| 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 | 39.2 | Very low | 38.8 | Very low | 240 Ų | 240 | 137.5 Ų | 137.5 | 100% | 1.182 | 84% | 0.841 | S | S | * | * | 0 | 145 | 0 | -69.4 | -55 | 177.6 | 0 | 0 | 108.9 | |||||
| 2 | S | 37.1 | Very low | 38.3 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 85% | 0.847 | S | S | * | * | trans | -53.2 | 145.6 | -166.7 | -42.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 3 | S | 38.3 | Very low | 37.7 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 84% | 0.84 | S | S | * | * | cis | 64.3 | 135.3 | 43.4 | -51 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 4 | R | 42.6 | Very low | 38.7 | Very low | 222 Ų | 222 | 131.6 Ų | 131.6 | 84% | 0.838 | 84% | 0.838 | S | S | * | * | cis | -148.7 | 165.2 | 28.9 | -75.9 | -177.6 | 169 | -170.2 | -4.1 | 113.3 | ||||
| 5 | L | 40.9 | Very low | 38.3 | Very low | 165 Ų | 165 | 132.3 Ų | 132.3 | 86% | 0.864 | 84% | 0.841 | S | S | * | * | trans | 17.4 | 145.9 | 131.2 | -41.5 | 169.9 | 0 | 0 | 0 | 118.5 | ||||
| 6 | G | 33.8 | Very low | 38.1 | Very low | 77 Ų | 77 | 131.6 Ų | 131.6 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | cis | -179.6 | -158.7 | 8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 7 | A | 35.3 | Very low | 37.6 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | cis | -163.4 | -169 | -8.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 8 | V | 39.3 | Very low | 37.1 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 81% | 0.806 | 83% | 0.833 | S | S | * | * | trans | -136.4 | 144.4 | 176.8 | -169.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 9 | P | 48.2 | Very low | 37 | Very low | 132 Ų | 132 | 140 Ų | 140 | 86% | 0.857 | 83% | 0.833 | S | S | * | * | -140.4 | -174.9 | 128.5 | 38.7 | -25.3 | 0 | 0 | 0 | 113.2 | |||||
| 10 | A | 35.1 | Very low | 36.8 | Very low | 81 Ų | 81 | 142.8 Ų | 142.8 | 67% | 0.669 | 84% | 0.837 | S | S | * | * | trans | -133.3 | 167.3 | -165.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 11 | T | 37.2 | Very low | 36.6 | Very low | 140 Ų | 140 | 146.5 Ų | 146.5 | 86% | 0.859 | 84% | 0.837 | S | S | * | * | trans | 53.2 | 122.5 | 155.6 | 53.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 12 | S | 32.4 | Very low | 36.2 | Very low | 131 Ų | 131 | 141 Ų | 141 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | -159.6 | 167.7 | 124.2 | 52.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 13 | G | 31 | Very low | 36 | Very low | 73 Ų | 73 | 141 Ų | 141 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -111.1 | -123.4 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 14 | P | 51.4 | Low | 35.6 | Very low | 126 Ų | 126 | 147 Ų | 147 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | -121.2 | 160.4 | -123.5 | 39 | -27.5 | 0 | 0 | 0 | 115.6 | |||||
| 15 | T | 33.1 | Very low | 35 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | trans | -134.7 | 144 | 167.7 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 16 | T | 33.9 | Very low | 34.6 | Very low | 122 Ų | 122 | 142 Ų | 142 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | trans | -118.4 | -166.7 | 176.6 | 53.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 17 | F | 29.5 | Very low | 34.2 | Very low | 188 Ų | 188 | 142.2 Ų | 142.2 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | 77.7 | 150.6 | -172.7 | -63 | -91 | 0 | 0 | 0 | 114.8 | ||||
| 18 | K | 30.2 | Very low | 34 | Very low | 188 Ų | 188 | 141.8 Ų | 141.8 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | cis | -140.2 | 152.3 | 5.9 | -152.5 | 143.9 | -176.6 | 175.8 | 0 | 111.9 | ||||
| 19 | Q | 34.8 | Very low | 33.7 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 83% | 0.832 | 82% | 0.821 | S | S | * | * | trans | -73.9 | 154.4 | 167 | -65.8 | 176.1 | -12.7 | 0 | 0 | 111 | ||||
| 20 | Q | 31.9 | Very low | 32.8 | Very low | 195 Ų | 195 | 147.3 Ų | 147.3 | 91% | 0.911 | 82% | 0.824 | S | S | * | * | trans | -138.4 | 111.3 | 154.9 | -164.1 | 162.2 | -11.5 | 0 | 0 | 111 | ||||
| 21 | R | 33 | Very low | 32.6 | Very low | 221 Ų | 221 | 149.4 Ų | 149.4 | 83% | 0.834 | 83% | 0.834 | S | S | * | * | trans | -80 | 153.1 | 165.4 | -85.2 | 176.9 | 162.9 | 173.4 | -5.8 | 109.4 | ||||
| 22 | S | 30.5 | Very low | 32.2 | Very low | 124 Ų | 124 | 152.7 Ų | 152.7 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | trans | -138.4 | 144 | 152.2 | -169.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 23 | T | 33.1 | Very low | 32.1 | Very low | 109 Ų | 109 | 152.9 Ų | 152.9 | 67% | 0.669 | 83% | 0.826 | S | S | * | * | trans | -150.7 | 122.8 | -172.6 | 49.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 24 | R | 29.6 | Very low | 32.2 | Very low | 238 Ų | 238 | 156.3 Ų | 156.3 | 90% | 0.898 | 82% | 0.823 | S | S | * | * | trans | -172.1 | 155.7 | 157.2 | -99.2 | 158 | -162.2 | -146.6 | 4.7 | 107.2 | ||||
| 25 | I | 31.3 | Very low | 31 | Very low | 140 Ų | 140 | 155.7 Ų | 155.7 | 72% | 0.718 | 82% | 0.82 | S | S | * | * | cis | 168.7 | 124.2 | -36.1 | -100.6 | 164.1 | 0 | 0 | 0 | 104.1 | ||||
| 26 | V | 31.1 | Very low | 30.6 | Very low | 142 Ų | 142 | 154 Ų | 154 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | 56.5 | 130.7 | 158.2 | 177.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 27 | G | 25.5 | Very low | 30.4 | Very low | 80 Ų | 80 | 154.3 Ų | 154.3 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -170.7 | 74.2 | 166.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 28 | A | 32 | Very low | 30.4 | Very low | 94 Ų | 94 | 155.2 Ų | 155.2 | 78% | 0.777 | 81% | 0.813 | S | S | * | * | trans | -92.8 | 136.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 29 | K | 33.7 | Very low | 30.2 | Very low | 210 Ų | 210 | 152.9 Ų | 152.9 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | trans | -143.4 | 130.3 | 164.1 | -71.3 | -167.3 | 176.6 | -178.6 | 0 | 111.3 | ||||
| 30 | N | 28.8 | Very low | 29.8 | Very low | 171 Ų | 171 | 151.9 Ų | 151.9 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | -81.1 | 151.1 | 169.2 | -78.4 | -30.5 | 0 | 0 | 0 | 111 | ||||
| 31 | S | 30 | Very low | 29.6 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 88% | 0.881 | 80% | 0.795 | S | S | * | * | trans | -143.1 | 153.5 | 150.2 | 61 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 32 | R | 29.3 | Very low | 29.2 | Very low | 209 Ų | 209 | 145.2 Ų | 145.2 | 79% | 0.789 | 80% | 0.795 | S | S | * | * | trans | -146.6 | 122.9 | -153.6 | 172.2 | -172.6 | 175.5 | 178.8 | 0.1 | 113.2 | ||||
| 33 | T | 31 | Very low | 29.2 | Very low | 135 Ų | 135 | 147 Ų | 147 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -157.9 | 120.5 | 165.2 | 21.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 34 | Q | 32 | Very low | 28.8 | Very low | 145 Ų | 145 | 152.3 Ų | 152.3 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | 54.1 | 133.7 | 51.4 | -66.9 | -163.9 | -28.9 | 0 | 0 | 113.1 | |||||
| 35 | C | 26.7 | Very low | 28.9 | Very low | 112 Ų | 112 | 146.8 Ų | 146.8 | 76% | 0.757 | 79% | 0.792 | S | S | * | * | cis | -158.5 | 177.9 | -5.2 | -120.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 36 | S | 25.5 | Very low | 28.9 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 74% | 0.741 | 80% | 0.797 | S | S | * | * | cis | -151.1 | 167.5 | 10.2 | -171.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 37 | I | 30 | Very low | 29.3 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | trans | -77.8 | 154.1 | 159 | -66.9 | 164.1 | 0 | 0 | 0 | 110.1 | D39 | I37-D39 VanDerWaalsContact CG2-OD2 3.23Å; I37-D39 WeakPolarHBondContact CG2-OD2 3.09Å | ||
| 38 | K | 28.1 | Very low | 29.6 | Very low | 207 Ų | 207 | 151.2 Ų | 151.2 | 90% | 0.9 | 79% | 0.792 | S | S | * | * | trans | -143.2 | 104.3 | 146.2 | -77.7 | -159.3 | 176.6 | -171.3 | 0 | 110.6 | ||||
| 39 | D | 27.6 | Very low | 29.3 | Very low | 139 Ų | 139 | 154 Ų | 154 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | trans | -69.6 | 162 | 159.6 | -59 | -77 | 0 | 0 | 0 | 110.5 | I37 | I37-D39 VanDerWaalsContact CG2-OD2 3.23Å; I37-D39 WeakPolarHBondContact CG2-OD2 3.09Å | ||
| 40 | N | 24.6 | Very low | 29 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -148.5 | 108.9 | 148.1 | -146 | 16.3 | 0 | 0 | 0 | 109.7 | ||||
| 41 | S | 28.8 | Very low | 29.1 | Very low | 86 Ų | 86 | 146.8 Ų | 146.8 | 60% | 0.601 | 77% | 0.773 | S | S | * | * | trans | -82.1 | 149.8 | 172.4 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 42 | F | 25.1 | Very low | 29.1 | Very low | 190 Ų | 190 | 149 Ų | 149 | 83% | 0.833 | 78% | 0.775 | S | S | * | * | trans | -152.5 | 123.3 | 138 | -106.1 | -70.5 | 0 | 0 | 0 | 110.2 | ||||
| 43 | Q | 29.7 | Very low | 29 | Very low | 161 Ų | 161 | 144.9 Ų | 144.9 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -83.8 | 154.6 | 164.6 | -63.1 | 167.4 | -78.6 | 0 | 0 | 109 | ||||
| 44 | Y | 25.7 | Very low | 28.7 | Very low | 220 Ų | 220 | 141.5 Ų | 141.5 | 86% | 0.863 | 77% | 0.77 | S | S | * | * | trans | -143.7 | 136.7 | 142.4 | -111.2 | -78.9 | 0 | 0 | 0 | 110.1 | ||||
| 45 | T | 31.2 | Very low | 28.6 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -88.6 | 159.1 | 174.6 | 36.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 46 | I | 30.1 | Very low | 28.6 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -118.6 | 125.9 | 170.1 | -61 | 179.3 | 0 | 0 | 0 | 107.3 | ||||
| 47 | P | 40 | Very low | 28.7 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | trans | -72 | 172.3 | 177.2 | -19 | 33.2 | 0 | 0 | 0 | 114.1 | ||||
| 48 | H | 31 | Very low | 28.5 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | trans | -119.9 | 138.6 | 173.4 | -164.1 | -68.2 | 0 | 0 | 0 | 107.4 | ||||
| 49 | D | 26.8 | Very low | 28.4 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -159.1 | 174.5 | 167.3 | -132.9 | -53.2 | 0 | 0 | 0 | 111.6 | ||||
| 50 | D | 27.9 | Very low | 28.4 | Very low | 130 Ų | 130 | 133 Ų | 133 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | trans | -105.5 | 164.2 | -137.6 | -110.8 | -33.2 | 0 | 0 | 0 | 119.7 | ||||
| 51 | S | 31 | Very low | 28.3 | Very low | 99 Ų | 99 | 131.5 Ų | 131.5 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | 59.1 | 129 | 150.2 | -70.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 52 | L | 28.1 | Very low | 28.1 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | -161.6 | 163.9 | 106.5 | -104.9 | 173.8 | 0 | 0 | 0 | 112.4 | |||||
| 53 | S | 28.8 | Very low | 29.1 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -103.4 | 162.9 | -163.1 | -49.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 54 | G | 24.6 | Very low | 28.8 | Very low | 65 Ų | 65 | 131.1 Ų | 131.1 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | 173.7 | 92.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 55 | S | 28.5 | Very low | 29.4 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | 51.9 | 137 | 147.1 | 47.5 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 56 | S | 26.9 | Very low | 29.2 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -162.8 | 165.1 | -0.8 | -86.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 57 | S | 27.6 | Very low | 29.2 | Very low | 107 Ų | 107 | 129.9 Ų | 129.9 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 27.9 | 108.9 | 154 | 57.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 58 | A | 26.4 | Very low | 28.7 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | 57.6 | 108.7 | 56.1 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 59 | S | 25.4 | Very low | 28.8 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | trans | -157.9 | 153.6 | 138.8 | -165.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 60 | S | 27.4 | Very low | 29.5 | Very low | 100 Ų | 100 | 122.7 Ų | 122.7 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -103.4 | 147.8 | 174.8 | 178.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 61 | C | 23.3 | Very low | 29.7 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | 176.8 | 145.4 | 123.7 | -88.8 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 62 | E | 23.6 | Very low | 30.3 | Very low | 169 Ų | 169 | 132.5 Ų | 132.5 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -86.1 | -172.4 | 160.3 | -70.4 | -95.8 | 139.2 | 0 | 0 | 108.9 | ||||
| 63 | P | 46.4 | Very low | 30.6 | Very low | 106 Ų | 106 | 132 Ų | 132 | 69% | 0.688 | 79% | 0.793 | S | S | * | * | -129.2 | 153 | -60.3 | 35.8 | -22.4 | 0 | 0 | 0 | 111.9 | |||||
| 64 | V | 24.3 | Very low | 31.1 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 93% | 0.933 | 78% | 0.778 | S | S | * | * | trans | -139.4 | 143.4 | 163.4 | -148.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 65 | S | 38 | Very low | 31.9 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -89.3 | 136.7 | 174.7 | -59 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 66 | D | 26.9 | Very low | 32.4 | Very low | 158 Ų | 158 | 135.1 Ų | 135.1 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -158.1 | 148.5 | 149.2 | -121.8 | -32.1 | 0 | 0 | 0 | 113 | ||||
| 67 | F | 30.1 | Very low | 33.2 | Very low | 208 Ų | 208 | 134.3 Ų | 134.3 | 91% | 0.912 | 76% | 0.756 | S | S | * | * | trans | -127.5 | 95.3 | -177.1 | -112.5 | -67.7 | 0 | 0 | 0 | 111.7 | ||||
| 68 | P | 30.2 | Very low | 34.2 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 65% | 0.649 | 74% | 0.741 | S | S | * | * | trans | -83.1 | 146.7 | 163.1 | -14.4 | 31.7 | 0 | 0 | 0 | 111.8 | ||||
| 69 | A | 31.6 | Very low | 35.2 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | trans | -89.4 | 158.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 70 | S | 43.5 | Very low | 35.8 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | trans | 73 | 43.4 | 150.7 | 75.3 | 0 | 0 | 0 | 0 | 120.3 | R72 | S70-R72 PolarHBondContact O-N 3.28Š| ||
| 71 | F | 31.7 | Very low | 37 | Very low | 191 Ų | 191 | 141.5 Ų | 141.5 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | trans | -61 | 125.1 | 168 | -74.1 | -79.8 | 0 | 0 | 0 | 113 | ||||
| 72 | R | 42.6 | Very low | 37.8 | Very low | 244 Ų | 244 | 147 Ų | 147 | 92% | 0.921 | 73% | 0.73 | S | S | * | * | trans | -72.1 | 133.8 | -171.3 | -64.3 | -176.4 | 179.1 | -164.7 | 0.3 | 111.9 | S70 S74 | S70-R72 PolarHBondContact O-N 3.28Å; R72-S74 PolarHBondContact O-N 3.41Å | ||
| 73 | K | 35.2 | Very low | 39.1 | Very low | 162 Ų | 162 | 144 Ų | 144 | 70% | 0.704 | 72% | 0.718 | S | S | * | * | trans | -71.2 | 115.3 | -178.9 | -49.8 | 174.9 | -179.8 | 172.8 | 0 | 111 | W77 | K73-W77 HydrophobicContact CB-CZ2 4.31Å; K73-W77 HydrophobicContact CD-CZ2 3.91Å; K73-W77 PolarHBondContact O-NE1 2.62Å | ||
| 74 | S | 38.6 | Very low | 38.7 | Very low | 78 Ų | 78 | 148 Ų | 148 | 55% | 0.545 | 73% | 0.725 | S | S | . | * | trans | -42.6 | 136 | -174.1 | 174.1 | 0 | 0 | 0 | 0 | 115.8 | R72 Y76 W77 | R72-S74 PolarHBondContact O-N 3.41Å; S74-Y76 PolarHBondContact O-N 2.59Å; S74-W77 PolarHBondContact O-N 3.39Å; S74-W77 PolarHBondContact O-NE1 3.29Å | ||
| 75 | T | 40.9 | Very low | 39.3 | Very low | 126 Ų | 126 | 146.2 Ų | 146.2 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -57.8 | -21.5 | -176.2 | 54.5 | 0 | 0 | 0 | 0 | 114.4 | ||
| 76 | Y | 39.4 | Very low | 39.1 | Very low | 167 Ų | 167 | 145.2 Ų | 145.2 | 66% | 0.655 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -62.2 | -42.8 | 178.1 | -171.7 | -101.7 | 0 | 0 | 0 | 113.7 | S74 M78 K79 M80 | S74-Y76 PolarHBondContact O-N 2.59Å; Y76-M78 PolarHBondContact O-N 3.05Å; Y76-K79 PolarHBondContact O-N 3.04Å; Y76-M80 HydrophobicContact CE1-CG 4.34Å; Y76-M80 PolarHBondContact O-N 3.23Å |
| 77 | W | 44.3 | Very low | 39.3 | Very low | 88 Ų | 88 | 142.8 Ų | 142.8 | 33% | 0.333 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -69.4 | -32.1 | -173.5 | 80.5 | -96 | 0 | 0 | 0 | 112.9 | K73 S74 | K73-W77 HydrophobicContact CB-CZ2 4.31Å; K73-W77 HydrophobicContact CD-CZ2 3.91Å; K73-W77 PolarHBondContact O-NE1 2.62Å; S74-W77 PolarHBondContact O-N 3.39Å; S74-W77 PolarHBondContact O-NE1 3.29Å |
| 78 | M | 49.1 | Very low | 39.4 | Very low | 88 Ų | 88 | 139.1 Ų | 139.1 | 43% | 0.433 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -67.7 | -43.1 | 176.8 | -69.5 | -169.5 | 173.5 | 0 | 0 | 111.3 | Y76 M80 R81 R82 | Y76-M78 PolarHBondContact O-N 3.05Å; M78-M80 PolarHBondContact O-N 3.27Å; M78-R81 PolarHBondContact O-N 3.29Å; M78-R82 PolarHBondContact O-N 2.99Å |
| 79 | K | 46.8 | Very low | 39.4 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 80% | 0.796 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -60.3 | -35.6 | -177.2 | -155.5 | 169 | -173.2 | 174.6 | 0 | 111.8 | Y76 R81 | Y76-K79 PolarHBondContact O-N 3.04Å; K79-R81 VanDerWaalsContact C-N 3.31Å; K79-R81 PolarHBondContact O-N 3.17Å |
| 80 | M | 37.7 | Very low | 39.1 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 69% | 0.685 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -20.4 | 176.4 | -68.9 | -68.6 | -83.5 | 0 | 0 | 114.5 | Y76 M78 | Y76-M80 HydrophobicContact CE1-CG 4.34Å; Y76-M80 PolarHBondContact O-N 3.23Å; M78-M80 PolarHBondContact O-N 3.27Å |
| 81 | R | 53.7 | Low | 38.3 | Very low | 179 Ų | 179 | 144.3 Ų | 144.3 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | -0.1 | -176.8 | -63.2 | -168.9 | -175 | -169 | 3.3 | 115.1 | M78 K79 I83 | M78-R81 PolarHBondContact O-N 3.29Å; K79-R81 VanDerWaalsContact C-N 3.31Å; K79-R81 PolarHBondContact O-N 3.17Å; R81-I83 HydrophobicContact CB-CD1 4.16Å; R81-I83 HydrophobicContact CB-CG1 4.11Å; R81-I83 PolarHBondContact O-N 2.9Å; R81-I83 VanDerWaalsContact O-N 3.14Å |
| 82 | R | 39.3 | Very low | 38.2 | Very low | 240 Ų | 240 | 143.1 Ų | 143.1 | 91% | 0.906 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.9 | 26.1 | -176.7 | -59.8 | -169.2 | -179.5 | -153.9 | 1.7 | 115.3 | M78 K84 | M78-R82 PolarHBondContact O-N 2.99Å; R82-K84 PolarHBondContact O-N 2.91Å |
| 83 | I | 50.5 | Low | 37.5 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 54% | 0.538 | 71% | 0.711 | S | S | . | * | P | Polyproline II helix | trans | -76.4 | 121.3 | 172.4 | -58.1 | 174.1 | 0 | 0 | 0 | 107.5 | R81 | R81-I83 HydrophobicContact CB-CD1 4.16Å; R81-I83 HydrophobicContact CB-CG1 4.11Å; R81-I83 PolarHBondContact O-N 2.9Å; R81-I83 VanDerWaalsContact O-N 3.14Å |
| 84 | K | 37.9 | Very low | 37 | Very low | 191 Ų | 191 | 133 Ų | 133 | 83% | 0.83 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 136.8 | 171.5 | -74.9 | -173.1 | 174.2 | -174.8 | 0 | 109.5 | R82 | R82-K84 PolarHBondContact O-N 2.91Š|
| 85 | P | 38.2 | Very low | 36.2 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 140 | 168.8 | 30.1 | -33.7 | 0 | 0 | 0 | 109.9 | ||
| 86 | A | 32.5 | Very low | 35.4 | Very low | 89 Ų | 89 | 130.8 Ų | 130.8 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 140.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 87 | A | 32.2 | Very low | 34.7 | Very low | 107 Ų | 107 | 129.4 Ų | 129.4 | 88% | 0.884 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 133.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 88 | T | 32.4 | Very low | 33.8 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -129.9 | 122.1 | 172.2 | 49.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 89 | S | 30.3 | Very low | 32.8 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -73.2 | 153.4 | 175.9 | 41.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 90 | H | 24.5 | Very low | 31.8 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | -94.9 | 128.8 | -178.8 | 178.6 | -90.7 | 0 | 0 | 0 | 110.9 | E92 | H90-E92 IonicContact CE1-OE2 2.83Š| ||
| 91 | V | 26.9 | Very low | 31.2 | Very low | 134 Ų | 134 | 128 Ų | 128 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | trans | -145.8 | 134.2 | 164.2 | -179.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 92 | E | 30.1 | Very low | 30 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | trans | -97.7 | 165.1 | 175.2 | -60.9 | 172.7 | 113.2 | 0 | 0 | 110.4 | H90 | H90-E92 IonicContact CE1-OE2 2.83Š| ||
| 93 | G | 26.1 | Very low | 29.4 | Very low | 72 Ų | 72 | 129.8 Ų | 129.8 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | 158.1 | 89.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 94 | S | 24.8 | Very low | 28.5 | Very low | 123 Ų | 123 | 133 Ų | 133 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -4.6 | 125 | 151.8 | 54.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 95 | G | 22.7 | Very low | 28.2 | Very low | 87 Ų | 87 | 129.6 Ų | 129.6 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | 79.4 | 139.3 | 113.9 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 96 | G | 24.2 | Very low | 27.6 | Very low | 70 Ų | 70 | 131.9 Ų | 131.9 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | 125.3 | 84.5 | 136.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 97 | V | 25.1 | Very low | 27.3 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | 68.2 | 142.2 | 129.5 | 174.2 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 98 | S | 25.3 | Very low | 27.1 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 76.4 | 153.4 | 159 | -81.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 99 | A | 27.6 | Very low | 26.8 | Very low | 76 Ų | 76 | 139.7 Ų | 139.7 | 63% | 0.628 | 79% | 0.786 | S | S | * | * | cis | -173.6 | 154.3 | -29 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 100 | K | 26.7 | Very low | 26.6 | Very low | 212 Ų | 212 | 140.4 Ų | 140.4 | 92% | 0.922 | 78% | 0.78 | S | S | * | * | trans | 64.3 | 147.9 | 167.6 | -60.9 | 166.6 | -177.6 | 170.2 | 0 | 116.8 | ||||
| 101 | G | 24.3 | Very low | 27 | Very low | 65 Ų | 65 | 140.8 Ų | 140.8 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | cis | 136.4 | 155.2 | -14.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 102 | K | 27.6 | Very low | 27.1 | Very low | 208 Ų | 208 | 140.5 Ų | 140.5 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | trans | 75.3 | 161.9 | 178.4 | -54.9 | -176.4 | 177.4 | -174 | 0 | 116.5 | ||||
| 103 | R | 27.6 | Very low | 27 | Very low | 248 Ų | 248 | 141.8 Ų | 141.8 | 94% | 0.936 | 78% | 0.775 | S | S | * | * | -176.3 | 160 | -57.4 | -110.3 | -175.7 | 176.6 | -172.8 | -0.8 | 108.7 | |||||
| 104 | K | 30.9 | Very low | 27.1 | Very low | 174 Ų | 174 | 147.3 Ų | 147.3 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | -64.9 | 161 | 171.7 | -115.8 | 174.9 | 179.3 | 179.6 | 0 | 112 | R106 | K104-R106 HydrophobicContact CD-CB 4.41Š| ||
| 105 | P | 32.9 | Very low | 27.2 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | -121.7 | 171.2 | 66.8 | 28.2 | -11.8 | 0 | 0 | 0 | 112.9 | |||||
| 106 | R | 25.7 | Very low | 27.5 | Very low | 165 Ų | 165 | 155.1 Ų | 155.1 | 62% | 0.623 | 77% | 0.77 | S | S | * | * | cis | 78.6 | 101.8 | 12.5 | -155.5 | -174.3 | -156.7 | -113.7 | 5.7 | 118.4 | K104 E108 | K104-R106 HydrophobicContact CD-CB 4.41Å; R106-E108 IonicContact CZ-OE1 3.08Å; R106-E108 IonicContact CZ-OE2 2.66Å; R106-E108 VanDerWaalsContact NH1-CD 3.25Å; R106-E108 IonicContact NH1-OE1 2.76Å; R106-E108 PolarHBondContact NH1-OE1 3.5Å; R106-E108 IonicContact NH1-OE2 2.81Å; R106-E108 PolarHBondContact NH1-OE2 3.18Å; R106-E108 IonicContact NH2-OE1 2.82Å; R106-E108 PolarHBondContact NH2-OE1 2.95Å; R106-E108 IonicContact NH2-OE2 2.64Å; R106-E108 PolarHBondContact NH2-OE2 2.95Å | ||
| 107 | Q | 25.2 | Very low | 27.7 | Very low | 183 Ų | 183 | 157.5 Ų | 157.5 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | trans | -134.4 | 147.9 | 149.6 | -171.4 | 164.4 | -7 | 0 | 0 | 107.6 | ||||
| 108 | E | 27.2 | Very low | 28 | Very low | 114 Ų | 114 | 160.3 Ų | 160.3 | 53% | 0.533 | 78% | 0.777 | S | S | . | * | trans | -111.7 | 149 | 171.9 | -70.1 | 159.1 | 138.6 | 0 | 0 | 107.5 | R106 | R106-E108 IonicContact CZ-OE1 3.08Å; R106-E108 IonicContact CZ-OE2 2.66Å; R106-E108 VanDerWaalsContact NH1-CD 3.25Å; R106-E108 IonicContact NH1-OE1 2.76Å; R106-E108 PolarHBondContact NH1-OE1 3.5Å; R106-E108 IonicContact NH1-OE2 2.81Å; R106-E108 PolarHBondContact NH1-OE2 3.18Å; R106-E108 IonicContact NH2-OE1 2.82Å; R106-E108 PolarHBondContact NH2-OE1 2.95Å; R106-E108 IonicContact NH2-OE2 2.64Å; R106-E108 PolarHBondContact NH2-OE2 2.95Å | ||
| 109 | E | 26.1 | Very low | 28.3 | Very low | 194 Ų | 194 | 164.8 Ų | 164.8 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | -147.5 | 166 | 128.8 | -65.7 | -158 | 159.7 | 0 | 0 | 107.2 | |||||
| 110 | D | 28 | Very low | 28.4 | Very low | 136 Ų | 136 | 170.8 Ų | 170.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | -135.2 | -169.3 | -129.7 | -150.2 | -18.8 | 0 | 0 | 0 | 113 | |||||
| 111 | E | 31.8 | Very low | 28.7 | Very low | 158 Ų | 158 | 170.4 Ų | 170.4 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | trans | 70.8 | 144.5 | 169.7 | -50.8 | -63.7 | -178.3 | 0 | 0 | 117.2 | ||||
| 112 | D | 28.9 | Very low | 29 | Very low | 129 Ų | 129 | 176.7 Ų | 176.7 | 69% | 0.69 | 80% | 0.804 | S | S | * | * | cis | -152.6 | 162.4 | -19.9 | -178.5 | 32.1 | 0 | 0 | 0 | 110.8 | ||||
| 113 | Y | 27.6 | Very low | 29.3 | Very low | 191 Ų | 191 | 175.3 Ų | 175.3 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | 81.5 | 151.6 | 154.3 | -127.3 | -103.3 | 0 | 0 | 0 | 122.1 | ||||
| 114 | R | 28.9 | Very low | 29.3 | Very low | 188 Ų | 188 | 173.8 Ų | 173.8 | 71% | 0.709 | 80% | 0.802 | S | S | * | * | trans | -103.6 | 154.3 | -158.9 | -49.9 | 172.6 | 176.3 | -167.9 | 0.9 | 112.7 | ||||
| 115 | E | 26.8 | Very low | 29.1 | Very low | 199 Ų | 199 | 169 Ų | 169 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | -151.2 | 165.4 | 117 | -127.6 | -173.9 | 169.1 | 0 | 0 | 113.7 | |||||
| 116 | F | 28.7 | Very low | 29 | Very low | 175 Ų | 175 | 174.8 Ų | 174.8 | 77% | 0.768 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 147.5 | -169.2 | -100.5 | -109.7 | 0 | 0 | 0 | 113.9 | ||
| 117 | P | 28.4 | Very low | 29.1 | Very low | 121 Ų | 121 | 176.6 Ų | 176.6 | 79% | 0.786 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 124.1 | -170.9 | 31.9 | -35.4 | 0 | 0 | 0 | 114.2 | ||
| 118 | Q | 31.3 | Very low | 29.4 | Very low | 196 Ų | 196 | 177 Ų | 177 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 132.4 | 167.1 | -67.4 | -162.5 | 4.8 | 0 | 0 | 112.7 | K120 | Q118-K120 PolarHBondContact O-N 3.21Š|
| 119 | K | 32 | Very low | 29.5 | Very low | 210 Ų | 210 | 183.3 Ų | 183.3 | 91% | 0.913 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 124.8 | -177.1 | -69.8 | 173.2 | 178.2 | 170.2 | 0 | 112.4 | ||
| 120 | K | 30 | Very low | 30 | Very low | 202 Ų | 202 | 179.5 Ų | 179.5 | 88% | 0.878 | 83% | 0.833 | S | S | * | * | trans | -129.4 | 134 | 150.6 | -71.6 | -174.5 | 179.1 | 175.2 | 0 | 109.7 | Q118 K122 | Q118-K120 PolarHBondContact O-N 3.21Å; K120-K122 PolarHBondContact O-N 3.45Å | ||
| 121 | H | 32.7 | Very low | 30.1 | Very low | 204 Ų | 204 | 182.5 Ų | 182.5 | 94% | 0.944 | 84% | 0.84 | S | S | * | * | trans | -58.2 | 127.2 | 174.9 | -94.2 | -168.2 | 0 | 0 | 0 | 110.4 | ||||
| 122 | K | 29.7 | Very low | 30 | Very low | 196 Ų | 196 | 181.1 Ų | 181.1 | 85% | 0.852 | 84% | 0.842 | S | S | * | * | trans | -119.1 | 123.1 | 159.5 | -83.3 | -172.8 | 174.2 | 179.2 | 0 | 109.4 | K120 | K120-K122 PolarHBondContact O-N 3.45Š| ||
| 123 | L | 34.7 | Very low | 30.3 | Very low | 180 Ų | 180 | 183.4 Ų | 183.4 | 94% | 0.942 | 85% | 0.849 | S | S | * | * | trans | -70.4 | 134.9 | 170.3 | -68.3 | 163.3 | 0 | 0 | 0 | 109.1 | ||||
| 124 | Y | 27.6 | Very low | 30.5 | Very low | 215 Ų | 215 | 179.7 Ų | 179.7 | 84% | 0.843 | 85% | 0.848 | S | S | * | * | trans | -115.5 | 138.8 | 161.1 | 56.8 | -87.9 | 0 | 0 | 0 | 108 | ||||
| 125 | G | 27.8 | Very low | 30.7 | Very low | 73 Ų | 73 | 177.9 Ų | 177.9 | 75% | 0.753 | 85% | 0.853 | S | S | * | * | cis | 106.4 | 27.6 | 12.8 | 0 | 0 | 0 | 0 | 0 | 113 | K127 | G125-K127 PolarHBondContact O-N 2.69Š| ||
| 126 | R | 29 | Very low | 31.2 | Very low | 242 Ų | 242 | 173.8 Ų | 173.8 | 91% | 0.913 | 84% | 0.843 | S | S | * | * | trans | -83.3 | 98.1 | 179.4 | -164.6 | 177.3 | -169.4 | -158.1 | 2.2 | 111.4 | ||||
| 127 | K | 29.2 | Very low | 31.4 | Very low | 203 Ų | 203 | 175 Ų | 175 | 88% | 0.883 | 85% | 0.848 | S | S | * | * | trans | -57.2 | 141.7 | 167.8 | -64.6 | -178.3 | 178.7 | -179.3 | 0 | 110.3 | G125 | G125-K127 PolarHBondContact O-N 2.69Š| ||
| 128 | Q | 31.1 | Very low | 31.7 | Very low | 190 Ų | 190 | 175 Ų | 175 | 89% | 0.888 | 85% | 0.851 | S | S | * | * | trans | -95.3 | 137.4 | 166.6 | -63.4 | -169.1 | 42.3 | 0 | 0 | 110.3 | ||||
| 129 | R | 29.1 | Very low | 32 | Very low | 248 Ų | 248 | 172.7 Ų | 172.7 | 94% | 0.936 | 84% | 0.84 | S | S | * | * | trans | -149.1 | 160.4 | 151.6 | -102.6 | -147.2 | 164.6 | -166.4 | -4.6 | 109.7 | ||||
| 130 | P | 37.7 | Very low | 32.1 | Very low | 113 Ų | 113 | 167 Ų | 167 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | trans | -98.5 | 171.8 | -137.5 | 37.5 | -39.3 | 0 | 0 | 0 | 114.6 | ||||
| 131 | K | 28.6 | Very low | 32.8 | Very low | 199 Ų | 199 | 169.1 Ų | 169.1 | 87% | 0.865 | 84% | 0.835 | S | S | * | * | trans | -155.5 | 126.6 | 150.4 | -113.1 | 166.1 | -175.3 | -179.9 | 0 | 113.6 | ||||
| 132 | T | 29.9 | Very low | 33.1 | Very low | 129 Ų | 129 | 169.2 Ų | 169.2 | 79% | 0.791 | 83% | 0.827 | S | S | * | * | trans | 65.2 | 121.2 | 146.8 | -37.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 133 | Q | 35.7 | Very low | 33.6 | Very low | 177 Ų | 177 | 167 Ų | 167 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 142.9 | 167.6 | -70.4 | -80.7 | 15.4 | 0 | 0 | 112.5 | ||
| 134 | P | 32.8 | Very low | 33.8 | Very low | 114 Ų | 114 | 170 Ų | 170 | 74% | 0.74 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 134.8 | 159.4 | -8.7 | 26.9 | 0 | 0 | 0 | 111.7 | ||
| 135 | N | 31.3 | Very low | 34.6 | Very low | 150 Ų | 150 | 168.8 Ų | 168.8 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 128.9 | 178.9 | -174.4 | 11.1 | 0 | 0 | 0 | 112.2 | ||
| 136 | P | 38.5 | Very low | 35.2 | Very low | 113 Ų | 113 | 173.7 Ų | 173.7 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 131.3 | 177.6 | 26.6 | -35.8 | 0 | 0 | 0 | 112.9 | ||
| 137 | K | 33.4 | Very low | 36.3 | Very low | 201 Ų | 201 | 166.6 Ų | 166.6 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 141.2 | 169.4 | -68.4 | -172.8 | 176.7 | -174.5 | 0 | 110.8 | Q139 | K137-Q139 PolarHBondContact O-N 3Š|
| 138 | S | 32.8 | Very low | 37.8 | Very low | 121 Ų | 121 | 160.3 Ų | 160.3 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 119.1 | -179.7 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 139 | Q | 39.5 | Very low | 39.1 | Very low | 146 Ų | 146 | 158.1 Ų | 158.1 | 68% | 0.682 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 137.3 | 164.8 | -70.6 | -169.8 | -0.9 | 0 | 0 | 109.8 | K137 | K137-Q139 PolarHBondContact O-N 3Š|
