| 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 | 39.1 | Very low | 33.2 | Very low | 247 Ų | 247 | 157.5 Ų | 157.5 | 100% | 1.217 | 85% | 0.846 | S | S | * | * | 0 | 118.7 | 0 | -80.4 | 163.1 | 162.7 | 0 | 0 | 108.1 | |||||
| 2 | R | 31.1 | Very low | 32.6 | Very low | 212 Ų | 212 | 154.2 Ų | 154.2 | 80% | 0.8 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 151.4 | -179.6 | -84.3 | 174.7 | 166.8 | 162.3 | -5.7 | 111.8 | ||
| 3 | P | 38.2 | Very low | 32.4 | Very low | 126 Ų | 126 | 154.2 Ų | 154.2 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 122.4 | 136.2 | 20.8 | -4.1 | 0 | 0 | 0 | 109.8 | ||
| 4 | R | 36.4 | Very low | 31.9 | Very low | 218 Ų | 218 | 153.8 Ų | 153.8 | 82% | 0.823 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 140.7 | 157.9 | -71.5 | 171.7 | 163.9 | 169.2 | -6.1 | 105.9 | ||
| 5 | G | 32.8 | Very low | 31.7 | Very low | 75 Ų | 75 | 150.5 Ų | 150.5 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | cis | 122.6 | 84.3 | 29.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 6 | L | 34.1 | Very low | 31.3 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 91% | 0.911 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 133.1 | 165.2 | -91.8 | 137.3 | 0 | 0 | 0 | 108.2 | ||
| 7 | P | 35 | Very low | 30.8 | Very low | 117 Ų | 117 | 155.1 Ų | 155.1 | 76% | 0.76 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 139.3 | 167 | 33.4 | -26.3 | 0 | 0 | 0 | 111 | ||
| 8 | P | 33.9 | Very low | 30.5 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 143.2 | 164.3 | 34.9 | -27.8 | 0 | 0 | 0 | 109.3 | ||
| 9 | L | 28.6 | Very low | 30.1 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 95% | 0.953 | 83% | 0.828 | S | S | * | * | trans | -111.9 | 112.5 | 169.1 | -117.4 | 152.6 | 0 | 0 | 0 | 109 | ||||
| 10 | L | 26.2 | Very low | 29.7 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 75% | 0.749 | 83% | 0.832 | S | S | * | * | trans | -79.9 | 140.4 | -176.2 | -133.8 | 112.6 | 0 | 0 | 0 | 110.3 | ||||
| 11 | V | 29.5 | Very low | 29.5 | Very low | 122 Ų | 122 | 148 Ų | 148 | 74% | 0.739 | 83% | 0.829 | S | S | * | * | trans | -64.5 | 130.7 | 165.4 | 172 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 12 | V | 26.1 | Very low | 28.8 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 71% | 0.709 | 81% | 0.807 | S | S | * | * | trans | -133.2 | 107.3 | 160.9 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | L14 | V12-L14 HydrophobicContact CG1-CD1 4.12Š| ||
| 13 | L | 29.9 | Very low | 28.4 | Very low | 155 Ų | 155 | 139.6 Ų | 139.6 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -69.9 | 134.8 | 156.4 | -86.3 | 143.6 | 0 | 0 | 0 | 108.7 | ||||
| 14 | L | 26.4 | Very low | 27.7 | Very low | 148 Ų | 148 | 140.1 Ų | 140.1 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | -158 | 108.8 | 151.2 | -105.3 | 138.8 | 0 | 0 | 0 | 110.9 | V12 | V12-L14 HydrophobicContact CG1-CD1 4.12Š| ||
| 15 | S | 28.3 | Very low | 27 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | -53.5 | 137.7 | 152.8 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 16 | C | 24.7 | Very low | 26.5 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -149.6 | 110.3 | 150.1 | -101.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 17 | W | 23.9 | Very low | 26 | Very low | 255 Ų | 255 | 137.4 Ų | 137.4 | 97% | 0.966 | 81% | 0.807 | S | S | * | * | trans | -62.6 | 142.4 | 155.4 | -72.2 | -17 | 0 | 0 | 0 | 110.1 | ||||
