O-CD 3.3Å; Q565-R569 VanDerWaalsContact O-CG 3.24Å; Q565-R569 WeakPolarHBondContact O-CG 3.44Å; Q565-R569 PolarHBondContact O-N 3.08Å |
| 566 | Q | 84.3 | Confident | 74.8 | Confident | 116 Ų | 116 | 105.1 Ų | 105.1 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72 | -49 | 173.6 | -72.5 | 166 | -43.8 | 0 | 0 | 110.9 | K562 A563 L564 A568 R569 G570 | K562-Q566 WeakPolarHBondContact O-CG 3.38Å; K562-Q566 PolarHBondContact O-N 3.33Å; K562-Q566 PolarHBondContact O-OE1 3.01Å; A563-Q566 PolarHBondContact O-N 3.38Å; L564-Q566 VanDerWaalsContact C-N 3.35Å; Q566-A568 VanDerWaalsContact C-N 3.31Å; Q566-A568 PolarHBondContact O-N 3.27Å; Q566-R569 WeakPolarHBondContact O-CB 3.26Å; Q566-R569 PolarHBondContact O-N 3.47Å; Q566-G570 PolarHBondContact O-N 3.33Å |
| 567 | L | 80.6 | Confident | 72.9 | Confident | 102 Ų | 102 | 105.5 Ų | 105.5 | 53% | 0.534 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -58.8 | -41.4 | 175.4 | -68.8 | 169.7 | 0 | 0 | 0 | 111.9 | A563 R569 G570 | A563-L567 WeakPolarHBondContact O-CG 3.33Å; A563-L567 PolarHBondContact O-N 3.04Å; L567-R569 PolarHBondContact O-N 2.98Å; L567-G570 PolarHBondContact O-N 2.88Å; L567-G570 VanDerWaalsContact O-N 3.14Å |
| 568 | A | 74.6 | Confident | 71 | Confident | 88 Ų | 88 | 111.2 Ų | 111.2 | 73% | 0.727 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -12.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L564 Q566 | L564-A568 WeakPolarHBondContact O-CB 3.42Å; L564-A568 PolarHBondContact O-N 3.27Å; Q566-A568 VanDerWaalsContact C-N 3.31Å; Q566-A568 PolarHBondContact O-N 3.27Å |
| 569 | R | 75.3 | Confident | 69.1 | Low | 194 Ų | 194 | 112 Ų | 112 | 73% | 0.732 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | -12.7 | 172.5 | -73.9 | 170.1 | -175.3 | -151.8 | 0.6 | 113.4 | Q565 Q566 L567 | Q565-R569 WeakPolarHBondContact O-CD 3.3Å; Q565-R569 VanDerWaalsContact O-CG 3.24Å; Q565-R569 WeakPolarHBondContact O-CG 3.44Å; Q565-R569 PolarHBondContact O-N 3.08Å; Q566-R569 WeakPolarHBondContact O-CB 3.26Å; Q566-R569 PolarHBondContact O-N 3.47Å; L567-R569 PolarHBondContact O-N 2.98Å |
| 570 | G | 60 | Low | 66.9 | Low | 59 Ų | 59 | 110.6 Ų | 110.6 | 61% | 0.608 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 90.2 | 1.2 | 176 | 0 | 0 | 0 | 0 | 0 | 115.6 | Q566 L567 S572 | Q566-G570 PolarHBondContact O-N 3.33Å; L567-G570 PolarHBondContact O-N 2.88Å; L567-G570 VanDerWaalsContact O-N 3.14Å; G570-S572 PolarHBondContact O-N 3.26Å |
| 571 | D | 58.7 | Low | 65.2 | Low | 142 Ų | 142 | 112.2 Ų | 112.2 | 76% | 0.759 | 63% | 0.633 | S | S | * | * | trans | -75.7 | 50.4 | -180 | -66.9 | -44.6 | 0 | 0 | 0 | 112.7 | ||||
| 572 | S | 52.7 | Low | 63.3 | Low | 89 Ų | 89 | 115.8 Ų | 115.8 | 62% | 0.622 | 65% | 0.649 | S | S | * | * | trans | -113 | 61.9 | -176.2 | 179.4 | 0 | 0 | 0 | 0 | 111.8 | G570 | G570-S572 PolarHBondContact O-N 3.26Š| ||
| 573 | A | 50.8 | Low | 61.4 | Low | 105 Ų | 105 | 113.2 Ų | 113.2 | 87% | 0.868 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -142.5 | 83.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 574 | G | 52 | Low | 59.7 | Low | 77 Ų | 77 | 116.1 Ų | 116.1 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 171 | -61.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 575 | E | 45.2 | Very low | 58.2 | Low | 189 Ų | 189 | 117.8 Ų | 117.8 | 88% | 0.883 | 69% | 0.688 | S | S | * | * | trans | -119.4 | 141.7 | -163.9 | -63.2 | -167.6 | 148.6 | 0 | 0 | 113.7 | L577 | E575-L577 PolarHBondContact O-N 2.98Š| ||