| 140 | A | 32.2 | Very low | 40.9 | Very low | 92 Ų | 92 | 149.1 Ų | 149.1 | 76% | 0.76 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 157.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R142 | A140-R142 PolarHBondContact O-N 2.92Š|
| 141 | R | 44.7 | Very low | 42.3 | Very low | 246 Ų | 246 | 147.3 Ų | 147.3 | 93% | 0.928 | 75% | 0.749 | S | S | * | * | trans | -40.6 | 110.1 | -175.9 | -68.9 | -178.5 | 175.4 | -167.3 | -1.5 | 112.6 | I143 | R141-I143 PolarHBondContact O-N 3.02Š| ||
| 142 | R | 40.7 | Very low | 43.7 | Very low | 205 Ų | 205 | 142.6 Ų | 142.6 | 77% | 0.774 | 75% | 0.748 | S | S | * | * | trans | -75.2 | 109.5 | 160.3 | -67.5 | -172 | -173.7 | -136.6 | 2.1 | 107.7 | A140 R144 | A140-R142 PolarHBondContact O-N 2.92Å; R142-R144 PolarHBondContact O-N 3.35Å | ||
| 143 | I | 39.2 | Very low | 45.3 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | -58.5 | 124.6 | 166.7 | -64.1 | 169.4 | 0 | 0 | 0 | 107.2 | R141 K145 | R141-I143 PolarHBondContact O-N 3.02Å; I143-K145 PolarHBondContact O-N 3.03Å | ||
| 144 | R | 38.4 | Very low | 47.3 | Very low | 243 Ų | 243 | 132.1 Ų | 132.1 | 92% | 0.917 | 71% | 0.709 | S | S | * | * | trans | -70.4 | 100.3 | 173.6 | -157.5 | -177.7 | -167.2 | -164.9 | 3.5 | 107 | R142 | R142-R144 PolarHBondContact O-N 3.35Š| ||
| 145 | K | 44.9 | Very low | 49.3 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 143.2 | 160.3 | -70.7 | -164.4 | 172.4 | -164.5 | 0 | 107.8 | I143 | I143-K145 PolarHBondContact O-N 3.03Š|
| 146 | E | 41.1 | Very low | 51.5 | Low | 176 Ų | 176 | 125.9 Ų | 125.9 | 82% | 0.822 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 153.1 | 176.8 | -66.8 | 173.2 | 119.9 | 0 | 0 | 110.9 | ||
| 147 | P | 51.9 | Low | 53.6 | Low | 93 Ų | 93 | 123.3 Ų | 123.3 | 60% | 0.604 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 134.1 | 172.9 | -18.7 | 31.9 | 0 | 0 | 0 | 109.9 | V149 | P147-V149 PolarHBondContact O-N 3.45Š|
| 148 | P | 59.4 | Low | 55.8 | Low | 71 Ų | 71 | 119.2 Ų | 119.2 | 46% | 0.461 | 63% | 0.629 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 124.2 | 168.4 | -18.1 | 30.9 | 0 | 0 | 0 | 109.2 | Y150 | P148-Y150 HydrophobicContact CB-CD2 4.45Å; P148-Y150 HydrophobicContact CB-CE2 3.79Å; P148-Y150 HydrophobicContact CG-CE2 4.29Å; P148-Y150 WeakPolarHBondContact O-CD2 3.41Å; P148-Y150 PolarHBondContact O-N 3.06Å |
| 149 | V | 59.3 | Low | 58.4 | Low | 144 Ų | 144 | 114.5 Ų | 114.5 | 87% | 0.873 | 59% | 0.593 | S | S | * | * | trans | -76.5 | 93.7 | 178 | -176.7 | 0 | 0 | 0 | 0 | 108.5 | P147 | P147-V149 PolarHBondContact O-N 3.45Š| ||
| 150 | Y | 66.9 | Low | 60.4 | Low | 60 Ų | 60 | 111.6 Ų | 111.6 | 24% | 0.235 | 58% | 0.576 | C | S | . | * | P | Polyproline II helix | trans | -76.4 | 151.5 | 164.2 | -58 | -73.5 | 0 | 0 | 0 | 109.2 | P148 E156 Y160 I182 | P148-Y150 HydrophobicContact CB-CD2 4.45Å; P148-Y150 HydrophobicContact CB-CE2 3.79Å; P148-Y150 HydrophobicContact CG-CE2 4.29Å; P148-Y150 WeakPolarHBondContact O-CD2 3.41Å; P148-Y150 PolarHBondContact O-N 3.06Å; Y150-E156 HydrophobicContact CD1-CB 3.99Å; Y150-E156 HydrophobicContact CE1-CB 4.27Å; Y150-Y160 HydrophobicContact CD2-CD2 4.49Å; Y150-Y160 HydrophobicContact CD2-CG 4.41Å; Y150-Y160 AromaticContact CE2-CD2 3.77Å; Y150-Y160 HydrophobicContact CE2-CD2 3.77Å; Y150-Y160 HydrophobicContact CE2-CE2 4.38Å; Y150-Y160 HydrophobicContact CE2-CG 4.12Å; Y150-I182 HydrophobicContact CE1-CD1 4.24Å; Y150-I182 HydrophobicContact CE2-CD1 3.88Å; Y150-I182 WeakPolarHBondContact OH-CD1 3.42Å |
| 151 | A | 67.6 | Low | 62.8 | Low | 74 Ų | 74 | 112.1 Ų | 112.1 | 61% | 0.612 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 134.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | G153 S154 | A151-G153 PolarHBondContact O-N 2.77Å; A151-S154 WeakPolarHBondContact O-CB 3.37Å; A151-S154 PolarHBondContact O-N 2.94Å |
| 152 | A | 56.7 | Low | 64.6 | Low | 100 Ų | 100 | 103 Ų | 103 | 83% | 0.826 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 123.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E157 | A152-E157 WeakPolarHBondContact CA-OE2 3.5Š|
| 153 | G | 63.7 | Low | 66.8 | Low | 59 Ų | 59 | 94.5 Ų | 94.5 | 61% | 0.608 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | 2.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A151 E157 | A151-G153 PolarHBondContact O-N 2.77Å; G153-E157 PolarHBondContact N-OE2 2.97Å |
| 154 | S | 78.1 | Confident | 68.9 | Low | 27 Ų | 27 | 92.1 Ų | 92.1 | 19% | 0.189 | 50% | 0.495 | C | S | . | . | trans | -64.5 | 146.4 | 175 | 160.4 | 0 | 0 | 0 | 0 | 112.4 | A151 E156 E157 Q158 | A151-S154 WeakPolarHBondContact O-CB 3.37Å; A151-S154 PolarHBondContact O-N 2.94Å; S154-E156 PolarHBondContact O-N 3.25Å; S154-E156 WeakPolarHBondContact OG-CB 3.49Å; S154-E156 PolarHBondContact OG-N 2.97Å; S154-E156 PolarHBondContact OG-OE2 2.86Å; S154-E157 WeakPolarHBondContact O-CB 3.41Å; S154-E157 PolarHBondContact O-N 3.04Å; S154-Q158 PolarHBondContact O-N 3.03Å | ||
| 155 | L | 73.8 | Confident | 71.1 | Confident | 87 Ų | 87 | 86.6 Ų | 86.6 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -34.4 | 171.9 | -173.7 | 63.7 | 0 | 0 | 0 | 111.9 | Q158 W159 | L155-Q158 PolarHBondContact O-N 3.36Å; L155-W159 HydrophobicContact CD1-CZ2 4.1Å; L155-W159 HydrophobicContact CD2-CH2 3.66Å; L155-W159 HydrophobicContact CD2-CZ2 3.47Å; L155-W159 VanDerWaalsContact CD2-CZ2 3.47Å; L155-W159 HydrophobicContact CG-CD2 4.23Å; L155-W159 HydrophobicContact CG-CH2 3.89Å; L155-W159 HydrophobicContact CG-CZ2 3.51Å; L155-W159 HydrophobicContact CG-CZ3 4.4Å; L155-W159 PolarHBondContact O-N 3.45Å |
| 156 | E | 79.1 | Confident | 72.8 | Confident | 47 Ų | 47 | 83.6 Ų | 83.6 | 22% | 0.22 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -66.6 | -32.4 | 171.4 | -70.7 | 92.9 | 161.2 | 0 | 0 | 113.4 | Y150 S154 W159 Y160 I182 K186 | Y150-E156 HydrophobicContact CD1-CB 3.99Å; Y150-E156 HydrophobicContact CE1-CB 4.27Å; S154-E156 PolarHBondContact O-N 3.25Å; S154-E156 WeakPolarHBondContact OG-CB 3.49Å; S154-E156 PolarHBondContact OG-N 2.97Å; S154-E156 PolarHBondContact OG-OE2 2.86Å; E156-W159 HydrophobicContact CG-CE3 4.13Å; E156-W159 HydrophobicContact CG-CZ3 4.22Å; E156-W159 PolarHBondContact O-N 3.35Å; E156-Y160 PolarHBondContact O-N 3.25Å; E156-I182 HydrophobicContact CB-CG2 4.19Å; E156-I182 HydrophobicContact CG-CG2 3.83Å; E156-I182 WeakPolarHBondContact O-CD1 3.38Å; E156-K186 IonicContact OE1-NZ 3.41Å; E156-K186 PolarHBondContact OE1-NZ 3.04Å |
| 157 | E | 82.4 | Confident | 74.7 | Confident | 59 Ų | 59 | 77 Ų | 77 | 28% | 0.276 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.1 | -43.7 | 173.1 | -174.4 | -174.9 | -145.8 | 0 | 0 | 111.1 | A152 G153 S154 W159 Y160 L161 | A152-E157 WeakPolarHBondContact CA-OE2 3.5Å; G153-E157 PolarHBondContact N-OE2 2.97Å; S154-E157 WeakPolarHBondContact O-CB 3.41Å; S154-E157 PolarHBondContact O-N 3.04Å; E157-W159 VanDerWaalsContact C-N 3.27Å; E157-W159 PolarHBondContact O-N 3.49Å; E157-Y160 WeakPolarHBondContact O-CA 3.34Å; E157-Y160 VanDerWaalsContact O-CB 3.29Å; E157-Y160 WeakPolarHBondContact O-CB 3.47Å; E157-Y160 PolarHBondContact O-N 3.03Å; E157-L161 HydrophobicContact CG-CD1 4.31Å; E157-L161 WeakPolarHBondContact O-CG 3.4Å; E157-L161 PolarHBondContact O-N 3.05Å |
| 158 | Q | 79.2 | Confident | 76.2 | Confident | 114 Ų | 114 | 74.6 Ų | 74.6 | 53% | 0.533 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.4 | -41.4 | 174.3 | -66 | 178.6 | -4.9 | 0 | 0 | 111.4 | S154 L155 E162 | S154-Q158 PolarHBondContact O-N 3.03Å; L155-Q158 PolarHBondContact O-N 3.36Å; Q158-E162 WeakPolarHBondContact O-CB 3.29Å; Q158-E162 PolarHBondContact O-N 3.05Å |
| 159 | W | 86.4 | Confident | 77.4 | Confident | 23 Ų | 23 | 71.2 Ų | 71.2 | 9% | 0.087 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -68.3 | -33.4 | 172.8 | -63.1 | -20.1 | 0 | 0 | 0 | 113.3 | L155 E156 E157 I163 V169 P172 I182 L185 M189 | L155-W159 HydrophobicContact CD1-CZ2 4.1Å; L155-W159 HydrophobicContact CD2-CH2 3.66Å; L155-W159 HydrophobicContact CD2-CZ2 3.47Å; L155-W159 VanDerWaalsContact CD2-CZ2 3.47Å; L155-W159 HydrophobicContact CG-CD2 4.23Å; L155-W159 HydrophobicContact CG-CH2 3.89Å; L155-W159 HydrophobicContact CG-CZ2 3.51Å; L155-W159 HydrophobicContact CG-CZ3 4.4Å; L155-W159 PolarHBondContact O-N 3.45Å; E156-W159 HydrophobicContact CG-CE3 4.13Å; E156-W159 HydrophobicContact CG-CZ3 4.22Å; E156-W159 PolarHBondContact O-N 3.35Å; E157-W159 VanDerWaalsContact C-N 3.27Å; E157-W159 PolarHBondContact O-N 3.49Å; W159-I163 WeakPolarHBondContact O-CB 3.39Å; W159-I163 WeakPolarHBondContact O-CD1 3.27Å; W159-I163 WeakPolarHBondContact O-CG1 3.06Å; W159-I163 PolarHBondContact O-N 3.21Å; W159-V169 HydrophobicContact CB-CB 4.46Å; W159-V169 HydrophobicContact CB-CG1 4.42Å; W159-V169 HydrophobicContact CB-CG2 4.12Å; W159-V169 HydrophobicContact CG-CG2 3.85Å; W159-P172 HydrophobicContact CZ2-CG 4.34Å; W159-I182 HydrophobicContact CB-CG1 4.35Å; W159-I182 HydrophobicContact CE3-CG2 4.28Å; W159-L185 HydrophobicContact CD2-CD2 3.58Å; W159-L185 HydrophobicContact CE3-CD2 3.78Å; W159-L185 HydrophobicContact CG-CD2 4.08Å; W159-L185 HydrophobicContact CH2-CD2 4.19Å; W159-L185 HydrophobicContact CZ2-CD2 4Å; W159-L185 HydrophobicContact CZ3-CD2 4.09Å; W159-M189 HydrophobicContact CH2-CE 3.78Å; W159-M189 HydrophobicContact CH2-SD 3.46Å; W159-M189 WeakPolarHBondContact CH2-SD 3.38Å; W159-M189 HydrophobicContact CZ2-CE 4.08Å; W159-M189 HydrophobicContact CZ2-SD 3.85Å; W159-M189 HydrophobicContact CZ3-SD 4.23Å |
| 160 | Y | 81.6 | Confident | 78.7 | Confident | 84 Ų | 84 | 67 Ų | 67 | 33% | 0.329 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.9 | -51.6 | 173.1 | -171.8 | -101.6 | 0 | 0 | 0 | 110.7 | Y150 E156 E157 E162 I163 V164 I182 | Y150-Y160 HydrophobicContact CD2-CD2 4.49Å; Y150-Y160 HydrophobicContact CD2-CG 4.41Å; Y150-Y160 AromaticContact CE2-CD2 3.77Å; Y150-Y160 HydrophobicContact CE2-CD2 3.77Å; Y150-Y160 HydrophobicContact CE2-CE2 4.38Å; Y150-Y160 HydrophobicContact CE2-CG 4.12Å; E156-Y160 PolarHBondContact O-N 3.25Å; E157-Y160 WeakPolarHBondContact O-CA 3.34Å; E157-Y160 VanDerWaalsContact O-CB 3.29Å; E157-Y160 WeakPolarHBondContact O-CB 3.47Å; E157-Y160 PolarHBondContact O-N 3.03Å; Y160-E162 PolarHBondContact O-N 2.84Å; Y160-I163 PolarHBondContact O-N 2.78Å; Y160-V164 HydrophobicContact CD1-CG2 4.2Å; Y160-V164 HydrophobicContact CE1-CG2 3.9Å; Y160-V164 WeakPolarHBondContact O-CG2 3.44Å; Y160-V164 PolarHBondContact O-N 3.09Å; Y160-I182 HydrophobicContact CD2-CD1 3.96Å; Y160-I182 HydrophobicContact CG-CD1 4.4Å |
| 161 | L | 83.9 | Confident | 79.4 | Confident | 103 Ų | 103 | 64.2 Ų | 64.2 | 54% | 0.539 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 179.5 | -64.9 | 170.9 | 0 | 0 | 0 | 111.4 | E157 I163 V164 D165 | E157-L161 HydrophobicContact CG-CD1 4.31Å; E157-L161 WeakPolarHBondContact O-CG 3.4Å; E157-L161 PolarHBondContact O-N 3.05Å; L161-I163 PolarHBondContact O-N 3.34Å; L161-V164 PolarHBondContact O-N 2.72Å; L161-D165 WeakPolarHBondContact O-CB 3.18Å; L161-D165 PolarHBondContact O-N 3.26Å |
| 162 | E | 82.9 | Confident | 79.9 | Confident | 54 Ų | 54 | 64 Ų | 64 | 25% | 0.252 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67.5 | -33.2 | 175.1 | -174.3 | 167.1 | -123 | 0 | 0 | 113.3 | Q158 Y160 V164 K166 V169 | Q158-E162 WeakPolarHBondContact O-CB 3.29Å; Q158-E162 PolarHBondContact O-N 3.05Å; Y160-E162 PolarHBondContact O-N 2.84Å; E162-V164 VanDerWaalsContact C-N 3.35Å; E162-K166 HydrophobicContact CG-CB 4.47Å; E162-K166 HydrophobicContact CG-CD 3.8Å; E162-K166 HydrophobicContact CG-CG 4.18Å; E162-K166 WeakPolarHBondContact O-CB 3.35Å; E162-K166 PolarHBondContact O-N 2.74Å; E162-K166 WeakPolarHBondContact OE1-CE 3.17Å; E162-K166 IonicContact OE1-NZ 3.2Å; E162-K166 PolarHBondContact OE1-NZ 3.36Å; E162-V169 WeakPolarHBondContact OE2-CG2 3.49Å |
| 163 | I | 85.4 | Confident | 80.4 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 14% | 0.144 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.5 | -37.8 | 171.3 | -71.4 | 161.7 | 0 | 0 | 0 | 111.1 | W159 Y160 L161 G167 V169 I182 | W159-I163 WeakPolarHBondContact O-CB 3.39Å; W159-I163 WeakPolarHBondContact O-CD1 3.27Å; W159-I163 WeakPolarHBondContact O-CG1 3.06Å; W159-I163 PolarHBondContact O-N 3.21Å; Y160-I163 PolarHBondContact O-N 2.78Å; L161-I163 PolarHBondContact O-N 3.34Å; I163-G167 CarbonylContact O-C 3.55Å; I163-G167 WeakPolarHBondContact O-CA 3.43Å; I163-G167 PolarHBondContact O-N 3.44Å; I163-V169 HydrophobicContact CD1-CB 4.46Å; I163-V169 HydrophobicContact CD1-CG1 3.64Å; I163-V169 HydrophobicContact CG1-CB 3.93Å; I163-V169 HydrophobicContact CG1-CG1 3.57Å; I163-I182 HydrophobicContact CD1-CG1 3.75Å |
| 164 | V | 83.6 | Confident | 80.7 | Confident | 99 Ų | 99 | 59.9 Ų | 59.9 | 60% | 0.6 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -70.3 | -43.7 | 179.4 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | Y160 L161 E162 | Y160-V164 HydrophobicContact CD1-CG2 4.2Å; Y160-V164 HydrophobicContact CE1-CG2 3.9Å; Y160-V164 WeakPolarHBondContact O-CG2 3.44Å; Y160-V164 PolarHBondContact O-N 3.09Å; L161-V164 PolarHBondContact O-N 2.72Å; E162-V164 VanDerWaalsContact C-N 3.35Å |
| 165 | D | 84.4 | Confident | 80.4 | Confident | 127 Ų | 127 | 65.7 Ų | 65.7 | 68% | 0.679 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -71.5 | -55.5 | 178.4 | 177.3 | 58.7 | 0 | 0 | 0 | 112.5 | L161 | L161-D165 WeakPolarHBondContact O-CB 3.18Å; L161-D165 PolarHBondContact O-N 3.26Å |
| 166 | K | 81.8 | Confident | 80.3 | Confident | 127 Ų | 127 | 65 Ų | 65 | 55% | 0.552 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -99.3 | -3.7 | -168.8 | -50 | -175.5 | -166.9 | 162.9 | 0 | 113.7 | E162 S168 | E162-K166 HydrophobicContact CG-CB 4.47Å; E162-K166 HydrophobicContact CG-CD 3.8Å; E162-K166 HydrophobicContact CG-CG 4.18Å; E162-K166 WeakPolarHBondContact O-CB 3.35Å; E162-K166 PolarHBondContact O-N 2.74Å; E162-K166 WeakPolarHBondContact OE1-CE 3.17Å; E162-K166 IonicContact OE1-NZ 3.2Å; E162-K166 PolarHBondContact OE1-NZ 3.36Å; K166-S168 PolarHBondContact O-N 3.43Å |
| 167 | G | 80 | Confident | 80.1 | Confident | 36 Ų | 36 | 64.6 Ų | 64.6 | 37% | 0.371 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 73.2 | -3.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | I163 K180 | I163-G167 CarbonylContact O-C 3.55Å; I163-G167 WeakPolarHBondContact O-CA 3.43Å; I163-G167 PolarHBondContact O-N 3.44Å; G167-K180 WeakPolarHBondContact O-CG 3.49Å |
| 168 | S | 83.4 | Confident | 80 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 31% | 0.308 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -169.6 | 139.9 | 171.1 | 58.5 | 0 | 0 | 0 | 0 | 112.6 | K166 R179 | K166-S168 PolarHBondContact O-N 3.43Å; S168-R179 CarbonylContact C-O 3.55Å; S168-R179 WeakPolarHBondContact CA-O 3.46Å; S168-R179 VanDerWaalsContact CB-O 3.27Å; S168-R179 WeakPolarHBondContact CB-O 3.35Å |
| 169 | V | 85.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.4 | 168.9 | 54.3 | 0 | 0 | 0 | 0 | 110.8 | W159 E162 I163 G178 R179 L185 | W159-V169 HydrophobicContact CB-CB 4.46Å; W159-V169 HydrophobicContact CB-CG1 4.42Å; W159-V169 HydrophobicContact CB-CG2 4.12Å; W159-V169 HydrophobicContact CG-CG2 3.85Å; E162-V169 WeakPolarHBondContact OE2-CG2 3.49Å; I163-V169 HydrophobicContact CD1-CB 4.46Å; I163-V169 HydrophobicContact CD1-CG1 3.64Å; I163-V169 HydrophobicContact CG1-CB 3.93Å; I163-V169 HydrophobicContact CG1-CG1 3.57Å; V169-G178 CarbonylContact O-C 3.42Å; V169-G178 VanDerWaalsContact O-CA 3.31Å; V169-G178 WeakPolarHBondContact O-CA 3.4Å; V169-R179 PolarHBondContact N-O 3.03Å; V169-R179 PolarHBondContact O-N 2.93Å; V169-L185 HydrophobicContact CG1-CB 4.33Å; V169-L185 HydrophobicContact CG1-CD1 4.16Å; V169-L185 HydrophobicContact CG1-CD2 3.81Å; V169-L185 HydrophobicContact CG1-CG 4.32Å; V169-L185 HydrophobicContact CG2-CD2 3.81Å |
| 170 | S | 85.8 | Confident | 80.1 | Confident | 56 Ų | 56 | 70.3 Ų | 70.3 | 39% | 0.392 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 139 | 172.9 | 59 | 0 | 0 | 0 | 0 | 112 | ||
| 171 | C | 81.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 121.8 | 176.1 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | T173 C174 Q175 V177 L185 H188 | C171-T173 PolarHBondContact O-N 2.81Å; C171-C174 PolarHBondContact O-N 3.33Å; C171-Q175 WeakPolarHBondContact O-CA 3.31Å; C171-Q175 PolarHBondContact O-N 2.77Å; C171-V177 PolarHBondContact N-O 3.06Å; C171-L185 HydrophobicContact CB-CD1 4.05Å; C171-H188 VanDerWaalsContact CB-CD2 3.49Å; C171-H188 WeakPolarHBondContact CB-CD2 3.41Å; C171-H188 WeakPolarHBondContact CB-NE2 3.1Å; C171-H188 PolarHBondContact SG-NE2 3.39Å; C171-H188 VanDerWaalsContact SG-NE2 3.44Å |
| 172 | P | 77.5 | Confident | 80.1 | Confident | 70 Ų | 70 | 65.4 Ų | 65.4 | 46% | 0.455 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -30.7 | -179.1 | 24.7 | -34 | 0 | 0 | 0 | 112.3 | W159 M189 | W159-P172 HydrophobicContact CZ2-CG 4.34Å; P172-M189 HydrophobicContact CG-CE 4.11Å |
| 173 | T | 68.4 | Low | 80.2 | Confident | 44 Ų | 44 | 67.9 Ų | 67.9 | 27% | 0.27 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -31.5 | -175.4 | -41.8 | 0 | 0 | 0 | 0 | 113.9 | C171 C192 Q194 | C171-T173 PolarHBondContact O-N 2.81Å; T173-C192 WeakPolarHBondContact CG2-O 3.33Å; T173-Q194 HydrophobicContact CG2-CB 4.17Å; T173-Q194 HydrophobicContact CG2-CG 4.39Å; T173-Q194 PolarHBondContact O-NE2 2.96Å; T173-Q194 PolarHBondContact O-OE1 3.46Å |
| 174 | C | 70 | Confident | 80 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 19% | 0.189 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | -15.1 | -178.1 | 77.1 | 0 | 0 | 0 | 0 | 116.1 | C171 A176 H188 | C171-C174 PolarHBondContact O-N 3.33Å; C174-A176 PolarHBondContact O-N 3.21Å; C174-H188 PolarHBondContact SG-NE2 3.32Å; C174-H188 VanDerWaalsContact SG-NE2 3.36Å |
| 175 | Q | 72.3 | Confident | 80 | Confident | 149 Ų | 149 | 62.8 Ų | 62.8 | 70% | 0.696 | 36% | 0.358 | S | S | * | . | S | Bend | trans | 55.7 | -17.2 | -179.4 | -60.7 | 177.2 | 0.8 | 0 | 0 | 116.9 | C171 V177 | C171-Q175 WeakPolarHBondContact O-CA 3.31Å; C171-Q175 PolarHBondContact O-N 2.77Å; Q175-V177 VanDerWaalsContact C-N 3.34Å; Q175-V177 PolarHBondContact O-N 3.4Å |
| 176 | A | 71.2 | Confident | 79.9 | Confident | 72 Ų | 72 | 61.5 Ų | 61.5 | 60% | 0.595 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -83.8 | -0.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | C174 | C174-A176 PolarHBondContact O-N 3.21Š|
| 177 | V | 73.6 | Confident | 79.8 | Confident | 40 Ų | 40 | 62 Ų | 62 | 24% | 0.242 | 35% | 0.349 | C | S | . | . | trans | -127.2 | 104.9 | -178.4 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | C171 Q175 R179 | C171-V177 PolarHBondContact N-O 3.06Å; Q175-V177 VanDerWaalsContact C-N 3.34Å; Q175-V177 PolarHBondContact O-N 3.4Å; V177-R179 HydrophobicContact CG1-CG 4.24Å | ||
| 178 | G | 81.6 | Confident | 79.8 | Confident | 43 Ų | 43 | 61.7 Ų | 61.7 | 44% | 0.443 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 139.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V169 | V169-G178 CarbonylContact O-C 3.42Å; V169-G178 VanDerWaalsContact O-CA 3.31Å; V169-G178 WeakPolarHBondContact O-CA 3.4Å |
| 179 | R | 82.4 | Confident | 79.6 | Confident | 109 Ų | 109 | 62.1 Ų | 62.1 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 145.4 | 177.7 | -65.4 | -63.6 | -167.5 | -160.5 | 1.9 | 111.1 | S168 V169 V177 G184 L185 | S168-R179 CarbonylContact C-O 3.55Å; S168-R179 WeakPolarHBondContact CA-O 3.46Å; S168-R179 VanDerWaalsContact CB-O 3.27Å; S168-R179 WeakPolarHBondContact CB-O 3.35Å; V169-R179 PolarHBondContact N-O 3.03Å; V169-R179 PolarHBondContact O-N 2.93Å; V177-R179 HydrophobicContact CG1-CG 4.24Å; R179-G184 WeakPolarHBondContact CG-O 3.47Å; R179-L185 HydrophobicContact CB-CB 4.23Å; R179-L185 HydrophobicContact CB-CD1 4.11Å; R179-L185 HydrophobicContact CG-CD1 4.09Å |
| 180 | K | 84.1 | Confident | 78.9 | Confident | 164 Ų | 164 | 67.6 Ų | 67.6 | 71% | 0.713 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -97.4 | 4.4 | -175.9 | -52.8 | -160.8 | 172.8 | -165.5 | 0 | 114 | G167 | G167-K180 WeakPolarHBondContact O-CG 3.49Š|
| 181 | T | 84.9 | Confident | 77.9 | Confident | 75 Ų | 75 | 71.8 Ų | 71.8 | 46% | 0.46 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -147.2 | 148.2 | 178.4 | 58 | 0 | 0 | 0 | 0 | 109 | G184 L185 | T181-G184 PolarHBondContact O-N 3.29Å; T181-G184 PolarHBondContact OG1-N 3.41Å; T181-L185 PolarHBondContact O-N 3.23Å |
| 182 | I | 82.4 | Confident | 77.4 | Confident | 8 Ų | 8 | 72.7 Ų | 72.7 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.3 | -39.9 | -177.1 | -65.3 | 162.4 | 0 | 0 | 0 | 110.2 | Y150 E156 W159 Y160 I163 G184 L185 K186 | Y150-I182 HydrophobicContact CE1-CD1 4.24Å; Y150-I182 HydrophobicContact CE2-CD1 3.88Å; Y150-I182 WeakPolarHBondContact OH-CD1 3.42Å; E156-I182 HydrophobicContact CB-CG2 4.19Å; E156-I182 HydrophobicContact CG-CG2 3.83Å; E156-I182 WeakPolarHBondContact O-CD1 3.38Å; W159-I182 HydrophobicContact CB-CG1 4.35Å; W159-I182 HydrophobicContact CE3-CG2 4.28Å; Y160-I182 HydrophobicContact CD2-CD1 3.96Å; Y160-I182 HydrophobicContact CG-CD1 4.4Å; I163-I182 HydrophobicContact CD1-CG1 3.75Å; I182-G184 PolarHBondContact O-N 2.77Å; I182-L185 CarbonylContact O-C 3.57Å; I182-L185 WeakPolarHBondContact O-CA 3.38Å; I182-L185 WeakPolarHBondContact O-CB 3.49Å; I182-L185 PolarHBondContact O-N 3.3Å; I182-K186 WeakPolarHBondContact O-CB 3.46Å; I182-K186 PolarHBondContact O-N 3.23Å |
| 183 | E | 83.3 | Confident | 76.5 | Confident | 106 Ų | 106 | 77.1 Ų | 77.1 | 50% | 0.495 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.4 | -32.1 | 176 | -53.9 | 67.9 | -144.7 | 0 | 0 | 111 | L185 K187 | E183-L185 VanDerWaalsContact C-N 3.35Å; E183-K187 WeakPolarHBondContact O-CB 3.42Å; E183-K187 WeakPolarHBondContact O-CG 3.42Å; E183-K187 PolarHBondContact O-N 3.45Å; E183-K187 VanDerWaalsContact O-N 3.09Å |
| 184 | G | 82.5 | Confident | 76.1 | Confident | 20 Ų | 20 | 80.1 Ų | 80.1 | 21% | 0.206 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -71.1 | -29.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | R179 T181 I182 H188 | R179-G184 WeakPolarHBondContact CG-O 3.47Å; T181-G184 PolarHBondContact O-N 3.29Å; T181-G184 PolarHBondContact OG1-N 3.41Å; I182-G184 PolarHBondContact O-N 2.77Å; G184-H188 WeakPolarHBondContact O-CB 3.46Å |
| 185 | L | 83.3 | Confident | 75.3 | Confident | 0 Ų | 0 | 84.8 Ų | 84.8 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -76.6 | -47.8 | 170.5 | -164.6 | 74.8 | 0 | 0 | 0 | 111.3 | W159 V169 C171 R179 T181 I182 E183 K187 H188 M189 | W159-L185 HydrophobicContact CD2-CD2 3.58Å; W159-L185 HydrophobicContact CE3-CD2 3.78Å; W159-L185 HydrophobicContact CG-CD2 4.08Å; W159-L185 HydrophobicContact CH2-CD2 4.19Å; W159-L185 HydrophobicContact CZ2-CD2 4Å; W159-L185 HydrophobicContact CZ3-CD2 4.09Å; V169-L185 HydrophobicContact CG1-CB 4.33Å; V169-L185 HydrophobicContact CG1-CD1 4.16Å; V169-L185 HydrophobicContact CG1-CD2 3.81Å; V169-L185 HydrophobicContact CG1-CG 4.32Å; V169-L185 HydrophobicContact CG2-CD2 3.81Å; C171-L185 HydrophobicContact CB-CD1 4.05Å; R179-L185 HydrophobicContact CB-CB 4.23Å; R179-L185 HydrophobicContact CB-CD1 4.11Å; R179-L185 HydrophobicContact CG-CD1 4.09Å; T181-L185 PolarHBondContact O-N 3.23Å; I182-L185 CarbonylContact O-C 3.57Å; I182-L185 WeakPolarHBondContact O-CA 3.38Å; I182-L185 WeakPolarHBondContact O-CB 3.49Å; I182-L185 PolarHBondContact O-N 3.3Å; E183-L185 VanDerWaalsContact C-N 3.35Å; L185-K187 PolarHBondContact O-N 3.44Å; L185-H188 CarbonylContact O-C 3.58Å; L185-H188 WeakPolarHBondContact O-CA 3.36Å; L185-H188 WeakPolarHBondContact O-CB 3.17Å; L185-H188 PolarHBondContact O-N 3.47Å; L185-M189 HydrophobicContact CD2-SD 4.09Å; L185-M189 HydrophobicContact CG-CG 4.47Å; L185-M189 HydrophobicContact CG-SD 4.07Å; L185-M189 WeakPolarHBondContact O-CG 3.34Å; L185-M189 PolarHBondContact O-N 2.85Å |
| 186 | K | 81.7 | Confident | 75 | Confident | 100 Ų | 100 | 81.8 Ų | 81.8 | 44% | 0.435 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -59.1 | -48.2 | -177.3 | -160.2 | 156.5 | -172 | 158.3 | 0 | 111.7 | E156 I182 H188 M189 E190 | E156-K186 IonicContact OE1-NZ 3.41Å; E156-K186 PolarHBondContact OE1-NZ 3.04Å; I182-K186 WeakPolarHBondContact O-CB 3.46Å; I182-K186 PolarHBondContact O-N 3.23Å; K186-H188 VanDerWaalsContact C-N 3.29Å; K186-H188 PolarHBondContact O-N 3.39Å; K186-M189 PolarHBondContact O-N 3.14Å; K186-E190 WeakPolarHBondContact O-CG 3.48Å; K186-E190 PolarHBondContact O-N 3.46Å |
| 187 | K | 81.1 | Confident | 74.8 | Confident | 138 Ų | 138 | 80.1 Ų | 80.1 | 60% | 0.6 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.2 | -35.3 | 171 | -73 | -178.9 | 177.1 | -177.8 | 0 | 113.5 | E183 L185 N191 | E183-K187 WeakPolarHBondContact O-CB 3.42Å; E183-K187 WeakPolarHBondContact O-CG 3.42Å; E183-K187 PolarHBondContact O-N 3.45Å; E183-K187 VanDerWaalsContact O-N 3.09Å; L185-K187 PolarHBondContact O-N 3.44Å; K187-N191 PolarHBondContact O-N 3.29Å; K187-N191 PolarHBondContact O-OD1 3.02Å |
| 188 | H | 79.6 | Confident | 74.9 | Confident | 30 Ų | 30 | 81.3 Ų | 81.3 | 14% | 0.139 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -68.8 | -40 | 173.7 | 168.5 | 49 | 0 | 0 | 0 | 111.5 | C171 C174 G184 L185 K186 N191 C192 | C171-H188 VanDerWaalsContact CB-CD2 3.49Å; C171-H188 WeakPolarHBondContact CB-CD2 3.41Å; C171-H188 WeakPolarHBondContact CB-NE2 3.1Å; C171-H188 PolarHBondContact SG-NE2 3.39Å; C171-H188 VanDerWaalsContact SG-NE2 3.44Å; C174-H188 PolarHBondContact SG-NE2 3.32Å; C174-H188 VanDerWaalsContact SG-NE2 3.36Å; G184-H188 WeakPolarHBondContact O-CB 3.46Å; L185-H188 CarbonylContact O-C 3.58Å; L185-H188 WeakPolarHBondContact O-CA 3.36Å; L185-H188 WeakPolarHBondContact O-CB 3.17Å; L185-H188 PolarHBondContact O-N 3.47Å; K186-H188 VanDerWaalsContact C-N 3.29Å; K186-H188 PolarHBondContact O-N 3.39Å; H188-N191 CarbonylContact O-C 3.52Å; H188-N191 PolarHBondContact O-N 3.23Å; H188-C192 WeakPolarHBondContact O-CB 3.46Å; H188-C192 PolarHBondContact O-N 2.96Å |
| 189 | M | 77.9 | Confident | 74.7 | Confident | 52 Ų | 52 | 79.3 Ų | 79.3 | 26% | 0.256 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 177.5 | -70.5 | 175.5 | 68.6 | 0 | 0 | 112.6 | W159 P172 L185 K186 N191 C192 | W159-M189 HydrophobicContact CH2-CE 3.78Å; W159-M189 HydrophobicContact CH2-SD 3.46Å; W159-M189 WeakPolarHBondContact CH2-SD 3.38Å; W159-M189 HydrophobicContact CZ2-CE 4.08Å; W159-M189 HydrophobicContact CZ2-SD 3.85Å; W159-M189 HydrophobicContact CZ3-SD 4.23Å; P172-M189 HydrophobicContact CG-CE 4.11Å; L185-M189 HydrophobicContact CD2-SD 4.09Å; L185-M189 HydrophobicContact CG-CG 4.47Å; L185-M189 HydrophobicContact CG-SD 4.07Å; L185-M189 WeakPolarHBondContact O-CG 3.34Å; L185-M189 PolarHBondContact O-N 2.85Å; K186-M189 PolarHBondContact O-N 3.14Å; M189-N191 PolarHBondContact O-N 3.45Å; M189-C192 CarbonylContact O-C 3.06Å; M189-C192 PolarHBondContact O-N 2.85Å |
| 190 | E | 70.9 | Confident | 74.2 | Confident | 116 Ų | 116 | 81.7 Ų | 81.7 | 54% | 0.542 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -55.7 | -37.5 | 171.6 | -72.3 | 160.9 | -164.4 | 0 | 0 | 112.7 | K186 | K186-E190 WeakPolarHBondContact O-CG 3.48Å; K186-E190 PolarHBondContact O-N 3.46Å |
| 191 | N | 65.4 | Low | 73.2 | Confident | 143 Ų | 143 | 77.5 Ų | 77.5 | 77% | 0.765 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -88.5 | -18.7 | 173.7 | -69.6 | 128 | 0 | 0 | 0 | 114.1 | K187 H188 M189 K193 | K187-N191 PolarHBondContact O-N 3.29Å; K187-N191 PolarHBondContact O-OD1 3.02Å; H188-N191 CarbonylContact O-C 3.52Å; H188-N191 PolarHBondContact O-N 3.23Å; M189-N191 PolarHBondContact O-N 3.45Å; N191-K193 PolarHBondContact O-N 2.95Å |
| 192 | C | 70.9 | Confident | 72.2 | Confident | 19 Ų | 19 | 76.5 Ų | 76.5 | 13% | 0.128 | 37% | 0.374 | C | S | . | . | trans | -91 | 43.3 | -178.2 | -165.4 | 0 | 0 | 0 | 0 | 111.7 | T173 H188 M189 Q194 | T173-C192 WeakPolarHBondContact CG2-O 3.33Å; H188-C192 WeakPolarHBondContact O-CB 3.46Å; H188-C192 PolarHBondContact O-N 2.96Å; M189-C192 CarbonylContact O-C 3.06Å; M189-C192 PolarHBondContact O-N 2.85Å; C192-Q194 PolarHBondContact O-N 2.94Å | ||
| 193 | K | 60 | Low | 71.4 | Confident | 164 Ų | 164 | 78.6 Ų | 78.6 | 71% | 0.713 | 40% | 0.397 | S | S | * | . | trans | -66.8 | 131.5 | 172.1 | -63.1 | -170.4 | 178.5 | -171.4 | 0 | 109.1 | N191 E195 | N191-K193 PolarHBondContact O-N 2.95Å; K193-E195 PolarHBondContact O-N 3.43Å | ||
| 194 | Q | 58.3 | Low | 71 | Confident | 106 Ų | 106 | 79.4 Ų | 79.4 | 50% | 0.495 | 40% | 0.399 | S | S | . | . | trans | -76.2 | 31.1 | -166 | -160 | 72.9 | -49.5 | 0 | 0 | 114.1 | T173 C192 M196 | T173-Q194 HydrophobicContact CG2-CB 4.17Å; T173-Q194 HydrophobicContact CG2-CG 4.39Å; T173-Q194 PolarHBondContact O-NE2 2.96Å; T173-Q194 PolarHBondContact O-OE1 3.46Å; C192-Q194 PolarHBondContact O-N 2.94Å; Q194-M196 VanDerWaalsContact C-N 3.33Å; Q194-M196 HydrophobicContact CG-CE 4.12Å; Q194-M196 PolarHBondContact O-N 3.45Å | ||
| 195 | E | 54.6 | Low | 70.6 | Confident | 126 Ų | 126 | 84.5 Ų | 84.5 | 59% | 0.589 | 42% | 0.418 | S | S | * | . | trans | -74.2 | 91 | 170.6 | -68.9 | -166.8 | 166.3 | 0 | 0 | 109.1 | K193 F197 | K193-E195 PolarHBondContact O-N 3.43Å; E195-F197 HydrophobicContact CB-CD2 4.13Å; E195-F197 HydrophobicContact CB-CE1 4.14Å; E195-F197 HydrophobicContact CB-CE2 3.53Å; E195-F197 HydrophobicContact CB-CZ 3.54Å; E195-F197 HydrophobicContact CG-CZ 4.39Å; E195-F197 WeakPolarHBondContact O-CD2 3.34Å; E195-F197 VanDerWaalsContact O-CE2 3.24Å; E195-F197 WeakPolarHBondContact O-CE2 3.33Å; E195-F197 PolarHBondContact O-N 3.38Å; E195-F197 WeakPolarHBondContact OE2-CE1 3.35Å; E195-F197 WeakPolarHBondContact OE2-CZ 3.36Å | ||
| 196 | M | 65.7 | Low | 70.3 | Confident | 86 Ų | 86 | 86.6 Ų | 86.6 | 42% | 0.424 | 43% | 0.429 | S | S | . | . | trans | -75.7 | 73.3 | 171.5 | -62.8 | -159 | -163.5 | 0 | 0 | 109.7 | Q194 T198 Q205 | Q194-M196 VanDerWaalsContact C-N 3.33Å; Q194-M196 HydrophobicContact CG-CE 4.12Å; Q194-M196 PolarHBondContact O-N 3.45Å; M196-T198 PolarHBondContact O-N 3.49Å; M196-Q205 HydrophobicContact CB-CB 4.16Å; M196-Q205 HydrophobicContact CB-CG 4.18Å | ||