| 18 | A | 24.5 | Very low | 25.6 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -145.5 | 110.1 | 152.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 19 | S | 23.5 | Very low | 25.2 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -67.4 | 141.6 | 170.9 | -41.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 20 | V | 22.6 | Very low | 25 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 90% | 0.903 | 80% | 0.799 | S | S | * | * | trans | -127.4 | 117.3 | 150.4 | 177.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 21 | S | 24.8 | Very low | 24.8 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -95.3 | 137.6 | 173.1 | -53.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 22 | A | 24.2 | Very low | 24.7 | Very low | 90 Ų | 90 | 133.8 Ų | 133.8 | 74% | 0.744 | 81% | 0.806 | S | S | * | * | trans | -162.2 | 91.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 23 | Q | 24.1 | Very low | 24.6 | Very low | 193 Ų | 193 | 137.7 Ų | 137.7 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | 89.4 | 120.1 | 94.7 | -93 | -171.7 | -25.4 | 0 | 0 | 113.3 | |||||
| 24 | T | 23.3 | Very low | 24.3 | Very low | 138 Ų | 138 | 133.4 Ų | 133.4 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | -61.7 | 138 | 177.7 | -32.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 25 | E | 21.9 | Very low | 24.1 | Very low | 200 Ų | 200 | 133.8 Ų | 133.8 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | trans | -141 | 114.9 | 148 | -150.3 | 168.1 | -157 | 0 | 0 | 108.8 | ||||
| 26 | A | 21.8 | Very low | 23.8 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 61% | 0.612 | 81% | 0.809 | S | S | * | * | trans | -99.2 | 134.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 27 | T | 22.4 | Very low | 23.8 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | 158.9 | 175.2 | 83.8 | -9.5 | 0 | 0 | 0 | 0 | 105.5 | |||||
| 28 | P | 28.2 | Very low | 23.8 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | cis | -129.8 | -179 | -17.4 | 35.3 | -15.1 | 0 | 0 | 0 | 113.9 | ||||
| 29 | A | 25 | Very low | 23.8 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | -56.9 | 145 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 30 | V | 23.3 | Very low | 23.8 | Very low | 128 Ų | 128 | 130.3 Ų | 130.3 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -129.1 | 113.3 | 159.8 | 176.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 31 | T | 23.6 | Very low | 23.8 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | -81.3 | 131 | 161.7 | 32.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 32 | T | 27.1 | Very low | 23.8 | Very low | 132 Ų | 132 | 131.2 Ų | 131.2 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | -146.1 | 116.5 | 151.4 | 39.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 33 | E | 24.2 | Very low | 23.8 | Very low | 200 Ų | 200 | 130.4 Ų | 130.4 | 94% | 0.935 | 78% | 0.783 | S | S | * | * | trans | -58.7 | 163.4 | 158.6 | -65 | -174 | 132.2 | 0 | 0 | 111.8 | ||||
| 34 | G | 22.5 | Very low | 23.8 | Very low | 65 Ų | 65 | 127.7 Ų | 127.7 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | 149.1 | 81.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 35 | L | 22.8 | Very low | 23.9 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | 64.4 | 133.2 | 125.3 | -75.8 | 151.2 | 0 | 0 | 0 | 122.8 | |||||
| 36 | N | 22.5 | Very low | 24.1 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | trans | 97.3 | 106.2 | 140.8 | -67.4 | -11 | 0 | 0 | 0 | 118.3 | ||||
| 37 | S | 23.4 | Very low | 24.3 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | 82.7 | 133.9 | 89.7 | -59 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 38 | T | 23.7 | Very low | 24.4 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 80% | 0.798 | 78% | 0.779 | S | S | * | * | cis | -168.7 | 147.1 | 40.5 | -22.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 39 | E | 25.3 | Very low | 24.3 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -22.6 | 143.6 | 154.4 | -171.7 | 169.9 | -168 | 0 | 0 | 119.3 | ||||