| 576 | P | 46.6 | Very low | 56.8 | Low | 117 Ų | 117 | 117.4 Ų | 117.4 | 76% | 0.76 | 69% | 0.689 | S | S | * | * | trans | -71 | 120 | 170.5 | 30.4 | -32.2 | 0 | 0 | 0 | 109.3 | E578 | P576-E578 PolarHBondContact O-N 3.46Š| ||
| 577 | L | 50.8 | Low | 55.2 | Low | 121 Ų | 121 | 115.9 Ų | 115.9 | 63% | 0.634 | 69% | 0.689 | S | S | * | * | trans | -73.3 | 90.9 | 177.8 | -167.7 | 77 | 0 | 0 | 0 | 109.8 | A563 E575 V579 | A563-L577 HydrophobicContact CB-CD2 4.2Å; E575-L577 PolarHBondContact O-N 2.98Å; L577-V579 HydrophobicContact CD2-CG2 3.79Å; L577-V579 HydrophobicContact CG-CG2 4.02Å; L577-V579 PolarHBondContact O-N 2.93Å | ||
| 578 | E | 50.3 | Low | 53.7 | Low | 189 Ų | 189 | 119.7 Ų | 119.7 | 88% | 0.883 | 70% | 0.697 | S | S | * | * | trans | -65 | 84.7 | 166.2 | -76.7 | -164.7 | 145 | 0 | 0 | 109.6 | P576 D580 | P576-E578 PolarHBondContact O-N 3.46Å; E578-D580 PolarHBondContact O-N 3Å | ||
| 579 | V | 51.8 | Low | 52.7 | Low | 79 Ų | 79 | 123.5 Ų | 123.5 | 48% | 0.479 | 70% | 0.7 | S | S | . | * | trans | -70.6 | 90.4 | 158.5 | -178.3 | 0 | 0 | 0 | 0 | 106 | L577 L581 | L577-V579 HydrophobicContact CD2-CG2 3.79Å; L577-V579 HydrophobicContact CG-CG2 4.02Å; L577-V579 PolarHBondContact O-N 2.93Å; V579-L581 HydrophobicContact CG1-CD2 4.25Å; V579-L581 PolarHBondContact O-N 3.15Å | ||
| 580 | D | 46.5 | Very low | 51.3 | Low | 125 Ų | 125 | 120.4 Ų | 120.4 | 67% | 0.668 | 70% | 0.698 | S | S | * | * | trans | -55.8 | 127.3 | 170.1 | -172.3 | -2 | 0 | 0 | 0 | 109.5 | E578 E582 | E578-D580 PolarHBondContact O-N 3Å; D580-E582 PolarHBondContact OD1-N 3.23Å | ||
| 581 | L | 53.5 | Low | 50.8 | Low | 108 Ų | 108 | 122.7 Ų | 122.7 | 57% | 0.565 | 70% | 0.695 | S | S | * | * | trans | -110.4 | 11.3 | -175.4 | -73.8 | 173.7 | 0 | 0 | 0 | 112.5 | V579 G583 A584 | V579-L581 HydrophobicContact CG1-CD2 4.25Å; V579-L581 PolarHBondContact O-N 3.15Å; L581-G583 PolarHBondContact O-N 3.42Å; L581-G583 VanDerWaalsContact O-N 3.08Å; L581-A584 PolarHBondContact O-N 3.33Å | ||
| 582 | E | 48.9 | Very low | 50.3 | Low | 178 Ų | 178 | 122.7 Ų | 122.7 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | 114.7 | 165.2 | -73.1 | -159.1 | 160.3 | 0 | 0 | 110.3 | D580 | D580-E582 PolarHBondContact OD1-N 3.23Š|
| 583 | G | 50.5 | Low | 49.9 | Very low | 58 Ų | 58 | 122.7 Ų | 122.7 | 60% | 0.598 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 117 | 21.3 | -171 | 0 | 0 | 0 | 0 | 0 | 115.5 | L581 D585 | L581-G583 PolarHBondContact O-N 3.42Å; L581-G583 VanDerWaalsContact O-N 3.08Å; G583-D585 VanDerWaalsContact C-N 3.3Å |
| 584 | A | 50.1 | Low | 49.4 | Very low | 79 Ų | 79 | 123.4 Ų | 123.4 | 65% | 0.653 | 69% | 0.693 | S | S | * | * | trans | -68 | -27.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L581 I586 | L581-A584 PolarHBondContact O-N 3.33Å; A584-I586 PolarHBondContact O-N 3.21Å | ||
| 585 | D | 53.7 | Low | 49 | Very low | 153 Ų | 153 | 129 Ų | 129 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | -90.9 | 82.2 | -174.2 | -61.4 | -45.3 | 0 | 0 | 0 | 112.8 | G583 | G583-D585 VanDerWaalsContact C-N 3.3Š| ||
| 586 | I | 55.3 | Low | 48.6 | Very low | 98 Ų | 98 | 131 Ų | 131 | 50% | 0.503 | 71% | 0.713 | S | S | . | * | trans | -105 | 99.1 | 153.1 | -59.4 | 179.9 | 0 | 0 | 0 | 106.5 | A584 Y588 | A584-I586 PolarHBondContact O-N 3.21Å; I586-Y588 VanDerWaalsContact O-CD2 3.29Å; I586-Y588 WeakPolarHBondContact O-CD2 3.35Å; I586-Y588 PolarHBondContact O-N 3Å | ||