| 197 | F | 67.5 | Low | 69.9 | Low | 38 Ų | 38 | 91.6 Ų | 91.6 | 17% | 0.167 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -48.5 | 105.4 | -174.3 | -67.7 | -81.8 | 0 | 0 | 0 | 112.4 | E195 C199 Q205 L206 L209 M212 | E195-F197 HydrophobicContact CB-CD2 4.13Å; E195-F197 HydrophobicContact CB-CE1 4.14Å; E195-F197 HydrophobicContact CB-CE2 3.53Å; E195-F197 HydrophobicContact CB-CZ 3.54Å; E195-F197 HydrophobicContact CG-CZ 4.39Å; E195-F197 WeakPolarHBondContact O-CD2 3.34Å; E195-F197 VanDerWaalsContact O-CE2 3.24Å; E195-F197 WeakPolarHBondContact O-CE2 3.33Å; E195-F197 PolarHBondContact O-N 3.38Å; E195-F197 WeakPolarHBondContact OE2-CE1 3.35Å; E195-F197 WeakPolarHBondContact OE2-CZ 3.36Å; F197-C199 PolarHBondContact O-N 2.83Å; F197-Q205 CarbonylContact O-C 3.55Å; F197-Q205 WeakPolarHBondContact O-CA 3.24Å; F197-L206 PolarHBondContact N-O 3.33Å; F197-L206 PolarHBondContact O-N 3.49Å; F197-L209 HydrophobicContact CD1-CB 4.34Å; F197-L209 HydrophobicContact CD1-CG 4.35Å; F197-L209 HydrophobicContact CD2-CB 4.25Å; F197-L209 HydrophobicContact CE1-CB 3.88Å; F197-L209 HydrophobicContact CE1-CD1 3.8Å; F197-L209 HydrophobicContact CE1-CG 3.89Å; F197-L209 HydrophobicContact CE2-CB 3.79Å; F197-L209 HydrophobicContact CZ-CB 3.58Å; F197-L209 HydrophobicContact CZ-CD1 3.97Å; F197-L209 HydrophobicContact CZ-CG 4.08Å; F197-M212 HydrophobicContact CB-CB 3.87Å; F197-M212 HydrophobicContact CB-CE 4.03Å; F197-M212 HydrophobicContact CB-CG 4.36Å; F197-M212 HydrophobicContact CB-SD 3.81Å; F197-M212 HydrophobicContact CD1-CE 3.64Å; F197-M212 HydrophobicContact CD1-SD 4.47Å; F197-M212 HydrophobicContact CG-CE 4.13Å |
| 198 | T | 74.6 | Confident | 69.7 | Low | 65 Ų | 65 | 87.6 Ų | 87.6 | 40% | 0.399 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 114.3 | 178.2 | 41.7 | 0 | 0 | 0 | 0 | 109.7 | M196 H200 Q205 | M196-T198 PolarHBondContact O-N 3.49Å; T198-H200 PolarHBondContact O-N 2.88Å; T198-H200 PolarHBondContact O-ND1 3.36Å; T198-Q205 HydrophobicContact CG2-CG 3.65Å |
| 199 | C | 77.4 | Confident | 69.6 | Low | 0 Ų | 0 | 89.8 Ų | 89.8 | 0% | 0 | 45% | 0.447 | C | S | . | . | trans | -66 | 108.8 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | F197 H201 C202 G203 K204 H215 H220 | F197-C199 PolarHBondContact O-N 2.83Å; C199-H201 PolarHBondContact O-N 2.88Å; C199-C202 PolarHBondContact O-N 3.37Å; C199-G203 PolarHBondContact O-N 3.31Å; C199-K204 PolarHBondContact N-O 3.41Å; C199-H215 PolarHBondContact SG-CD2 2.88Å; C199-H220 PolarHBondContact SG-CD2 3.44Å; C199-H220 PolarHBondContact SG-NE2 3.41Å | ||
| 200 | H | 71.1 | Confident | 69.6 | Low | 159 Ų | 159 | 90 Ų | 90 | 74% | 0.736 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -27.2 | -172.4 | -64.9 | 23.7 | 0 | 0 | 0 | 113.3 | T198 | T198-H200 PolarHBondContact O-N 2.88Å; T198-H200 PolarHBondContact O-ND1 3.36Å |
| 201 | H | 63.6 | Low | 70.1 | Confident | 76 Ų | 76 | 85.6 Ų | 85.6 | 35% | 0.352 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -5.4 | 178.6 | -53.4 | -60.3 | 0 | 0 | 0 | 115.3 | C199 H220 | C199-H201 PolarHBondContact O-N 2.88Å; H201-H220 HydrophobicContact CB-CB 4.34Å; H201-H220 AromaticContact CD2-CD2 3.95Å; H201-H220 AromaticContact CD2-CG 3.78Å |
| 202 | C | 64.4 | Low | 70.9 | Confident | 54 Ų | 54 | 80.7 Ų | 80.7 | 37% | 0.365 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -160.5 | 15.3 | 180 | 66 | 0 | 0 | 0 | 0 | 116.2 | C199 K204 H215 H220 | C199-C202 PolarHBondContact O-N 3.37Å; C202-K204 PolarHBondContact O-N 3.46Å; C202-H215 PolarHBondContact SG-NE2 2.95Å; C202-H215 VanDerWaalsContact SG-NE2 3.44Å; C202-H220 PolarHBondContact SG-NE2 3.48Å |
| 203 | G | 65.6 | Low | 71.2 | Confident | 52 Ų | 52 | 86.5 Ų | 86.5 | 54% | 0.536 | 44% | 0.438 | S | S | . | . | trans | 67.2 | -10.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | C199 Q205 | C199-G203 PolarHBondContact O-N 3.31Å; G203-Q205 PolarHBondContact O-N 2.82Å; G203-Q205 VanDerWaalsContact O-N 3.07Å | ||
| 204 | K | 73.9 | Confident | 72.1 | Confident | 124 Ų | 124 | 86.5 Ų | 86.5 | 54% | 0.539 | 44% | 0.435 | S | S | . | . | trans | -64.6 | 111.9 | -171.2 | -69.8 | -173.8 | 178.8 | -168.8 | 0 | 112.4 | C199 C202 | C199-K204 PolarHBondContact N-O 3.41Å; C202-K204 PolarHBondContact O-N 3.46Å | ||
| 205 | Q | 75.6 | Confident | 73 | Confident | 127 Ų | 127 | 82.5 Ų | 82.5 | 59% | 0.593 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 134.5 | 172.3 | -73.4 | 174.6 | -7.1 | 0 | 0 | 111.3 | M196 F197 T198 G203 | M196-Q205 HydrophobicContact CB-CB 4.16Å; M196-Q205 HydrophobicContact CB-CG 4.18Å; F197-Q205 CarbonylContact O-C 3.55Å; F197-Q205 WeakPolarHBondContact O-CA 3.24Å; T198-Q205 HydrophobicContact CG2-CG 3.65Å; G203-Q205 PolarHBondContact O-N 2.82Å; G203-Q205 VanDerWaalsContact O-N 3.07Å |
| 206 | L | 76.5 | Confident | 74 | Confident | 44 Ų | 44 | 78.3 Ų | 78.3 | 23% | 0.23 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 131.2 | -176.4 | -68.2 | 164 | 0 | 0 | 0 | 110.5 | F197 S208 M212 H215 | F197-L206 PolarHBondContact N-O 3.33Å; F197-L206 PolarHBondContact O-N 3.49Å; L206-S208 PolarHBondContact O-N 3.12Å; L206-M212 HydrophobicContact CD1-CB 4.26Å; L206-H215 HydrophobicContact CD1-CB 3.34Å |
| 207 | R | 74 | Confident | 74.4 | Confident | 204 Ų | 204 | 79 Ų | 79 | 77% | 0.77 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -68.9 | 13.6 | -173.1 | -60.5 | 177.9 | 176.5 | 167.1 | -4.2 | 115.5 | ||
| 208 | S | 76.4 | Confident | 74.3 | Confident | 55 Ų | 55 | 79.5 Ų | 79.5 | 39% | 0.385 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -167.6 | 149.8 | 173.2 | 59.8 | 0 | 0 | 0 | 0 | 112.6 | L206 A210 G211 M212 | L206-S208 PolarHBondContact O-N 3.12Å; S208-A210 VanDerWaalsContact C-N 3.29Å; S208-A210 PolarHBondContact O-N 3.12Å; S208-G211 CarbonylContact O-C 3.53Å; S208-G211 WeakPolarHBondContact O-CA 3.13Å; S208-G211 PolarHBondContact O-N 3.13Å; S208-G211 PolarHBondContact OG-N 3.01Å; S208-M212 PolarHBondContact O-N 2.93Å |
| 209 | L | 77.8 | Confident | 73.9 | Confident | 76 Ų | 76 | 78.1 Ų | 78.1 | 40% | 0.398 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 176 | -161.5 | 158.2 | 0 | 0 | 0 | 111.4 | F197 M212 K213 | F197-L209 HydrophobicContact CD1-CB 4.34Å; F197-L209 HydrophobicContact CD1-CG 4.35Å; F197-L209 HydrophobicContact CD2-CB 4.25Å; F197-L209 HydrophobicContact CE1-CB 3.88Å; F197-L209 HydrophobicContact CE1-CD1 3.8Å; F197-L209 HydrophobicContact CE1-CG 3.89Å; F197-L209 HydrophobicContact CE2-CB 3.79Å; F197-L209 HydrophobicContact CZ-CB 3.58Å; F197-L209 HydrophobicContact CZ-CD1 3.97Å; F197-L209 HydrophobicContact CZ-CG 4.08Å; L209-M212 PolarHBondContact O-N 3.41Å; L209-K213 HydrophobicContact CD2-CD 3.69Å; L209-K213 HydrophobicContact CD2-CG 4.16Å; L209-K213 PolarHBondContact O-N 3.44Å |
| 210 | A | 78.2 | Confident | 73.4 | Confident | 56 Ų | 56 | 79 Ų | 79 | 46% | 0.463 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.1 | -45.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | S208 M212 K213 Y214 | S208-A210 VanDerWaalsContact C-N 3.29Å; S208-A210 PolarHBondContact O-N 3.12Å; A210-M212 VanDerWaalsContact C-N 3.32Å; A210-M212 PolarHBondContact O-N 3.27Å; A210-K213 PolarHBondContact O-N 3.47Å; A210-Y214 VanDerWaalsContact O-CD2 3.32Å; A210-Y214 WeakPolarHBondContact O-CD2 3.36Å; A210-Y214 PolarHBondContact O-N 3.39Å |
| 211 | G | 80.8 | Confident | 73.1 | Confident | 24 Ų | 24 | 72.2 Ų | 72.2 | 25% | 0.247 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.6 | -41.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S208 H215 | S208-G211 CarbonylContact O-C 3.53Å; S208-G211 WeakPolarHBondContact O-CA 3.13Å; S208-G211 PolarHBondContact O-N 3.13Å; S208-G211 PolarHBondContact OG-N 3.01Å; G211-H215 WeakPolarHBondContact O-CB 3.41Å; G211-H215 PolarHBondContact O-N 3.07Å |
| 212 | M | 81.4 | Confident | 72.7 | Confident | 39 Ų | 39 | 72.7 Ų | 72.7 | 19% | 0.192 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.9 | -45 | 172.7 | -178.8 | 175.7 | 58.6 | 0 | 0 | 112.4 | F197 L206 S208 L209 A210 H215 V216 | F197-M212 HydrophobicContact CB-CB 3.87Å; F197-M212 HydrophobicContact CB-CE 4.03Å; F197-M212 HydrophobicContact CB-CG 4.36Å; F197-M212 HydrophobicContact CB-SD 3.81Å; F197-M212 HydrophobicContact CD1-CE 3.64Å; F197-M212 HydrophobicContact CD1-SD 4.47Å; F197-M212 HydrophobicContact CG-CE 4.13Å; L206-M212 HydrophobicContact CD1-CB 4.26Å; S208-M212 PolarHBondContact O-N 2.93Å; L209-M212 PolarHBondContact O-N 3.41Å; A210-M212 VanDerWaalsContact C-N 3.32Å; A210-M212 PolarHBondContact O-N 3.27Å; M212-H215 WeakPolarHBondContact O-CB 3.48Å; M212-H215 PolarHBondContact O-N 2.88Å; M212-V216 HydrophobicContact CG-CG2 4.25Å; M212-V216 WeakPolarHBondContact O-CG2 3.31Å; M212-V216 PolarHBondContact O-N 3.38Å |
| 213 | K | 77.7 | Confident | 72.3 | Confident | 141 Ų | 141 | 72.1 Ų | 72.1 | 61% | 0.613 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -61.8 | -45.5 | 177.6 | -77.8 | 177 | 173.6 | 168.7 | 0 | 112 | L209 A210 V216 M217 | L209-K213 HydrophobicContact CD2-CD 3.69Å; L209-K213 HydrophobicContact CD2-CG 4.16Å; L209-K213 PolarHBondContact O-N 3.44Å; A210-K213 PolarHBondContact O-N 3.47Å; K213-V216 PolarHBondContact O-N 3.28Å; K213-M217 VanDerWaalsContact O-CB 3.31Å; K213-M217 WeakPolarHBondContact O-CB 3Å; K213-M217 PolarHBondContact O-N 3.41Å |
| 214 | Y | 78.5 | Confident | 71.2 | Confident | 164 Ų | 164 | 74.6 Ų | 74.6 | 64% | 0.643 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -63.8 | -39.7 | 173.2 | -83.9 | -70.3 | 0 | 0 | 0 | 112.5 | A210 M217 A218 | A210-Y214 VanDerWaalsContact O-CD2 3.32Å; A210-Y214 WeakPolarHBondContact O-CD2 3.36Å; A210-Y214 PolarHBondContact O-N 3.39Å; Y214-M217 HydrophobicContact CD1-CE 3.6Å; Y214-M217 HydrophobicContact CE1-CE 3.76Å; Y214-A218 VanDerWaalsContact O-CB 3.31Å; Y214-A218 WeakPolarHBondContact O-CB 3.38Å; Y214-A218 PolarHBondContact O-N 3.02Å |
| 215 | H | 78.2 | Confident | 69.8 | Low | 23 Ų | 23 | 74.5 Ų | 74.5 | 11% | 0.106 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -59.2 | -57.6 | 174.1 | 177.9 | 90.3 | 0 | 0 | 0 | 110.6 | C199 C202 L206 G211 M212 M217 A218 N219 H220 | C199-H215 PolarHBondContact SG-CD2 2.88Å; C202-H215 PolarHBondContact SG-NE2 2.95Å; C202-H215 VanDerWaalsContact SG-NE2 3.44Å; L206-H215 HydrophobicContact CD1-CB 3.34Å; G211-H215 WeakPolarHBondContact O-CB 3.41Å; G211-H215 PolarHBondContact O-N 3.07Å; M212-H215 WeakPolarHBondContact O-CB 3.48Å; M212-H215 PolarHBondContact O-N 2.88Å; H215-M217 VanDerWaalsContact C-N 3.32Å; H215-M217 PolarHBondContact O-N 3.4Å; H215-A218 CarbonylContact O-C 3.59Å; H215-A218 PolarHBondContact O-N 3.03Å; H215-A218 VanDerWaalsContact O-N 3.09Å; H215-N219 PolarHBondContact ND1-ND2 3.48Å; H215-N219 WeakPolarHBondContact O-CB 2.96Å; H215-N219 PolarHBondContact O-N 2.93Å; H215-N219 PolarHBondContact O-ND2 2.68Å; H215-H220 AromaticContact CD2-CD2 3.84Å; H215-H220 AromaticContact CD2-NE2 3.69Å; H215-H220 AromaticContact NE2-CD2 3.75Å; H215-H220 AromaticContact NE2-NE2 3.12Å; H215-H220 PolarHBondContact NE2-NE2 3.07Å; H215-H220 VanDerWaalsContact NE2-NE2 3.12Å |
| 216 | V | 76.1 | Confident | 68.1 | Low | 38 Ų | 38 | 73.3 Ų | 73.3 | 23% | 0.23 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -54.8 | -46.3 | -179.4 | 171.1 | 0 | 0 | 0 | 0 | 111.4 | M212 K213 A218 N219 H220 N221 | M212-V216 HydrophobicContact CG-CG2 4.25Å; M212-V216 WeakPolarHBondContact O-CG2 3.31Å; M212-V216 PolarHBondContact O-N 3.38Å; K213-V216 PolarHBondContact O-N 3.28Å; V216-A218 PolarHBondContact O-N 2.93Å; V216-N219 PolarHBondContact O-N 2.87Å; V216-H220 HydrophobicContact CG1-CB 4.5Å; V216-H220 CarbonylContact O-C 3.6Å; V216-H220 WeakPolarHBondContact O-CA 3.24Å; V216-H220 PolarHBondContact O-N 3.13Å; V216-N221 PolarHBondContact O-N 3.23Å; V216-N221 VanDerWaalsContact O-N 3.11Å |
| 217 | M | 72.8 | Confident | 66.2 | Low | 100 Ų | 100 | 80 Ų | 80 | 49% | 0.493 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62 | -37 | 178.1 | -176.9 | 169.6 | 57.2 | 0 | 0 | 113.5 | K213 Y214 H215 | K213-M217 VanDerWaalsContact O-CB 3.31Å; K213-M217 WeakPolarHBondContact O-CB 3Å; K213-M217 PolarHBondContact O-N 3.41Å; Y214-M217 HydrophobicContact CD1-CE 3.6Å; Y214-M217 HydrophobicContact CE1-CE 3.76Å; H215-M217 VanDerWaalsContact C-N 3.32Å; H215-M217 PolarHBondContact O-N 3.4Å |
| 218 | A | 66.4 | Low | 64.7 | Low | 48 Ų | 48 | 75.8 Ų | 75.8 | 40% | 0.397 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -95.8 | -6.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y214 H215 V216 | Y214-A218 VanDerWaalsContact O-CB 3.31Å; Y214-A218 WeakPolarHBondContact O-CB 3.38Å; Y214-A218 PolarHBondContact O-N 3.02Å; H215-A218 CarbonylContact O-C 3.59Å; H215-A218 PolarHBondContact O-N 3.03Å; H215-A218 VanDerWaalsContact O-N 3.09Å; V216-A218 PolarHBondContact O-N 2.93Å |
| 219 | N | 64.6 | Low | 63.1 | Low | 37 Ų | 37 | 76.5 Ų | 76.5 | 20% | 0.198 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -125.5 | -35 | -172.1 | -73.2 | -85.7 | 0 | 0 | 0 | 114.5 | H215 V216 R252 | H215-N219 PolarHBondContact ND1-ND2 3.48Å; H215-N219 WeakPolarHBondContact O-CB 2.96Å; H215-N219 PolarHBondContact O-N 2.93Å; H215-N219 PolarHBondContact O-ND2 2.68Å; V216-N219 PolarHBondContact O-N 2.87Å; N219-R252 PolarHBondContact O-NE 3.3Å; N219-R252 PolarHBondContact O-NH2 2.84Å; N219-R252 PolarHBondContact OD1-NH1 2.92Å; N219-R252 PolarHBondContact OD1-NH2 2.98Å |
| 220 | H | 68.3 | Low | 61.1 | Low | 18 Ų | 18 | 79.2 Ų | 79.2 | 8% | 0.083 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -120 | 9.6 | -178.4 | -51.3 | -60.1 | 0 | 0 | 0 | 111.3 | C199 H201 C202 H215 V216 S222 | C199-H220 PolarHBondContact SG-CD2 3.44Å; C199-H220 PolarHBondContact SG-NE2 3.41Å; H201-H220 HydrophobicContact CB-CB 4.34Å; H201-H220 AromaticContact CD2-CD2 3.95Å; H201-H220 AromaticContact CD2-CG 3.78Å; C202-H220 PolarHBondContact SG-NE2 3.48Å; H215-H220 AromaticContact CD2-CD2 3.84Å; H215-H220 AromaticContact CD2-NE2 3.69Å; H215-H220 AromaticContact NE2-CD2 3.75Å; H215-H220 AromaticContact NE2-NE2 3.12Å; H215-H220 PolarHBondContact NE2-NE2 3.07Å; H215-H220 VanDerWaalsContact NE2-NE2 3.12Å; V216-H220 HydrophobicContact CG1-CB 4.5Å; V216-H220 CarbonylContact O-C 3.6Å; V216-H220 WeakPolarHBondContact O-CA 3.24Å; V216-H220 PolarHBondContact O-N 3.13Å; H220-S222 PolarHBondContact O-N 2.78Å |
| 221 | N | 64.8 | Low | 60 | Low | 17 Ų | 17 | 86.2 Ų | 86.2 | 9% | 0.091 | 48% | 0.48 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 16.4 | 163.9 | -56.8 | -2.3 | 0 | 0 | 0 | 115.9 | V216 L223 V244 L248 | V216-N221 PolarHBondContact O-N 3.23Å; V216-N221 VanDerWaalsContact O-N 3.11Å; N221-L223 PolarHBondContact O-N 2.97Å; N221-V244 HydrophobicContact CB-CG1 3.91Å; N221-V244 VanDerWaalsContact ND2-CG1 3.28Å; N221-V244 WeakPolarHBondContact ND2-CG1 3.46Å; N221-L248 HydrophobicContact CB-CD1 4.28Å; N221-L248 WeakPolarHBondContact OD1-CD1 3.41Å |
| 222 | S | 55.2 | Low | 58.5 | Low | 86 Ų | 86 | 88.6 Ų | 88.6 | 60% | 0.601 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 40.1 | -178.8 | 54.8 | 0 | 0 | 0 | 0 | 113.9 | H220 P224 | H220-S222 PolarHBondContact O-N 2.78Å; S222-P224 WeakPolarHBondContact O-CD 3.36Å |
| 223 | L | 55.5 | Low | 57.4 | Low | 41 Ų | 41 | 90.9 Ų | 90.9 | 22% | 0.215 | 50% | 0.5 | C | S | . | . | trans | -88.4 | 118.5 | 171 | -68.6 | 175.7 | 0 | 0 | 0 | 109.1 | N221 I225 M254 | N221-L223 PolarHBondContact O-N 2.97Å; L223-I225 PolarHBondContact O-N 3.36Å; L223-M254 HydrophobicContact CB-CE 3.86Å; L223-M254 HydrophobicContact CB-SD 3.91Å; L223-M254 HydrophobicContact CD1-SD 3.7Å; L223-M254 HydrophobicContact CG-SD 4.41Å | ||
| 224 | P | 42.5 | Very low | 56.9 | Low | 104 Ų | 104 | 88 Ų | 88 | 68% | 0.675 | 49% | 0.489 | S | S | * | . | trans | -57.4 | 138 | 163.9 | -19.9 | 32.7 | 0 | 0 | 0 | 109.2 | S222 L226 | S222-P224 WeakPolarHBondContact O-CD 3.36Å; P224-L226 PolarHBondContact O-N 2.79Å | ||
| 225 | I | 45.2 | Very low | 56.2 | Low | 122 Ų | 122 | 84 Ų | 84 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | trans | -74.8 | 84.4 | 173 | -57 | 173.3 | 0 | 0 | 0 | 107.4 | L223 K227 M254 | L223-I225 PolarHBondContact O-N 3.36Å; I225-K227 PolarHBondContact O-N 2.96Å; I225-M254 HydrophobicContact CG1-CE 4.21Å | ||
| 226 | L | 40.1 | Very low | 56.1 | Low | 103 Ų | 103 | 86.4 Ų | 86.4 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | trans | -63.5 | 127.4 | 163 | -64.9 | 178.3 | 0 | 0 | 0 | 107.4 | P224 I232 | P224-L226 PolarHBondContact O-N 2.79Å; L226-I232 HydrophobicContact CB-CD1 4.34Å; L226-I232 HydrophobicContact CD1-CD1 3.59Å | ||
| 227 | K | 36.6 | Very low | 56.2 | Low | 183 Ų | 183 | 86.8 Ų | 86.8 | 80% | 0.796 | 50% | 0.498 | S | S | * | . | trans | -65.2 | 153.2 | -174.5 | -68.4 | -100.6 | -175.8 | 166 | 0 | 109.6 | I225 G229 | I225-K227 PolarHBondContact O-N 2.96Å; K227-G229 PolarHBondContact O-N 3.07Å | ||
| 228 | A | 41.4 | Very low | 56.6 | Low | 117 Ų | 117 | 85.6 Ų | 85.6 | 97% | 0.967 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 104.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||
| 229 | G | 43.6 | Very low | 57.3 | Low | 70 Ų | 70 | 87.6 Ų | 87.6 | 72% | 0.722 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -174.7 | -60.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K227 | K227-G229 PolarHBondContact O-N 3.07Š|
| 230 | D | 36 | Very low | 58.2 | Low | 132 Ų | 132 | 91.6 Ų | 91.6 | 71% | 0.706 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -75.3 | 138.2 | -172.2 | -60 | -38.5 | 0 | 0 | 0 | 113.9 | I232 | D230-I232 VanDerWaalsContact C-N 3.26Å; D230-I232 HydrophobicContact CB-CG1 4.45Å; D230-I232 PolarHBondContact O-N 3.35Å |
| 231 | E | 53.9 | Low | 58.9 | Low | 203 Ų | 203 | 90.9 Ų | 90.9 | 95% | 0.949 | 50% | 0.498 | S | S | * | . | trans | -73.4 | 76.4 | 168.9 | -66.8 | -158 | 133.6 | 0 | 0 | 111.2 | D233 | E231-D233 PolarHBondContact O-N 3.3Š| ||
| 232 | I | 50 | Low | 59.9 | Low | 75 Ų | 75 | 95.3 Ų | 95.3 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | trans | -66.8 | 122.4 | 171.7 | -58.1 | 175.7 | 0 | 0 | 0 | 109.3 | L226 D230 E234 E237 | L226-I232 HydrophobicContact CB-CD1 4.34Å; L226-I232 HydrophobicContact CD1-CD1 3.59Å; D230-I232 VanDerWaalsContact C-N 3.26Å; D230-I232 HydrophobicContact CB-CG1 4.45Å; D230-I232 PolarHBondContact O-N 3.35Å; I232-E234 PolarHBondContact O-N 3.34Å; I232-E237 HydrophobicContact CG2-CB 4.29Å | ||
| 233 | D | 58.1 | Low | 61.1 | Low | 87 Ų | 87 | 94 Ų | 94 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | trans | -42.2 | 108.8 | 172.6 | 175.5 | 69.8 | 0 | 0 | 0 | 112 | E231 P235 T236 E237 | E231-D233 PolarHBondContact O-N 3.3Å; D233-P235 VanDerWaalsContact C-N 3.35Å; D233-P235 WeakPolarHBondContact OD1-CD 3.12Å; D233-P235 WeakPolarHBondContact OD2-CB 3.45Å; D233-T236 WeakPolarHBondContact O-CB 3.37Å; D233-T236 PolarHBondContact O-N 3.47Å; D233-T236 WeakPolarHBondContact OD2-CB 3.3Å; D233-T236 PolarHBondContact OD2-N 3.07Å; D233-T236 PolarHBondContact OD2-OG1 3.39Å; D233-E237 PolarHBondContact O-N 3.2Å; D233-E237 VanDerWaalsContact O-N 3.07Å | ||
| 234 | E | 66.8 | Low | 62.3 | Low | 81 Ų | 81 | 92.9 Ų | 92.9 | 38% | 0.379 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58 | -38.5 | -175.4 | -139.1 | -93 | -168 | 0 | 0 | 112.5 | I232 T236 R238 | I232-E234 PolarHBondContact O-N 3.34Å; E234-T236 PolarHBondContact O-N 3.46Å; E234-R238 WeakPolarHBondContact O-CB 3.48Å; E234-R238 PolarHBondContact O-N 3.1Å; E234-R238 IonicContact OE1-CZ 2.7Å; E234-R238 IonicContact OE1-NH2 3.98Å; E234-R238 PolarHBondContact OE1-NH2 3.46Å; E234-R238 IonicContact OE2-CZ 3.04Å; E234-R238 IonicContact OE2-NE 2.72Å; E234-R238 PolarHBondContact OE2-NE 3.24Å; E234-R238 IonicContact OE2-NH2 3.01Å; E234-R238 PolarHBondContact OE2-NH2 3.36Å |
| 235 | P | 64.9 | Low | 64.4 | Low | 80 Ų | 80 | 89.7 Ų | 89.7 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -53.4 | -44.9 | 166.4 | -26.6 | 33 | 0 | 0 | 0 | 115.1 | D233 R238 E239 | D233-P235 VanDerWaalsContact C-N 3.35Å; D233-P235 WeakPolarHBondContact OD1-CD 3.12Å; D233-P235 WeakPolarHBondContact OD2-CB 3.45Å; P235-R238 WeakPolarHBondContact O-CB 3.38Å; P235-R238 PolarHBondContact O-N 3.07Å; P235-E239 PolarHBondContact O-N 3.42Å |
| 236 | T | 74.4 | Confident | 66.2 | Low | 72 Ų | 72 | 93 Ų | 93 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.7 | -45.3 | -179.2 | -67.2 | 0 | 0 | 0 | 0 | 112 | D233 E234 R238 E239 R240 | D233-T236 WeakPolarHBondContact O-CB 3.37Å; D233-T236 PolarHBondContact O-N 3.47Å; D233-T236 WeakPolarHBondContact OD2-CB 3.3Å; D233-T236 PolarHBondContact OD2-N 3.07Å; D233-T236 PolarHBondContact OD2-OG1 3.39Å; E234-T236 PolarHBondContact O-N 3.46Å; T236-R238 VanDerWaalsContact C-N 3.3Å; T236-R238 PolarHBondContact O-N 3.45Å; T236-E239 PolarHBondContact O-N 3.1Å; T236-R240 PolarHBondContact O-N 3.21Å |
| 237 | E | 78.9 | Confident | 67.8 | Low | 47 Ų | 47 | 98 Ų | 98 | 22% | 0.22 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -66.1 | -36.3 | 174.3 | 178 | 52.7 | -158.5 | 0 | 0 | 111.3 | I232 D233 E239 R240 L241 | I232-E237 HydrophobicContact CG2-CB 4.29Å; D233-E237 PolarHBondContact O-N 3.2Å; D233-E237 VanDerWaalsContact O-N 3.07Å; E237-E239 VanDerWaalsContact C-N 3.3Å; E237-E239 PolarHBondContact O-N 3.43Å; E237-R240 WeakPolarHBondContact O-CB 3.49Å; E237-R240 PolarHBondContact O-N 2.86Å; E237-R240 VanDerWaalsContact OE2-CD 3.27Å; E237-R240 WeakPolarHBondContact OE2-CD 3.47Å; E237-L241 HydrophobicContact CG-CD1 4.15Å; E237-L241 HydrophobicContact CG-CG 4.49Å; E237-L241 VanDerWaalsContact O-CG 3.27Å; E237-L241 WeakPolarHBondContact O-CG 3.43Å; E237-L241 PolarHBondContact O-N 3.15Å; E237-L241 WeakPolarHBondContact OE1-CG 3.39Å |
| 238 | R | 81.2 | Confident | 69.6 | Low | 74 Ų | 74 | 92.4 Ų | 92.4 | 28% | 0.279 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62 | -35.3 | 172.8 | -175.8 | 178.7 | -65.7 | -91.2 | -5 | 112.4 | E234 P235 T236 R242 I265 | E234-R238 WeakPolarHBondContact O-CB 3.48Å; E234-R238 PolarHBondContact O-N 3.1Å; E234-R238 IonicContact OE1-CZ 2.7Å; E234-R238 IonicContact OE1-NH2 3.98Å; E234-R238 PolarHBondContact OE1-NH2 3.46Å; E234-R238 IonicContact OE2-CZ 3.04Å; E234-R238 IonicContact OE2-NE 2.72Å; E234-R238 PolarHBondContact OE2-NE 3.24Å; E234-R238 IonicContact OE2-NH2 3.01Å; E234-R238 PolarHBondContact OE2-NH2 3.36Å; P235-R238 WeakPolarHBondContact O-CB 3.38Å; P235-R238 PolarHBondContact O-N 3.07Å; T236-R238 VanDerWaalsContact C-N 3.3Å; T236-R238 PolarHBondContact O-N 3.45Å; R238-R242 WeakPolarHBondContact O-CG 3.45Å; R238-R242 PolarHBondContact O-N 3.31Å; R238-I265 HydrophobicContact CG-CG2 4.46Å |
| 239 | E | 81.4 | Confident | 71.4 | Confident | 91 Ų | 91 | 89.2 Ų | 89.2 | 43% | 0.425 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -72.4 | -40.9 | 171.8 | -170.1 | 56.7 | -129 | 0 | 0 | 112.3 | P235 T236 E237 L241 R242 T243 | P235-E239 PolarHBondContact O-N 3.42Å; T236-E239 PolarHBondContact O-N 3.1Å; E237-E239 VanDerWaalsContact C-N 3.3Å; E237-E239 PolarHBondContact O-N 3.43Å; E239-L241 VanDerWaalsContact C-N 3.28Å; E239-L241 PolarHBondContact O-N 2.82Å; E239-R242 WeakPolarHBondContact O-CA 3.47Å; E239-R242 WeakPolarHBondContact O-CB 3.32Å; E239-R242 PolarHBondContact O-N 2.92Å; E239-R242 VanDerWaalsContact OE2-CD 3.3Å; E239-R242 WeakPolarHBondContact OE2-CD 3.37Å; E239-R242 IonicContact OE2-CZ 2.65Å; E239-R242 IonicContact OE2-NE 3.28Å; E239-R242 IonicContact OE2-NH1 3.16Å; E239-R242 PolarHBondContact OE2-NH1 2.87Å; E239-T243 PolarHBondContact O-N 2.9Å |
| 240 | R | 82.4 | Confident | 73.3 | Confident | 120 Ų | 120 | 90.6 Ų | 90.6 | 45% | 0.453 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -52.4 | -49.2 | 170.4 | -76.7 | 178.7 | 153.5 | 160.7 | -3 | 110.8 | T236 E237 R242 T243 V244 | T236-R240 PolarHBondContact O-N 3.21Å; E237-R240 WeakPolarHBondContact O-CB 3.49Å; E237-R240 PolarHBondContact O-N 2.86Å; E237-R240 VanDerWaalsContact OE2-CD 3.27Å; E237-R240 WeakPolarHBondContact OE2-CD 3.47Å; R240-R242 VanDerWaalsContact C-N 3.33Å; R240-R242 PolarHBondContact O-N 2.9Å; R240-T243 PolarHBondContact O-N 3.37Å; R240-T243 VanDerWaalsContact O-N 3.07Å; R240-T243 PolarHBondContact O-OG1 3.23Å; R240-V244 WeakPolarHBondContact O-CG2 3.33Å; R240-V244 PolarHBondContact O-N 2.83Å |
| 241 | L | 84.4 | Confident | 75.6 | Confident | 3 Ų | 3 | 84.4 Ų | 84.4 | 2% | 0.016 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.9 | -31.3 | 176.5 | -64 | 168.4 | 0 | 0 | 0 | 113.2 | E237 E239 L245 L251 I265 Y268 L269 | E237-L241 HydrophobicContact CG-CD1 4.15Å; E237-L241 HydrophobicContact CG-CG 4.49Å; E237-L241 VanDerWaalsContact O-CG 3.27Å; E237-L241 WeakPolarHBondContact O-CG 3.43Å; E237-L241 PolarHBondContact O-N 3.15Å; E237-L241 WeakPolarHBondContact OE1-CG 3.39Å; E239-L241 VanDerWaalsContact C-N 3.28Å; E239-L241 PolarHBondContact O-N 2.82Å; L241-L245 WeakPolarHBondContact O-CB 3.47Å; L241-L245 PolarHBondContact O-N 3.03Å; L241-L251 HydrophobicContact CB-CD1 4.24Å; L241-L251 HydrophobicContact CB-CD2 4.49Å; L241-L251 HydrophobicContact CD2-CD1 4.17Å; L241-L251 HydrophobicContact CD2-CD2 3.85Å; L241-I265 HydrophobicContact CB-CD1 4.3Å; L241-I265 HydrophobicContact CB-CG1 4.1Å; L241-I265 HydrophobicContact CB-CG2 3.88Å; L241-I265 HydrophobicContact CD1-CG2 3.95Å; L241-Y268 HydrophobicContact CD1-CD1 3.88Å; L241-Y268 HydrophobicContact CD1-CE1 3.87Å; L241-Y268 HydrophobicContact CD2-CD1 3.9Å; L241-Y268 HydrophobicContact CD2-CE1 3.52Å; L241-Y268 HydrophobicContact CG-CE1 4.37Å; L241-L269 HydrophobicContact CD1-CD2 3.97Å; L241-L269 HydrophobicContact CD1-CG 4.4Å |
| 242 | R | 85.2 | Confident | 77 | Confident | 111 Ų | 111 | 77.3 Ų | 77.3 | 42% | 0.419 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.1 | -47.4 | 167.8 | -71.7 | -178 | -162 | 100.3 | 0.8 | 111.4 | R238 E239 R240 V244 L245 K246 I265 | R238-R242 WeakPolarHBondContact O-CG 3.45Å; R238-R242 PolarHBondContact O-N 3.31Å; E239-R242 WeakPolarHBondContact O-CA 3.47Å; E239-R242 WeakPolarHBondContact O-CB 3.32Å; E239-R242 PolarHBondContact O-N 2.92Å; E239-R242 VanDerWaalsContact OE2-CD 3.3Å; E239-R242 WeakPolarHBondContact OE2-CD 3.37Å; E239-R242 IonicContact OE2-CZ 2.65Å; E239-R242 IonicContact OE2-NE 3.28Å; E239-R242 IonicContact OE2-NH1 3.16Å; E239-R242 PolarHBondContact OE2-NH1 2.87Å; R240-R242 VanDerWaalsContact C-N 3.33Å; R240-R242 PolarHBondContact O-N 2.9Å; R242-V244 PolarHBondContact O-N 2.84Å; R242-L245 PolarHBondContact O-N 3.15Å; R242-K246 WeakPolarHBondContact O-CB 3.39Å; R242-K246 PolarHBondContact O-N 2.9Å; R242-I265 HydrophobicContact CB-CD1 4.07Å; R242-I265 HydrophobicContact CG-CD1 3.3Å |
| 243 | T | 81.6 | Confident | 78.6 | Confident | 58 Ų | 58 | 74.3 Ų | 74.3 | 36% | 0.356 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | -179.7 | 69.8 | 0 | 0 | 0 | 0 | 112.5 | E239 R240 K246 R247 | E239-T243 PolarHBondContact O-N 2.9Å; R240-T243 PolarHBondContact O-N 3.37Å; R240-T243 VanDerWaalsContact O-N 3.07Å; R240-T243 PolarHBondContact O-OG1 3.23Å; T243-K246 PolarHBondContact O-N 3.18Å; T243-R247 WeakPolarHBondContact O-CB 3.36Å; T243-R247 VanDerWaalsContact O-CG 3.3Å; T243-R247 WeakPolarHBondContact O-CG 3.48Å; T243-R247 PolarHBondContact O-N 3.12Å |
| 244 | V | 80.6 | Confident | 79.3 | Confident | 17 Ų | 17 | 73.7 Ų | 73.7 | 10% | 0.103 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.8 | -47.1 | 177.2 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | N221 R240 R242 K246 R247 L248 L251 | N221-V244 HydrophobicContact CB-CG1 3.91Å; N221-V244 VanDerWaalsContact ND2-CG1 3.28Å; N221-V244 WeakPolarHBondContact ND2-CG1 3.46Å; R240-V244 WeakPolarHBondContact O-CG2 3.33Å; R240-V244 PolarHBondContact O-N 2.83Å; R242-V244 PolarHBondContact O-N 2.84Å; V244-K246 VanDerWaalsContact C-N 3.28Å; V244-K246 PolarHBondContact O-N 3.42Å; V244-R247 PolarHBondContact O-N 3.44Å; V244-R247 VanDerWaalsContact O-N 3.13Å; V244-L248 HydrophobicContact CG1-CD1 4.16Å; V244-L248 PolarHBondContact O-N 3.47Å; V244-L251 HydrophobicContact CB-CD2 3.97Å; V244-L251 HydrophobicContact CG1-CD2 3.7Å |
| 245 | L | 85.4 | Confident | 79.5 | Confident | 37 Ų | 37 | 74.3 Ų | 74.3 | 19% | 0.194 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 176 | -177.6 | 62.3 | 0 | 0 | 0 | 111.7 | L241 R242 G249 L251 I265 | L241-L245 WeakPolarHBondContact O-CB 3.47Å; L241-L245 PolarHBondContact O-N 3.03Å; R242-L245 PolarHBondContact O-N 3.15Å; L245-G249 WeakPolarHBondContact CD1-O 3.47Å; L245-G249 VanDerWaalsContact O-CA 3.28Å; L245-G249 WeakPolarHBondContact O-CA 3.41Å; L245-G249 PolarHBondContact O-N 2.82Å; L245-L251 HydrophobicContact CB-CD2 4.32Å; L245-L251 HydrophobicContact CB-CG 4.3Å; L245-L251 HydrophobicContact CD1-CG 4.41Å; L245-I265 HydrophobicContact CD2-CG1 3.96Å |
| 246 | K | 82.6 | Confident | 79.4 | Confident | 192 Ų | 192 | 79 Ų | 79 | 84% | 0.835 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -69.5 | -27 | 176.2 | -172.2 | 173.5 | -177.9 | 177 | 0 | 113.6 | R242 T243 V244 | R242-K246 WeakPolarHBondContact O-CB 3.39Å; R242-K246 PolarHBondContact O-N 2.9Å; T243-K246 PolarHBondContact O-N 3.18Å; V244-K246 VanDerWaalsContact C-N 3.28Å; V244-K246 PolarHBondContact O-N 3.42Å |
| 247 | R | 74 | Confident | 78.9 | Confident | 209 Ų | 209 | 81 Ų | 81 | 79% | 0.789 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -87.8 | -35.6 | 177.7 | -74.7 | 175 | -179.2 | -174.6 | 2.5 | 113.7 | T243 V244 | T243-R247 WeakPolarHBondContact O-CB 3.36Å; T243-R247 VanDerWaalsContact O-CG 3.3Å; T243-R247 WeakPolarHBondContact O-CG 3.48Å; T243-R247 PolarHBondContact O-N 3.12Å; V244-R247 PolarHBondContact O-N 3.44Å; V244-R247 VanDerWaalsContact O-N 3.13Å |
| 248 | L | 74.8 | Confident | 78.8 | Confident | 65 Ų | 65 | 79.7 Ų | 79.7 | 34% | 0.34 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -119.8 | -5 | -168.2 | -61.1 | 177.6 | 0 | 0 | 0 | 114.5 | N221 V244 K250 | N221-L248 HydrophobicContact CB-CD1 4.28Å; N221-L248 WeakPolarHBondContact OD1-CD1 3.41Å; V244-L248 HydrophobicContact CG1-CD1 4.16Å; V244-L248 PolarHBondContact O-N 3.47Å; L248-K250 PolarHBondContact O-N 2.89Å |
| 249 | G | 79.6 | Confident | 78.6 | Confident | 49 Ų | 49 | 81.8 Ų | 81.8 | 51% | 0.505 | 40% | 0.403 | S | S | . | . | S | Bend | trans | 70.2 | -14.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | L245 | L245-G249 WeakPolarHBondContact CD1-O 3.47Å; L245-G249 VanDerWaalsContact O-CA 3.28Å; L245-G249 WeakPolarHBondContact O-CA 3.41Å; L245-G249 PolarHBondContact O-N 2.82Å |
| 250 | K | 83.7 | Confident | 78.5 | Confident | 100 Ų | 100 | 79.5 Ų | 79.5 | 44% | 0.435 | 40% | 0.398 | S | S | . | . | trans | -149.1 | 139.5 | 177.8 | 59.8 | -169.4 | 172.6 | -173.9 | 0 | 112.3 | L248 F262 | L248-K250 PolarHBondContact O-N 2.89Å; K250-F262 WeakPolarHBondContact CA-O 3.37Å | ||
| 251 | L | 84.4 | Confident | 78.6 | Confident | 2 Ų | 2 | 76.9 Ų | 76.9 | 1% | 0.01 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 151.3 | 165.1 | -59.6 | 171.3 | 0 | 0 | 0 | 108.8 | L241 V244 L245 S261 F262 I265 Y268 | L241-L251 HydrophobicContact CB-CD1 4.24Å; L241-L251 HydrophobicContact CB-CD2 4.49Å; L241-L251 HydrophobicContact CD2-CD1 4.17Å; L241-L251 HydrophobicContact CD2-CD2 3.85Å; V244-L251 HydrophobicContact CB-CD2 3.97Å; V244-L251 HydrophobicContact CG1-CD2 3.7Å; L245-L251 HydrophobicContact CB-CD2 4.32Å; L245-L251 HydrophobicContact CB-CG 4.3Å; L245-L251 HydrophobicContact CD1-CG 4.41Å; L251-S261 CarbonylContact O-C 3.56Å; L251-S261 WeakPolarHBondContact O-CA 3.46Å; L251-S261 WeakPolarHBondContact O-CB 3.21Å; L251-F262 PolarHBondContact N-O 3.37Å; L251-F262 PolarHBondContact O-N 2.82Å; L251-I265 HydrophobicContact CD1-CB 4.35Å; L251-I265 HydrophobicContact CD1-CG1 3.98Å; L251-Y268 HydrophobicContact CB-CD2 3.91Å; L251-Y268 HydrophobicContact CB-CE2 4.49Å; L251-Y268 HydrophobicContact CB-CG 3.97Å; L251-Y268 HydrophobicContact CD1-CD1 4Å; L251-Y268 HydrophobicContact CD1-CG 3.88Å |
| 252 | R | 82.4 | Confident | 78.6 | Confident | 53 Ų | 53 | 79 Ų | 79 | 20% | 0.2 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 149.5 | 175.7 | -56.9 | -143 | -58.1 | -119.4 | 23 | 110.7 | N219 S260 Y268 | N219-R252 PolarHBondContact O-NE 3.3Å; N219-R252 PolarHBondContact O-NH2 2.84Å; N219-R252 PolarHBondContact OD1-NH1 2.92Å; N219-R252 PolarHBondContact OD1-NH2 2.98Å; R252-S260 WeakPolarHBondContact CA-O 3.48Å; R252-Y268 VanDerWaalsContact O-CE2 3.28Å; R252-Y268 WeakPolarHBondContact O-CE2 3.14Å |
| 253 | C | 83.8 | Confident | 78.8 | Confident | 13 Ų | 13 | 79.4 Ų | 79.4 | 9% | 0.088 | 42% | 0.422 | C | S | . | . | trans | -64.6 | 142.5 | 172 | -152.1 | 0 | 0 | 0 | 0 | 110.4 | C258 S260 H271 | C253-C258 HydrophobicContact CB-CB 3.96Å; C253-S260 PolarHBondContact N-O 3.18Å; C253-H271 WeakPolarHBondContact CB-NE2 3.31Å; C253-H271 PolarHBondContact SG-NE2 3.45Å | ||
| 254 | M | 72.6 | Confident | 79 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 37% | 0.365 | 42% | 0.424 | S | S | . | . | trans | -98.8 | 3.4 | 177.6 | -65.4 | 177 | 68 | 0 | 0 | 113 | L223 I225 | L223-M254 HydrophobicContact CB-CE 3.86Å; L223-M254 HydrophobicContact CB-SD 3.91Å; L223-M254 HydrophobicContact CD1-SD 3.7Å; L223-M254 HydrophobicContact CG-SD 4.41Å; I225-M254 HydrophobicContact CG1-CE 4.21Å | ||
| 255 | R | 71.8 | Confident | 79.3 | Confident | 93 Ų | 93 | 79.5 Ų | 79.5 | 35% | 0.351 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -82.2 | 131.7 | 175.5 | -57.2 | -166.5 | -165.4 | -149.6 | 14 | 109.6 | S257 C258 V272 C275 G276 | R255-S257 VanDerWaalsContact C-N 3.26Å; R255-S257 PolarHBondContact O-N 2.92Å; R255-S257 VanDerWaalsContact O-N 3.16Å; R255-C258 HydrophobicContact CB-CB 4.41Å; R255-C258 PolarHBondContact O-N 2.83Å; R255-V272 PolarHBondContact NH2-O 3.45Å; R255-C275 PolarHBondContact NE-O 3Å; R255-C275 PolarHBondContact NH1-O 2.86Å; R255-C275 PolarHBondContact NH2-O 3.07Å; R255-G276 PolarHBondContact NH1-O 2.88Å |
| 256 | E | 62.5 | Low | 79.3 | Confident | 180 Ų | 180 | 84.5 Ų | 84.5 | 84% | 0.841 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -35.5 | -169.8 | -63.8 | 167.1 | 161.1 | 0 | 0 | 113.6 | C258 | E256-C258 VanDerWaalsContact C-N 3.27Å; E256-C258 PolarHBondContact O-N 2.65Å |
| 257 | S | 63.2 | Low | 79.3 | Confident | 113 Ų | 113 | 76.6 Ų | 76.6 | 79% | 0.79 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | 6.7 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 115 | R255 | R255-S257 VanDerWaalsContact C-N 3.26Å; R255-S257 PolarHBondContact O-N 2.92Å; R255-S257 VanDerWaalsContact O-N 3.16Å |
| 258 | C | 76.6 | Confident | 79.9 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 13% | 0.128 | 39% | 0.387 | C | S | . | . | trans | -131.9 | 109.2 | -172.2 | -170.6 | 0 | 0 | 0 | 0 | 115.1 | C253 R255 E256 S260 H271 C275 | C253-C258 HydrophobicContact CB-CB 3.96Å; R255-C258 HydrophobicContact CB-CB 4.41Å; R255-C258 PolarHBondContact O-N 2.83Å; E256-C258 VanDerWaalsContact C-N 3.27Å; E256-C258 PolarHBondContact O-N 2.65Å; C258-S260 VanDerWaalsContact C-N 3.33Å; C258-S260 PolarHBondContact O-N 3.47Å; C258-S260 VanDerWaalsContact SG-CB 3.51Å; C258-S260 PolarHBondContact SG-OG 3.45Å; C258-H271 PolarHBondContact SG-CE1 3.39Å; C258-H271 PolarHBondContact SG-NE2 2.88Å; C258-C275 WeakPolarHBondContact CB-SG 3.32Å; C258-C275 VanDerWaalsContact SG-SG 3.63Å | ||
| 259 | S | 77.3 | Confident | 80.3 | Confident | 118 Ų | 118 | 66.2 Ų | 66.2 | 83% | 0.825 | 38% | 0.38 | S | S | * | . | trans | -83.4 | 2.9 | 174.7 | 57.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 260 | S | 78.9 | Confident | 80.4 | Confident | 44 Ų | 44 | 69.3 Ų | 69.3 | 31% | 0.308 | 38% | 0.377 | S | S | . | . | trans | -64.5 | 136.5 | -169.6 | -65.2 | 0 | 0 | 0 | 0 | 113.4 | R252 C253 C258 | R252-S260 WeakPolarHBondContact CA-O 3.48Å; C253-S260 PolarHBondContact N-O 3.18Å; C258-S260 VanDerWaalsContact C-N 3.33Å; C258-S260 PolarHBondContact O-N 3.47Å; C258-S260 VanDerWaalsContact SG-CB 3.51Å; C258-S260 PolarHBondContact SG-OG 3.45Å | ||
| 261 | S | 85.1 | Confident | 80.5 | Confident | 65 Ų | 65 | 66 Ų | 66 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 143.9 | 177.4 | 75 | 0 | 0 | 0 | 0 | 113.4 | L251 | L251-S261 CarbonylContact O-C 3.56Å; L251-S261 WeakPolarHBondContact O-CA 3.46Å; L251-S261 WeakPolarHBondContact O-CB 3.21Å |
| 262 | F | 85.6 | Confident | 80.4 | Confident | 48 Ų | 48 | 68.1 Ų | 68.1 | 21% | 0.211 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133 | -168 | -57.5 | -84.7 | 0 | 0 | 0 | 111.9 | K250 L251 S264 Y268 H271 | K250-F262 WeakPolarHBondContact CA-O 3.37Å; L251-F262 PolarHBondContact N-O 3.37Å; L251-F262 PolarHBondContact O-N 2.82Å; F262-S264 VanDerWaalsContact C-N 3.27Å; F262-Y268 HydrophobicContact CD2-CD2 4.11Å; F262-H271 HydrophobicContact CE1-CB 3.96Å; F262-H271 HydrophobicContact CE2-CB 3.69Å; F262-H271 AromaticContact CE2-CD2 3.48Å; F262-H271 VanDerWaalsContact CE2-CD2 3.48Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.09Å; F262-H271 AromaticContact CE2-CG 3.44Å; F262-H271 VanDerWaalsContact CE2-CG 3.44Å; F262-H271 HydrophobicContact CZ-CB 3.35Å; F262-H271 AromaticContact CZ-CD2 3.8Å; F262-H271 AromaticContact CZ-CG 3.25Å; F262-H271 AromaticContact CZ-ND1 3.56Å |
| 263 | T | 87.8 | Confident | 80.3 | Confident | 118 Ų | 118 | 72.8 Ų | 72.8 | 72% | 0.724 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -86.5 | 6 | 172.4 | 51.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 264 | S | 86.4 | Confident | 80 | Confident | 57 Ų | 57 | 74.2 Ų | 74.2 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -140.4 | 132 | -179.8 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | F262 M266 G267 Y268 | F262-S264 VanDerWaalsContact C-N 3.27Å; S264-M266 PolarHBondContact O-N 3.35Å; S264-M266 PolarHBondContact OG-N 3.3Å; S264-G267 PolarHBondContact O-N 3.16Å; S264-G267 VanDerWaalsContact O-N 3.15Å; S264-Y268 PolarHBondContact O-N 2.88Å |
| 265 | I | 87 | Confident | 80.3 | Confident | 21 Ų | 21 | 71.5 Ų | 71.5 | 11% | 0.108 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -56.5 | -40.8 | 175.6 | -56 | 168.9 | 0 | 0 | 0 | 110.7 | R238 L241 R242 L245 L251 G267 Y268 L269 | R238-I265 HydrophobicContact CG-CG2 4.46Å; L241-I265 HydrophobicContact CB-CD1 4.3Å; L241-I265 HydrophobicContact CB-CG1 4.1Å; L241-I265 HydrophobicContact CB-CG2 3.88Å; L241-I265 HydrophobicContact CD1-CG2 3.95Å; R242-I265 HydrophobicContact CB-CD1 4.07Å; R242-I265 HydrophobicContact CG-CD1 3.3Å; L245-I265 HydrophobicContact CD2-CG1 3.96Å; L251-I265 HydrophobicContact CD1-CB 4.35Å; L251-I265 HydrophobicContact CD1-CG1 3.98Å; I265-G267 VanDerWaalsContact C-N 3.33Å; I265-G267 PolarHBondContact O-N 2.89Å; I265-Y268 WeakPolarHBondContact O-CB 2.86Å; I265-Y268 PolarHBondContact O-N 3.44Å; I265-L269 HydrophobicContact CG2-CD1 3.9Å; I265-L269 HydrophobicContact CG2-CG 4.23Å; I265-L269 WeakPolarHBondContact O-CB 3.37Å; I265-L269 WeakPolarHBondContact O-CG 3.29Å; I265-L269 PolarHBondContact O-N 3.04Å |
| 266 | M | 84.3 | Confident | 80.1 | Confident | 142 Ų | 142 | 69.6 Ų | 69.6 | 70% | 0.7 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -71.8 | -29.5 | -178.1 | -165.3 | 152.8 | 62 | 0 | 0 | 112.3 | S264 Y270 | S264-M266 PolarHBondContact O-N 3.35Å; S264-M266 PolarHBondContact OG-N 3.3Å; M266-Y270 WeakPolarHBondContact O-CB 2.85Å; M266-Y270 PolarHBondContact O-N 3.01Å; M266-Y270 VanDerWaalsContact O-N 3.17Å |
| 267 | G | 84.4 | Confident | 80.7 | Confident | 26 Ų | 26 | 64.1 Ų | 64.1 | 27% | 0.268 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -69.7 | -43.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S264 I265 Y270 H271 | S264-G267 PolarHBondContact O-N 3.16Å; S264-G267 VanDerWaalsContact O-N 3.15Å; I265-G267 VanDerWaalsContact C-N 3.33Å; I265-G267 PolarHBondContact O-N 2.89Å; G267-Y270 PolarHBondContact O-N 2.72Å; G267-H271 WeakPolarHBondContact O-CB 3.09Å; G267-H271 PolarHBondContact O-N 3.03Å |
| 268 | Y | 85.2 | Confident | 80.8 | Confident | 22 Ų | 22 | 60.9 Ų | 60.9 | 9% | 0.086 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60 | -49.9 | 174.9 | 174.1 | -105.6 | 0 | 0 | 0 | 112.3 | L241 L251 R252 F262 S264 I265 Y270 H271 V272 | L241-Y268 HydrophobicContact CD1-CD1 3.88Å; L241-Y268 HydrophobicContact CD1-CE1 3.87Å; L241-Y268 HydrophobicContact CD2-CD1 3.9Å; L241-Y268 HydrophobicContact CD2-CE1 3.52Å; L241-Y268 HydrophobicContact CG-CE1 4.37Å; L251-Y268 HydrophobicContact CB-CD2 3.91Å; L251-Y268 HydrophobicContact CB-CE2 4.49Å; L251-Y268 HydrophobicContact CB-CG 3.97Å; L251-Y268 HydrophobicContact CD1-CD1 4Å; L251-Y268 HydrophobicContact CD1-CG 3.88Å; R252-Y268 VanDerWaalsContact O-CE2 3.28Å; R252-Y268 WeakPolarHBondContact O-CE2 3.14Å; F262-Y268 HydrophobicContact CD2-CD2 4.11Å; S264-Y268 PolarHBondContact O-N 2.88Å; I265-Y268 WeakPolarHBondContact O-CB 2.86Å; I265-Y268 PolarHBondContact O-N 3.44Å; Y268-Y270 PolarHBondContact O-N 3.25Å; Y268-H271 CarbonylContact O-C 3.51Å; Y268-H271 WeakPolarHBondContact O-CB 3.19Å; Y268-H271 PolarHBondContact O-N 3.18Å; Y268-H271 VanDerWaalsContact O-N 3.11Å; Y268-V272 HydrophobicContact CD1-CG2 4.29Å; Y268-V272 HydrophobicContact CD2-CG2 3.97Å; Y268-V272 HydrophobicContact CE1-CG2 3.91Å; Y268-V272 HydrophobicContact CE2-CG2 3.53Å; Y268-V272 HydrophobicContact CG-CG2 4.34Å; Y268-V272 WeakPolarHBondContact O-CG2 3.26Å; Y268-V272 PolarHBondContact O-N 2.7Å |
| 269 | L | 83.7 | Confident | 80.1 | Confident | 34 Ų | 34 | 64 Ų | 64 | 18% | 0.178 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.3 | -40 | 178.8 | -69 | 173.2 | 0 | 0 | 0 | 112.5 | L241 I265 H271 R273 | L241-L269 HydrophobicContact CD1-CD2 3.97Å; L241-L269 HydrophobicContact CD1-CG 4.4Å; I265-L269 HydrophobicContact CG2-CD1 3.9Å; I265-L269 HydrophobicContact CG2-CG 4.23Å; I265-L269 WeakPolarHBondContact O-CB 3.37Å; I265-L269 WeakPolarHBondContact O-CG 3.29Å; I265-L269 PolarHBondContact O-N 3.04Å; L269-H271 VanDerWaalsContact C-N 3.3Å; L269-H271 PolarHBondContact O-N 2.98Å; L269-R273 WeakPolarHBondContact O-CB 3.28Å; L269-R273 PolarHBondContact O-N 3.11Å |
| 270 | Y | 82.3 | Confident | 79.3 | Confident | 114 Ų | 114 | 61.5 Ų | 61.5 | 45% | 0.447 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 172.9 | 174.4 | -100.6 | 0 | 0 | 0 | 112 | M266 G267 Y268 K274 | M266-Y270 WeakPolarHBondContact O-CB 2.85Å; M266-Y270 PolarHBondContact O-N 3.01Å; M266-Y270 VanDerWaalsContact O-N 3.17Å; G267-Y270 PolarHBondContact O-N 2.72Å; Y268-Y270 PolarHBondContact O-N 3.25Å; Y270-K274 HydrophobicContact CE1-CD 4.38Å; Y270-K274 HydrophobicContact CE2-CD 4.12Å; Y270-K274 PolarHBondContact OH-NZ 2.81Å |
| 271 | H | 84.8 | Confident | 78.8 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 13% | 0.134 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.3 | -49.9 | 176.4 | 170.7 | 79.8 | 0 | 0 | 0 | 112.6 | C253 C258 F262 G267 Y268 L269 R273 K274 C275 | C253-H271 WeakPolarHBondContact CB-NE2 3.31Å; C253-H271 PolarHBondContact SG-NE2 3.45Å; C258-H271 PolarHBondContact SG-CE1 3.39Å; C258-H271 PolarHBondContact SG-NE2 2.88Å; F262-H271 HydrophobicContact CE1-CB 3.96Å; F262-H271 HydrophobicContact CE2-CB 3.69Å; F262-H271 AromaticContact CE2-CD2 3.48Å; F262-H271 VanDerWaalsContact CE2-CD2 3.48Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.09Å; F262-H271 AromaticContact CE2-CG 3.44Å; F262-H271 VanDerWaalsContact CE2-CG 3.44Å; F262-H271 HydrophobicContact CZ-CB 3.35Å; F262-H271 AromaticContact CZ-CD2 3.8Å; F262-H271 AromaticContact CZ-CG 3.25Å; F262-H271 AromaticContact CZ-ND1 3.56Å; G267-H271 WeakPolarHBondContact O-CB 3.09Å; G267-H271 PolarHBondContact O-N 3.03Å; Y268-H271 CarbonylContact O-C 3.51Å; Y268-H271 WeakPolarHBondContact O-CB 3.19Å; Y268-H271 PolarHBondContact O-N 3.18Å; Y268-H271 VanDerWaalsContact O-N 3.11Å; L269-H271 VanDerWaalsContact C-N 3.3Å; L269-H271 PolarHBondContact O-N 2.98Å; H271-R273 PolarHBondContact O-N 3.33Å; H271-K274 PolarHBondContact O-N 3.49Å; H271-C275 WeakPolarHBondContact O-CB 3.46Å; H271-C275 PolarHBondContact O-N 2.84Å |
| 272 | V | 82.6 | Confident | 77.8 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 29% | 0.285 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.9 | -35.2 | -179.5 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | R255 Y268 K274 | R255-V272 PolarHBondContact NH2-O 3.45Å; Y268-V272 HydrophobicContact CD1-CG2 4.29Å; Y268-V272 HydrophobicContact CD2-CG2 3.97Å; Y268-V272 HydrophobicContact CE1-CG2 3.91Å; Y268-V272 HydrophobicContact CE2-CG2 3.53Å; Y268-V272 HydrophobicContact CG-CG2 4.34Å; Y268-V272 WeakPolarHBondContact O-CG2 3.26Å; Y268-V272 PolarHBondContact O-N 2.7Å; V272-K274 PolarHBondContact O-N 2.96Å |
| 273 | R | 81.3 | Confident | 76.7 | Confident | 152 Ų | 152 | 66.4 Ų | 66.4 | 57% | 0.574 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -19.4 | 175.6 | -168.6 | 175.1 | -62.2 | 176.9 | 0.2 | 114.2 | L269 H271 K277 M285 | L269-R273 WeakPolarHBondContact O-CB 3.28Å; L269-R273 PolarHBondContact O-N 3.11Å; H271-R273 PolarHBondContact O-N 3.33Å; R273-K277 WeakPolarHBondContact O-CD 3.48Å; R273-M285 HydrophobicContact CG-SD 4.37Å |
| 274 | K | 76.5 | Confident | 75.7 | Confident | 42 Ų | 42 | 69.7 Ų | 69.7 | 18% | 0.183 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -27.4 | -173.2 | -74.5 | -171.2 | 162.3 | -163.8 | 0 | 115.6 | Y270 H271 V272 L282 R297 | Y270-K274 HydrophobicContact CE1-CD 4.38Å; Y270-K274 HydrophobicContact CE2-CD 4.12Å; Y270-K274 PolarHBondContact OH-NZ 2.81Å; H271-K274 PolarHBondContact O-N 3.49Å; V272-K274 PolarHBondContact O-N 2.96Å; K274-L282 HydrophobicContact CB-CD1 4.31Å; K274-L282 HydrophobicContact CD-CD1 3.87Å; K274-L282 HydrophobicContact CG-CD1 3.96Å; K274-R297 PolarHBondContact NZ-O 3.43Å |
| 275 | C | 79.1 | Confident | 74.9 | Confident | 17 Ų | 17 | 70.7 Ų | 70.7 | 12% | 0.115 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 141.5 | 174.3 | -171.2 | 0 | 0 | 0 | 0 | 109.5 | R255 C258 H271 K277 | R255-C275 PolarHBondContact NE-O 3Å; R255-C275 PolarHBondContact NH1-O 2.86Å; R255-C275 PolarHBondContact NH2-O 3.07Å; C258-C275 WeakPolarHBondContact CB-SG 3.32Å; C258-C275 VanDerWaalsContact SG-SG 3.63Å; H271-C275 WeakPolarHBondContact O-CB 3.46Å; H271-C275 PolarHBondContact O-N 2.84Å; C275-K277 VanDerWaalsContact C-N 3.29Å; C275-K277 PolarHBondContact O-N 3.34Å |
| 276 | G | 68.2 | Low | 74.6 | Confident | 54 Ų | 54 | 70.7 Ų | 70.7 | 56% | 0.557 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 42 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | R255 | R255-G276 PolarHBondContact NH1-O 2.88Š|
| 277 | K | 74.5 | Confident | 74.5 | Confident | 65 Ų | 65 | 67.4 Ų | 67.4 | 28% | 0.283 | 37% | 0.369 | S | S | . | . | trans | -120 | 141 | 169.5 | -73.4 | -162.7 | 160.1 | -102.6 | 0 | 109.7 | R273 C275 E281 M285 | R273-K277 WeakPolarHBondContact O-CD 3.48Å; C275-K277 VanDerWaalsContact C-N 3.29Å; C275-K277 PolarHBondContact O-N 3.34Å; K277-E281 HydrophobicContact CB-CB 4.16Å; K277-E281 VanDerWaalsContact CB-OE2 3.3Å; K277-E281 WeakPolarHBondContact CB-OE2 3.39Å; K277-E281 HydrophobicContact CD-CB 4.34Å; K277-E281 WeakPolarHBondContact CD-OE2 3.38Å; K277-E281 WeakPolarHBondContact CE-OE2 3.46Å; K277-E281 WeakPolarHBondContact CG-OE2 3.37Å; K277-E281 IonicContact NZ-OE1 2.88Å; K277-E281 PolarHBondContact NZ-OE1 2.93Å; K277-E281 IonicContact NZ-OE2 2.87Å; K277-E281 PolarHBondContact NZ-OE2 2.83Å; K277-M285 HydrophobicContact CD-CE 4.45Å | ||
| 278 | G | 65.9 | Low | 74.7 | Confident | 45 Ų | 45 | 73.7 Ų | 73.7 | 46% | 0.464 | 39% | 0.389 | S | S | . | . | trans | -65.7 | 159 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A280 E281 L282 | G278-A280 VanDerWaalsContact C-N 3.27Å; G278-A280 PolarHBondContact O-N 3.37Å; G278-E281 PolarHBondContact O-N 3.18Å; G278-L282 PolarHBondContact O-N 3.15Å | ||
| 279 | A | 61 | Low | 74.9 | Confident | 84 Ų | 84 | 72.9 Ų | 72.9 | 69% | 0.694 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -54.1 | -42.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E281 L282 E283 | A279-E281 PolarHBondContact O-N 2.86Å; A279-L282 WeakPolarHBondContact O-CB 3.12Å; A279-L282 PolarHBondContact O-N 2.94Å; A279-E283 WeakPolarHBondContact O-CB 3.39Å; A279-E283 PolarHBondContact O-N 2.87Å |
| 280 | A | 60.3 | Low | 75.1 | Confident | 65 Ų | 65 | 79.9 Ų | 79.9 | 54% | 0.537 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.5 | -33.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | G278 K284 | G278-A280 VanDerWaalsContact C-N 3.27Å; G278-A280 PolarHBondContact O-N 3.37Å; A280-K284 WeakPolarHBondContact O-CG 3.43Å; A280-K284 PolarHBondContact O-N 3.32Å |
| 281 | E | 68.9 | Low | 75.1 | Confident | 86 Ų | 86 | 80.4 Ų | 80.4 | 40% | 0.402 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -71.6 | -39.7 | 171.8 | -73 | -155.3 | 116.3 | 0 | 0 | 111.7 | K277 G278 A279 E283 K284 M285 | K277-E281 HydrophobicContact CB-CB 4.16Å; K277-E281 VanDerWaalsContact CB-OE2 3.3Å; K277-E281 WeakPolarHBondContact CB-OE2 3.39Å; K277-E281 HydrophobicContact CD-CB 4.34Å; K277-E281 WeakPolarHBondContact CD-OE2 3.38Å; K277-E281 WeakPolarHBondContact CE-OE2 3.46Å; K277-E281 WeakPolarHBondContact CG-OE2 3.37Å; K277-E281 IonicContact NZ-OE1 2.88Å; K277-E281 PolarHBondContact NZ-OE1 2.93Å; K277-E281 IonicContact NZ-OE2 2.87Å; K277-E281 PolarHBondContact NZ-OE2 2.83Å; G278-E281 PolarHBondContact O-N 3.18Å; A279-E281 PolarHBondContact O-N 2.86Å; E281-E283 PolarHBondContact O-N 3.09Å; E281-K284 PolarHBondContact O-N 2.99Å; E281-M285 WeakPolarHBondContact O-CG 3.1Å; E281-M285 PolarHBondContact O-N 3.48Å |
| 282 | L | 63.7 | Low | 75.2 | Confident | 46 Ų | 46 | 81.5 Ų | 81.5 | 24% | 0.241 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.5 | -32 | 177.1 | -168.5 | 68.3 | 0 | 0 | 0 | 111.5 | K274 G278 A279 M285 T286 | K274-L282 HydrophobicContact CB-CD1 4.31Å; K274-L282 HydrophobicContact CD-CD1 3.87Å; K274-L282 HydrophobicContact CG-CD1 3.96Å; G278-L282 PolarHBondContact O-N 3.15Å; A279-L282 WeakPolarHBondContact O-CB 3.12Å; A279-L282 PolarHBondContact O-N 2.94Å; L282-M285 CarbonylContact O-C 3.59Å; L282-M285 PolarHBondContact O-N 3.45Å; L282-T286 PolarHBondContact O-N 3.2Å; L282-T286 PolarHBondContact O-OG1 3.29Å |
| 283 | E | 62.6 | Low | 75.2 | Confident | 128 Ų | 128 | 81.3 Ų | 81.3 | 60% | 0.598 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -69.6 | -46.4 | 170.7 | -177.8 | 155.8 | -132.1 | 0 | 0 | 112.6 | A279 E281 M285 T286 | A279-E283 WeakPolarHBondContact O-CB 3.39Å; A279-E283 PolarHBondContact O-N 2.87Å; E281-E283 PolarHBondContact O-N 3.09Å; E283-M285 PolarHBondContact O-N 3.39Å; E283-M285 VanDerWaalsContact O-N 3.11Å; E283-T286 WeakPolarHBondContact O-CA 3.31Å; E283-T286 WeakPolarHBondContact O-CB 3.45Å; E283-T286 PolarHBondContact O-N 3.26Å; E283-T286 PolarHBondContact O-OG1 3.32Å |
| 284 | K | 67.7 | Low | 75.6 | Confident | 187 Ų | 187 | 78.8 Ų | 78.8 | 81% | 0.813 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.6 | -26.7 | 170.9 | -72.6 | 172.8 | -178.4 | -177 | 0 | 112.9 | A280 E281 | A280-K284 WeakPolarHBondContact O-CG 3.43Å; A280-K284 PolarHBondContact O-N 3.32Å; E281-K284 PolarHBondContact O-N 2.99Å |
| 285 | M | 68.2 | Low | 76 | Confident | 79 Ų | 79 | 81 Ų | 81 | 39% | 0.389 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 14.2 | 172.6 | -66 | -168.2 | 175.5 | 0 | 0 | 114.8 | R273 K277 E281 L282 E283 | R273-M285 HydrophobicContact CG-SD 4.37Å; K277-M285 HydrophobicContact CD-CE 4.45Å; E281-M285 WeakPolarHBondContact O-CG 3.1Å; E281-M285 PolarHBondContact O-N 3.48Å; L282-M285 CarbonylContact O-C 3.59Å; L282-M285 PolarHBondContact O-N 3.45Å; E283-M285 PolarHBondContact O-N 3.39Å; E283-M285 VanDerWaalsContact O-N 3.11Å |
| 286 | T | 80.8 | Confident | 76.3 | Confident | 20 Ų | 20 | 82.5 Ų | 82.5 | 12% | 0.123 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -98.5 | 118.6 | 178.4 | -59.8 | 0 | 0 | 0 | 0 | 110.5 | L282 E283 P295 R297 | L282-T286 PolarHBondContact O-N 3.2Å; L282-T286 PolarHBondContact O-OG1 3.29Å; E283-T286 WeakPolarHBondContact O-CA 3.31Å; E283-T286 WeakPolarHBondContact O-CB 3.45Å; E283-T286 PolarHBondContact O-N 3.26Å; E283-T286 PolarHBondContact O-OG1 3.32Å; T286-P295 HydrophobicContact CG2-CB 3.61Å; T286-R297 WeakPolarHBondContact OG1-CD 3.43Å; T286-R297 PolarHBondContact OG1-NE 3.25Å |
| 287 | L | 82.8 | Confident | 76.8 | Confident | 74 Ų | 74 | 86.1 Ų | 86.1 | 39% | 0.387 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 121.3 | -176.7 | -56.5 | 174.5 | 0 | 0 | 0 | 109.9 | Y296 K299 L302 | L287-Y296 PolarHBondContact N-O 2.96Å; L287-Y296 WeakPolarHBondContact O-CA 3.42Å; L287-Y296 WeakPolarHBondContact O-CB 3.31Å; L287-Y296 PolarHBondContact O-N 3.46Å; L287-K299 HydrophobicContact CD1-CB 3.85Å; L287-K299 HydrophobicContact CD1-CG 4.4Å; L287-L302 HydrophobicContact CB-CD2 3.76Å; L287-L302 HydrophobicContact CD1-CD2 4.33Å |
| 288 | K | 88.8 | Confident | 77.1 | Confident | 158 Ų | 158 | 84.7 Ų | 84.7 | 69% | 0.687 | 45% | 0.452 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 146.4 | 175.4 | -62 | -176.7 | -176.7 | -178.3 | 0 | 110.8 | K294 | K288-K294 CarbonylContact C-O 3.44Å; K288-K294 WeakPolarHBondContact CA-O 3.48Å |
| 289 | C | 89.9 | Confident | 77.9 | Confident | 5 Ų | 5 | 90.6 Ų | 90.6 | 3% | 0.034 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 135.1 | 167.7 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | H291 G293 K294 Y296 L302 H305 | C289-H291 PolarHBondContact SG-N 2.91Å; C289-G293 WeakPolarHBondContact O-CA 3.42Å; C289-G293 PolarHBondContact O-N 3.34Å; C289-K294 PolarHBondContact N-O 3.03Å; C289-Y296 HydrophobicContact CB-CE2 4.14Å; C289-L302 HydrophobicContact CB-CD1 3.83Å; C289-H305 VanDerWaalsContact CB-NE2 3.3Å; C289-H305 WeakPolarHBondContact CB-NE2 3.4Å; C289-H305 PolarHBondContact SG-NE2 2.86Å |
| 290 | H | 86.7 | Confident | 78.9 | Confident | 180 Ų | 180 | 90.1 Ų | 90.1 | 83% | 0.833 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -34.8 | 177.8 | -170.8 | 55.5 | 0 | 0 | 0 | 112.7 | ||
| 291 | H | 82.7 | Confident | 80.1 | Confident | 125 Ų | 125 | 88.2 Ų | 88.2 | 58% | 0.579 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -15.9 | -175.6 | -56.7 | -72.4 | 0 | 0 | 0 | 115 | C289 H310 | C289-H291 PolarHBondContact SG-N 2.91Å; H291-H310 AromaticContact CD2-CG 3.97Å |
| 292 | C | 87.5 | Confident | 80.9 | Confident | 53 Ų | 53 | 85.2 Ų | 85.2 | 36% | 0.358 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -151.7 | 13.2 | -179 | 68.4 | 0 | 0 | 0 | 0 | 115.4 | K294 H305 H310 | C292-K294 PolarHBondContact O-N 2.96Å; C292-H305 PolarHBondContact SG-CE1 3.08Å; C292-H305 PolarHBondContact SG-NE2 2.86Å; C292-H310 PolarHBondContact SG-NE2 3.11Å |
| 293 | G | 83.1 | Confident | 81.9 | Confident | 42 Ų | 42 | 84.5 Ų | 84.5 | 43% | 0.433 | 44% | 0.436 | S | S | . | . | trans | 68.8 | -17.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | C289 | C289-G293 WeakPolarHBondContact O-CA 3.42Å; C289-G293 PolarHBondContact O-N 3.34Å | ||
| 294 | K | 87.8 | Confident | 83.1 | Confident | 99 Ų | 99 | 86 Ų | 86 | 43% | 0.43 | 44% | 0.437 | S | S | . | . | trans | -50.1 | 129.5 | -171.7 | -72.8 | 178.5 | -173.5 | 173.5 | 0 | 112.2 | K288 C289 C292 Y296 | K288-K294 CarbonylContact C-O 3.44Å; K288-K294 WeakPolarHBondContact CA-O 3.48Å; C289-K294 PolarHBondContact N-O 3.03Å; C292-K294 PolarHBondContact O-N 2.96Å; K294-Y296 HydrophobicContact CB-CE2 3.56Å; K294-Y296 WeakPolarHBondContact CB-OH 3.49Å; K294-Y296 WeakPolarHBondContact O-CD2 3.09Å; K294-Y296 WeakPolarHBondContact O-CE2 3.31Å | ||
| 295 | P | 86.4 | Confident | 84.1 | Confident | 88 Ų | 88 | 77.3 Ų | 77.3 | 57% | 0.571 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 124 | -174.4 | 31.2 | -34 | 0 | 0 | 0 | 113.3 | T286 | T286-P295 HydrophobicContact CG2-CB 3.61Å |
| 296 | Y | 85.1 | Confident | 85.1 | Confident | 50 Ų | 50 | 76.4 Ų | 76.4 | 20% | 0.196 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 122.5 | -178.7 | -67.1 | -81 | 0 | 0 | 0 | 113.2 | L287 C289 K294 S298 L302 H305 | L287-Y296 PolarHBondContact N-O 2.96Å; L287-Y296 WeakPolarHBondContact O-CA 3.42Å; L287-Y296 WeakPolarHBondContact O-CB 3.31Å; L287-Y296 PolarHBondContact O-N 3.46Å; C289-Y296 HydrophobicContact CB-CE2 4.14Å; K294-Y296 HydrophobicContact CB-CE2 3.56Å; K294-Y296 WeakPolarHBondContact CB-OH 3.49Å; K294-Y296 WeakPolarHBondContact O-CD2 3.09Å; K294-Y296 WeakPolarHBondContact O-CE2 3.31Å; Y296-S298 PolarHBondContact O-N 3.36Å; Y296-L302 HydrophobicContact CD2-CB 4.21Å; Y296-L302 HydrophobicContact CD2-CD1 3.8Å; Y296-L302 HydrophobicContact CE2-CD1 4.33Å; Y296-L302 HydrophobicContact CG-CB 4.08Å; Y296-H305 HydrophobicContact CD1-CB 4.5Å; Y296-H305 HydrophobicContact CE1-CB 3.76Å; Y296-H305 HydrophobicContact CE2-CB 4.08Å; Y296-H305 AromaticContact CE2-CD2 3.15Å; Y296-H305 WeakPolarHBondContact CE2-CD2 3.32Å; Y296-H305 AromaticContact CE2-CG 3.64Å; Y296-H305 AromaticContact CE2-NE2 3.78Å; Y296-H305 AromaticContact CZ-CD2 3.39Å; Y296-H305 AromaticContact CZ-CG 3.34Å; Y296-H305 AromaticContact CZ-ND1 3.97Å; Y296-H305 PolarHBondContact OH-CD2 2.86Å; Y296-H305 PolarHBondContact OH-ND1 3.23Å |
| 297 | R | 78.7 | Confident | 85.3 | Confident | 129 Ų | 129 | 83.3 Ų | 83.3 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -69.6 | 2.4 | 179.3 | -64.9 | -82.9 | 151.4 | 89.6 | -5.4 | 113.6 | K274 T286 | K274-R297 PolarHBondContact NZ-O 3.43Å; T286-R297 WeakPolarHBondContact OG1-CD 3.43Å; T286-R297 PolarHBondContact OG1-NE 3.25Å |
| 298 | S | 79.9 | Confident | 85.4 | Confident | 35 Ų | 35 | 82.5 Ų | 82.5 | 25% | 0.245 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -158.5 | 153.1 | 172 | 72.2 | 0 | 0 | 0 | 0 | 113.5 | Y296 A300 G301 L302 | Y296-S298 PolarHBondContact O-N 3.36Å; S298-A300 PolarHBondContact O-N 3.18Å; S298-G301 PolarHBondContact O-N 3.01Å; S298-G301 VanDerWaalsContact O-N 3.14Å; S298-G301 PolarHBondContact OG-N 3.22Å; S298-L302 PolarHBondContact O-N 3.36Å |
| 299 | K | 82.9 | Confident | 85 | Confident | 169 Ų | 169 | 80.4 Ų | 80.4 | 74% | 0.735 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -59.5 | -32.7 | 173.8 | -170.8 | 170.5 | -177.4 | 172.4 | 0 | 112.6 | L287 A303 | L287-K299 HydrophobicContact CD1-CB 3.85Å; L287-K299 HydrophobicContact CD1-CG 4.4Å; K299-A303 WeakPolarHBondContact O-CB 3.5Å; K299-A303 PolarHBondContact O-N 3.46Å |
| 300 | A | 82.5 | Confident | 84.6 | Confident | 74 Ų | 74 | 83.1 Ų | 83.1 | 61% | 0.612 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -69.6 | -39.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S298 Y304 | S298-A300 PolarHBondContact O-N 3.18Å; A300-Y304 PolarHBondContact O-N 3.18Å |
| 301 | G | 84.6 | Confident | 84 | Confident | 25 Ų | 25 | 75.7 Ų | 75.7 | 26% | 0.258 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.1 | -47.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S298 A303 Y304 H305 | S298-G301 PolarHBondContact O-N 3.01Å; S298-G301 VanDerWaalsContact O-N 3.14Å; S298-G301 PolarHBondContact OG-N 3.22Å; G301-A303 VanDerWaalsContact C-N 3.34Å; G301-A303 PolarHBondContact O-N 3.42Å; G301-Y304 WeakPolarHBondContact O-CB 3.45Å; G301-Y304 PolarHBondContact O-N 2.97Å; G301-Y304 VanDerWaalsContact O-N 3.14Å; G301-H305 PolarHBondContact O-N 3.36Å |
| 302 | L | 86.4 | Confident | 83.1 | Confident | 24 Ų | 24 | 76 Ų | 76 | 13% | 0.126 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -57.1 | -47.5 | 172.6 | 174.7 | 55.9 | 0 | 0 | 0 | 111 | L287 C289 Y296 S298 Y304 H305 L306 | L287-L302 HydrophobicContact CB-CD2 3.76Å; L287-L302 HydrophobicContact CD1-CD2 4.33Å; C289-L302 HydrophobicContact CB-CD1 3.83Å; Y296-L302 HydrophobicContact CD2-CB 4.21Å; Y296-L302 HydrophobicContact CD2-CD1 3.8Å; Y296-L302 HydrophobicContact CE2-CD1 4.33Å; Y296-L302 HydrophobicContact CG-CB 4.08Å; S298-L302 PolarHBondContact O-N 3.36Å; L302-Y304 VanDerWaalsContact C-N 3.26Å; L302-Y304 PolarHBondContact O-N 3.3Å; L302-H305 PolarHBondContact O-N 3.43Å; L302-L306 HydrophobicContact CD1-CD1 3.9Å; L302-L306 HydrophobicContact CD1-CG 3.91Å; L302-L306 HydrophobicContact CG-CD1 3.86Å; L302-L306 HydrophobicContact CG-CG 4.35Å; L302-L306 WeakPolarHBondContact O-CB 3.23Å; L302-L306 WeakPolarHBondContact O-CG 3.49Å; L302-L306 PolarHBondContact O-N 3.11Å |
| 303 | A | 84.4 | Confident | 81 | Confident | 31 Ų | 31 | 80.2 Ų | 80.2 | 26% | 0.256 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -67.1 | -23.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | K299 G301 R307 | K299-A303 WeakPolarHBondContact O-CB 3.5Å; K299-A303 PolarHBondContact O-N 3.46Å; G301-A303 VanDerWaalsContact C-N 3.34Å; G301-A303 PolarHBondContact O-N 3.42Å; A303-R307 WeakPolarHBondContact O-CG 3.5Å; A303-R307 PolarHBondContact O-NE 3.44Å; A303-R307 PolarHBondContact O-NH1 2.66Å; A303-R307 PolarHBondContact O-NH2 3.44Å |
| 304 | Y | 87.7 | Confident | 79.1 | Confident | 159 Ų | 159 | 83.9 Ų | 83.9 | 62% | 0.624 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -71.8 | -50.8 | 170.3 | 175 | -91.5 | 0 | 0 | 0 | 110.8 | A300 G301 L302 L306 R307 S308 | A300-Y304 PolarHBondContact O-N 3.18Å; G301-Y304 WeakPolarHBondContact O-CB 3.45Å; G301-Y304 PolarHBondContact O-N 2.97Å; G301-Y304 VanDerWaalsContact O-N 3.14Å; L302-Y304 VanDerWaalsContact C-N 3.26Å; L302-Y304 PolarHBondContact O-N 3.3Å; Y304-L306 VanDerWaalsContact C-N 3.34Å; Y304-L306 PolarHBondContact O-N 3.49Å; Y304-R307 CarbonylContact O-C 3.6Å; Y304-R307 WeakPolarHBondContact O-CA 3.44Å; Y304-R307 WeakPolarHBondContact O-CB 3.46Å; Y304-R307 PolarHBondContact O-N 3.01Å; Y304-S308 PolarHBondContact O-N 2.97Å |