| 587 | P | 50.4 | Low | 48.7 | Very low | 84 Ų | 84 | 131.8 Ų | 131.8 | 55% | 0.545 | 71% | 0.711 | S | S | . | * | trans | -67.4 | 117 | 178.9 | 26.6 | -32.9 | 0 | 0 | 0 | 109.9 | E589 | P587-E589 PolarHBondContact O-N 3.38Š| ||
| 588 | Y | 50.9 | Low | 48.6 | Very low | 181 Ų | 181 | 132.3 Ų | 132.3 | 71% | 0.71 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -74.7 | -5 | 176.2 | -79.9 | -99.5 | 0 | 0 | 0 | 113.2 | I586 D590 I591 | I586-Y588 VanDerWaalsContact O-CD2 3.29Å; I586-Y588 WeakPolarHBondContact O-CD2 3.35Å; I586-Y588 PolarHBondContact O-N 3Å; Y588-D590 VanDerWaalsContact C-N 3.31Å; Y588-D590 PolarHBondContact O-N 3.17Å; Y588-I591 HydrophobicContact CD1-CD1 3.76Å; Y588-I591 WeakPolarHBondContact O-CG1 3.05Å; Y588-I591 PolarHBondContact O-N 3.23Å |
| 589 | E | 52.9 | Low | 48.5 | Very low | 168 Ų | 168 | 129.2 Ų | 129.2 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -63.1 | -30.3 | 178.9 | -62.4 | -68.1 | 129.5 | 0 | 0 | 113.3 | P587 I591 | P587-E589 PolarHBondContact O-N 3.38Å; E589-I591 PolarHBondContact O-N 3.13Å; E589-I591 VanDerWaalsContact O-N 3.12Å |
| 590 | D | 45.8 | Very low | 48.3 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 69% | 0.69 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -73.1 | 0.9 | -179.5 | -79 | -18.2 | 0 | 0 | 0 | 113.7 | Y588 I592 | Y588-D590 VanDerWaalsContact C-N 3.31Å; Y588-D590 PolarHBondContact O-N 3.17Å; D590-I592 PolarHBondContact O-N 3.46Å |
| 591 | I | 49.8 | Very low | 48.5 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 55% | 0.549 | 72% | 0.722 | S | S | . | * | trans | -80.5 | 54.1 | 172.7 | -46.7 | 177.4 | 0 | 0 | 0 | 110.1 | Y588 E589 A593 | Y588-I591 HydrophobicContact CD1-CD1 3.76Å; Y588-I591 WeakPolarHBondContact O-CG1 3.05Å; Y588-I591 PolarHBondContact O-N 3.23Å; E589-I591 PolarHBondContact O-N 3.13Å; E589-I591 VanDerWaalsContact O-N 3.12Å; I591-A593 PolarHBondContact O-N 2.83Å; I591-A593 VanDerWaalsContact O-N 3.1Å | ||
| 592 | I | 46.9 | Very low | 48.1 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 73% | 0.728 | 73% | 0.732 | S | S | * | * | trans | -74 | 99.4 | 165.5 | -58.3 | -179.2 | 0 | 0 | 0 | 107.1 | D590 T594 | D590-I592 PolarHBondContact O-N 3.46Å; I592-T594 PolarHBondContact O-N 2.65Å | ||
| 593 | A | 45 | Very low | 48.1 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | trans | -59.2 | 109.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | I591 E595 | I591-A593 PolarHBondContact O-N 2.83Å; I591-A593 VanDerWaalsContact O-N 3.1Å; A593-E595 PolarHBondContact O-N 2.68Å | ||
| 594 | T | 40.6 | Very low | 47.9 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | trans | -71.3 | 102.1 | 172.5 | -37.8 | 0 | 0 | 0 | 0 | 108.1 | I592 I596 | I592-T594 PolarHBondContact O-N 2.65Å; T594-I596 WeakPolarHBondContact O-CG1 3.22Å | ||
| 595 | E | 42.9 | Very low | 47.7 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 91% | 0.907 | 74% | 0.742 | S | S | * | * | trans | -60.5 | 138 | 170.9 | -164.9 | 165.9 | -151.7 | 0 | 0 | 109.3 | A593 | A593-E595 PolarHBondContact O-N 2.68Š| ||
| 596 | I | 37.9 | Very low | 47.1 | Very low | 233 Ų | 233 | 140.5 Ų | 140.5 | 100% | 1.195 | 74% | 0.735 | S | S | * | * | trans | -115.2 | 0 | -166.4 | -42.1 | 176.5 | 0 | 0 | 0 | 110.7 | T594 | T594-I596 WeakPolarHBondContact O-CG1 3.22Š|
Retrieved 596 of 596 residues in 213.5 ms
(Link to these results)