| 305 | H | 88.1 | Confident | 76.6 | Confident | 5 Ų | 5 | 87.5 Ų | 87.5 | 2% | 0.023 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -57.5 | -43 | 176.7 | 158.9 | 59.3 | 0 | 0 | 0 | 112.7 | C289 C292 Y296 G301 L302 R307 S308 E309 H310 | C289-H305 VanDerWaalsContact CB-NE2 3.3Å; C289-H305 WeakPolarHBondContact CB-NE2 3.4Å; C289-H305 PolarHBondContact SG-NE2 2.86Å; C292-H305 PolarHBondContact SG-CE1 3.08Å; C292-H305 PolarHBondContact SG-NE2 2.86Å; Y296-H305 HydrophobicContact CD1-CB 4.5Å; Y296-H305 HydrophobicContact CE1-CB 3.76Å; Y296-H305 HydrophobicContact CE2-CB 4.08Å; Y296-H305 AromaticContact CE2-CD2 3.15Å; Y296-H305 WeakPolarHBondContact CE2-CD2 3.32Å; Y296-H305 AromaticContact CE2-CG 3.64Å; Y296-H305 AromaticContact CE2-NE2 3.78Å; Y296-H305 AromaticContact CZ-CD2 3.39Å; Y296-H305 AromaticContact CZ-CG 3.34Å; Y296-H305 AromaticContact CZ-ND1 3.97Å; Y296-H305 PolarHBondContact OH-CD2 2.86Å; Y296-H305 PolarHBondContact OH-ND1 3.23Å; G301-H305 PolarHBondContact O-N 3.36Å; L302-H305 PolarHBondContact O-N 3.43Å; H305-R307 PolarHBondContact O-N 3.03Å; H305-R307 VanDerWaalsContact O-N 3.11Å; H305-S308 PolarHBondContact O-N 3.26Å; H305-S308 VanDerWaalsContact O-N 3.11Å; H305-S308 PolarHBondContact O-OG 3.45Å; H305-E309 VanDerWaalsContact CE1-CG 3.45Å; H305-E309 WeakPolarHBondContact CE1-CG 3.4Å; H305-E309 WeakPolarHBondContact ND1-CG 3.45Å; H305-E309 PolarHBondContact O-N 3.29Å; H305-H310 AromaticContact CE1-CD2 3.49Å; H305-H310 PolarHBondContact CE1-CD2 2.97Å; H305-H310 VanDerWaalsContact CE1-CD2 3.49Å; H305-H310 AromaticContact CE1-NE2 3.3Å; H305-H310 PolarHBondContact CE1-NE2 2.83Å; H305-H310 VanDerWaalsContact CE1-NE2 3.3Å; H305-H310 AromaticContact NE2-CD2 3.47Å; H305-H310 PolarHBondContact NE2-CD2 3.29Å; H305-H310 AromaticContact NE2-NE2 3.43Å; H305-H310 PolarHBondContact NE2-NE2 3.43Å |
| 306 | L | 89.3 | Confident | 74 | Confident | 59 Ų | 59 | 93.2 Ų | 93.2 | 31% | 0.309 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.2 | -14.4 | 173.2 | -72.7 | 171 | 0 | 0 | 0 | 113.8 | L302 Y304 H310 G311 | L302-L306 HydrophobicContact CD1-CD1 3.9Å; L302-L306 HydrophobicContact CD1-CG 3.91Å; L302-L306 HydrophobicContact CG-CD1 3.86Å; L302-L306 HydrophobicContact CG-CG 4.35Å; L302-L306 WeakPolarHBondContact O-CB 3.23Å; L302-L306 WeakPolarHBondContact O-CG 3.49Å; L302-L306 PolarHBondContact O-N 3.11Å; Y304-L306 VanDerWaalsContact C-N 3.34Å; Y304-L306 PolarHBondContact O-N 3.49Å; L306-H310 HydrophobicContact CD2-CB 4.34Å; L306-H310 CarbonylContact O-C 3.09Å; L306-G311 PolarHBondContact O-N 3.46Å; L306-G311 VanDerWaalsContact O-N 3.14Å |
| 307 | R | 85.5 | Confident | 71.9 | Confident | 166 Ų | 166 | 96.1 Ų | 96.1 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -103.7 | -15.3 | 173.6 | -70.1 | -175.3 | -59.7 | -95.8 | -5.9 | 114 | A303 Y304 H305 | A303-R307 WeakPolarHBondContact O-CG 3.5Å; A303-R307 PolarHBondContact O-NE 3.44Å; A303-R307 PolarHBondContact O-NH1 2.66Å; A303-R307 PolarHBondContact O-NH2 3.44Å; Y304-R307 CarbonylContact O-C 3.6Å; Y304-R307 WeakPolarHBondContact O-CA 3.44Å; Y304-R307 WeakPolarHBondContact O-CB 3.46Å; Y304-R307 PolarHBondContact O-N 3.01Å; H305-R307 PolarHBondContact O-N 3.03Å; H305-R307 VanDerWaalsContact O-N 3.11Å |
| 308 | S | 84.5 | Confident | 69.9 | Low | 57 Ų | 57 | 99.3 Ų | 99.3 | 40% | 0.399 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -96.5 | -45.9 | 178.1 | 66.7 | 0 | 0 | 0 | 0 | 112.4 | Y304 H305 | Y304-S308 PolarHBondContact O-N 2.97Å; H305-S308 PolarHBondContact O-N 3.26Å; H305-S308 VanDerWaalsContact O-N 3.11Å; H305-S308 PolarHBondContact O-OG 3.45Å |
| 309 | E | 81.3 | Confident | 67.8 | Low | 114 Ų | 114 | 103.3 Ų | 103.3 | 53% | 0.533 | 55% | 0.552 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.5 | -27.2 | -176.9 | -37 | -60.5 | 114.3 | 0 | 0 | 112.7 | H305 | H305-E309 VanDerWaalsContact CE1-CG 3.45Å; H305-E309 WeakPolarHBondContact CE1-CG 3.4Å; H305-E309 WeakPolarHBondContact ND1-CG 3.45Å; H305-E309 PolarHBondContact O-N 3.29Å |
| 310 | H | 81.4 | Confident | 65.5 | Low | 62 Ų | 62 | 99 Ų | 99 | 29% | 0.287 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -124.8 | 17.8 | -175.8 | -52.1 | -56.9 | 0 | 0 | 0 | 112.2 | H291 C292 H305 L306 | H291-H310 AromaticContact CD2-CG 3.97Å; C292-H310 PolarHBondContact SG-NE2 3.11Å; H305-H310 AromaticContact CE1-CD2 3.49Å; H305-H310 PolarHBondContact CE1-CD2 2.97Å; H305-H310 VanDerWaalsContact CE1-CD2 3.49Å; H305-H310 AromaticContact CE1-NE2 3.3Å; H305-H310 PolarHBondContact CE1-NE2 2.83Å; H305-H310 VanDerWaalsContact CE1-NE2 3.3Å; H305-H310 AromaticContact NE2-CD2 3.47Å; H305-H310 PolarHBondContact NE2-CD2 3.29Å; H305-H310 AromaticContact NE2-NE2 3.43Å; H305-H310 PolarHBondContact NE2-NE2 3.43Å; L306-H310 HydrophobicContact CD2-CB 4.34Å; L306-H310 CarbonylContact O-C 3.09Å |
| 311 | G | 74.1 | Confident | 63.1 | Low | 24 Ų | 24 | 102.8 Ų | 102.8 | 25% | 0.247 | 56% | 0.56 | C | S | . | * | S | Bend | trans | -65.6 | 138.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | L306 I313 | L306-G311 PolarHBondContact O-N 3.46Å; L306-G311 VanDerWaalsContact O-N 3.14Å; G311-I313 PolarHBondContact O-N 3.01Å |
| 312 | P | 63.2 | Low | 60.7 | Low | 130 Ų | 130 | 107.6 Ų | 107.6 | 84% | 0.844 | 59% | 0.587 | S | S | * | * | trans | -62.1 | 113.4 | -179.7 | 24.9 | -33.3 | 0 | 0 | 0 | 109.8 | S314 | P312-S314 PolarHBondContact O-N 3.34Š| ||
| 313 | I | 44.5 | Very low | 58.5 | Low | 142 Ų | 142 | 113.6 Ų | 113.6 | 73% | 0.728 | 62% | 0.615 | S | S | * | * | trans | -69.1 | 114.4 | 173.8 | -52.1 | 177.1 | 0 | 0 | 0 | 106.6 | G311 F315 | G311-I313 PolarHBondContact O-N 3.01Å; I313-F315 HydrophobicContact CG2-CD2 3.65Å; I313-F315 HydrophobicContact CG2-CE2 3.85Å; I313-F315 PolarHBondContact O-N 3.38Å | ||
| 314 | S | 42 | Very low | 56.1 | Low | 120 Ų | 120 | 117.8 Ų | 117.8 | 84% | 0.839 | 64% | 0.641 | S | S | * | * | trans | -78.8 | 66.6 | -171.9 | 60 | 0 | 0 | 0 | 0 | 112.6 | P312 | P312-S314 PolarHBondContact O-N 3.34Š| ||
| 315 | F | 36.8 | Very low | 53.7 | Low | 175 Ų | 175 | 118.2 Ų | 118.2 | 77% | 0.768 | 65% | 0.653 | S | S | * | * | trans | -97 | 102.4 | 158.2 | -76.9 | -79.1 | 0 | 0 | 0 | 108.9 | I313 | I313-F315 HydrophobicContact CG2-CD2 3.65Å; I313-F315 HydrophobicContact CG2-CE2 3.85Å; I313-F315 PolarHBondContact O-N 3.38Å | ||
| 316 | F | 31.1 | Very low | 51.1 | Low | 207 Ų | 207 | 126.5 Ų | 126.5 | 91% | 0.908 | 69% | 0.689 | S | S | * | * | trans | -170.7 | 141.5 | 140.5 | -90.8 | -59.1 | 0 | 0 | 0 | 108.3 | ||||
| 317 | P | 41.3 | Very low | 48.9 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | trans | -86.5 | 149.6 | -176 | 34.4 | -33.7 | 0 | 0 | 0 | 113.3 | ||||
| 318 | E | 35.8 | Very low | 46.5 | Very low | 195 Ų | 195 | 132.1 Ų | 132.1 | 91% | 0.911 | 72% | 0.722 | S | S | * | * | trans | 29 | 97.1 | 143.9 | -164.5 | 169.8 | -176.2 | 0 | 0 | 119.7 | ||||
| 319 | S | 36.7 | Very low | 44.5 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | -165 | 142.2 | 129 | 46.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 320 | G | 33.6 | Very low | 42.6 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | 84.2 | 79.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 321 | Q | 31.9 | Very low | 40.5 | Very low | 154 Ų | 154 | 141 Ų | 141 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | -68.7 | 153.1 | 157.7 | -78.8 | -72.2 | -63.2 | 0 | 0 | 110.8 | ||||
| 322 | P | 35.6 | Very low | 39.2 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | -109.2 | 132.6 | 106.1 | -16 | 32.2 | 0 | 0 | 0 | 112.7 | C324 | P322-C324 PolarHBondContact O-N 3.24Š| |||
| 323 | E | 40.2 | Very low | 38.2 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -66.7 | 132.3 | 179.5 | -68.3 | -160.5 | 148.2 | 0 | 0 | 112.1 | ||||
| 324 | C | 32.9 | Very low | 38.5 | Very low | 119 Ų | 119 | 146.8 Ų | 146.8 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | -172.3 | 87.9 | 125.8 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | P322 | P322-C324 PolarHBondContact O-N 3.24Š| |||
| 325 | L | 36.9 | Very low | 38.7 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -170.3 | 65.1 | 146.8 | -111.2 | 169.1 | 0 | 0 | 0 | 110.2 | ||||
| 326 | K | 34.9 | Very low | 39.6 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -64.6 | 140.3 | 174.6 | -157.7 | 161 | -166.6 | 155 | 0 | 109.8 | ||||
| 327 | E | 41.9 | Very low | 40.9 | Very low | 188 Ų | 188 | 141.9 Ų | 141.9 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | -64.7 | 136 | -166.4 | -58.6 | 166.2 | 108.3 | 0 | 0 | 112.5 | ||||
| 328 | M | 34.9 | Very low | 42.4 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | trans | -116 | 100.4 | 156 | 64.8 | 174.3 | -176.6 | 0 | 0 | 110.4 | L330 | M328-L330 HydrophobicContact CB-CG 4.33Å; M328-L330 HydrophobicContact CE-CD1 4.05Å; M328-L330 HydrophobicContact CG-CD1 4.31Å; M328-L330 HydrophobicContact CG-CG 4.29Å; M328-L330 PolarHBondContact O-N 2.9Å; M328-L330 HydrophobicContact SD-CD1 3.6Å; M328-L330 VanDerWaalsContact SD-CD1 3.6Å; M328-L330 HydrophobicContact SD-CG 4.14Å | ||
| 329 | N | 42.8 | Very low | 44.2 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -71.1 | 82 | 164.5 | -177.1 | -7.2 | 0 | 0 | 0 | 108.8 | ||||
| 330 | L | 41.5 | Very low | 46.5 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | -90.3 | 103.6 | 169.5 | -71.5 | -179.8 | 0 | 0 | 0 | 109.4 | M328 | M328-L330 HydrophobicContact CB-CG 4.33Å; M328-L330 HydrophobicContact CE-CD1 4.05Å; M328-L330 HydrophobicContact CG-CD1 4.31Å; M328-L330 HydrophobicContact CG-CG 4.29Å; M328-L330 PolarHBondContact O-N 2.9Å; M328-L330 HydrophobicContact SD-CD1 3.6Å; M328-L330 VanDerWaalsContact SD-CD1 3.6Å; M328-L330 HydrophobicContact SD-CG 4.14Å | ||
| 331 | E | 37.9 | Very low | 48.9 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 63% | 0.631 | 78% | 0.78 | S | S | * | * | trans | 4.1 | 112 | 172 | -60.5 | -171.5 | 118 | 0 | 0 | 116.7 | K333 | E331-K333 HydrophobicContact CB-CG 4.39Å; E331-K333 PolarHBondContact O-N 3.45Å; E331-K333 WeakPolarHBondContact OE2-CE 3.26Å; E331-K333 IonicContact OE2-NZ 2.62Å; E331-K333 PolarHBondContact OE2-NZ 3.21Å | ||
| 332 | S | 45.6 | Very low | 51.4 | Low | 125 Ų | 125 | 145.5 Ų | 145.5 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -66.4 | 80.6 | 163.2 | -70.2 | 0 | 0 | 0 | 0 | 110.9 | S334 | S332-S334 PolarHBondContact O-N 3.27Š| ||
| 333 | K | 42.4 | Very low | 53.8 | Low | 167 Ų | 167 | 141.4 Ų | 141.4 | 73% | 0.726 | 75% | 0.751 | S | S | * | * | trans | -62.2 | 125.2 | 175.8 | -82.8 | 174.2 | 174.9 | 141.7 | 0 | 110.5 | E331 G335 | E331-K333 HydrophobicContact CB-CG 4.39Å; E331-K333 PolarHBondContact O-N 3.45Å; E331-K333 WeakPolarHBondContact OE2-CE 3.26Å; E331-K333 IonicContact OE2-NZ 2.62Å; E331-K333 PolarHBondContact OE2-NZ 3.21Å; K333-G335 PolarHBondContact O-N 2.92Å | ||
| 334 | S | 51.2 | Low | 56.1 | Low | 124 Ų | 124 | 140.2 Ų | 140.2 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -46.6 | 126.4 | -176.3 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | S332 | S332-S334 PolarHBondContact O-N 3.27Š|
| 335 | G | 47.3 | Very low | 58.7 | Low | 71 Ų | 71 | 138.4 Ų | 138.4 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | trans | 158.1 | 87.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | K333 R337 | K333-G335 PolarHBondContact O-N 2.92Å; G335-R337 PolarHBondContact O-N 3.47Å | ||
| 336 | G | 55.8 | Low | 60.9 | Low | 92 Ų | 92 | 133.1 Ų | 133.1 | 95% | 0.948 | 71% | 0.705 | S | S | * | * | trans | -60.8 | 94.1 | -165.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 337 | R | 57.5 | Low | 63.4 | Low | 237 Ų | 237 | 128.4 Ų | 128.4 | 89% | 0.894 | 69% | 0.691 | S | S | * | * | trans | -155 | 129.2 | 149.1 | -146 | 171.6 | -163.8 | 161.2 | 8 | 111.9 | G335 Q339 | G335-R337 PolarHBondContact O-N 3.47Å; R337-Q339 PolarHBondContact O-N 2.98Å; R337-Q339 VanDerWaalsContact O-N 3.09Å | ||
| 338 | V | 72.8 | Confident | 65.8 | Low | 141 Ų | 141 | 126.1 Ų | 126.1 | 86% | 0.855 | 68% | 0.676 | S | S | * | * | trans | -64.3 | 112.9 | 175.4 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | R340 | V338-R340 PolarHBondContact O-N 3.38Š| ||
| 339 | Q | 74.6 | Confident | 68.3 | Low | 93 Ų | 93 | 123.7 Ų | 123.7 | 44% | 0.435 | 66% | 0.662 | S | S | . | * | trans | -68.6 | 121.4 | 179.8 | -169.4 | -177.5 | 24.3 | 0 | 0 | 110.5 | R337 A343 K344 | R337-Q339 PolarHBondContact O-N 2.98Å; R337-Q339 VanDerWaalsContact O-N 3.09Å; Q339-A343 HydrophobicContact CG-CB 3.8Å; Q339-K344 HydrophobicContact CB-CG 4.29Å; Q339-K344 HydrophobicContact CG-CG 4.03Å | ||
| 340 | R | 83.5 | Confident | 70.5 | Confident | 204 Ų | 204 | 122.3 Ų | 122.3 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | trans | -55.5 | 142.8 | 178.7 | -66.4 | 179 | 176 | 172.3 | -2.2 | 110.9 | V338 S342 A343 K344 | V338-R340 PolarHBondContact O-N 3.38Å; R340-S342 PolarHBondContact O-N 3.48Å; R340-S342 VanDerWaalsContact O-N 3.13Å; R340-A343 WeakPolarHBondContact O-CA 3.4Å; R340-A343 WeakPolarHBondContact O-CB 3.5Å; R340-A343 PolarHBondContact O-N 3.26Å; R340-K344 PolarHBondContact O-N 3.15Å; R340-K344 VanDerWaalsContact O-N 3.08Å | ||
| 341 | R | 84.8 | Confident | 72.6 | Confident | 211 Ų | 211 | 122 Ų | 122 | 80% | 0.796 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -52.6 | -38.4 | -179.3 | -168.7 | 177.4 | -177.9 | 176.3 | 2 | 113 | A343 K344 I345 | R341-A343 VanDerWaalsContact C-N 3.35Å; R341-A343 PolarHBondContact O-N 3.24Å; R341-K344 PolarHBondContact O-N 3.32Å; R341-I345 HydrophobicContact CG-CD1 4.01Å; R341-I345 VanDerWaalsContact O-CG1 3.31Å; R341-I345 WeakPolarHBondContact O-CG1 3.46Å; R341-I345 PolarHBondContact O-N 3.04Å |
| 342 | S | 85.1 | Confident | 75 | Confident | 85 Ų | 85 | 119.8 Ų | 119.8 | 59% | 0.594 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -65 | -32.7 | 174.8 | 51.7 | 0 | 0 | 0 | 0 | 114 | R340 A346 | R340-S342 PolarHBondContact O-N 3.48Å; R340-S342 VanDerWaalsContact O-N 3.13Å; S342-A346 VanDerWaalsContact O-CB 3.3Å; S342-A346 WeakPolarHBondContact O-CB 3.45Å; S342-A346 PolarHBondContact O-N 2.93Å |
| 343 | A | 84.3 | Confident | 76.7 | Confident | 39 Ų | 39 | 119 Ų | 119 | 32% | 0.322 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -76.1 | -34.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q339 R340 R341 A346 V347 | Q339-A343 HydrophobicContact CG-CB 3.8Å; R340-A343 WeakPolarHBondContact O-CA 3.4Å; R340-A343 WeakPolarHBondContact O-CB 3.5Å; R340-A343 PolarHBondContact O-N 3.26Å; R341-A343 VanDerWaalsContact C-N 3.35Å; R341-A343 PolarHBondContact O-N 3.24Å; A343-A346 PolarHBondContact O-N 2.95Å; A343-V347 WeakPolarHBondContact O-CG2 3.28Å; A343-V347 PolarHBondContact O-N 3.41Å |
| 344 | K | 88.9 | Confident | 78.5 | Confident | 127 Ų | 127 | 113 Ų | 113 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -61.1 | -46.6 | 169 | -70.1 | -168.4 | 174.7 | -164.1 | 0 | 111.5 | Q339 R340 R341 V347 Y348 | Q339-K344 HydrophobicContact CB-CG 4.29Å; Q339-K344 HydrophobicContact CG-CG 4.03Å; R340-K344 PolarHBondContact O-N 3.15Å; R340-K344 VanDerWaalsContact O-N 3.08Å; R341-K344 PolarHBondContact O-N 3.32Å; K344-V347 PolarHBondContact O-N 3.08Å; K344-Y348 PolarHBondContact O-N 2.9Å |
| 345 | I | 87.6 | Confident | 79.7 | Confident | 80 Ų | 80 | 109.3 Ų | 109.3 | 41% | 0.41 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.6 | -40.9 | 176.3 | -69.6 | 164.5 | 0 | 0 | 0 | 111.5 | R341 Y348 H349 | R341-I345 HydrophobicContact CG-CD1 4.01Å; R341-I345 VanDerWaalsContact O-CG1 3.31Å; R341-I345 WeakPolarHBondContact O-CG1 3.46Å; R341-I345 PolarHBondContact O-N 3.04Å; I345-Y348 PolarHBondContact O-N 3.47Å; I345-H349 PolarHBondContact O-CD2 2.81Å; I345-H349 PolarHBondContact O-N 2.91Å |
| 346 | A | 82.7 | Confident | 81.1 | Confident | 57 Ų | 57 | 107.3 Ų | 107.3 | 47% | 0.471 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S342 A343 H349 L350 | S342-A346 VanDerWaalsContact O-CB 3.3Å; S342-A346 WeakPolarHBondContact O-CB 3.45Å; S342-A346 PolarHBondContact O-N 2.93Å; A343-A346 PolarHBondContact O-N 2.95Å; A346-H349 PolarHBondContact O-N 3.13Å; A346-L350 VanDerWaalsContact O-CB 3.29Å; A346-L350 WeakPolarHBondContact O-CB 3.14Å; A346-L350 PolarHBondContact O-N 3.48Å |
| 347 | V | 89.2 | Confident | 82 | Confident | 81 Ų | 81 | 108.7 Ų | 108.7 | 49% | 0.491 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 174 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | A343 K344 L350 Q351 | A343-V347 WeakPolarHBondContact O-CG2 3.28Å; A343-V347 PolarHBondContact O-N 3.41Å; K344-V347 PolarHBondContact O-N 3.08Å; V347-L350 PolarHBondContact O-N 3.15Å; V347-Q351 WeakPolarHBondContact O-CB 3.48Å; V347-Q351 PolarHBondContact O-N 2.91Å |
| 348 | Y | 90.9 | Very high | 82.1 | Confident | 139 Ų | 139 | 102.5 Ų | 102.5 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.8 | -51.7 | 174.3 | 178.8 | -90.3 | 0 | 0 | 0 | 111.8 | K344 I345 L350 Q351 E352 | K344-Y348 PolarHBondContact O-N 2.9Å; I345-Y348 PolarHBondContact O-N 3.47Å; Y348-L350 VanDerWaalsContact C-N 3.3Å; Y348-L350 PolarHBondContact O-N 2.85Å; Y348-Q351 WeakPolarHBondContact O-CB 3.47Å; Y348-Q351 PolarHBondContact O-N 3.23Å; Y348-E352 HydrophobicContact CD1-CG 4.13Å; Y348-E352 HydrophobicContact CE1-CG 3.61Å; Y348-E352 HydrophobicContact CE2-CG 4.34Å; Y348-E352 WeakPolarHBondContact O-CB 3.3Å; Y348-E352 WeakPolarHBondContact O-CG 3.42Å; Y348-E352 PolarHBondContact O-N 3.19Å |
| 349 | H | 89 | Confident | 81.8 | Confident | 105 Ų | 105 | 99 Ų | 99 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.1 | -30.2 | 178.2 | -69 | -53.5 | 0 | 0 | 0 | 113.5 | I345 A346 L353 | I345-H349 PolarHBondContact O-CD2 2.81Å; I345-H349 PolarHBondContact O-N 2.91Å; A346-H349 PolarHBondContact O-N 3.13Å; H349-L353 WeakPolarHBondContact O-CB 3.22Å; H349-L353 VanDerWaalsContact O-CG 3.27Å; H349-L353 WeakPolarHBondContact O-CG 3.47Å; H349-L353 PolarHBondContact O-N 3.29Å |
| 350 | L | 87 | Confident | 81.4 | Confident | 124 Ų | 124 | 102.1 Ų | 102.1 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72 | -36.8 | 174.9 | -160.4 | 71 | 0 | 0 | 0 | 111.4 | A346 V347 Y348 A354 | A346-L350 VanDerWaalsContact O-CB 3.29Å; A346-L350 WeakPolarHBondContact O-CB 3.14Å; A346-L350 PolarHBondContact O-N 3.48Å; V347-L350 PolarHBondContact O-N 3.15Å; Y348-L350 VanDerWaalsContact C-N 3.3Å; Y348-L350 PolarHBondContact O-N 2.85Å; L350-A354 WeakPolarHBondContact O-CB 3.45Å; L350-A354 PolarHBondContact O-N 3.16Å |
| 351 | Q | 87.4 | Confident | 79.7 | Confident | 124 Ų | 124 | 95.4 Ų | 95.4 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.1 | -38.1 | 172.6 | -173.3 | 61.6 | 52.2 | 0 | 0 | 111.7 | V347 Y348 A354 S355 | V347-Q351 WeakPolarHBondContact O-CB 3.48Å; V347-Q351 PolarHBondContact O-N 2.91Å; Y348-Q351 WeakPolarHBondContact O-CB 3.47Å; Y348-Q351 PolarHBondContact O-N 3.23Å; Q351-A354 PolarHBondContact O-N 3.11Å; Q351-S355 WeakPolarHBondContact O-CB 3.5Å; Q351-S355 PolarHBondContact O-N 3.31Å; Q351-S355 PolarHBondContact O-OG 3.45Å |
| 352 | E | 86.8 | Confident | 77.8 | Confident | 89 Ų | 89 | 95.5 Ų | 95.5 | 42% | 0.416 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.4 | -34.2 | 175.1 | -77 | -74.1 | 82.5 | 0 | 0 | 113.4 | Y348 S355 A356 | Y348-E352 HydrophobicContact CD1-CG 4.13Å; Y348-E352 HydrophobicContact CE1-CG 3.61Å; Y348-E352 HydrophobicContact CE2-CG 4.34Å; Y348-E352 WeakPolarHBondContact O-CB 3.3Å; Y348-E352 WeakPolarHBondContact O-CG 3.42Å; Y348-E352 PolarHBondContact O-N 3.19Å; E352-S355 WeakPolarHBondContact CA-OG 3.49Å; E352-S355 PolarHBondContact O-OG 3.36Å; E352-S355 VanDerWaalsContact O-OG 3.04Å; E352-S355 PolarHBondContact OE1-OG 3Å; E352-A356 WeakPolarHBondContact O-CB 3.47Å; E352-A356 PolarHBondContact O-N 3.39Å |
| 353 | L | 82.6 | Confident | 76.4 | Confident | 110 Ų | 110 | 96.6 Ų | 96.6 | 58% | 0.576 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68.3 | -41.7 | 170.2 | -73.2 | 168.7 | 0 | 0 | 0 | 110.5 | H349 A356 E357 | H349-L353 WeakPolarHBondContact O-CB 3.22Å; H349-L353 VanDerWaalsContact O-CG 3.27Å; H349-L353 WeakPolarHBondContact O-CG 3.47Å; H349-L353 PolarHBondContact O-N 3.29Å; L353-A356 PolarHBondContact O-N 3.06Å; L353-E357 WeakPolarHBondContact O-CB 3.4Å; L353-E357 WeakPolarHBondContact O-CG 3.41Å; L353-E357 PolarHBondContact O-N 2.89Å |
| 354 | A | 79.1 | Confident | 74.7 | Confident | 41 Ų | 41 | 103.9 Ų | 103.9 | 34% | 0.339 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L350 Q351 L358 | L350-A354 WeakPolarHBondContact O-CB 3.45Å; L350-A354 PolarHBondContact O-N 3.16Å; Q351-A354 PolarHBondContact O-N 3.11Å; A354-L358 VanDerWaalsContact O-CB 3.32Å; A354-L358 WeakPolarHBondContact O-CB 3.46Å; A354-L358 WeakPolarHBondContact O-CD1 3.5Å; A354-L358 WeakPolarHBondContact O-CG 3.34Å; A354-L358 PolarHBondContact O-N 3.45Å |
| 355 | S | 76.4 | Confident | 72.6 | Confident | 45 Ų | 45 | 104.9 Ų | 104.9 | 32% | 0.315 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 176.3 | 69.4 | 0 | 0 | 0 | 0 | 111.5 | Q351 E352 L358 A359 | Q351-S355 WeakPolarHBondContact O-CB 3.5Å; Q351-S355 PolarHBondContact O-N 3.31Å; Q351-S355 PolarHBondContact O-OG 3.45Å; E352-S355 WeakPolarHBondContact CA-OG 3.49Å; E352-S355 PolarHBondContact O-OG 3.36Å; E352-S355 VanDerWaalsContact O-OG 3.04Å; E352-S355 PolarHBondContact OE1-OG 3Å; S355-L358 PolarHBondContact O-N 2.84Å; S355-A359 VanDerWaalsContact O-CB 3.3Å; S355-A359 WeakPolarHBondContact O-CB 3.32Å; S355-A359 PolarHBondContact O-N 3.33Å |
| 356 | A | 77.6 | Confident | 70.7 | Confident | 29 Ų | 29 | 110.8 Ų | 110.8 | 24% | 0.24 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -72.1 | -33.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E352 L353 K360 | E352-A356 WeakPolarHBondContact O-CB 3.47Å; E352-A356 PolarHBondContact O-N 3.39Å; L353-A356 PolarHBondContact O-N 3.06Å; A356-K360 VanDerWaalsContact O-CB 3.27Å; A356-K360 WeakPolarHBondContact O-CB 3.09Å; A356-K360 VanDerWaalsContact O-CD 3.25Å; A356-K360 WeakPolarHBondContact O-CD 3.48Å; A356-K360 WeakPolarHBondContact O-CG 3.48Å; A356-K360 PolarHBondContact O-N 3.18Å |
| 357 | E | 74.1 | Confident | 68.7 | Low | 122 Ų | 122 | 113 Ų | 113 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -68.7 | -47 | 170.7 | -76.1 | -168.4 | 162.1 | 0 | 0 | 110.7 | L353 A359 K360 E361 | L353-E357 WeakPolarHBondContact O-CB 3.4Å; L353-E357 WeakPolarHBondContact O-CG 3.41Å; L353-E357 PolarHBondContact O-N 2.89Å; E357-A359 VanDerWaalsContact C-N 3.33Å; E357-A359 PolarHBondContact O-N 2.79Å; E357-K360 PolarHBondContact O-N 3.08Å; E357-E361 WeakPolarHBondContact O-CB 3.19Å; E357-E361 WeakPolarHBondContact O-CG 3.22Å; E357-E361 PolarHBondContact O-N 3.13Å |
| 358 | L | 60.7 | Low | 66.7 | Low | 106 Ų | 106 | 116.6 Ų | 116.6 | 56% | 0.555 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -53.1 | -49.2 | 172.9 | -75.8 | 166.7 | 0 | 0 | 0 | 111.5 | A354 S355 E361 W362 | A354-L358 VanDerWaalsContact O-CB 3.32Å; A354-L358 WeakPolarHBondContact O-CB 3.46Å; A354-L358 WeakPolarHBondContact O-CD1 3.5Å; A354-L358 WeakPolarHBondContact O-CG 3.34Å; A354-L358 PolarHBondContact O-N 3.45Å; S355-L358 PolarHBondContact O-N 2.84Å; L358-E361 PolarHBondContact O-N 2.97Å; L358-W362 WeakPolarHBondContact O-CB 3.43Å; L358-W362 VanDerWaalsContact O-CD1 3.31Å; L358-W362 PolarHBondContact O-N 3.1Å |
| 359 | A | 65.4 | Low | 64.3 | Low | 69 Ų | 69 | 114.4 Ų | 114.4 | 57% | 0.57 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.9 | -36.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S355 E357 | S355-A359 VanDerWaalsContact O-CB 3.3Å; S355-A359 WeakPolarHBondContact O-CB 3.32Å; S355-A359 PolarHBondContact O-N 3.33Å; E357-A359 VanDerWaalsContact C-N 3.33Å; E357-A359 PolarHBondContact O-N 2.79Å |
| 360 | K | 66 | Low | 62.2 | Low | 158 Ų | 158 | 115.6 Ų | 115.6 | 69% | 0.687 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -76.6 | -28.3 | 178.7 | -72.3 | 165.4 | -168 | 166.7 | 0 | 112.9 | A356 E357 | A356-K360 VanDerWaalsContact O-CB 3.27Å; A356-K360 WeakPolarHBondContact O-CB 3.09Å; A356-K360 VanDerWaalsContact O-CD 3.25Å; A356-K360 WeakPolarHBondContact O-CD 3.48Å; A356-K360 WeakPolarHBondContact O-CG 3.48Å; A356-K360 PolarHBondContact O-N 3.18Å; E357-K360 PolarHBondContact O-N 3.08Å |
| 361 | E | 48.3 | Very low | 60.6 | Low | 62 Ų | 62 | 118.1 Ų | 118.1 | 29% | 0.29 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -95.3 | -22.3 | -178 | -67.3 | -165.1 | 118.2 | 0 | 0 | 113.9 | E357 L358 P363 K364 R365 | E357-E361 WeakPolarHBondContact O-CB 3.19Å; E357-E361 WeakPolarHBondContact O-CG 3.22Å; E357-E361 PolarHBondContact O-N 3.13Å; L358-E361 PolarHBondContact O-N 2.97Å; E361-P363 VanDerWaalsContact C-CD 3.45Å; E361-P363 VanDerWaalsContact C-N 3.27Å; E361-P363 VanDerWaalsContact O-N 3.14Å; E361-K364 PolarHBondContact O-N 2.74Å; E361-R365 HydrophobicContact CB-CB 4.42Å; E361-R365 HydrophobicContact CB-CG 4.04Å; E361-R365 PolarHBondContact O-N 3.21Å; E361-R365 IonicContact OE1-CZ 3.18Å; E361-R365 IonicContact OE1-NE 2.72Å; E361-R365 PolarHBondContact OE1-NE 2.79Å; E361-R365 IonicContact OE1-NH2 3.39Å; E361-R365 PolarHBondContact OE1-NH2 2.89Å; E361-R365 IonicContact OE2-CZ 2.59Å; E361-R365 IonicContact OE2-NE 2.68Å; E361-R365 PolarHBondContact OE2-NE 3.29Å; E361-R365 IonicContact OE2-NH1 2.69Å; E361-R365 PolarHBondContact OE2-NH1 2.64Å; E361-R365 IonicContact OE2-NH2 3.9Å; E361-R365 PolarHBondContact OE2-NH2 3.48Å |
| 362 | W | 45.3 | Very low | 58.5 | Low | 214 Ų | 214 | 115.8 Ų | 115.8 | 81% | 0.811 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -47.1 | -40.1 | 176 | -115.5 | 75 | 0 | 0 | 0 | 114.6 | L358 | L358-W362 WeakPolarHBondContact O-CB 3.43Å; L358-W362 VanDerWaalsContact O-CD1 3.31Å; L358-W362 PolarHBondContact O-N 3.1Å |
| 363 | P | 54.3 | Low | 56.8 | Low | 107 Ų | 107 | 113.1 Ų | 113.1 | 70% | 0.695 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -8.8 | 177.6 | -16.7 | 32.6 | 0 | 0 | 0 | 115.7 | E361 | E361-P363 VanDerWaalsContact C-CD 3.45Å; E361-P363 VanDerWaalsContact C-N 3.27Å; E361-P363 VanDerWaalsContact O-N 3.14Å |
| 364 | K | 50.5 | Low | 55.4 | Low | 192 Ų | 192 | 110.8 Ų | 110.8 | 84% | 0.835 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.3 | -20.3 | -168.2 | -73.6 | -173.3 | 178.6 | 175.9 | 0 | 116.5 | E361 K366 | E361-K364 PolarHBondContact O-N 2.74Å; K364-K366 PolarHBondContact O-N 3.04Å |
| 365 | R | 43.8 | Very low | 54.2 | Low | 149 Ų | 149 | 113 Ų | 113 | 56% | 0.562 | 57% | 0.571 | S | S | * | * | trans | -74.7 | 110.1 | 157.9 | -81.6 | -169.2 | -175.7 | 174.4 | 14.5 | 107.6 | E361 V367 | E361-R365 HydrophobicContact CB-CB 4.42Å; E361-R365 HydrophobicContact CB-CG 4.04Å; E361-R365 PolarHBondContact O-N 3.21Å; E361-R365 IonicContact OE1-CZ 3.18Å; E361-R365 IonicContact OE1-NE 2.72Å; E361-R365 PolarHBondContact OE1-NE 2.79Å; E361-R365 IonicContact OE1-NH2 3.39Å; E361-R365 PolarHBondContact OE1-NH2 2.89Å; E361-R365 IonicContact OE2-CZ 2.59Å; E361-R365 IonicContact OE2-NE 2.68Å; E361-R365 PolarHBondContact OE2-NE 3.29Å; E361-R365 IonicContact OE2-NH1 2.69Å; E361-R365 PolarHBondContact OE2-NH1 2.64Å; E361-R365 IonicContact OE2-NH2 3.9Å; E361-R365 PolarHBondContact OE2-NH2 3.48Å; R365-V367 PolarHBondContact O-N 3.24Å | ||
| 366 | K | 47.8 | Very low | 53.2 | Low | 203 Ų | 203 | 122.7 Ų | 122.7 | 88% | 0.883 | 60% | 0.6 | S | S | * | * | trans | -52.3 | 103.9 | 131.5 | -69.2 | -176.6 | 179.8 | -176.4 | 0 | 104.9 | K364 L368 | K364-K366 PolarHBondContact O-N 3.04Å; K366-L368 PolarHBondContact O-N 2.79Å | ||
| 367 | V | 41.2 | Very low | 52.5 | Low | 104 Ų | 104 | 124.5 Ų | 124.5 | 63% | 0.63 | 60% | 0.603 | S | S | * | * | trans | -48.7 | 128.6 | 168.1 | 174.9 | 0 | 0 | 0 | 0 | 105.3 | R365 Q369 | R365-V367 PolarHBondContact O-N 3.24Å; V367-Q369 PolarHBondContact O-N 3Å | ||
| 368 | L | 46.4 | Very low | 52.3 | Low | 157 Ų | 157 | 119 Ų | 119 | 82% | 0.822 | 58% | 0.577 | S | S | * | * | trans | -65.1 | 94.5 | 163.3 | 179.1 | 64.1 | 0 | 0 | 0 | 104 | K366 | K366-L368 PolarHBondContact O-N 2.79Š| ||
| 369 | Q | 41.7 | Very low | 52.6 | Low | 92 Ų | 92 | 115.7 Ų | 115.7 | 43% | 0.43 | 56% | 0.558 | S | S | . | * | trans | -48.7 | 148.5 | 179.6 | -62.4 | 175.3 | -77.2 | 0 | 0 | 108 | V367 D374 | V367-Q369 PolarHBondContact O-N 3Å; Q369-D374 PolarHBondContact NE2-OD1 3.05Å; Q369-D374 PolarHBondContact NE2-OD2 3.32Å; Q369-D374 PolarHBondContact OE1-OD2 3.26Å | ||
| 370 | D | 42.8 | Very low | 52.9 | Low | 130 Ų | 130 | 112.4 Ų | 112.4 | 70% | 0.695 | 53% | 0.531 | S | S | * | . | trans | -44.2 | 156.1 | -165.3 | -65.9 | -83.4 | 0 | 0 | 0 | 114.2 | V372 | D370-V372 CarbonylContact C-O 3.58Å; D370-V372 CarbonylContact O-C 3.55Å; D370-V372 PolarHBondContact O-N 3.31Å | ||
| 371 | L | 54.1 | Low | 53.3 | Low | 177 Ų | 177 | 108.2 Ų | 108.2 | 93% | 0.927 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -61.2 | -5 | 173.6 | -63 | 173.6 | 0 | 0 | 0 | 112.7 | ||
| 372 | V | 44.3 | Very low | 54.2 | Low | 76 Ų | 76 | 109 Ų | 109 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -92.9 | 106.3 | 153.4 | -176 | 0 | 0 | 0 | 0 | 108.5 | D370 | D370-V372 CarbonylContact C-O 3.58Å; D370-V372 CarbonylContact O-C 3.55Å; D370-V372 PolarHBondContact O-N 3.31Å |
| 373 | P | 50.7 | Low | 55 | Low | 32 Ų | 32 | 100 Ų | 100 | 21% | 0.208 | 49% | 0.488 | C | S | . | . | trans | -63.1 | 148 | 176.1 | -15.4 | 28.4 | 0 | 0 | 0 | 111.2 | D375 L378 F468 | P373-D375 PolarHBondContact O-N 3.22Å; P373-L378 HydrophobicContact CB-CD2 4.39Å; P373-F468 HydrophobicContact CB-CD2 3.61Å; P373-F468 HydrophobicContact CB-CE2 3.29Å; P373-F468 HydrophobicContact CB-CZ 4.16Å; P373-F468 HydrophobicContact CG-CD2 3.91Å; P373-F468 HydrophobicContact CG-CE2 3.92Å | ||
| 374 | D | 53.2 | Low | 55 | Low | 61 Ų | 61 | 98 Ų | 98 | 33% | 0.326 | 49% | 0.487 | S | S | . | . | trans | -40.3 | 134.2 | 179.8 | -66 | -51.4 | 0 | 0 | 0 | 112.2 | Q369 R376 K377 | Q369-D374 PolarHBondContact NE2-OD1 3.05Å; Q369-D374 PolarHBondContact NE2-OD2 3.32Å; Q369-D374 PolarHBondContact OE1-OD2 3.26Å; D374-R376 HydrophobicContact CB-CB 4.44Å; D374-R376 PolarHBondContact O-N 3.42Å; D374-K377 HydrophobicContact CB-CD 4.08Å; D374-K377 HydrophobicContact CB-CG 4.22Å; D374-K377 WeakPolarHBondContact O-CA 3.39Å; D374-K377 WeakPolarHBondContact O-CB 3.45Å; D374-K377 PolarHBondContact O-N 2.78Å; D374-K377 WeakPolarHBondContact OD2-CE 3.48Å; D374-K377 IonicContact OD2-NZ 3.17Å; D374-K377 PolarHBondContact OD2-NZ 2.98Å | ||
| 375 | D | 53.8 | Low | 55 | Low | 88 Ų | 88 | 92.8 Ų | 92.8 | 47% | 0.471 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -55.3 | -27.8 | 176.1 | -63.3 | -60.4 | 0 | 0 | 0 | 112.3 | P373 K377 L378 R382 | P373-D375 PolarHBondContact O-N 3.22Å; D375-K377 PolarHBondContact O-N 3.18Å; D375-L378 PolarHBondContact O-N 3.09Å; D375-L378 WeakPolarHBondContact OD1-CD1 3.21Å; D375-R382 VanDerWaalsContact OD1-CB 3.31Å; D375-R382 WeakPolarHBondContact OD1-CB 3.48Å |
| 376 | R | 55.9 | Low | 55.7 | Low | 249 Ų | 249 | 87.1 Ų | 87.1 | 94% | 0.94 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -64.2 | -11.7 | 172.4 | -66.2 | -174.3 | 174.2 | -157.9 | -3 | 115.3 | D374 | D374-R376 HydrophobicContact CB-CB 4.44Å; D374-R376 PolarHBondContact O-N 3.42Å |
| 377 | K | 62.8 | Low | 56 | Low | 66 Ų | 66 | 84.4 Ų | 84.4 | 29% | 0.287 | 45% | 0.451 | S | S | . | . | G | 310 helix | trans | -111.8 | -1.5 | 178.4 | -60.9 | 167.8 | -178.1 | 152.9 | 0 | 112.1 | D374 D375 F468 V469 | D374-K377 HydrophobicContact CB-CD 4.08Å; D374-K377 HydrophobicContact CB-CG 4.22Å; D374-K377 WeakPolarHBondContact O-CA 3.39Å; D374-K377 WeakPolarHBondContact O-CB 3.45Å; D374-K377 PolarHBondContact O-N 2.78Å; D374-K377 WeakPolarHBondContact OD2-CE 3.48Å; D374-K377 IonicContact OD2-NZ 3.17Å; D374-K377 PolarHBondContact OD2-NZ 2.98Å; D375-K377 PolarHBondContact O-N 3.18Å; K377-F468 HydrophobicContact CB-CD2 3.87Å; K377-F468 HydrophobicContact CB-CE2 3.49Å; K377-F468 VanDerWaalsContact CB-CE2 3.49Å; K377-F468 HydrophobicContact CB-CZ 4.5Å; K377-F468 HydrophobicContact CD-CE2 3.81Å; K377-F468 HydrophobicContact CD-CZ 4.26Å; K377-F468 HydrophobicContact CG-CE2 4.25Å; K377-F468 WeakPolarHBondContact O-CA 3.25Å; K377-V469 PolarHBondContact O-N 3.02Å |
| 378 | L | 68.5 | Low | 57.1 | Low | 7 Ų | 7 | 80.5 Ų | 80.5 | 4% | 0.037 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -91 | 143.8 | 177.1 | -53.6 | -176.8 | 0 | 0 | 0 | 109.7 | P373 D375 Y380 W467 F468 | P373-L378 HydrophobicContact CB-CD2 4.39Å; D375-L378 PolarHBondContact O-N 3.09Å; D375-L378 WeakPolarHBondContact OD1-CD1 3.21Å; L378-Y380 HydrophobicContact CB-CD1 4.4Å; L378-Y380 HydrophobicContact CB-CE1 4.32Å; L378-Y380 HydrophobicContact CD1-CE1 4.43Å; L378-Y380 HydrophobicContact CD1-CE2 4.04Å; L378-Y380 PolarHBondContact O-N 3.02Å; L378-W467 WeakPolarHBondContact CA-O 3.35Å; L378-W467 HydrophobicContact CD2-CE3 3.8Å; L378-W467 HydrophobicContact CD2-CZ3 3.61Å; L378-F468 HydrophobicContact CD2-CD2 4.34Å |
| 379 | K | 67.1 | Low | 58.2 | Low | 36 Ų | 36 | 75.7 Ų | 75.7 | 16% | 0.157 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -87.5 | 21.5 | 172.4 | -61.7 | -178.7 | -171.6 | 157.4 | 0 | 112.6 | L443 L444 I459 E465 D466 W467 | K379-L443 WeakPolarHBondContact O-CB 3.43Å; K379-L443 PolarHBondContact O-N 2.81Å; K379-L444 HydrophobicContact CB-CD1 4.38Å; K379-L444 HydrophobicContact CB-CG 4.36Å; K379-L444 HydrophobicContact CD-CD1 4.19Å; K379-L444 HydrophobicContact CD-CD2 4.43Å; K379-I459 HydrophobicContact CB-CD1 4.12Å; K379-I459 HydrophobicContact CB-CG2 4.46Å; K379-I459 WeakPolarHBondContact O-CD1 3.48Å; K379-E465 HydrophobicContact CD-CG 4.13Å; K379-E465 IonicContact NZ-OE1 3.02Å; K379-E465 PolarHBondContact NZ-OE1 3.19Å; K379-E465 VanDerWaalsContact NZ-OE1 3.16Å; K379-D466 VanDerWaalsContact CD-O 3.28Å; K379-D466 WeakPolarHBondContact CD-O 3.18Å; K379-D466 VanDerWaalsContact CE-O 3.29Å; K379-D466 WeakPolarHBondContact CE-O 3.41Å; K379-D466 PolarHBondContact NZ-O 3.44Å; K379-W467 PolarHBondContact N-O 3.46Å |
| 380 | Y | 72.1 | Confident | 59.7 | Low | 1 Ų | 1 | 78.4 Ų | 78.4 | 0% | 0.004 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 147.4 | 172 | 62.9 | -91.3 | 0 | 0 | 0 | 111.5 | L378 R382 Y440 K441 E452 V455 K456 I459 W467 | L378-Y380 HydrophobicContact CB-CD1 4.4Å; L378-Y380 HydrophobicContact CB-CE1 4.32Å; L378-Y380 HydrophobicContact CD1-CE1 4.43Å; L378-Y380 HydrophobicContact CD1-CE2 4.04Å; L378-Y380 PolarHBondContact O-N 3.02Å; Y380-R382 PolarHBondContact O-N 3.25Å; Y380-Y440 HydrophobicContact CD2-CD1 4.05Å; Y380-Y440 AromaticContact CE2-CD1 3.99Å; Y380-Y440 HydrophobicContact CE2-CD1 3.99Å; Y380-Y440 HydrophobicContact CE2-CE1 4.43Å; Y380-K441 CarbonylContact C-O 3.56Å; Y380-K441 WeakPolarHBondContact CA-O 3.2Å; Y380-K441 VanDerWaalsContact CB-O 3.26Å; Y380-K441 WeakPolarHBondContact CB-O 3.32Å; Y380-E452 HydrophobicContact CE2-CG 4.24Å; Y380-E452 PolarHBondContact OH-OE1 3.08Å; Y380-V455 HydrophobicContact CD1-CG1 3.88Å; Y380-V455 HydrophobicContact CD2-CG1 3.73Å; Y380-V455 HydrophobicContact CE1-CG1 4.31Å; Y380-V455 HydrophobicContact CE2-CG1 4.19Å; Y380-V455 HydrophobicContact CG-CB 4.5Å; Y380-V455 HydrophobicContact CG-CG1 3.58Å; Y380-V455 HydrophobicContact CG-CG2 4.09Å; Y380-K456 HydrophobicContact CE1-CD 4.45Å; Y380-K456 HydrophobicContact CE1-CG 3.81Å; Y380-K456 WeakPolarHBondContact OH-CE 3.28Å; Y380-K456 PolarHBondContact OH-NZ 3.37Å; Y380-I459 HydrophobicContact CD1-CD1 3.82Å; Y380-I459 HydrophobicContact CG-CD1 4.4Å; Y380-W467 HydrophobicContact CE1-CD2 4.48Å; Y380-W467 AromaticContact CE1-CE3 3.76Å; Y380-W467 HydrophobicContact CE1-CE3 3.76Å; Y380-W467 HydrophobicContact CE1-CZ3 4.43Å |
| 381 | T | 74.5 | Confident | 61.1 | Low | 69 Ų | 69 | 79.8 Ų | 79.8 | 42% | 0.423 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 120.9 | 169.7 | -48.7 | 0 | 0 | 0 | 0 | 109.4 | K441 L443 | T381-K441 PolarHBondContact N-O 2.97Å; T381-K441 PolarHBondContact O-N 3.45Å; T381-L443 WeakPolarHBondContact OG1-CD2 3.32Å |
| 382 | R | 66.7 | Low | 62.3 | Low | 80 Ų | 80 | 73.7 Ų | 73.7 | 30% | 0.302 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 132.6 | 166 | -166 | 175.8 | -163.2 | 92.5 | 19.1 | 109.1 | D375 Y380 G384 Y440 E452 | D375-R382 VanDerWaalsContact OD1-CB 3.31Å; D375-R382 WeakPolarHBondContact OD1-CB 3.48Å; Y380-R382 PolarHBondContact O-N 3.25Å; R382-G384 PolarHBondContact O-N 3.11Å; R382-Y440 HydrophobicContact CG-CE1 4.21Å; R382-E452 IonicContact CZ-OE1 3.54Å; R382-E452 IonicContact CZ-OE2 3.14Å; R382-E452 VanDerWaalsContact CZ-OE2 3.28Å; R382-E452 IonicContact NH1-OE1 2.68Å; R382-E452 PolarHBondContact NH1-OE1 2.98Å; R382-E452 IonicContact NH1-OE2 2.76Å; R382-E452 PolarHBondContact NH1-OE2 3.4Å; R382-E452 IonicContact NH2-OE2 2.67Å; R382-E452 PolarHBondContact NH2-OE2 2.88Å |
| 383 | P | 64 | Low | 64 | Low | 23 Ų | 23 | 72.1 Ų | 72.1 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 130.8 | 173.5 | -19.6 | 30.5 | 0 | 0 | 0 | 110.3 | L385 G438 Y440 | P383-L385 PolarHBondContact O-N 3.15Å; P383-G438 WeakPolarHBondContact CB-O 3.3Å; P383-G438 WeakPolarHBondContact CG-O 3.43Å; P383-Y440 VanDerWaalsContact CD-CE1 3.42Å; P383-Y440 HydrophobicContact CG-CD1 4.1Å; P383-Y440 HydrophobicContact CG-CD2 3.68Å; P383-Y440 HydrophobicContact CG-CE1 4.19Å; P383-Y440 HydrophobicContact CG-CE2 3.78Å; P383-Y440 HydrophobicContact CG-CG 3.82Å |
| 384 | G | 53.7 | Low | 65.4 | Low | 65 Ų | 65 | 74.8 Ų | 74.8 | 67% | 0.67 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -59 | 124.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | R382 | R382-G384 PolarHBondContact O-N 3.11Š|
| 385 | L | 50.9 | Low | 66.9 | Low | 83 Ų | 83 | 78.6 Ų | 78.6 | 44% | 0.435 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -58 | 131 | 171.2 | -176.9 | 70.8 | 0 | 0 | 0 | 108.1 | P383 T387 K424 | P383-L385 PolarHBondContact O-N 3.15Å; L385-T387 PolarHBondContact O-N 3.46Å; L385-K424 HydrophobicContact CD2-CD 4.34Å; L385-K424 HydrophobicContact CD2-CG 4.09Å |
| 386 | P | 57.2 | Low | 68.5 | Low | 31 Ų | 31 | 75.2 Ų | 75.2 | 20% | 0.201 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -50.4 | 127.4 | -171.5 | -30.9 | 36.1 | 0 | 0 | 0 | 113.1 | F388 | P386-F388 HydrophobicContact CB-CE1 4.15Å; P386-F388 HydrophobicContact CB-CE2 4.25Å; P386-F388 HydrophobicContact CB-CZ 3.91Å; P386-F388 HydrophobicContact CG-CZ 4.43Å; P386-F388 WeakPolarHBondContact O-CD2 3.28Å; P386-F388 VanDerWaalsContact O-CE2 3.31Å; P386-F388 WeakPolarHBondContact O-CE2 3.49Å; P386-F388 PolarHBondContact O-N 2.81Å |
| 387 | T | 55.2 | Low | 69.9 | Low | 146 Ų | 146 | 68.7 Ų | 68.7 | 90% | 0.896 | 36% | 0.361 | S | S | * | . | trans | -75.3 | 77.9 | 178.9 | -53.2 | 0 | 0 | 0 | 0 | 109.6 | L385 S389 | L385-T387 PolarHBondContact O-N 3.46Å; T387-S389 PolarHBondContact O-N 3.49Å | ||
| 388 | F | 64.3 | Low | 71 | Confident | 21 Ų | 21 | 69.6 Ų | 69.6 | 9% | 0.092 | 37% | 0.372 | C | S | . | . | trans | -55.8 | 129.6 | 174.9 | -57.3 | -72.1 | 0 | 0 | 0 | 110.4 | P386 L393 W396 K424 L427 F435 | P386-F388 HydrophobicContact CB-CE1 4.15Å; P386-F388 HydrophobicContact CB-CE2 4.25Å; P386-F388 HydrophobicContact CB-CZ 3.91Å; P386-F388 HydrophobicContact CG-CZ 4.43Å; P386-F388 WeakPolarHBondContact O-CD2 3.28Å; P386-F388 VanDerWaalsContact O-CE2 3.31Å; P386-F388 WeakPolarHBondContact O-CE2 3.49Å; P386-F388 PolarHBondContact O-N 2.81Å; F388-L393 HydrophobicContact CB-CD2 4.07Å; F388-L393 HydrophobicContact CB-CG 4.19Å; F388-W396 AromaticContact CD1-CH2 3.59Å; F388-W396 HydrophobicContact CD1-CH2 3.59Å; F388-W396 HydrophobicContact CD1-CZ3 4.1Å; F388-W396 HydrophobicContact CD2-CZ3 4.41Å; F388-W396 AromaticContact CE1-CH2 3.76Å; F388-W396 HydrophobicContact CE1-CH2 3.76Å; F388-W396 HydrophobicContact CE1-CZ3 4.44Å; F388-W396 HydrophobicContact CG-CH2 4.06Å; F388-W396 HydrophobicContact CG-CZ3 4.09Å; F388-W396 HydrophobicContact CZ-CH2 4.35Å; F388-K424 HydrophobicContact CE2-CG 4.16Å; F388-L427 HydrophobicContact CE1-CD1 3.84Å; F388-L427 HydrophobicContact CZ-CB 3.94Å; F388-L427 HydrophobicContact CZ-CD1 3.66Å; F388-L427 HydrophobicContact CZ-CG 4.42Å; F388-F435 HydrophobicContact CD1-CE1 4.3Å; F388-F435 AromaticContact CE1-CD1 3.81Å; F388-F435 HydrophobicContact CE1-CD1 3.81Å; F388-F435 HydrophobicContact CE1-CE1 4.01Å; F388-F435 HydrophobicContact CE1-CG 4.5Å | ||
| 389 | S | 69.1 | Low | 71.8 | Confident | 56 Ų | 56 | 71 Ų | 71 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | trans | -60.7 | 150.7 | 178.3 | 74 | 0 | 0 | 0 | 0 | 111 | T387 E391 V392 L393 | T387-S389 PolarHBondContact O-N 3.49Å; S389-E391 PolarHBondContact O-N 3.21Å; S389-V392 PolarHBondContact O-N 2.77Å; S389-V392 VanDerWaalsContact O-N 3.13Å; S389-V392 WeakPolarHBondContact OG-CG2 3.29Å; S389-V392 PolarHBondContact OG-N 3.08Å; S389-L393 PolarHBondContact O-N 3.28Å | ||
| 390 | Q | 72.3 | Confident | 72.8 | Confident | 150 Ų | 150 | 71 Ų | 71 | 70% | 0.701 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.8 | -29.3 | -177.5 | -172.3 | 161.4 | -25.1 | 0 | 0 | 111.8 | H394 | Q390-H394 PolarHBondContact O-N 3.23Å; Q390-H394 VanDerWaalsContact O-N 3.1Å; Q390-H394 PolarHBondContact O-ND1 3.4Å |
| 391 | E | 72.4 | Confident | 73.4 | Confident | 158 Ų | 158 | 79.5 Ų | 79.5 | 74% | 0.738 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65 | -48.6 | 173.4 | -66.9 | 157.6 | -162.8 | 0 | 0 | 112.8 | S389 L393 H394 K395 | S389-E391 PolarHBondContact O-N 3.21Å; E391-L393 VanDerWaalsContact C-N 3.25Å; E391-L393 PolarHBondContact O-N 3.03Å; E391-H394 CarbonylContact O-C 3.49Å; E391-H394 WeakPolarHBondContact O-CA 3.47Å; E391-H394 PolarHBondContact O-N 3.38Å; E391-K395 PolarHBondContact O-N 3.3Å |
| 392 | V | 79.4 | Confident | 74 | Confident | 50 Ų | 50 | 83 Ų | 83 | 30% | 0.303 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -59.5 | -40.1 | 177.9 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | S389 H394 K395 W396 | S389-V392 PolarHBondContact O-N 2.77Å; S389-V392 VanDerWaalsContact O-N 3.13Å; S389-V392 WeakPolarHBondContact OG-CG2 3.29Å; S389-V392 PolarHBondContact OG-N 3.08Å; V392-H394 VanDerWaalsContact C-N 3.34Å; V392-H394 PolarHBondContact O-N 2.96Å; V392-K395 PolarHBondContact O-N 3.29Å; V392-W396 HydrophobicContact CG1-CD2 3.89Å; V392-W396 VanDerWaalsContact CG1-CE2 3.47Å; V392-W396 HydrophobicContact CG1-CE3 4.16Å; V392-W396 HydrophobicContact CG1-CH2 3.7Å; V392-W396 HydrophobicContact CG1-CZ2 3.36Å; V392-W396 HydrophobicContact CG1-CZ3 4.09Å; V392-W396 WeakPolarHBondContact O-CB 3.39Å; V392-W396 VanDerWaalsContact O-CG 3.3Å; V392-W396 PolarHBondContact O-N 2.9Å |
| 393 | L | 79.9 | Confident | 74.7 | Confident | 42 Ų | 42 | 84 Ų | 84 | 22% | 0.22 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.6 | -33.3 | 174.1 | -61.5 | 175 | 0 | 0 | 0 | 112.8 | F388 S389 E391 W396 K397 V420 | F388-L393 HydrophobicContact CB-CD2 4.07Å; F388-L393 HydrophobicContact CB-CG 4.19Å; S389-L393 PolarHBondContact O-N 3.28Å; E391-L393 VanDerWaalsContact C-N 3.25Å; E391-L393 PolarHBondContact O-N 3.03Å; L393-W396 HydrophobicContact CD2-CE3 3.88Å; L393-W396 HydrophobicContact CD2-CZ3 3.96Å; L393-K397 VanDerWaalsContact O-CG 3.22Å; L393-K397 WeakPolarHBondContact O-CG 3.35Å; L393-K397 PolarHBondContact O-N 3.46Å; L393-K397 VanDerWaalsContact O-N 3.08Å; L393-V420 HydrophobicContact CD2-CG1 4.04Å |
| 394 | H | 81.3 | Confident | 75.6 | Confident | 88 Ų | 88 | 89.8 Ų | 89.8 | 41% | 0.407 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -74.5 | -36.6 | 174.1 | -76.9 | 99 | 0 | 0 | 0 | 113 | Q390 E391 V392 K397 T398 | Q390-H394 PolarHBondContact O-N 3.23Å; Q390-H394 VanDerWaalsContact O-N 3.1Å; Q390-H394 PolarHBondContact O-ND1 3.4Å; E391-H394 CarbonylContact O-C 3.49Å; E391-H394 WeakPolarHBondContact O-CA 3.47Å; E391-H394 PolarHBondContact O-N 3.38Å; V392-H394 VanDerWaalsContact C-N 3.34Å; V392-H394 PolarHBondContact O-N 2.96Å; H394-K397 PolarHBondContact NE2-NZ 2.98Å; H394-K397 PolarHBondContact O-N 3.09Å; H394-T398 WeakPolarHBondContact O-CB 3.44Å; H394-T398 PolarHBondContact O-N 2.88Å; H394-T398 PolarHBondContact O-OG1 3.24Å |
| 395 | K | 83.8 | Confident | 77.1 | Confident | 141 Ų | 141 | 94.2 Ų | 94.2 | 61% | 0.613 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -58.8 | -52.8 | 171.3 | -172.6 | 173.8 | 179.6 | 178.7 | 0 | 110.2 | E391 V392 K397 T398 D399 | E391-K395 PolarHBondContact O-N 3.3Å; V392-K395 PolarHBondContact O-N 3.29Å; K395-K397 PolarHBondContact O-N 3.34Å; K395-T398 CarbonylContact O-C 3.52Å; K395-T398 WeakPolarHBondContact O-CA 3.43Å; K395-T398 WeakPolarHBondContact O-CB 3.3Å; K395-T398 PolarHBondContact O-N 2.97Å; K395-D399 PolarHBondContact O-N 3.46Å |
| 396 | W | 88.5 | Confident | 78.7 | Confident | 17 Ų | 17 | 91 Ų | 91 | 6% | 0.064 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -59.2 | -40.5 | 176.8 | -68.9 | -13.6 | 0 | 0 | 0 | 114.4 | F388 V392 L393 T398 D399 I400 I406 P409 V420 L423 L427 | F388-W396 AromaticContact CD1-CH2 3.59Å; F388-W396 HydrophobicContact CD1-CH2 3.59Å; F388-W396 HydrophobicContact CD1-CZ3 4.1Å; F388-W396 HydrophobicContact CD2-CZ3 4.41Å; F388-W396 AromaticContact CE1-CH2 3.76Å; F388-W396 HydrophobicContact CE1-CH2 3.76Å; F388-W396 HydrophobicContact CE1-CZ3 4.44Å; F388-W396 HydrophobicContact CG-CH2 4.06Å; F388-W396 HydrophobicContact CG-CZ3 4.09Å; F388-W396 HydrophobicContact CZ-CH2 4.35Å; V392-W396 HydrophobicContact CG1-CD2 3.89Å; V392-W396 VanDerWaalsContact CG1-CE2 3.47Å; V392-W396 HydrophobicContact CG1-CE3 4.16Å; V392-W396 HydrophobicContact CG1-CH2 3.7Å; V392-W396 HydrophobicContact CG1-CZ2 3.36Å; V392-W396 HydrophobicContact CG1-CZ3 4.09Å; V392-W396 WeakPolarHBondContact O-CB 3.39Å; V392-W396 VanDerWaalsContact O-CG 3.3Å; V392-W396 PolarHBondContact O-N 2.9Å; L393-W396 HydrophobicContact CD2-CE3 3.88Å; L393-W396 HydrophobicContact CD2-CZ3 3.96Å; W396-T398 VanDerWaalsContact C-N 3.29Å; W396-T398 PolarHBondContact O-N 3.38Å; W396-D399 PolarHBondContact O-N 2.97Å; W396-I400 WeakPolarHBondContact O-CG1 3.3Å; W396-I400 PolarHBondContact O-N 3.45Å; W396-I406 HydrophobicContact CB-CD1 3.51Å; W396-I406 HydrophobicContact CG-CD1 3.83Å; W396-I406 WeakPolarHBondContact O-CD1 3.4Å; W396-P409 HydrophobicContact CZ2-CG 3.69Å; W396-V420 HydrophobicContact CB-CG2 4.31Å; W396-V420 HydrophobicContact CE3-CG1 4.18Å; W396-L423 HydrophobicContact CD2-CD2 3.81Å; W396-L423 HydrophobicContact CE3-CD2 4.07Å; W396-L423 HydrophobicContact CG-CD2 4.26Å; W396-L423 HydrophobicContact CH2-CD2 4.4Å; W396-L423 HydrophobicContact CZ2-CD2 4.18Å; W396-L423 HydrophobicContact CZ3-CD2 4.34Å; W396-L427 HydrophobicContact CH2-CD1 3.57Å; W396-L427 HydrophobicContact CZ2-CD1 4.19Å; W396-L427 HydrophobicContact CZ3-CD1 4.26Å |
| 397 | K | 85.2 | Confident | 80 | Confident | 112 Ų | 112 | 96.2 Ų | 96.2 | 49% | 0.487 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.7 | -40.8 | 171.6 | -74 | 169.4 | -169.2 | 175.2 | 0 | 111.7 | L393 H394 K395 K401 V420 | L393-K397 VanDerWaalsContact O-CG 3.22Å; L393-K397 WeakPolarHBondContact O-CG 3.35Å; L393-K397 PolarHBondContact O-N 3.46Å; L393-K397 VanDerWaalsContact O-N 3.08Å; H394-K397 PolarHBondContact NE2-NZ 2.98Å; H394-K397 PolarHBondContact O-N 3.09Å; K395-K397 PolarHBondContact O-N 3.34Å; K397-K401 WeakPolarHBondContact O-CB 3.43Å; K397-K401 PolarHBondContact O-N 3.36Å; K397-V420 HydrophobicContact CG-CG2 4.04Å |
| 398 | T | 85.3 | Confident | 81.3 | Confident | 85 Ų | 85 | 89.9 Ų | 89.9 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -69.3 | -42.1 | 179.3 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | H394 K395 W396 I400 K401 K402 | H394-T398 WeakPolarHBondContact O-CB 3.44Å; H394-T398 PolarHBondContact O-N 2.88Å; H394-T398 PolarHBondContact O-OG1 3.24Å; K395-T398 CarbonylContact O-C 3.52Å; K395-T398 WeakPolarHBondContact O-CA 3.43Å; K395-T398 WeakPolarHBondContact O-CB 3.3Å; K395-T398 PolarHBondContact O-N 2.97Å; W396-T398 VanDerWaalsContact C-N 3.29Å; W396-T398 PolarHBondContact O-N 3.38Å; T398-I400 PolarHBondContact O-N 3Å; T398-K401 CarbonylContact O-C 3.57Å; T398-K401 PolarHBondContact O-N 3.43Å; T398-K401 VanDerWaalsContact O-N 3.11Å; T398-K402 WeakPolarHBondContact O-CB 3.36Å; T398-K402 PolarHBondContact O-N 2.9Å |
| 399 | D | 84.8 | Confident | 82 | Confident | 38 Ų | 38 | 91.6 Ų | 91.6 | 20% | 0.203 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -64.6 | -38.3 | 177.1 | -66.9 | -37.4 | 0 | 0 | 0 | 111.8 | K395 W396 K402 Y403 I406 | K395-D399 PolarHBondContact O-N 3.46Å; W396-D399 PolarHBondContact O-N 2.97Å; D399-K402 PolarHBondContact O-N 3.29Å; D399-Y403 HydrophobicContact CB-CD2 4.34Å; D399-Y403 WeakPolarHBondContact O-CB 3.44Å; D399-Y403 PolarHBondContact O-N 3.44Å; D399-I406 HydrophobicContact CB-CG1 4.46Å |
| 400 | I | 88.6 | Confident | 82.2 | Confident | 34 Ų | 34 | 89.2 Ų | 89.2 | 17% | 0.174 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 169 | -69.3 | 158.7 | 0 | 0 | 0 | 110.7 | W396 T398 K402 H404 I406 V420 | W396-I400 WeakPolarHBondContact O-CG1 3.3Å; W396-I400 PolarHBondContact O-N 3.45Å; T398-I400 PolarHBondContact O-N 3Å; I400-K402 PolarHBondContact O-N 3.46Å; I400-H404 WeakPolarHBondContact O-CA 3.37Å; I400-H404 PolarHBondContact O-N 3.32Å; I400-I406 HydrophobicContact CD1-CD1 3.68Å; I400-I406 HydrophobicContact CD1-CG1 4.06Å; I400-I406 HydrophobicContact CG1-CD1 3.73Å; I400-I406 HydrophobicContact CG1-CG1 3.55Å; I400-V420 HydrophobicContact CD1-CB 4.43Å; I400-V420 HydrophobicContact CD1-CG2 3.5Å; I400-V420 VanDerWaalsContact CD1-N 3.34Å |
| 401 | K | 85.4 | Confident | 81.9 | Confident | 180 Ų | 180 | 90.2 Ų | 90.2 | 78% | 0.783 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.7 | -31.1 | 179.9 | -169.9 | 176.3 | 178.9 | -177.6 | 0 | 112.7 | K397 T398 | K397-K401 WeakPolarHBondContact O-CB 3.43Å; K397-K401 PolarHBondContact O-N 3.36Å; T398-K401 CarbonylContact O-C 3.57Å; T398-K401 PolarHBondContact O-N 3.43Å; T398-K401 VanDerWaalsContact O-N 3.11Å |
| 402 | K | 85.4 | Confident | 81.5 | Confident | 142 Ų | 142 | 85.9 Ų | 85.9 | 62% | 0.617 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -90.2 | -45.2 | -178.5 | -167.8 | 176.9 | 177 | -162.8 | 0 | 113.5 | T398 D399 I400 | T398-K402 WeakPolarHBondContact O-CB 3.36Å; T398-K402 PolarHBondContact O-N 2.9Å; D399-K402 PolarHBondContact O-N 3.29Å; I400-K402 PolarHBondContact O-N 3.46Å |
| 403 | Y | 81.8 | Confident | 81.4 | Confident | 103 Ų | 103 | 84.5 Ų | 84.5 | 40% | 0.404 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -112.8 | -5.1 | -171.1 | -51.7 | -63.7 | 0 | 0 | 0 | 114.2 | D399 R405 | D399-Y403 HydrophobicContact CB-CD2 4.34Å; D399-Y403 WeakPolarHBondContact O-CB 3.44Å; D399-Y403 PolarHBondContact O-N 3.44Å; Y403-R405 WeakPolarHBondContact O-CG 3.34Å; Y403-R405 PolarHBondContact O-N 3.22Å; Y403-R405 PolarHBondContact O-NH1 3.34Å |
| 404 | H | 83.3 | Confident | 81.4 | Confident | 144 Ų | 144 | 91.1 Ų | 91.1 | 67% | 0.667 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 59.9 | 9.7 | -176 | -64 | 70.4 | 0 | 0 | 0 | 114.9 | I400 | I400-H404 WeakPolarHBondContact O-CA 3.37Å; I400-H404 PolarHBondContact O-N 3.32Å |
| 405 | R | 84.3 | Confident | 81.4 | Confident | 157 Ų | 157 | 88 Ų | 88 | 59% | 0.592 | 43% | 0.43 | S | S | * | . | trans | -155.9 | 148.7 | -177.5 | 68.3 | -164.3 | 177.7 | -91 | 13 | 111.3 | Y403 V416 Y417 | Y403-R405 WeakPolarHBondContact O-CG 3.34Å; Y403-R405 PolarHBondContact O-N 3.22Å; Y403-R405 PolarHBondContact O-NH1 3.34Å; R405-V416 HydrophobicContact CB-CG1 3.72Å; R405-V416 HydrophobicContact CG-CG1 4.33Å; R405-Y417 CarbonylContact C-O 3.58Å; R405-Y417 WeakPolarHBondContact CA-O 3.37Å | ||
| 406 | I | 86.3 | Confident | 81.5 | Confident | 17 Ų | 17 | 85.1 Ų | 85.1 | 9% | 0.087 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138.5 | 164.8 | -31.6 | 175.5 | 0 | 0 | 0 | 107.8 | W396 D399 I400 V416 Y417 L423 | W396-I406 HydrophobicContact CB-CD1 3.51Å; W396-I406 HydrophobicContact CG-CD1 3.83Å; W396-I406 WeakPolarHBondContact O-CD1 3.4Å; D399-I406 HydrophobicContact CB-CG1 4.46Å; I400-I406 HydrophobicContact CD1-CD1 3.68Å; I400-I406 HydrophobicContact CD1-CG1 4.06Å; I400-I406 HydrophobicContact CG1-CD1 3.73Å; I400-I406 HydrophobicContact CG1-CG1 3.55Å; I406-V416 CarbonylContact O-C 3.56Å; I406-V416 WeakPolarHBondContact O-CA 3.49Å; I406-Y417 PolarHBondContact N-O 3.15Å; I406-Y417 PolarHBondContact O-N 2.96Å; I406-L423 HydrophobicContact CB-CD2 4.25Å; I406-L423 HydrophobicContact CD1-CD2 3.85Å; I406-L423 HydrophobicContact CG2-CD2 4.16Å |
| 407 | Q | 82.8 | Confident | 81.5 | Confident | 140 Ų | 140 | 87.4 Ų | 87.4 | 65% | 0.654 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 162 | 163.8 | -77.3 | 162.5 | -42.4 | 0 | 0 | 110.5 | A415 V416 | Q407-A415 CarbonylContact C-O 3.49Å; Q407-A415 WeakPolarHBondContact CA-O 3.43Å; Q407-V416 HydrophobicContact CG-CG2 4.04Å |
| 408 | C | 82.3 | Confident | 81.5 | Confident | 12 Ų | 12 | 86.4 Ų | 86.4 | 8% | 0.081 | 44% | 0.44 | C | S | . | . | trans | -65.2 | 132.2 | 172.3 | -168.1 | 0 | 0 | 0 | 0 | 110.7 | N410 C413 A415 L423 H426 | C408-N410 PolarHBondContact O-N 2.97Å; C408-N410 VanDerWaalsContact O-N 3.1Å; C408-C413 HydrophobicContact CB-CB 3.92Å; C408-A415 HydrophobicContact CB-CB 4.46Å; C408-A415 PolarHBondContact N-O 2.93Å; C408-L423 HydrophobicContact CB-CD1 4.48Å; C408-H426 PolarHBondContact SG-CD2 2.96Å; C408-H426 PolarHBondContact SG-NE2 2.78Å | ||
| 409 | P | 79.8 | Confident | 81.5 | Confident | 58 Ų | 58 | 84.8 Ų | 84.8 | 38% | 0.377 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -62.8 | -9 | 172.9 | -22.8 | 31.3 | 0 | 0 | 0 | 115.3 | W396 F435 | W396-P409 HydrophobicContact CZ2-CG 3.69Å; P409-F435 HydrophobicContact CB-CD2 4.43Å; P409-F435 HydrophobicContact CB-CE2 4.21Å |
| 410 | N | 72.8 | Confident | 81.4 | Confident | 5 Ų | 5 | 84.4 Ų | 84.4 | 3% | 0.027 | 43% | 0.431 | C | S | . | . | S | Bend | trans | -85.2 | 123.9 | -176.9 | -76.4 | -18.9 | 0 | 0 | 0 | 111.3 | C408 G412 C413 C430 L432 F435 | C408-N410 PolarHBondContact O-N 2.97Å; C408-N410 VanDerWaalsContact O-N 3.1Å; N410-G412 PolarHBondContact O-N 3.26Å; N410-C413 HydrophobicContact CB-CB 4.12Å; N410-C413 WeakPolarHBondContact O-CB 3.27Å; N410-C413 PolarHBondContact O-N 3.23Å; N410-C430 PolarHBondContact ND2-SG 3.07Å; N410-L432 WeakPolarHBondContact CB-O 3.47Å; N410-L432 PolarHBondContact ND2-O 3.01Å; N410-F435 WeakPolarHBondContact OD1-CD2 3.38Å; N410-F435 PolarHBondContact OD1-N 2.91Å |
| 411 | Q | 66.1 | Low | 81.2 | Confident | 172 Ų | 172 | 87.5 Ų | 87.5 | 80% | 0.804 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 133.6 | 174.2 | -63.9 | -68.5 | 13.8 | 0 | 0 | 110.9 | C413 | Q411-C413 VanDerWaalsContact C-N 3.34Š|
| 412 | G | 64.9 | Low | 81.1 | Confident | 66 Ų | 66 | 80 Ų | 80 | 68% | 0.68 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | 3.4 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | N410 L432 | N410-G412 PolarHBondContact O-N 3.26Å; G412-L432 WeakPolarHBondContact O-CD1 3.27Å |
| 413 | C | 77.7 | Confident | 80.9 | Confident | 22 Ų | 22 | 73.2 Ų | 73.2 | 15% | 0.149 | 40% | 0.399 | C | S | . | . | trans | -111.3 | 101.2 | 178.1 | -165.1 | 0 | 0 | 0 | 0 | 113.2 | C408 N410 Q411 A415 H426 | C408-C413 HydrophobicContact CB-CB 3.92Å; N410-C413 HydrophobicContact CB-CB 4.12Å; N410-C413 WeakPolarHBondContact O-CB 3.27Å; N410-C413 PolarHBondContact O-N 3.23Å; Q411-C413 VanDerWaalsContact C-N 3.34Å; C413-A415 PolarHBondContact O-N 2.88Å; C413-A415 VanDerWaalsContact O-N 3.13Å; C413-H426 PolarHBondContact SG-CE1 3.5Å; C413-H426 PolarHBondContact SG-NE2 3.42Å | ||
| 414 | E | 79.2 | Confident | 80.8 | Confident | 180 Ų | 180 | 72.3 Ų | 72.3 | 84% | 0.841 | 40% | 0.397 | S | S | * | . | trans | -75.4 | 7 | -179.8 | -57.9 | -175.2 | 165.4 | 0 | 0 | 114.6 | V416 | E414-V416 WeakPolarHBondContact O-CG2 3.41Å; E414-V416 PolarHBondContact O-N 3.19Å | ||
| 415 | A | 80.9 | Confident | 80.5 | Confident | 24 Ų | 24 | 68.7 Ų | 68.7 | 20% | 0.198 | 39% | 0.393 | C | S | . | . | trans | -66.8 | 127.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q407 C408 C413 Y417 | Q407-A415 CarbonylContact C-O 3.49Å; Q407-A415 WeakPolarHBondContact CA-O 3.43Å; C408-A415 HydrophobicContact CB-CB 4.46Å; C408-A415 PolarHBondContact N-O 2.93Å; C413-A415 PolarHBondContact O-N 2.88Å; C413-A415 VanDerWaalsContact O-N 3.13Å; A415-Y417 HydrophobicContact CB-CE2 3.65Å | ||
| 416 | V | 86.6 | Confident | 80.3 | Confident | 79 Ų | 79 | 62.5 Ų | 62.5 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132 | -175.3 | -170.9 | 0 | 0 | 0 | 0 | 111.3 | R405 I406 Q407 E414 | R405-V416 HydrophobicContact CB-CG1 3.72Å; R405-V416 HydrophobicContact CG-CG1 4.33Å; I406-V416 CarbonylContact O-C 3.56Å; I406-V416 WeakPolarHBondContact O-CA 3.49Å; Q407-V416 HydrophobicContact CG-CG2 4.04Å; E414-V416 WeakPolarHBondContact O-CG2 3.41Å; E414-V416 PolarHBondContact O-N 3.19Å |
| 417 | Y | 87.8 | Confident | 79.7 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 26% | 0.255 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 137.1 | -177 | -64.9 | -76.5 | 0 | 0 | 0 | 113 | R405 I406 A415 L423 H426 | R405-Y417 CarbonylContact C-O 3.58Å; R405-Y417 WeakPolarHBondContact CA-O 3.37Å; I406-Y417 PolarHBondContact N-O 3.15Å; I406-Y417 PolarHBondContact O-N 2.96Å; A415-Y417 HydrophobicContact CB-CE2 3.65Å; Y417-L423 HydrophobicContact CD2-CB 4.18Å; Y417-L423 HydrophobicContact CD2-CD1 3.97Å; Y417-L423 HydrophobicContact CG-CB 4.29Å; Y417-H426 HydrophobicContact CD2-CB 4.43Å; Y417-H426 HydrophobicContact CE1-CB 4.29Å; Y417-H426 HydrophobicContact CE2-CB 3.55Å; Y417-H426 AromaticContact CE2-CD2 3.73Å; Y417-H426 AromaticContact CE2-CG 3.47Å; Y417-H426 VanDerWaalsContact CE2-CG 3.47Å; Y417-H426 VanDerWaalsContact CZ-CB 3.49Å; Y417-H426 AromaticContact CZ-CG 3.64Å; Y417-H426 AromaticContact CZ-ND1 3.96Å; Y417-H426 WeakPolarHBondContact OH-CB 3.35Å; Y417-H426 VanDerWaalsContact OH-CG 3.3Å; Y417-H426 PolarHBondContact OH-ND1 3.13Å; Y417-H426 VanDerWaalsContact OH-ND1 3.15Å |
| 418 | S | 86.4 | Confident | 79.1 | Confident | 92 Ų | 92 | 56.4 Ų | 56.4 | 64% | 0.643 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -88.3 | 1.8 | 173.9 | 55.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 419 | S | 85.3 | Confident | 78.2 | Confident | 50 Ų | 50 | 60.1 Ų | 60.1 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -146.6 | 145.6 | -179.1 | 68.1 | 0 | 0 | 0 | 0 | 112.8 | S421 G422 L423 | S419-S421 PolarHBondContact O-N 2.76Å; S419-G422 PolarHBondContact O-N 2.83Å; S419-G422 PolarHBondContact OG-N 2.76Å; S419-G422 VanDerWaalsContact OG-N 3.15Å; S419-L423 PolarHBondContact O-N 2.67Å; S419-L423 VanDerWaalsContact O-N 3.11Å |
| 420 | V | 82.7 | Confident | 77.7 | Confident | 31 Ų | 31 | 58 Ų | 58 | 19% | 0.188 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59.8 | -37.8 | 176.2 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | L393 W396 K397 I400 L423 K424 | L393-V420 HydrophobicContact CD2-CG1 4.04Å; W396-V420 HydrophobicContact CB-CG2 4.31Å; W396-V420 HydrophobicContact CE3-CG1 4.18Å; K397-V420 HydrophobicContact CG-CG2 4.04Å; I400-V420 HydrophobicContact CD1-CB 4.43Å; I400-V420 HydrophobicContact CD1-CG2 3.5Å; I400-V420 VanDerWaalsContact CD1-N 3.34Å; V420-L423 PolarHBondContact O-N 2.76Å; V420-K424 VanDerWaalsContact O-CB 3.23Å; V420-K424 WeakPolarHBondContact O-CB 3.37Å; V420-K424 PolarHBondContact O-N 2.94Å |
| 421 | S | 82.8 | Confident | 77.2 | Confident | 99 Ų | 99 | 63.4 Ų | 63.4 | 69% | 0.692 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.1 | -39.2 | 177.6 | -50.1 | 0 | 0 | 0 | 0 | 112.5 | S419 A425 | S419-S421 PolarHBondContact O-N 2.76Å; S421-A425 WeakPolarHBondContact O-CB 3.36Å; S421-A425 PolarHBondContact O-N 3.39Å |
| 422 | G | 83.4 | Confident | 77 | Confident | 21 Ų | 21 | 59.2 Ų | 59.2 | 22% | 0.216 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | S419 K424 A425 H426 | S419-G422 PolarHBondContact O-N 2.83Å; S419-G422 PolarHBondContact OG-N 2.76Å; S419-G422 VanDerWaalsContact OG-N 3.15Å; G422-K424 PolarHBondContact O-N 3.33Å; G422-A425 PolarHBondContact O-N 3.02Å; G422-H426 WeakPolarHBondContact O-CB 3.49Å; G422-H426 PolarHBondContact O-N 2.91Å |
| 423 | L | 82.7 | Confident | 76.7 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | 175.6 | 178.6 | 60.1 | 0 | 0 | 0 | 111.9 | W396 I406 C408 Y417 S419 V420 A425 H426 L427 | W396-L423 HydrophobicContact CD2-CD2 3.81Å; W396-L423 HydrophobicContact CE3-CD2 4.07Å; W396-L423 HydrophobicContact CG-CD2 4.26Å; W396-L423 HydrophobicContact CH2-CD2 4.4Å; W396-L423 HydrophobicContact CZ2-CD2 4.18Å; W396-L423 HydrophobicContact CZ3-CD2 4.34Å; I406-L423 HydrophobicContact CB-CD2 4.25Å; I406-L423 HydrophobicContact CD1-CD2 3.85Å; I406-L423 HydrophobicContact CG2-CD2 4.16Å; C408-L423 HydrophobicContact CB-CD1 4.48Å; Y417-L423 HydrophobicContact CD2-CB 4.18Å; Y417-L423 HydrophobicContact CD2-CD1 3.97Å; Y417-L423 HydrophobicContact CG-CB 4.29Å; S419-L423 PolarHBondContact O-N 2.67Å; S419-L423 VanDerWaalsContact O-N 3.11Å; V420-L423 PolarHBondContact O-N 2.76Å; L423-A425 VanDerWaalsContact C-N 3.34Å; L423-A425 PolarHBondContact O-N 3.43Å; L423-H426 PolarHBondContact O-N 3.45Å; L423-L427 HydrophobicContact CD1-CD1 4.08Å; L423-L427 HydrophobicContact CD1-CG 4.13Å; L423-L427 HydrophobicContact CG-CD1 3.96Å; L423-L427 HydrophobicContact CG-CG 4.44Å; L423-L427 WeakPolarHBondContact O-CG 3.38Å; L423-L427 PolarHBondContact O-N 2.89Å |
| 424 | K | 78.4 | Confident | 75.6 | Confident | 84 Ų | 84 | 64.2 Ų | 64.2 | 37% | 0.365 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.4 | -35.8 | 178 | -179 | 168 | 179.5 | 173.2 | 0 | 112.7 | L385 F388 V420 G422 G428 | L385-K424 HydrophobicContact CD2-CD 4.34Å; L385-K424 HydrophobicContact CD2-CG 4.09Å; F388-K424 HydrophobicContact CE2-CG 4.16Å; V420-K424 VanDerWaalsContact O-CB 3.23Å; V420-K424 WeakPolarHBondContact O-CB 3.37Å; V420-K424 PolarHBondContact O-N 2.94Å; G422-K424 PolarHBondContact O-N 3.33Å; K424-G428 PolarHBondContact O-N 3.46Å |
| 425 | A | 77.3 | Confident | 74.3 | Confident | 69 Ų | 69 | 59.9 Ų | 59.9 | 57% | 0.57 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -69.2 | -41.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | S421 G422 L423 G428 | S421-A425 WeakPolarHBondContact O-CB 3.36Å; S421-A425 PolarHBondContact O-N 3.39Å; G422-A425 PolarHBondContact O-N 3.02Å; L423-A425 VanDerWaalsContact C-N 3.34Å; L423-A425 PolarHBondContact O-N 3.43Å; A425-G428 PolarHBondContact O-N 3.37Å |
| 426 | H | 79.6 | Confident | 73 | Confident | 26 Ų | 26 | 63.2 Ų | 63.2 | 12% | 0.12 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64 | -42.6 | 175.7 | 169.8 | 75.3 | 0 | 0 | 0 | 112.9 | C408 C413 Y417 G422 L423 G428 S429 C430 | C408-H426 PolarHBondContact SG-CD2 2.96Å; C408-H426 PolarHBondContact SG-NE2 2.78Å; C413-H426 PolarHBondContact SG-CE1 3.5Å; C413-H426 PolarHBondContact SG-NE2 3.42Å; Y417-H426 HydrophobicContact CD2-CB 4.43Å; Y417-H426 HydrophobicContact CE1-CB 4.29Å; Y417-H426 HydrophobicContact CE2-CB 3.55Å; Y417-H426 AromaticContact CE2-CD2 3.73Å; Y417-H426 AromaticContact CE2-CG 3.47Å; Y417-H426 VanDerWaalsContact CE2-CG 3.47Å; Y417-H426 VanDerWaalsContact CZ-CB 3.49Å; Y417-H426 AromaticContact CZ-CG 3.64Å; Y417-H426 AromaticContact CZ-ND1 3.96Å; Y417-H426 WeakPolarHBondContact OH-CB 3.35Å; Y417-H426 VanDerWaalsContact OH-CG 3.3Å; Y417-H426 PolarHBondContact OH-ND1 3.13Å; Y417-H426 VanDerWaalsContact OH-ND1 3.15Å; G422-H426 WeakPolarHBondContact O-CB 3.49Å; G422-H426 PolarHBondContact O-N 2.91Å; L423-H426 PolarHBondContact O-N 3.45Å; H426-G428 PolarHBondContact O-N 3.08Å; H426-G428 VanDerWaalsContact O-N 3.15Å; H426-S429 CarbonylContact O-C 3.49Å; H426-S429 PolarHBondContact O-N 3.34Å; H426-S429 PolarHBondContact O-OG 2.84Å; H426-C430 PolarHBondContact NE2-SG 3.04Å; H426-C430 VanDerWaalsContact NE2-SG 3.41Å; H426-C430 WeakPolarHBondContact O-CB 3.16Å; H426-C430 PolarHBondContact O-N 3.47Å |
| 427 | L | 74.9 | Confident | 71.5 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -64.1 | -16.9 | 175.1 | -71.8 | 169.2 | 0 | 0 | 0 | 113.1 | F388 W396 L423 S429 F435 | F388-L427 HydrophobicContact CE1-CD1 3.84Å; F388-L427 HydrophobicContact CZ-CB 3.94Å; F388-L427 HydrophobicContact CZ-CD1 3.66Å; F388-L427 HydrophobicContact CZ-CG 4.42Å; W396-L427 HydrophobicContact CH2-CD1 3.57Å; W396-L427 HydrophobicContact CZ2-CD1 4.19Å; W396-L427 HydrophobicContact CZ3-CD1 4.26Å; L423-L427 HydrophobicContact CD1-CD1 4.08Å; L423-L427 HydrophobicContact CD1-CG 4.13Å; L423-L427 HydrophobicContact CG-CD1 3.96Å; L423-L427 HydrophobicContact CG-CG 4.44Å; L423-L427 WeakPolarHBondContact O-CG 3.38Å; L423-L427 PolarHBondContact O-N 2.89Å; L427-S429 VanDerWaalsContact C-N 3.31Å; L427-F435 HydrophobicContact CD2-CB 4.16Å |
| 428 | G | 69.9 | Low | 70.1 | Confident | 29 Ų | 29 | 59.4 Ų | 59.4 | 30% | 0.299 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -8.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K424 A425 H426 | K424-G428 PolarHBondContact O-N 3.46Å; A425-G428 PolarHBondContact O-N 3.37Å; H426-G428 PolarHBondContact O-N 3.08Å; H426-G428 VanDerWaalsContact O-N 3.15Å |
| 429 | S | 62.7 | Low | 69.3 | Low | 90 Ų | 90 | 60.1 Ų | 60.1 | 63% | 0.629 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.6 | -1 | -178.1 | 60 | 0 | 0 | 0 | 0 | 114.8 | H426 L427 T431 | H426-S429 CarbonylContact O-C 3.49Å; H426-S429 PolarHBondContact O-N 3.34Å; H426-S429 PolarHBondContact O-OG 2.84Å; L427-S429 VanDerWaalsContact C-N 3.31Å; S429-T431 PolarHBondContact O-N 3.38Å |
| 430 | C | 69.8 | Low | 68.9 | Low | 13 Ų | 13 | 59.6 Ų | 59.6 | 9% | 0.088 | 37% | 0.367 | C | S | . | . | trans | -75.4 | 112.6 | 177.9 | -168.1 | 0 | 0 | 0 | 0 | 110.4 | N410 H426 L432 | N410-C430 PolarHBondContact ND2-SG 3.07Å; H426-C430 PolarHBondContact NE2-SG 3.04Å; H426-C430 VanDerWaalsContact NE2-SG 3.41Å; H426-C430 WeakPolarHBondContact O-CB 3.16Å; H426-C430 PolarHBondContact O-N 3.47Å; C430-L432 VanDerWaalsContact C-N 3.3Å; C430-L432 PolarHBondContact SG-O 3.33Å | ||
| 431 | T | 63.1 | Low | 68.7 | Low | 120 Ų | 120 | 62.5 Ų | 62.5 | 74% | 0.736 | 38% | 0.377 | S | S | * | . | trans | -86.9 | 1.8 | -179.1 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | S429 | S429-T431 PolarHBondContact O-N 3.38Š| ||
| 432 | L | 61.8 | Low | 68.7 | Low | 84 Ų | 84 | 57.9 Ų | 57.9 | 44% | 0.44 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -106.6 | 141.8 | 176.7 | -54.8 | 177.2 | 0 | 0 | 0 | 107.9 | N410 G412 C430 | N410-L432 WeakPolarHBondContact CB-O 3.47Å; N410-L432 PolarHBondContact ND2-O 3.01Å; G412-L432 WeakPolarHBondContact O-CD1 3.27Å; C430-L432 VanDerWaalsContact C-N 3.3Å; C430-L432 PolarHBondContact SG-O 3.33Å |
| 433 | G | 58 | Low | 68.6 | Low | 32 Ų | 32 | 61.7 Ų | 61.7 | 33% | 0.33 | 36% | 0.36 | S | S | . | . | S | Bend | trans | 83.5 | 173.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | F435 V436 | G433-F435 PolarHBondContact O-N 2.93Å; G433-V436 WeakPolarHBondContact O-CG2 3.08Å |
| 434 | N | 53.7 | Low | 68.3 | Low | 161 Ų | 161 | 65.6 Ų | 65.6 | 86% | 0.861 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -82.2 | -11.4 | -164.3 | -149.3 | 37.5 | 0 | 0 | 0 | 114.4 | V436 | N434-V436 PolarHBondContact O-N 2.88Š|
| 435 | F | 52.4 | Low | 68.4 | Low | 88 Ų | 88 | 63.8 Ų | 63.8 | 39% | 0.386 | 38% | 0.378 | S | S | . | . | trans | -80.3 | 54.1 | 170.8 | -70.8 | -79.4 | 0 | 0 | 0 | 111.4 | F388 P409 N410 L427 G433 A437 | F388-F435 HydrophobicContact CD1-CE1 4.3Å; F388-F435 AromaticContact CE1-CD1 3.81Å; F388-F435 HydrophobicContact CE1-CD1 3.81Å; F388-F435 HydrophobicContact CE1-CE1 4.01Å; F388-F435 HydrophobicContact CE1-CG 4.5Å; P409-F435 HydrophobicContact CB-CD2 4.43Å; P409-F435 HydrophobicContact CB-CE2 4.21Å; N410-F435 WeakPolarHBondContact OD1-CD2 3.38Å; N410-F435 PolarHBondContact OD1-N 2.91Å; L427-F435 HydrophobicContact CD2-CB 4.16Å; G433-F435 PolarHBondContact O-N 2.93Å; F435-A437 PolarHBondContact O-N 3.21Å | ||
| 436 | V | 53.5 | Low | 68.5 | Low | 94 Ų | 94 | 68 Ų | 68 | 57% | 0.57 | 39% | 0.386 | S | S | * | . | trans | -65.3 | 108.2 | 174.7 | 179.2 | 0 | 0 | 0 | 0 | 108.2 | G433 N434 G438 | G433-V436 WeakPolarHBondContact O-CG2 3.08Å; N434-V436 PolarHBondContact O-N 2.88Å; V436-G438 PolarHBondContact O-N 3.47Å | ||
| 437 | A | 54.8 | Low | 68.4 | Low | 31 Ų | 31 | 72.4 Ų | 72.4 | 26% | 0.256 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 123.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | F435 | F435-A437 PolarHBondContact O-N 3.21Š|
| 438 | G | 59.8 | Low | 68.7 | Low | 33 Ų | 33 | 76.6 Ų | 76.6 | 34% | 0.34 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -57.7 | 169.4 | -163.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P383 V436 | P383-G438 WeakPolarHBondContact CB-O 3.3Å; P383-G438 WeakPolarHBondContact CG-O 3.43Å; V436-G438 PolarHBondContact O-N 3.47Å |
| 439 | K | 69.4 | Low | 69 | Low | 108 Ų | 108 | 77.3 Ų | 77.3 | 47% | 0.47 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -77.1 | 135.6 | 180 | -52.9 | 172.8 | -165.4 | 172.5 | 0 | 110.8 | K441 E448 F449 | K439-K441 PolarHBondContact O-N 3.17Å; K439-E448 HydrophobicContact CB-CB 3.9Å; K439-E448 HydrophobicContact CD-CB 3.65Å; K439-E448 HydrophobicContact CD-CG 4.27Å; K439-E448 WeakPolarHBondContact CD-OE2 3.34Å; K439-E448 WeakPolarHBondContact CE-OE2 3.43Å; K439-E448 HydrophobicContact CG-CB 4.45Å; K439-E448 IonicContact NZ-OE2 3.39Å; K439-E448 PolarHBondContact NZ-OE2 2.83Å; K439-F449 CarbonylContact C-O 3.56Å; K439-F449 WeakPolarHBondContact CA-O 3.48Å |
| 440 | Y | 76 | Confident | 69.3 | Low | 38 Ų | 38 | 78.8 Ų | 78.8 | 15% | 0.149 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 123.9 | 171.8 | -65.9 | -104.8 | 0 | 0 | 0 | 108.6 | Y380 R382 P383 E448 F449 E452 V455 | Y380-Y440 HydrophobicContact CD2-CD1 4.05Å; Y380-Y440 AromaticContact CE2-CD1 3.99Å; Y380-Y440 HydrophobicContact CE2-CD1 3.99Å; Y380-Y440 HydrophobicContact CE2-CE1 4.43Å; R382-Y440 HydrophobicContact CG-CE1 4.21Å; P383-Y440 VanDerWaalsContact CD-CE1 3.42Å; P383-Y440 HydrophobicContact CG-CD1 4.1Å; P383-Y440 HydrophobicContact CG-CD2 3.68Å; P383-Y440 HydrophobicContact CG-CE1 4.19Å; P383-Y440 HydrophobicContact CG-CE2 3.78Å; P383-Y440 HydrophobicContact CG-CG 3.82Å; Y440-E448 CarbonylContact O-C 3.58Å; Y440-F449 PolarHBondContact N-O 2.97Å; Y440-F449 PolarHBondContact O-N 3.24Å; Y440-E452 HydrophobicContact CD1-CB 4.05Å; Y440-E452 HydrophobicContact CD1-CG 4.31Å; Y440-E452 HydrophobicContact CE1-CB 3.45Å; Y440-E452 VanDerWaalsContact CE1-CB 3.45Å; Y440-E452 HydrophobicContact CE1-CG 3.8Å; Y440-E452 HydrophobicContact CE2-CB 4.43Å; Y440-V455 HydrophobicContact CD1-CG1 4.2Å; Y440-V455 HydrophobicContact CG-CG1 4.3Å |
| 441 | K | 78 | Confident | 69.3 | Low | 93 Ų | 93 | 81 Ų | 81 | 40% | 0.404 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128.7 | -178.5 | -51.9 | -154 | -168.5 | -151.9 | 0 | 111.1 | Y380 T381 K439 L443 E448 | Y380-K441 CarbonylContact C-O 3.56Å; Y380-K441 WeakPolarHBondContact CA-O 3.2Å; Y380-K441 VanDerWaalsContact CB-O 3.26Å; Y380-K441 WeakPolarHBondContact CB-O 3.32Å; T381-K441 PolarHBondContact N-O 2.97Å; T381-K441 PolarHBondContact O-N 3.45Å; K439-K441 PolarHBondContact O-N 3.17Å; K441-L443 PolarHBondContact O-N 3.11Å; K441-E448 HydrophobicContact CD-CG 4.21Å; K441-E448 WeakPolarHBondContact CE-OE1 3.5Å; K441-E448 HydrophobicContact CG-CG 4.31Å; K441-E448 IonicContact NZ-OE1 2.76Å; K441-E448 PolarHBondContact NZ-OE1 3.46Å |
| 442 | C | 83.8 | Confident | 69.9 | Low | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.007 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 128.1 | 171.9 | -176.7 | 0 | 0 | 0 | 0 | 110 | L444 Q446 K447 F449 V455 H458 | C442-L444 PolarHBondContact O-N 2.96Å; C442-L444 PolarHBondContact SG-N 2.84Å; C442-Q446 WeakPolarHBondContact O-CA 3.41Å; C442-Q446 PolarHBondContact O-N 3.18Å; C442-K447 PolarHBondContact N-O 2.79Å; C442-F449 HydrophobicContact CB-CE2 4.28Å; C442-V455 HydrophobicContact CB-CG2 4.02Å; C442-H458 PolarHBondContact SG-NE2 2.94Å; C442-H458 VanDerWaalsContact SG-NE2 3.44Å |
| 443 | L | 80.9 | Confident | 70.4 | Confident | 102 Ų | 102 | 77.7 Ų | 77.7 | 53% | 0.534 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.9 | 178.6 | -70 | 172.8 | 0 | 0 | 0 | 113.1 | K379 T381 K441 | K379-L443 WeakPolarHBondContact O-CB 3.43Å; K379-L443 PolarHBondContact O-N 2.81Å; T381-L443 WeakPolarHBondContact OG1-CD2 3.32Å; K441-L443 PolarHBondContact O-N 3.11Å |
| 444 | L | 77.2 | Confident | 71.5 | Confident | 81 Ų | 81 | 77.1 Ų | 77.1 | 42% | 0.424 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -22.5 | -179.4 | -55 | 176.4 | 0 | 0 | 0 | 113.6 | K379 C442 I459 H463 | K379-L444 HydrophobicContact CB-CD1 4.38Å; K379-L444 HydrophobicContact CB-CG 4.36Å; K379-L444 HydrophobicContact CD-CD1 4.19Å; K379-L444 HydrophobicContact CD-CD2 4.43Å; C442-L444 PolarHBondContact O-N 2.96Å; C442-L444 PolarHBondContact SG-N 2.84Å; L444-I459 HydrophobicContact CD1-CG2 4.18Å; L444-H463 VanDerWaalsContact CB-CE1 3.48Å; L444-H463 WeakPolarHBondContact CB-CE1 3.09Å; L444-H463 HydrophobicContact CD1-CB 3.68Å |
| 445 | C | 80 | Confident | 72.8 | Confident | 47 Ų | 47 | 69.5 Ų | 69.5 | 32% | 0.318 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -149.4 | 10.7 | 179.2 | 68.2 | 0 | 0 | 0 | 0 | 114.9 | K447 H458 H463 | C445-K447 PolarHBondContact O-N 2.64Å; C445-H458 VanDerWaalsContact SG-CE1 3.55Å; C445-H458 PolarHBondContact SG-NE2 3.35Å; C445-H463 PolarHBondContact SG-NE2 3.21Å; C445-H463 VanDerWaalsContact SG-NE2 3.41Å |
| 446 | Q | 78.9 | Confident | 74.2 | Confident | 158 Ų | 158 | 67.3 Ų | 67.3 | 74% | 0.738 | 37% | 0.367 | S | S | * | . | trans | 60 | -2.6 | 177.9 | -52 | -168.8 | 32 | 0 | 0 | 117.2 | C442 E448 | C442-Q446 WeakPolarHBondContact O-CA 3.41Å; C442-Q446 PolarHBondContact O-N 3.18Å; Q446-E448 PolarHBondContact O-N 2.94Å | ||
| 447 | K | 77.8 | Confident | 75.6 | Confident | 117 Ų | 117 | 71.1 Ų | 71.1 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | trans | -54.6 | 137 | 176.6 | -67.3 | -177.6 | -167.9 | -69.2 | 0 | 111.5 | C442 C445 F449 | C442-K447 PolarHBondContact N-O 2.79Å; C445-K447 PolarHBondContact O-N 2.64Å; K447-F449 HydrophobicContact CB-CE2 3.78Å; K447-F449 HydrophobicContact CB-CZ 4.02Å; K447-F449 WeakPolarHBondContact O-CD2 3.42Å; K447-F449 VanDerWaalsContact O-CE2 3.3Å; K447-F449 WeakPolarHBondContact O-CE2 3.39Å | ||
| 448 | E | 81.3 | Confident | 77 | Confident | 88 Ų | 88 | 70.1 Ų | 70.1 | 41% | 0.411 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 134.3 | -173.4 | -52.9 | -168.5 | 127.4 | 0 | 0 | 112 | K439 Y440 K441 Q446 | K439-E448 HydrophobicContact CB-CB 3.9Å; K439-E448 HydrophobicContact CD-CB 3.65Å; K439-E448 HydrophobicContact CD-CG 4.27Å; K439-E448 WeakPolarHBondContact CD-OE2 3.34Å; K439-E448 WeakPolarHBondContact CE-OE2 3.43Å; K439-E448 HydrophobicContact CG-CB 4.45Å; K439-E448 IonicContact NZ-OE2 3.39Å; K439-E448 PolarHBondContact NZ-OE2 2.83Å; Y440-E448 CarbonylContact O-C 3.58Å; K441-E448 HydrophobicContact CD-CG 4.21Å; K441-E448 WeakPolarHBondContact CE-OE1 3.5Å; K441-E448 HydrophobicContact CG-CG 4.31Å; K441-E448 IonicContact NZ-OE1 2.76Å; K441-E448 PolarHBondContact NZ-OE1 3.46Å; Q446-E448 PolarHBondContact O-N 2.94Å |
| 449 | F | 76.4 | Confident | 78.1 | Confident | 44 Ų | 44 | 68.6 Ų | 68.6 | 19% | 0.193 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 140.6 | -177.3 | -61 | -89.3 | 0 | 0 | 0 | 111.4 | K439 Y440 C442 K447 S451 V455 H458 | K439-F449 CarbonylContact C-O 3.56Å; K439-F449 WeakPolarHBondContact CA-O 3.48Å; Y440-F449 PolarHBondContact N-O 2.97Å; Y440-F449 PolarHBondContact O-N 3.24Å; C442-F449 HydrophobicContact CB-CE2 4.28Å; K447-F449 HydrophobicContact CB-CE2 3.78Å; K447-F449 HydrophobicContact CB-CZ 4.02Å; K447-F449 WeakPolarHBondContact O-CD2 3.42Å; K447-F449 VanDerWaalsContact O-CE2 3.3Å; K447-F449 WeakPolarHBondContact O-CE2 3.39Å; F449-S451 PolarHBondContact O-N 3.06Å; F449-V455 HydrophobicContact CB-CB 4.09Å; F449-V455 HydrophobicContact CD2-CB 3.67Å; F449-V455 HydrophobicContact CD2-CG2 3.66Å; F449-V455 HydrophobicContact CE2-CB 4.4Å; F449-V455 HydrophobicContact CE2-CG2 4.07Å; F449-V455 HydrophobicContact CG-CB 3.97Å; F449-V455 HydrophobicContact CG-CG2 4.45Å; F449-H458 HydrophobicContact CE1-CB 3.8Å; F449-H458 HydrophobicContact CE2-CB 4.14Å; F449-H458 AromaticContact CE2-CD2 3.39Å; F449-H458 WeakPolarHBondContact CE2-CD2 3.44Å; F449-H458 AromaticContact CE2-CG 3.79Å; F449-H458 HydrophobicContact CZ-CB 3.5Å; F449-H458 VanDerWaalsContact CZ-CB 3.5Å; F449-H458 AromaticContact CZ-CD2 3.36Å; F449-H458 WeakPolarHBondContact CZ-CD2 3.27Å; F449-H458 AromaticContact CZ-CG 3.25Å; F449-H458 AromaticContact CZ-ND1 3.85Å |
| 450 | V | 67.9 | Low | 78.8 | Confident | 122 Ų | 122 | 66.8 Ų | 66.8 | 74% | 0.739 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -76.5 | -9.9 | 178.7 | -172.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 451 | S | 70.9 | Confident | 79.1 | Confident | 58 Ų | 58 | 67.8 Ų | 67.8 | 41% | 0.406 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -141 | 149.4 | -178.5 | 67.9 | 0 | 0 | 0 | 0 | 114.4 | F449 S453 G454 V455 | F449-S451 PolarHBondContact O-N 3.06Å; S451-S453 VanDerWaalsContact C-N 3.28Å; S451-S453 PolarHBondContact O-N 3.2Å; S451-G454 PolarHBondContact O-N 3.45Å; S451-G454 VanDerWaalsContact O-N 3.12Å; S451-G454 PolarHBondContact OG-N 3.23Å; S451-G454 VanDerWaalsContact OG-N 3.12Å; S451-V455 PolarHBondContact O-N 3.27Å |
| 452 | E | 74.8 | Confident | 79.2 | Confident | 43 Ų | 43 | 67.9 Ų | 67.9 | 20% | 0.201 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.6 | -38.2 | 174.7 | -168.2 | 173 | 173.7 | 0 | 0 | 112 | Y380 R382 Y440 G454 V455 K456 | Y380-E452 HydrophobicContact CE2-CG 4.24Å; Y380-E452 PolarHBondContact OH-OE1 3.08Å; R382-E452 IonicContact CZ-OE1 3.54Å; R382-E452 IonicContact CZ-OE2 3.14Å; R382-E452 VanDerWaalsContact CZ-OE2 3.28Å; R382-E452 IonicContact NH1-OE1 2.68Å; R382-E452 PolarHBondContact NH1-OE1 2.98Å; R382-E452 IonicContact NH1-OE2 2.76Å; R382-E452 PolarHBondContact NH1-OE2 3.4Å; R382-E452 IonicContact NH2-OE2 2.67Å; R382-E452 PolarHBondContact NH2-OE2 2.88Å; Y440-E452 HydrophobicContact CD1-CB 4.05Å; Y440-E452 HydrophobicContact CD1-CG 4.31Å; Y440-E452 HydrophobicContact CE1-CB 3.45Å; Y440-E452 VanDerWaalsContact CE1-CB 3.45Å; Y440-E452 HydrophobicContact CE1-CG 3.8Å; Y440-E452 HydrophobicContact CE2-CB 4.43Å; E452-G454 VanDerWaalsContact C-N 3.34Å; E452-V455 WeakPolarHBondContact O-CG1 3.04Å; E452-K456 HydrophobicContact CG-CD 4.34Å; E452-K456 WeakPolarHBondContact O-CB 3.47Å; E452-K456 WeakPolarHBondContact O-CG 3.49Å; E452-K456 PolarHBondContact O-N 2.76Å; E452-K456 VanDerWaalsContact O-N 3.1Å; E452-K456 WeakPolarHBondContact OE1-CE 3.44Å; E452-K456 IonicContact OE1-NZ 3.76Å; E452-K456 PolarHBondContact OE1-NZ 2.98Å |
| 453 | S | 72.9 | Confident | 79 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 65% | 0.65 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -66.1 | -36.2 | 175.8 | -56 | 0 | 0 | 0 | 0 | 112.3 | S451 Y457 | S451-S453 VanDerWaalsContact C-N 3.28Å; S451-S453 PolarHBondContact O-N 3.2Å; S453-Y457 VanDerWaalsContact O-CB 3.31Å; S453-Y457 WeakPolarHBondContact O-CB 3.44Å; S453-Y457 PolarHBondContact O-N 2.9Å |
| 454 | G | 81.6 | Confident | 78.7 | Confident | 20 Ų | 20 | 69.9 Ų | 69.9 | 21% | 0.206 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64 | -50.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S451 E452 K456 Y457 H458 | S451-G454 PolarHBondContact O-N 3.45Å; S451-G454 VanDerWaalsContact O-N 3.12Å; S451-G454 PolarHBondContact OG-N 3.23Å; S451-G454 VanDerWaalsContact OG-N 3.12Å; E452-G454 VanDerWaalsContact C-N 3.34Å; G454-K456 PolarHBondContact O-N 3.03Å; G454-Y457 PolarHBondContact O-N 3.01Å; G454-H458 WeakPolarHBondContact O-CB 3.16Å; G454-H458 PolarHBondContact O-N 2.88Å |
| 455 | V | 80.2 | Confident | 78.5 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67.5 | -36.4 | 179.3 | 72.8 | 0 | 0 | 0 | 0 | 112.3 | Y380 Y440 C442 F449 S451 E452 H458 I459 | Y380-V455 HydrophobicContact CD1-CG1 3.88Å; Y380-V455 HydrophobicContact CD2-CG1 3.73Å; Y380-V455 HydrophobicContact CE1-CG1 4.31Å; Y380-V455 HydrophobicContact CE2-CG1 4.19Å; Y380-V455 HydrophobicContact CG-CB 4.5Å; Y380-V455 HydrophobicContact CG-CG1 3.58Å; Y380-V455 HydrophobicContact CG-CG2 4.09Å; Y440-V455 HydrophobicContact CD1-CG1 4.2Å; Y440-V455 HydrophobicContact CG-CG1 4.3Å; C442-V455 HydrophobicContact CB-CG2 4.02Å; F449-V455 HydrophobicContact CB-CB 4.09Å; F449-V455 HydrophobicContact CD2-CB 3.67Å; F449-V455 HydrophobicContact CD2-CG2 3.66Å; F449-V455 HydrophobicContact CE2-CB 4.4Å; F449-V455 HydrophobicContact CE2-CG2 4.07Å; F449-V455 HydrophobicContact CG-CB 3.97Å; F449-V455 HydrophobicContact CG-CG2 4.45Å; S451-V455 PolarHBondContact O-N 3.27Å; E452-V455 WeakPolarHBondContact O-CG1 3.04Å; V455-H458 PolarHBondContact O-N 3.23Å; V455-I459 HydrophobicContact CG2-CD1 4.05Å; V455-I459 WeakPolarHBondContact O-CD1 3.48Å; V455-I459 WeakPolarHBondContact O-CG1 3.31Å; V455-I459 PolarHBondContact O-N 3.27Å |
| 456 | K | 82.2 | Confident | 78.2 | Confident | 43 Ų | 43 | 73 Ų | 73 | 19% | 0.187 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 173.6 | -74.5 | 178.7 | -171.9 | 176.3 | 0 | 112.2 | Y380 E452 G454 H458 I459 N460 W467 | Y380-K456 HydrophobicContact CE1-CD 4.45Å; Y380-K456 HydrophobicContact CE1-CG 3.81Å; Y380-K456 WeakPolarHBondContact OH-CE 3.28Å; Y380-K456 PolarHBondContact OH-NZ 3.37Å; E452-K456 HydrophobicContact CG-CD 4.34Å; E452-K456 WeakPolarHBondContact O-CB 3.47Å; E452-K456 WeakPolarHBondContact O-CG 3.49Å; E452-K456 PolarHBondContact O-N 2.76Å; E452-K456 VanDerWaalsContact O-N 3.1Å; E452-K456 WeakPolarHBondContact OE1-CE 3.44Å; E452-K456 IonicContact OE1-NZ 3.76Å; E452-K456 PolarHBondContact OE1-NZ 2.98Å; G454-K456 PolarHBondContact O-N 3.03Å; K456-H458 VanDerWaalsContact C-N 3.32Å; K456-H458 PolarHBondContact O-N 3.35Å; K456-I459 PolarHBondContact O-N 3.41Å; K456-N460 PolarHBondContact O-N 3.44Å; K456-N460 VanDerWaalsContact O-N 3.07Å; K456-N460 PolarHBondContact O-OD1 2.83Å; K456-W467 HydrophobicContact CD-CD2 3.9Å; K456-W467 HydrophobicContact CD-CE3 4.16Å; K456-W467 HydrophobicContact CD-CG 4.37Å; K456-W467 HydrophobicContact CD-CH2 4.41Å; K456-W467 HydrophobicContact CD-CZ2 4.16Å; K456-W467 HydrophobicContact CD-CZ3 4.4Å; K456-W467 VanDerWaalsContact CE-CZ3 3.48Å; K456-W467 HydrophobicContact CG-CB 4.32Å; K456-W467 HydrophobicContact CG-CD2 3.97Å; K456-W467 HydrophobicContact CG-CE3 4.32Å; K456-W467 HydrophobicContact CG-CG 3.98Å |
| 457 | Y | 82.6 | Confident | 77.5 | Confident | 173 Ų | 173 | 68.8 Ų | 68.8 | 68% | 0.678 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.7 | -47.9 | 175.5 | 174.4 | -104.1 | 0 | 0 | 0 | 110.8 | S453 G454 I459 N460 S461 | S453-Y457 VanDerWaalsContact O-CB 3.31Å; S453-Y457 WeakPolarHBondContact O-CB 3.44Å; S453-Y457 PolarHBondContact O-N 2.9Å; G454-Y457 PolarHBondContact O-N 3.01Å; Y457-I459 PolarHBondContact O-N 2.92Å; Y457-N460 PolarHBondContact O-N 3.46Å; Y457-S461 VanDerWaalsContact O-CB 3.24Å; Y457-S461 WeakPolarHBondContact O-CB 3.48Å; Y457-S461 PolarHBondContact O-N 3.49Å; Y457-S461 PolarHBondContact O-OG 2.87Å |
| 458 | H | 84.5 | Confident | 77.1 | Confident | 11 Ų | 11 | 66 Ų | 66 | 5% | 0.051 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 178.1 | 161.4 | 65.5 | 0 | 0 | 0 | 113.4 | C442 C445 F449 G454 V455 K456 S461 V462 H463 | C442-H458 PolarHBondContact SG-NE2 2.94Å; C442-H458 VanDerWaalsContact SG-NE2 3.44Å; C445-H458 VanDerWaalsContact SG-CE1 3.55Å; C445-H458 PolarHBondContact SG-NE2 3.35Å; F449-H458 HydrophobicContact CE1-CB 3.8Å; F449-H458 HydrophobicContact CE2-CB 4.14Å; F449-H458 AromaticContact CE2-CD2 3.39Å; F449-H458 WeakPolarHBondContact CE2-CD2 3.44Å; F449-H458 AromaticContact CE2-CG 3.79Å; F449-H458 HydrophobicContact CZ-CB 3.5Å; F449-H458 VanDerWaalsContact CZ-CB 3.5Å; F449-H458 AromaticContact CZ-CD2 3.36Å; F449-H458 WeakPolarHBondContact CZ-CD2 3.27Å; F449-H458 AromaticContact CZ-CG 3.25Å; F449-H458 AromaticContact CZ-ND1 3.85Å; G454-H458 WeakPolarHBondContact O-CB 3.16Å; G454-H458 PolarHBondContact O-N 2.88Å; V455-H458 PolarHBondContact O-N 3.23Å; K456-H458 VanDerWaalsContact C-N 3.32Å; K456-H458 PolarHBondContact O-N 3.35Å; H458-S461 PolarHBondContact O-N 2.87Å; H458-V462 VanDerWaalsContact ND1-CG2 3.33Å; H458-V462 WeakPolarHBondContact ND1-CG2 3.48Å; H458-V462 WeakPolarHBondContact O-CB 3.46Å; H458-V462 PolarHBondContact O-N 3.36Å; H458-H463 AromaticContact CE1-CD2 3.93Å; H458-H463 AromaticContact CE1-NE2 3.7Å; H458-H463 AromaticContact NE2-CD2 3.76Å; H458-H463 AromaticContact NE2-NE2 3.52Å |
| 459 | I | 83.3 | Confident | 76.3 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 176.9 | -68.2 | 159.7 | 0 | 0 | 0 | 110.8 | K379 Y380 L444 V455 K456 Y457 S461 H463 A464 E465 W467 | K379-I459 HydrophobicContact CB-CD1 4.12Å; K379-I459 HydrophobicContact CB-CG2 4.46Å; K379-I459 WeakPolarHBondContact O-CD1 3.48Å; Y380-I459 HydrophobicContact CD1-CD1 3.82Å; Y380-I459 HydrophobicContact CG-CD1 4.4Å; L444-I459 HydrophobicContact CD1-CG2 4.18Å; V455-I459 HydrophobicContact CG2-CD1 4.05Å; V455-I459 WeakPolarHBondContact O-CD1 3.48Å; V455-I459 WeakPolarHBondContact O-CG1 3.31Å; V455-I459 PolarHBondContact O-N 3.27Å; K456-I459 PolarHBondContact O-N 3.41Å; Y457-I459 PolarHBondContact O-N 2.92Å; I459-S461 VanDerWaalsContact C-N 3.31Å; I459-S461 PolarHBondContact O-N 3.21Å; I459-H463 CarbonylContact O-C 3.48Å; I459-H463 WeakPolarHBondContact O-CA 3.33Å; I459-H463 WeakPolarHBondContact O-CB 3.34Å; I459-H463 PolarHBondContact O-N 3.29Å; I459-A464 PolarHBondContact O-N 2.82Å; I459-E465 HydrophobicContact CG2-CB 4.46Å; I459-E465 WeakPolarHBondContact CG2-O 3.13Å; I459-E465 PolarHBondContact O-N 2.96Å; I459-W467 HydrophobicContact CB-CB 4.41Å; I459-W467 HydrophobicContact CD1-CB 4.32Å; I459-W467 HydrophobicContact CG2-CB 4.16Å |
| 460 | N | 83.6 | Confident | 75.2 | Confident | 70 Ų | 70 | 67.7 Ų | 67.7 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.2 | -16.9 | 178.2 | -78.1 | 97.3 | 0 | 0 | 0 | 114.6 | K456 Y457 E465 D466 W467 | K456-N460 PolarHBondContact O-N 3.44Å; K456-N460 VanDerWaalsContact O-N 3.07Å; K456-N460 PolarHBondContact O-OD1 2.83Å; Y457-N460 PolarHBondContact O-N 3.46Å; N460-E465 PolarHBondContact ND2-O 2.9Å; N460-D466 PolarHBondContact ND2-OD1 2.95Å; N460-W467 VanDerWaalsContact OD1-CD1 3.27Å |
| 461 | S | 81.9 | Confident | 74.4 | Confident | 59 Ų | 59 | 66.5 Ų | 66.5 | 41% | 0.413 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -107.2 | -38 | -177.2 | 68.7 | 0 | 0 | 0 | 0 | 114.8 | Y457 H458 I459 | Y457-S461 VanDerWaalsContact O-CB 3.24Å; Y457-S461 WeakPolarHBondContact O-CB 3.48Å; Y457-S461 PolarHBondContact O-N 3.49Å; Y457-S461 PolarHBondContact O-OG 2.87Å; H458-S461 PolarHBondContact O-N 2.87Å; I459-S461 VanDerWaalsContact C-N 3.31Å; I459-S461 PolarHBondContact O-N 3.21Å |
| 462 | V | 81.4 | Confident | 73.5 | Confident | 96 Ų | 96 | 68.1 Ų | 68.1 | 58% | 0.582 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -95 | -36 | -178.8 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | H458 | H458-V462 VanDerWaalsContact ND1-CG2 3.33Å; H458-V462 WeakPolarHBondContact ND1-CG2 3.48Å; H458-V462 WeakPolarHBondContact O-CB 3.46Å; H458-V462 PolarHBondContact O-N 3.36Å |
| 463 | H | 78.4 | Confident | 72.2 | Confident | 55 Ų | 55 | 71 Ų | 71 | 26% | 0.255 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -96.1 | -6.6 | 176.5 | -62.1 | -77.1 | 0 | 0 | 0 | 112.9 | L444 C445 H458 I459 E465 | L444-H463 VanDerWaalsContact CB-CE1 3.48Å; L444-H463 WeakPolarHBondContact CB-CE1 3.09Å; L444-H463 HydrophobicContact CD1-CB 3.68Å; C445-H463 PolarHBondContact SG-NE2 3.21Å; C445-H463 VanDerWaalsContact SG-NE2 3.41Å; H458-H463 AromaticContact CE1-CD2 3.93Å; H458-H463 AromaticContact CE1-NE2 3.7Å; H458-H463 AromaticContact NE2-CD2 3.76Å; H458-H463 AromaticContact NE2-NE2 3.52Å; I459-H463 CarbonylContact O-C 3.48Å; I459-H463 WeakPolarHBondContact O-CA 3.33Å; I459-H463 WeakPolarHBondContact O-CB 3.34Å; I459-H463 PolarHBondContact O-N 3.29Å; H463-E465 HydrophobicContact CB-CB 3.99Å; H463-E465 WeakPolarHBondContact O-CB 3.3Å; H463-E465 PolarHBondContact O-N 2.96Å |
| 464 | A | 74.6 | Confident | 71.1 | Confident | 90 Ų | 90 | 70.7 Ų | 70.7 | 74% | 0.744 | 39% | 0.394 | S | S | * | . | trans | 55.4 | 17.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I459 | I459-A464 PolarHBondContact O-N 2.82Š| ||
| 465 | E | 73.6 | Confident | 69.9 | Low | 99 Ų | 99 | 73.6 Ų | 73.6 | 46% | 0.463 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -116 | 149 | -158.6 | -166.3 | 72.3 | -139.7 | 0 | 0 | 110 | K379 I459 N460 H463 W467 | K379-E465 HydrophobicContact CD-CG 4.13Å; K379-E465 IonicContact NZ-OE1 3.02Å; K379-E465 PolarHBondContact NZ-OE1 3.19Å; K379-E465 VanDerWaalsContact NZ-OE1 3.16Å; I459-E465 HydrophobicContact CG2-CB 4.46Å; I459-E465 WeakPolarHBondContact CG2-O 3.13Å; I459-E465 PolarHBondContact O-N 2.96Å; N460-E465 PolarHBondContact ND2-O 2.9Å; H463-E465 HydrophobicContact CB-CB 3.99Å; H463-E465 WeakPolarHBondContact O-CB 3.3Å; H463-E465 PolarHBondContact O-N 2.96Å; E465-W467 PolarHBondContact O-N 2.93Å |
| 466 | D | 73.1 | Confident | 68.8 | Low | 94 Ų | 94 | 81.3 Ų | 81.3 | 50% | 0.503 | 44% | 0.441 | S | S | . | . | trans | -71 | 129.6 | 173.5 | -95.2 | -30.5 | 0 | 0 | 0 | 111.3 | K379 N460 F468 | K379-D466 VanDerWaalsContact CD-O 3.28Å; K379-D466 WeakPolarHBondContact CD-O 3.18Å; K379-D466 VanDerWaalsContact CE-O 3.29Å; K379-D466 WeakPolarHBondContact CE-O 3.41Å; K379-D466 PolarHBondContact NZ-O 3.44Å; N460-D466 PolarHBondContact ND2-OD1 2.95Å; D466-F468 PolarHBondContact O-N 3.33Å | ||
| 467 | W | 64.3 | Low | 67.3 | Low | 69 Ų | 69 | 82.7 Ų | 82.7 | 26% | 0.261 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -62.9 | -7.1 | 178.4 | 64.2 | -84.9 | 0 | 0 | 0 | 114.9 | L378 K379 Y380 K456 I459 N460 E465 | L378-W467 WeakPolarHBondContact CA-O 3.35Å; L378-W467 HydrophobicContact CD2-CE3 3.8Å; L378-W467 HydrophobicContact CD2-CZ3 3.61Å; K379-W467 PolarHBondContact N-O 3.46Å; Y380-W467 HydrophobicContact CE1-CD2 4.48Å; Y380-W467 AromaticContact CE1-CE3 3.76Å; Y380-W467 HydrophobicContact CE1-CE3 3.76Å; Y380-W467 HydrophobicContact CE1-CZ3 4.43Å; K456-W467 HydrophobicContact CD-CD2 3.9Å; K456-W467 HydrophobicContact CD-CE3 4.16Å; K456-W467 HydrophobicContact CD-CG 4.37Å; K456-W467 HydrophobicContact CD-CH2 4.41Å; K456-W467 HydrophobicContact CD-CZ2 4.16Å; K456-W467 HydrophobicContact CD-CZ3 4.4Å; K456-W467 VanDerWaalsContact CE-CZ3 3.48Å; K456-W467 HydrophobicContact CG-CB 4.32Å; K456-W467 HydrophobicContact CG-CD2 3.97Å; K456-W467 HydrophobicContact CG-CE3 4.32Å; K456-W467 HydrophobicContact CG-CG 3.98Å; I459-W467 HydrophobicContact CB-CB 4.41Å; I459-W467 HydrophobicContact CD1-CB 4.32Å; I459-W467 HydrophobicContact CG2-CB 4.16Å; N460-W467 VanDerWaalsContact OD1-CD1 3.27Å; E465-W467 PolarHBondContact O-N 2.93Å |
| 468 | F | 70.3 | Confident | 66.2 | Low | 59 Ų | 59 | 80.7 Ų | 80.7 | 26% | 0.259 | 45% | 0.451 | S | S | . | . | B | Isolated β-bridge | trans | -130.5 | 139.4 | -179.6 | 172.8 | -105.3 | 0 | 0 | 0 | 111.2 | P373 K377 L378 D466 V470 | P373-F468 HydrophobicContact CB-CD2 3.61Å; P373-F468 HydrophobicContact CB-CE2 3.29Å; P373-F468 HydrophobicContact CB-CZ 4.16Å; P373-F468 HydrophobicContact CG-CD2 3.91Å; P373-F468 HydrophobicContact CG-CE2 3.92Å; K377-F468 HydrophobicContact CB-CD2 3.87Å; K377-F468 HydrophobicContact CB-CE2 3.49Å; K377-F468 VanDerWaalsContact CB-CE2 3.49Å; K377-F468 HydrophobicContact CB-CZ 4.5Å; K377-F468 HydrophobicContact CD-CE2 3.81Å; K377-F468 HydrophobicContact CD-CZ 4.26Å; K377-F468 HydrophobicContact CG-CE2 4.25Å; K377-F468 WeakPolarHBondContact O-CA 3.25Å; L378-F468 HydrophobicContact CD2-CD2 4.34Å; D466-F468 PolarHBondContact O-N 3.33Å; F468-V470 HydrophobicContact CD1-CG2 3.79Å; F468-V470 HydrophobicContact CE1-CG2 4.07Å; F468-V470 PolarHBondContact O-N 2.68Å |
| 469 | V | 64.4 | Low | 65.6 | Low | 80 Ų | 80 | 85.1 Ų | 85.1 | 49% | 0.485 | 47% | 0.472 | S | S | . | . | trans | -83 | 95.2 | 178.6 | -176.5 | 0 | 0 | 0 | 0 | 111.2 | K377 N471 | K377-V469 PolarHBondContact O-N 3.02Å; V469-N471 PolarHBondContact O-N 2.97Å | ||
| 470 | V | 53.8 | Low | 65 | Low | 87 Ų | 87 | 92.4 Ų | 92.4 | 53% | 0.527 | 50% | 0.504 | S | S | . | . | trans | -72.7 | 119.1 | 174.2 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | F468 P472 | F468-V470 HydrophobicContact CD1-CG2 3.79Å; F468-V470 HydrophobicContact CE1-CG2 4.07Å; F468-V470 PolarHBondContact O-N 2.68Å; V470-P472 WeakPolarHBondContact O-CD 3.12Å | ||
| 471 | N | 49.4 | Very low | 64.6 | Low | 98 Ų | 98 | 94.5 Ų | 94.5 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | trans | -88.3 | 113.8 | -178 | -159 | -52.4 | 0 | 0 | 0 | 111.1 | V469 T473 T474 | V469-N471 PolarHBondContact O-N 2.97Å; N471-T473 PolarHBondContact O-N 3Å; N471-T473 PolarHBondContact OD1-OG1 3.25Å; N471-T473 VanDerWaalsContact OD1-OG1 3.08Å; N471-T474 PolarHBondContact O-N 2.96Å; N471-T474 PolarHBondContact O-OG1 3.36Å | ||
| 472 | P | 51.8 | Low | 64.2 | Low | 92 Ų | 92 | 96.4 Ų | 96.4 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -2.8 | -162.9 | 29.2 | -37.2 | 0 | 0 | 0 | 115.3 | V470 T475 | V470-P472 WeakPolarHBondContact O-CD 3.12Å; P472-T475 PolarHBondContact O-OG1 3.2Å |
| 473 | T | 48.6 | Very low | 64.1 | Low | 102 Ų | 102 | 98 Ų | 98 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -77 | -23 | 180 | 53.2 | 0 | 0 | 0 | 0 | 113.5 | N471 | N471-T473 PolarHBondContact O-N 3Å; N471-T473 PolarHBondContact OD1-OG1 3.25Å; N471-T473 VanDerWaalsContact OD1-OG1 3.08Å |
| 474 | T | 49.5 | Very low | 64.2 | Low | 88 Ų | 88 | 99.5 Ų | 99.5 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -85.4 | -23.6 | -173 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | N471 S477 | N471-T474 PolarHBondContact O-N 2.96Å; N471-T474 PolarHBondContact O-OG1 3.36Å; T474-S477 PolarHBondContact O-OG 2.85Å; T474-S477 VanDerWaalsContact O-OG 3.05Å |
| 475 | T | 56.1 | Low | 64.3 | Low | 80 Ų | 80 | 101 Ų | 101 | 49% | 0.491 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.9 | -44.5 | -177.3 | 54 | 0 | 0 | 0 | 0 | 112.1 | P472 S477 F478 E479 | P472-T475 PolarHBondContact O-OG1 3.2Å; T475-S477 VanDerWaalsContact C-N 3.3Å; T475-S477 PolarHBondContact O-N 3.37Å; T475-F478 PolarHBondContact O-N 2.69Å; T475-E479 PolarHBondContact O-N 2.85Å |
| 476 | K | 56.9 | Low | 64.6 | Low | 163 Ų | 163 | 102.8 Ų | 102.8 | 71% | 0.709 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.4 | -34.2 | -179.1 | -66.4 | -176.1 | 179.1 | 179.7 | 0 | 113.1 | K480 | K476-K480 WeakPolarHBondContact O-CB 3.27Å; K476-K480 PolarHBondContact O-N 2.94Å |
| 477 | S | 51.6 | Low | 65.1 | Low | 72 Ų | 72 | 107.7 Ų | 107.7 | 50% | 0.503 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.8 | -39.9 | 176.8 | 59.2 | 0 | 0 | 0 | 0 | 112.1 | T474 T475 K480 L481 | T474-S477 PolarHBondContact O-OG 2.85Å; T474-S477 VanDerWaalsContact O-OG 3.05Å; T475-S477 VanDerWaalsContact C-N 3.3Å; T475-S477 PolarHBondContact O-N 3.37Å; S477-K480 PolarHBondContact O-N 3.47Å; S477-L481 PolarHBondContact O-N 3.38Å; S477-L481 VanDerWaalsContact O-N 3.09Å |
| 478 | F | 58.9 | Low | 65.8 | Low | 131 Ų | 131 | 110.3 Ų | 110.3 | 58% | 0.575 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.8 | -43.8 | 175.1 | -173.9 | -98.6 | 0 | 0 | 0 | 112.4 | T475 K480 L481 M482 | T475-F478 PolarHBondContact O-N 2.69Å; F478-K480 PolarHBondContact O-N 2.81Å; F478-L481 WeakPolarHBondContact O-CB 3.42Å; F478-L481 PolarHBondContact O-N 2.99Å; F478-M482 HydrophobicContact CD1-CG 4.33Å; F478-M482 HydrophobicContact CE1-CE 4.06Å; F478-M482 HydrophobicContact CE1-CG 4.01Å; F478-M482 HydrophobicContact CZ-CE 3.96Å; F478-M482 HydrophobicContact CZ-CG 4.35Å; F478-M482 HydrophobicContact CZ-SD 4.47Å; F478-M482 PolarHBondContact O-N 2.96Å |
| 479 | E | 71.1 | Confident | 66.2 | Low | 104 Ų | 104 | 112.1 Ų | 112.1 | 49% | 0.486 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.5 | -41.6 | 177.5 | -160.3 | -154.7 | 137.6 | 0 | 0 | 112 | T475 L481 M482 K483 | T475-E479 PolarHBondContact O-N 2.85Å; E479-L481 VanDerWaalsContact C-N 3.3Å; E479-L481 PolarHBondContact O-N 3.45Å; E479-M482 PolarHBondContact O-N 3.49Å; E479-K483 PolarHBondContact O-N 3.41Å; E479-K483 WeakPolarHBondContact OE1-CE 3.48Å; E479-K483 IonicContact OE1-NZ 3.92Å; E479-K483 PolarHBondContact OE1-NZ 3.25Å |
| 480 | K | 72.4 | Confident | 67.1 | Low | 152 Ų | 152 | 114 Ų | 114 | 66% | 0.661 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.1 | -39.4 | 174.8 | -165.7 | 172.3 | -174.8 | 176.5 | 0 | 111.6 | K476 S477 F478 K483 I484 | K476-K480 WeakPolarHBondContact O-CB 3.27Å; K476-K480 PolarHBondContact O-N 2.94Å; S477-K480 PolarHBondContact O-N 3.47Å; F478-K480 PolarHBondContact O-N 2.81Å; K480-K483 PolarHBondContact O-N 2.6Å; K480-I484 WeakPolarHBondContact O-CD1 3.43Å; K480-I484 WeakPolarHBondContact O-CG1 3.42Å; K480-I484 PolarHBondContact O-N 3.02Å; K480-I484 VanDerWaalsContact O-N 3.11Å |
| 481 | L | 75.4 | Confident | 68.6 | Low | 114 Ų | 114 | 114.3 Ų | 114.3 | 60% | 0.597 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.6 | -42.4 | 175.5 | -123.4 | 167.5 | 0 | 0 | 0 | 112.4 | S477 F478 E479 I484 K485 | S477-L481 PolarHBondContact O-N 3.38Å; S477-L481 VanDerWaalsContact O-N 3.09Å; F478-L481 WeakPolarHBondContact O-CB 3.42Å; F478-L481 PolarHBondContact O-N 2.99Å; E479-L481 VanDerWaalsContact C-N 3.3Å; E479-L481 PolarHBondContact O-N 3.45Å; L481-I484 PolarHBondContact O-N 3.05Å; L481-K485 PolarHBondContact O-N 3.14Å; L481-K485 VanDerWaalsContact O-N 3.08Å |
| 482 | M | 73.6 | Confident | 70.2 | Confident | 100 Ų | 100 | 115.8 Ų | 115.8 | 49% | 0.493 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.6 | -42.2 | 176.7 | -69.8 | -64.9 | -124.8 | 0 | 0 | 112.2 | F478 E479 I484 K485 Q486 | F478-M482 HydrophobicContact CD1-CG 4.33Å; F478-M482 HydrophobicContact CE1-CE 4.06Å; F478-M482 HydrophobicContact CE1-CG 4.01Å; F478-M482 HydrophobicContact CZ-CE 3.96Å; F478-M482 HydrophobicContact CZ-CG 4.35Å; F478-M482 HydrophobicContact CZ-SD 4.47Å; F478-M482 PolarHBondContact O-N 2.96Å; E479-M482 PolarHBondContact O-N 3.49Å; M482-I484 VanDerWaalsContact C-N 3.34Å; M482-I484 PolarHBondContact O-N 3.31Å; M482-K485 PolarHBondContact O-N 2.9Å; M482-Q486 PolarHBondContact O-N 3.07Å |
| 483 | K | 79.3 | Confident | 71.7 | Confident | 129 Ų | 129 | 117.6 Ų | 117.6 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.9 | -40.2 | 174 | -87.7 | 166.6 | 172.8 | 160.4 | 0 | 112.6 | E479 K480 R487 | E479-K483 PolarHBondContact O-N 3.41Å; E479-K483 WeakPolarHBondContact OE1-CE 3.48Å; E479-K483 IonicContact OE1-NZ 3.92Å; E479-K483 PolarHBondContact OE1-NZ 3.25Å; K480-K483 PolarHBondContact O-N 2.6Å; K483-R487 PolarHBondContact O-N 2.79Å; K483-R487 VanDerWaalsContact O-N 3.15Å |
| 484 | I | 80.3 | Confident | 73.4 | Confident | 86 Ų | 86 | 121 Ų | 121 | 44% | 0.441 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.4 | -48.4 | 174.8 | -68.8 | 162.8 | 0 | 0 | 0 | 110.8 | K480 L481 M482 Q486 R487 Q488 | K480-I484 WeakPolarHBondContact O-CD1 3.43Å; K480-I484 WeakPolarHBondContact O-CG1 3.42Å; K480-I484 PolarHBondContact O-N 3.02Å; K480-I484 VanDerWaalsContact O-N 3.11Å; L481-I484 PolarHBondContact O-N 3.05Å; M482-I484 VanDerWaalsContact C-N 3.34Å; M482-I484 PolarHBondContact O-N 3.31Å; I484-Q486 VanDerWaalsContact C-N 3.33Å; I484-Q486 PolarHBondContact O-N 3.33Å; I484-R487 PolarHBondContact O-N 3.11Å; I484-Q488 WeakPolarHBondContact O-CG 3.19Å; I484-Q488 PolarHBondContact O-N 3.02Å; I484-Q488 VanDerWaalsContact O-N 3.08Å |
| 485 | K | 77 | Confident | 74.9 | Confident | 121 Ų | 121 | 125.1 Ų | 125.1 | 53% | 0.526 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.8 | -38.9 | -179.8 | -171.7 | 175 | -176.9 | 175.9 | 0 | 112.7 | L481 M482 Q488 Q489 | L481-K485 PolarHBondContact O-N 3.14Å; L481-K485 VanDerWaalsContact O-N 3.08Å; M482-K485 PolarHBondContact O-N 2.9Å; K485-Q488 PolarHBondContact O-N 3.29Å; K485-Q489 PolarHBondContact O-N 2.88Å |
| 486 | Q | 79.6 | Confident | 75.9 | Confident | 137 Ų | 137 | 127.8 Ų | 127.8 | 64% | 0.64 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.4 | -43.8 | 176.1 | -172.8 | 172.4 | -1 | 0 | 0 | 111.7 | M482 I484 Q488 Q489 E490 | M482-Q486 PolarHBondContact O-N 3.07Å; I484-Q486 VanDerWaalsContact C-N 3.33Å; I484-Q486 PolarHBondContact O-N 3.33Å; Q486-Q488 VanDerWaalsContact C-N 3.35Å; Q486-Q488 PolarHBondContact O-N 2.83Å; Q486-Q489 PolarHBondContact O-N 2.83Å; Q486-E490 PolarHBondContact O-N 3.44Å; Q486-E490 VanDerWaalsContact O-N 3.11Å |
| 487 | R | 82.1 | Confident | 76.9 | Confident | 198 Ų | 198 | 126.2 Ų | 126.2 | 75% | 0.747 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.7 | -37.8 | 178.5 | -153.7 | 179.7 | -164.8 | -155.2 | 5.1 | 112.4 | K483 I484 E490 E491 | K483-R487 PolarHBondContact O-N 2.79Å; K483-R487 VanDerWaalsContact O-N 3.15Å; I484-R487 PolarHBondContact O-N 3.11Å; R487-E490 PolarHBondContact O-N 3.44Å; R487-E491 PolarHBondContact O-N 3.03Å |
| 488 | Q | 80.3 | Confident | 78.1 | Confident | 123 Ų | 123 | 129 Ų | 129 | 58% | 0.575 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -63.2 | -45.1 | 174.4 | -72.8 | 173.5 | -21.4 | 0 | 0 | 112.4 | I484 K485 Q486 E490 E491 E492 | I484-Q488 WeakPolarHBondContact O-CG 3.19Å; I484-Q488 PolarHBondContact O-N 3.02Å; I484-Q488 VanDerWaalsContact O-N 3.08Å; K485-Q488 PolarHBondContact O-N 3.29Å; Q486-Q488 VanDerWaalsContact C-N 3.35Å; Q486-Q488 PolarHBondContact O-N 2.83Å; Q488-E490 VanDerWaalsContact C-N 3.28Å; Q488-E490 PolarHBondContact O-N 2.88Å; Q488-E491 PolarHBondContact O-N 3Å; Q488-E492 WeakPolarHBondContact O-CB 3.46Å; Q488-E492 PolarHBondContact O-N 3.42Å |
| 489 | Q | 78.6 | Confident | 78.7 | Confident | 97 Ų | 97 | 132.2 Ų | 132.2 | 45% | 0.453 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.5 | -30 | 177.3 | -72 | -174.3 | -12.4 | 0 | 0 | 113.1 | K485 Q486 K493 | K485-Q489 PolarHBondContact O-N 2.88Å; Q486-Q489 PolarHBondContact O-N 2.83Å; Q489-K493 WeakPolarHBondContact O-CD 3.34Å; Q489-K493 VanDerWaalsContact O-CG 3.26Å; Q489-K493 WeakPolarHBondContact O-CG 3.45Å; Q489-K493 PolarHBondContact O-N 2.87Å |
| 490 | E | 83.7 | Confident | 78.7 | Confident | 121 Ų | 121 | 131 Ų | 131 | 57% | 0.565 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -72.5 | -42.8 | 174 | -175 | 168.4 | -150.5 | 0 | 0 | 111.8 | Q486 R487 Q488 K493 R494 | Q486-E490 PolarHBondContact O-N 3.44Å; Q486-E490 VanDerWaalsContact O-N 3.11Å; R487-E490 PolarHBondContact O-N 3.44Å; Q488-E490 VanDerWaalsContact C-N 3.28Å; Q488-E490 PolarHBondContact O-N 2.88Å; E490-K493 PolarHBondContact O-N 3.01Å; E490-R494 WeakPolarHBondContact O-CG 3.05Å; E490-R494 PolarHBondContact O-N 2.88Å |
| 491 | E | 84.7 | Confident | 78.7 | Confident | 92 Ų | 92 | 133.2 Ų | 133.2 | 43% | 0.43 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.3 | -42 | 175.5 | -160 | -165.5 | 136.3 | 0 | 0 | 112.1 | R487 Q488 K493 R494 R495 | R487-E491 PolarHBondContact O-N 3.03Å; Q488-E491 PolarHBondContact O-N 3Å; E491-K493 PolarHBondContact O-N 3.06Å; E491-R494 PolarHBondContact O-N 3.05Å; E491-R495 WeakPolarHBondContact O-CG 3.3Å; E491-R495 PolarHBondContact O-N 2.93Å; E491-R495 IonicContact OE1-CZ 2.85Å; E491-R495 IonicContact OE1-NE 2.85Å; E491-R495 PolarHBondContact OE1-NE 3.04Å; E491-R495 IonicContact OE1-NH2 2.69Å; E491-R495 PolarHBondContact OE1-NH2 3.17Å |
| 492 | E | 82.5 | Confident | 78.4 | Confident | 129 Ų | 129 | 137 Ų | 137 | 60% | 0.603 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.6 | -46.1 | 175.3 | -174.3 | 173.4 | -150 | 0 | 0 | 111.6 | Q488 R494 R495 Q496 | Q488-E492 WeakPolarHBondContact O-CB 3.46Å; Q488-E492 PolarHBondContact O-N 3.42Å; E492-R494 PolarHBondContact O-N 3.11Å; E492-R495 PolarHBondContact O-N 3.22Å; E492-Q496 WeakPolarHBondContact O-CB 3.15Å; E492-Q496 PolarHBondContact O-N 3.31Å |
| 493 | K | 83.9 | Confident | 77.9 | Confident | 130 Ų | 130 | 136 Ų | 136 | 57% | 0.565 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -59.7 | -43.8 | 174.2 | -74.2 | 168.9 | -176.1 | 174.7 | 0 | 112.2 | Q489 E490 E491 Q496 Q497 | Q489-K493 WeakPolarHBondContact O-CD 3.34Å; Q489-K493 VanDerWaalsContact O-CG 3.26Å; Q489-K493 WeakPolarHBondContact O-CG 3.45Å; Q489-K493 PolarHBondContact O-N 2.87Å; E490-K493 PolarHBondContact O-N 3.01Å; E491-K493 PolarHBondContact O-N 3.06Å; K493-Q496 PolarHBondContact O-N 2.95Å; K493-Q497 WeakPolarHBondContact O-CG 3.32Å; K493-Q497 PolarHBondContact O-N 3.11Å |
| 494 | R | 83.8 | Confident | 77.2 | Confident | 175 Ų | 175 | 135.1 Ų | 135.1 | 66% | 0.66 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.4 | -43 | 176.8 | -69 | 178.5 | 79.7 | -137 | 5.5 | 111.6 | E490 E491 E492 Q496 Q497 H498 | E490-R494 WeakPolarHBondContact O-CG 3.05Å; E490-R494 PolarHBondContact O-N 2.88Å; E491-R494 PolarHBondContact O-N 3.05Å; E492-R494 PolarHBondContact O-N 3.11Å; R494-Q496 VanDerWaalsContact C-N 3.33Å; R494-Q496 PolarHBondContact O-N 2.9Å; R494-Q497 PolarHBondContact O-N 3.4Å; R494-H498 WeakPolarHBondContact O-CB 3.16Å; R494-H498 PolarHBondContact O-N 2.86Å |
| 495 | R | 81.4 | Confident | 76.3 | Confident | 173 Ų | 173 | 140.9 Ų | 140.9 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -60.2 | -41.6 | 173.8 | -72.4 | 174.6 | 179.4 | -107.1 | 2.9 | 111.6 | E491 E492 H498 R499 | E491-R495 WeakPolarHBondContact O-CG 3.3Å; E491-R495 PolarHBondContact O-N 2.93Å; E491-R495 IonicContact OE1-CZ 2.85Å; E491-R495 IonicContact OE1-NE 2.85Å; E491-R495 PolarHBondContact OE1-NE 3.04Å; E491-R495 IonicContact OE1-NH2 2.69Å; E491-R495 PolarHBondContact OE1-NH2 3.17Å; E492-R495 PolarHBondContact O-N 3.22Å; R495-H498 PolarHBondContact O-N 3.27Å; R495-R499 WeakPolarHBondContact O-CB 3.46Å; R495-R499 PolarHBondContact O-N 3.45Å |
| 496 | Q | 77.6 | Confident | 75.3 | Confident | 136 Ų | 136 | 145.3 Ų | 145.3 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.6 | -40.1 | -179.6 | -158.9 | 167.4 | 22.4 | 0 | 0 | 112.6 | E492 K493 R494 R499 S500 | E492-Q496 WeakPolarHBondContact O-CB 3.15Å; E492-Q496 PolarHBondContact O-N 3.31Å; K493-Q496 PolarHBondContact O-N 2.95Å; R494-Q496 VanDerWaalsContact C-N 3.33Å; R494-Q496 PolarHBondContact O-N 2.9Å; Q496-R499 PolarHBondContact O-N 3.31Å; Q496-S500 PolarHBondContact O-N 3.14Å |
| 497 | Q | 78.1 | Confident | 74.2 | Confident | 131 Ų | 131 | 149.4 Ų | 149.4 | 61% | 0.612 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -61.8 | -43.4 | 170.8 | -73.3 | 178.7 | 1.3 | 0 | 0 | 112.2 | K493 R494 R499 S500 R501 | K493-Q497 WeakPolarHBondContact O-CG 3.32Å; K493-Q497 PolarHBondContact O-N 3.11Å; R494-Q497 PolarHBondContact O-N 3.4Å; Q497-R499 VanDerWaalsContact C-N 3.35Å; Q497-R499 PolarHBondContact O-N 3.43Å; Q497-S500 WeakPolarHBondContact O-CB 3.13Å; Q497-S500 PolarHBondContact O-N 3.47Å; Q497-R501 PolarHBondContact O-N 3.13Å |
| 498 | H | 76.4 | Confident | 73 | Confident | 131 Ų | 131 | 146.6 Ų | 146.6 | 61% | 0.606 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.4 | -41 | 177.2 | -170 | -112.3 | 0 | 0 | 0 | 111.9 | R494 R495 R501 R502 | R494-H498 WeakPolarHBondContact O-CB 3.16Å; R494-H498 PolarHBondContact O-N 2.86Å; R495-H498 PolarHBondContact O-N 3.27Å; H498-R501 PolarHBondContact O-N 3.3Å; H498-R502 PolarHBondContact O-N 3.49Å |
| 499 | R | 70.3 | Confident | 71.5 | Confident | 197 Ų | 197 | 148.5 Ų | 148.5 | 74% | 0.743 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -60.1 | -45.4 | 173.5 | -162 | 174.7 | -170.8 | 173.4 | 3.2 | 111.4 | R495 Q496 Q497 R502 S503 | R495-R499 WeakPolarHBondContact O-CB 3.46Å; R495-R499 PolarHBondContact O-N 3.45Å; Q496-R499 PolarHBondContact O-N 3.31Å; Q497-R499 VanDerWaalsContact C-N 3.35Å; Q497-R499 PolarHBondContact O-N 3.43Å; R499-R502 PolarHBondContact O-N 2.95Å; R499-S503 PolarHBondContact O-N 3.22Å; R499-S503 PolarHBondContact O-OG 3.14Å |
| 500 | S | 71.3 | Confident | 69.9 | Low | 79 Ų | 79 | 149.3 Ų | 149.3 | 55% | 0.552 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -60.8 | -45.8 | 176.2 | -177 | 0 | 0 | 0 | 0 | 112.7 | Q496 Q497 R502 S503 L504 | Q496-S500 PolarHBondContact O-N 3.14Å; Q497-S500 WeakPolarHBondContact O-CB 3.13Å; Q497-S500 PolarHBondContact O-N 3.47Å; S500-R502 VanDerWaalsContact C-N 3.34Å; S500-R502 PolarHBondContact O-N 3.02Å; S500-S503 WeakPolarHBondContact O-CB 3.21Å; S500-S503 PolarHBondContact O-N 2.84Å; S500-L504 PolarHBondContact O-N 2.91Å |
| 501 | R | 72.7 | Confident | 68 | Low | 198 Ų | 198 | 147 Ų | 147 | 75% | 0.747 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -60.7 | -39.5 | 175 | -78.8 | -176.9 | 164.9 | -170.4 | -5.2 | 112.7 | Q497 H498 L504 R505 | Q497-R501 PolarHBondContact O-N 3.13Å; H498-R501 PolarHBondContact O-N 3.3Å; R501-L504 PolarHBondContact O-N 3.3Å; R501-R505 PolarHBondContact O-N 2.91Å; R501-R505 VanDerWaalsContact O-N 3.15Å |
| 502 | R | 68.4 | Low | 65.9 | Low | 195 Ų | 195 | 150.4 Ų | 150.4 | 74% | 0.736 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -68.1 | -37.4 | 176.5 | -159.6 | 174.4 | -170.7 | -178.7 | 3.6 | 112.1 | H498 R499 S500 R506 | H498-R502 PolarHBondContact O-N 3.49Å; R499-R502 PolarHBondContact O-N 2.95Å; S500-R502 VanDerWaalsContact C-N 3.34Å; S500-R502 PolarHBondContact O-N 3.02Å; R502-R506 PolarHBondContact O-N 2.88Å |
| 503 | S | 64.1 | Low | 63.9 | Low | 79 Ų | 79 | 152.7 Ų | 152.7 | 55% | 0.552 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -63.5 | -39.4 | 171.2 | -65.8 | 0 | 0 | 0 | 0 | 112.6 | R499 S500 R506 | R499-S503 PolarHBondContact O-N 3.22Å; R499-S503 PolarHBondContact O-OG 3.14Å; S500-S503 WeakPolarHBondContact O-CB 3.21Å; S500-S503 PolarHBondContact O-N 2.84Å; S503-R506 PolarHBondContact O-N 3.03Å |
| 504 | L | 65.5 | Low | 61.8 | Low | 109 Ų | 109 | 154.6 Ų | 154.6 | 57% | 0.571 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -67.4 | -43 | -179.3 | -155.7 | 74.8 | 0 | 0 | 0 | 112 | S500 R501 R506 R507 | S500-L504 PolarHBondContact O-N 2.91Å; R501-L504 PolarHBondContact O-N 3.3Å; L504-R506 PolarHBondContact O-N 3.3Å; L504-R507 PolarHBondContact O-N 3.5Å; L504-R507 VanDerWaalsContact O-N 3.08Å |
| 505 | R | 60.2 | Low | 59.7 | Low | 208 Ų | 208 | 152 Ų | 152 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -62 | -39.1 | 175.5 | -80.5 | -171.6 | 171.8 | -122.9 | 0.9 | 113.2 | R501 R507 Q508 | R501-R505 PolarHBondContact O-N 2.91Å; R501-R505 VanDerWaalsContact O-N 3.15Å; R505-R507 PolarHBondContact O-N 2.85Å; R505-R507 VanDerWaalsContact O-N 3.15Å; R505-Q508 PolarHBondContact O-N 3.45Å |
| 506 | R | 56.8 | Low | 57.8 | Low | 214 Ų | 214 | 152.3 Ų | 152.3 | 81% | 0.808 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -12.7 | 175.4 | -178 | 171.8 | -83.4 | -157.2 | -5.2 | 113.2 | R502 S503 L504 | R502-R506 PolarHBondContact O-N 2.88Å; S503-R506 PolarHBondContact O-N 3.03Å; L504-R506 PolarHBondContact O-N 3.3Å |
| 507 | R | 56.6 | Low | 55.7 | Low | 222 Ų | 222 | 152.3 Ų | 152.3 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 11.8 | 178.5 | -147.8 | 178 | -169.8 | -90.5 | 1.3 | 113.6 | L504 R505 | L504-R507 PolarHBondContact O-N 3.5Å; L504-R507 VanDerWaalsContact O-N 3.08Å; R505-R507 PolarHBondContact O-N 2.85Å; R505-R507 VanDerWaalsContact O-N 3.15Å |
| 508 | Q | 56.9 | Low | 53.5 | Low | 139 Ų | 139 | 153.4 Ų | 153.4 | 65% | 0.65 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -126.3 | 11.8 | -177.8 | -68.1 | -177 | 15.1 | 0 | 0 | 113.7 | R505 P510 | R505-Q508 PolarHBondContact O-N 3.45Å; Q508-P510 WeakPolarHBondContact O-CD 3.23Å |
| 509 | Q | 47.6 | Very low | 51.3 | Low | 163 Ų | 163 | 154 Ų | 154 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 120.4 | 165 | -69.5 | -177.6 | -74.1 | 0 | 0 | 108.3 | ||
| 510 | P | 44.7 | Very low | 49.4 | Very low | 115 Ų | 115 | 149.7 Ų | 149.7 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 154.8 | 165.6 | -15.3 | 30.9 | 0 | 0 | 0 | 110.2 | Q508 | Q508-P510 WeakPolarHBondContact O-CD 3.23Š|
| 511 | G | 44.4 | Very low | 47.5 | Very low | 72 Ų | 72 | 152.7 Ų | 152.7 | 74% | 0.742 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 138.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 512 | I | 41.4 | Very low | 45.6 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 121.7 | 164.1 | -63.5 | 176.2 | 0 | 0 | 0 | 105.4 | ||
| 513 | E | 40.4 | Very low | 43.6 | Very low | 178 Ų | 178 | 150.8 Ų | 150.8 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 146 | 177.6 | -55.1 | -89.8 | 111.4 | 0 | 0 | 109.6 | ||
| 514 | L | 39.8 | Very low | 41.9 | Very low | 169 Ų | 169 | 150 Ų | 150 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | trans | -105.1 | 126.4 | 175.7 | -83 | 166.6 | 0 | 0 | 0 | 110.3 | ||||
| 515 | P | 40.2 | Very low | 40.3 | Very low | 120 Ų | 120 | 154.1 Ų | 154.1 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -89.3 | 143.8 | 157.9 | 3 | 16.7 | 0 | 0 | 0 | 110.7 | ||||
| 516 | E | 41.4 | Very low | 38.8 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | trans | -95.4 | 137.4 | 172.7 | -58.6 | 174.9 | 126.5 | 0 | 0 | 110.3 | ||||
| 517 | T | 31.9 | Very low | 37.6 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | 171.1 | 141.6 | 135.8 | 28.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 518 | E | 32.4 | Very low | 36.4 | Very low | 153 Ų | 153 | 147.4 Ų | 147.4 | 72% | 0.715 | 77% | 0.774 | S | S | * | * | trans | 52.6 | 102.5 | 141.3 | -57.8 | -57.5 | 87.3 | 0 | 0 | 124.5 | ||||
| 519 | L | 30.4 | Very low | 35.2 | Very low | 144 Ų | 144 | 151 Ų | 151 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | 41.7 | 107 | 119.1 | -77 | 165.6 | 0 | 0 | 0 | 123.1 | |||||
| 520 | S | 31.1 | Very low | 34.4 | Very low | 107 Ų | 107 | 147.9 Ų | 147.9 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -174.2 | 134.3 | 133.5 | -88.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 521 | L | 30.7 | Very low | 34 | Very low | 141 Ų | 141 | 149.1 Ų | 149.1 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | 66.5 | 123.6 | 67.9 | -63.8 | 176.4 | 0 | 0 | 0 | 112.7 | |||||
| 522 | R | 32.1 | Very low | 33.6 | Very low | 211 Ų | 211 | 152.2 Ų | 152.2 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | cis | -152.7 | 166.3 | 4.3 | -62.5 | -161.8 | 172.5 | -148.8 | -2.6 | 113.3 | ||||
| 523 | V | 27.5 | Very low | 33 | Very low | 142 Ų | 142 | 152 Ų | 152 | 86% | 0.861 | 76% | 0.761 | S | S | * | * | trans | 35.5 | 138.6 | 134.7 | 176.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 524 | G | 29 | Very low | 32.6 | Very low | 64 Ų | 64 | 147.4 Ų | 147.4 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | cis | 158.7 | -149.5 | 4.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 525 | K | 30.9 | Very low | 32.1 | Very low | 195 Ų | 195 | 145.3 Ų | 145.3 | 85% | 0.848 | 74% | 0.739 | S | S | * | * | trans | 81 | 111.5 | -170.9 | -67.8 | -175.9 | 175.9 | -179.5 | 0 | 114.2 | ||||
| 526 | D | 28.6 | Very low | 31.5 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | 88.6 | 140.7 | 79 | -88.2 | -79.6 | 0 | 0 | 0 | 112 | |||||
| 527 | Q | 31.8 | Very low | 30.9 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | cis | -157.3 | 161.2 | 19.5 | -151.9 | 145.1 | 82.3 | 0 | 0 | 113.7 | ||||
| 528 | R | 31.9 | Very low | 30.6 | Very low | 226 Ų | 226 | 139.1 Ų | 139.1 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | trans | 13.7 | 149.3 | 155.7 | -64.8 | 171.7 | 172.1 | 169.2 | -5 | 121 | ||||
| 529 | R | 32.1 | Very low | 30.2 | Very low | 215 Ų | 215 | 137.3 Ų | 137.3 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | cis | -133 | 149.1 | 19.7 | -94.5 | -178.8 | 156.9 | 161.1 | -7.2 | 110.4 | ||||
| 530 | N | 30.2 | Very low | 30.1 | Very low | 98 Ų | 98 | 140.2 Ų | 140.2 | 52% | 0.524 | 74% | 0.74 | S | S | . | * | 74 | 135.3 | 67.2 | 122.8 | -31.1 | 0 | 0 | 0 | 114.1 | |||||
| 531 | E | 36.7 | Very low | 29.9 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 66% | 0.659 | 74% | 0.741 | S | S | * | * | cis | -155.3 | 146.8 | 7 | -140.2 | 141.5 | -118.9 | 0 | 0 | 114 | ||||
| 532 | E | 35.3 | Very low | 30.1 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | trans | 43.3 | 161.6 | 141.2 | -65.5 | -170.2 | 128.2 | 0 | 0 | 123.3 | V534 | E532-V534 HydrophobicContact CB-CG2 4.37Å; E532-V534 HydrophobicContact CG-CB 4.43Å; E532-V534 HydrophobicContact CG-CG2 3.88Å | ||
| 533 | L | 28.7 | Very low | 29.8 | Very low | 159 Ų | 159 | 139.1 Ų | 139.1 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | cis | -125.3 | 146.7 | 21.7 | -95.4 | 84.7 | 0 | 0 | 0 | 111.4 | ||||
| 534 | V | 32.2 | Very low | 29.8 | Very low | 82 Ų | 82 | 140.6 Ų | 140.6 | 50% | 0.497 | 74% | 0.735 | S | S | . | * | cis | 69.2 | 125.7 | 15.2 | -155 | 0 | 0 | 0 | 0 | 112.6 | E532 | E532-V534 HydrophobicContact CB-CG2 4.37Å; E532-V534 HydrophobicContact CG-CB 4.43Å; E532-V534 HydrophobicContact CG-CG2 3.88Å | ||
| 535 | V | 29.2 | Very low | 29.9 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | cis | -143.7 | 139.9 | 47.8 | -160.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 536 | S | 27.9 | Very low | 30.3 | Very low | 102 Ų | 102 | 141.8 Ų | 141.8 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | 55.1 | 155.3 | 67.2 | -20.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 537 | A | 28.1 | Very low | 30.3 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 79% | 0.793 | 74% | 0.737 | S | S | * | * | cis | -151.5 | -171.1 | -10.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 538 | S | 26.3 | Very low | 31.1 | Very low | 110 Ų | 110 | 139.5 Ų | 139.5 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | cis | -159.4 | -167.8 | 6.2 | -155.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 539 | C | 23.3 | Very low | 31 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | -57.3 | 144.9 | 178.2 | -50.5 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 540 | K | 28.8 | Very low | 30.9 | Very low | 206 Ų | 206 | 130.3 Ų | 130.3 | 90% | 0.896 | 73% | 0.73 | S | S | * | * | -176.2 | 128.3 | 114.9 | -100 | 169.6 | -176.2 | -177.8 | 0 | 113.2 | |||||
| 541 | E | 26.9 | Very low | 30.9 | Very low | 168 Ų | 168 | 132.4 Ų | 132.4 | 79% | 0.785 | 73% | 0.734 | S | S | * | * | trans | -74.8 | 156.4 | 151.8 | -79.6 | -65.1 | 133.1 | 0 | 0 | 108.6 | ||||
| 542 | P | 34 | Very low | 30.7 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 73% | 0.733 | S | S | * | * | cis | -147 | 160.5 | 47.9 | 42.2 | -23.1 | 0 | 0 | 0 | 119.9 | ||||
| 543 | E | 26.6 | Very low | 30.5 | Very low | 157 Ų | 157 | 133.5 Ų | 133.5 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | trans | 66.7 | 151.5 | 140.8 | -79.5 | -160.3 | 109 | 0 | 0 | 123.2 | ||||
| 544 | Q | 27.8 | Very low | 30.6 | Very low | 174 Ų | 174 | 132 Ų | 132 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | 80.6 | 125.9 | 162.1 | -72.6 | 165.2 | 52.9 | 0 | 0 | 120.4 | ||||
| 545 | E | 30.7 | Very low | 30.7 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | -64.8 | 165.5 | 161.8 | -84.8 | -159.7 | 131.3 | 0 | 0 | 111.7 | ||||
| 546 | P | 38.7 | Very low | 31.4 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 74% | 0.74 | 75% | 0.75 | S | S | * | * | cis | -144.4 | 167 | 29.9 | 42 | -22.1 | 0 | 0 | 0 | 120.2 | ||||
| 547 | V | 29.1 | Very low | 32.4 | Very low | 116 Ų | 116 | 137 Ų | 137 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | trans | -27.2 | 148.4 | 140.7 | 166.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 548 | P | 47.9 | Very low | 32.6 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | cis | -136 | -168.2 | 22.8 | 32.1 | -8.9 | 0 | 0 | 0 | 116.4 | ||||
| 549 | A | 29.8 | Very low | 32.9 | Very low | 87 Ų | 87 | 142.7 Ų | 142.7 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | trans | 86.8 | 147.9 | 136.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 550 | Q | 31.3 | Very low | 33.4 | Very low | 162 Ų | 162 | 144 Ų | 144 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | cis | -169.7 | 178.6 | -29 | -151.9 | 176.7 | 20.9 | 0 | 0 | 108.5 | ||||
| 551 | F | 29.3 | Very low | 33.6 | Very low | 142 Ų | 142 | 143.1 Ų | 143.1 | 62% | 0.623 | 75% | 0.751 | S | S | * | * | trans | 61.9 | 106.3 | 164.6 | -82.7 | -99.1 | 0 | 0 | 0 | 117.1 | ||||
| 552 | Q | 32.3 | Very low | 34.2 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 62% | 0.621 | 75% | 0.753 | S | S | * | * | 82.5 | 149.8 | 100.2 | -78.9 | -170.6 | 17.5 | 0 | 0 | 114.3 | |||||
| 553 | K | 31.1 | Very low | 34.2 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 73% | 0.726 | 76% | 0.764 | S | S | * | * | cis | -160.2 | 177.1 | 15.7 | -131 | 167.4 | -179.1 | 137.1 | 0 | 111.1 | ||||
| 554 | V | 30.9 | Very low | 34.6 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 77% | 0.77 | 76% | 0.764 | S | S | * | * | trans | 65.8 | 80.7 | 145.5 | 172.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 555 | K | 33.9 | Very low | 35 | Very low | 191 Ų | 191 | 150 Ų | 150 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | -27.3 | 165.8 | 120.1 | -86.9 | 179.2 | -178.7 | 176.4 | 0 | 115.3 | |||||
| 556 | P | 43.6 | Very low | 35.5 | Very low | 117 Ų | 117 | 155.4 Ų | 155.4 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | cis | -134.8 | -113.5 | -1.6 | 25.9 | 3.2 | 0 | 0 | 0 | 114.5 | ||||
| 557 | P | 50.4 | Low | 35.3 | Very low | 105 Ų | 105 | 157.5 Ų | 157.5 | 68% | 0.682 | 79% | 0.792 | S | S | * | * | trans | -131.2 | -171.8 | -130.3 | 43 | -21.7 | 0 | 0 | 0 | 115.2 | ||||
| 558 | K | 32.4 | Very low | 35.6 | Very low | 195 Ų | 195 | 159.6 Ų | 159.6 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | trans | 141.9 | 147.4 | 162 | -81.4 | 155.2 | -172.9 | 177.4 | 0 | 107.8 | ||||
| 559 | T | 33 | Very low | 35 | Very low | 131 Ų | 131 | 162.3 Ų | 162.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | cis | -154.8 | 165 | -7.5 | 3.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 560 | N | 32 | Very low | 35.3 | Very low | 140 Ų | 140 | 166.8 Ų | 166.8 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -62.6 | 148.4 | 162.1 | -74.9 | -82.8 | 0 | 0 | 0 | 110.7 | ||||
| 561 | H | 34.4 | Very low | 35.5 | Very low | 189 Ų | 189 | 167.1 Ų | 167.1 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | -175.8 | 159.7 | 107.9 | -99.4 | -69.7 | 0 | 0 | 0 | 114.2 | |||||
| 562 | K | 39.5 | Very low | 35.9 | Very low | 193 Ų | 193 | 168.7 Ų | 168.7 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -80.5 | 140.8 | -178.2 | -59.6 | 171 | 176.5 | 176.9 | 0 | 112.7 | ||||
| 563 | R | 33.6 | Very low | 36.2 | Very low | 248 Ų | 248 | 171.3 Ų | 171.3 | 94% | 0.936 | 84% | 0.835 | S | S | * | * | trans | -172.3 | 142.9 | 131.3 | -97.6 | 163.4 | -164.1 | -149.5 | 4 | 107.1 | ||||
| 564 | G | 35.3 | Very low | 36.6 | Very low | 72 Ų | 72 | 171.6 Ų | 171.6 | 74% | 0.742 | 84% | 0.844 | S | S | * | * | cis | 100.9 | 74.6 | 0.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 565 | R | 36.4 | Very low | 37.1 | Very low | 241 Ų | 241 | 175.3 Ų | 175.3 | 91% | 0.909 | 85% | 0.85 | S | S | * | * | trans | -162.7 | 131.6 | 165.5 | -141.5 | 178.9 | -172.5 | -165.8 | 0.9 | 111.8 | ||||
| 566 | K | 40.1 | Very low | 37.3 | Very low | 282 Ų | 282 | 173.9 Ų | 173.9 | 100% | 1.226 | 85% | 0.852 | S | S | * | * | trans | 62.8 | 0 | -178.9 | -65 | -169.1 | 173.6 | -172.4 | 0 | 114 |
Retrieved 566 of 566 residues in 72.1 ms
(Link to these results)