| 40 | A | 23.1 | Very low | 24.4 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | trans | -153 | 104.1 | 141.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 41 | T | 23.3 | Very low | 24.4 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | trans | -86.8 | 139.1 | 165.8 | 31.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 42 | L | 24.3 | Very low | 24.6 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | 166.8 | 145.4 | 144.9 | -119.3 | 77.5 | 0 | 0 | 0 | 107.6 | ||||
| 43 | A | 24.6 | Very low | 24.8 | Very low | 73 Ų | 73 | 135.5 Ų | 135.5 | 60% | 0.603 | 79% | 0.785 | S | S | * | * | cis | -160.7 | 149.5 | 2.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 44 | T | 24 | Very low | 25.1 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | trans | -66.2 | 136.5 | 167.7 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 45 | F | 25.3 | Very low | 25.4 | Very low | 198 Ų | 198 | 132.6 Ų | 132.6 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -128.4 | 127 | 157.4 | -86.4 | -80.3 | 0 | 0 | 0 | 109.9 | ||||
| 46 | G | 25.8 | Very low | 25.7 | Very low | 58 Ų | 58 | 131.5 Ų | 131.5 | 60% | 0.598 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 168.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 47 | P | 26.2 | Very low | 26 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 133.9 | -170.7 | 33 | -30.7 | 0 | 0 | 0 | 113 | ||
| 48 | F | 24.8 | Very low | 26.3 | Very low | 200 Ų | 200 | 138.8 Ų | 138.8 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 143.1 | 165.1 | -80.4 | -87.5 | 0 | 0 | 0 | 111 | ||
| 49 | P | 26.2 | Very low | 26.5 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82 | 118.5 | -179.9 | 30.4 | -29.9 | 0 | 0 | 0 | 111.4 | ||
| 50 | S | 25.6 | Very low | 26.6 | Very low | 117 Ų | 117 | 134.9 Ų | 134.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 122.9 | 168.5 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | ||
| 51 | T | 24.6 | Very low | 26.8 | Very low | 137 Ų | 137 | 133.3 Ų | 133.3 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 131.5 | 174.8 | 38.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 52 | R | 28.1 | Very low | 27 | Very low | 240 Ų | 240 | 133 Ų | 133 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 133 | 177.4 | -166 | -176 | -159 | -173.3 | 5.7 | 110.3 | ||
| 53 | P | 30.8 | Very low | 27.5 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 159 | 169.4 | -11.6 | 26.7 | 0 | 0 | 0 | 112.1 | ||
| 54 | P | 30.3 | Very low | 28.1 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 133.8 | -172.1 | -13.7 | 28 | 0 | 0 | 0 | 112 | ||
| 55 | G | 28 | Very low | 28.5 | Very low | 74 Ų | 74 | 127.6 Ų | 127.6 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 137.4 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 56 | T | 30.5 | Very low | 29 | Very low | 133 Ų | 133 | 124.5 Ų | 124.5 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 146.6 | 160.4 | 14.3 | 0 | 0 | 0 | 0 | 110.6 | R58 | T56-R58 PolarHBondContact O-N 3.28Š|
| 57 | P | 28.6 | Very low | 30 | Very low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 130.3 | -177.4 | -16.3 | 29.3 | 0 | 0 | 0 | 111 | A59 | P57-A59 PolarHBondContact O-N 3.42Š|
| 58 | R | 28.8 | Very low | 30.8 | Very low | 248 Ų | 248 | 122.2 Ų | 122.2 | 94% | 0.936 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 124 | 175.8 | -155.7 | 178.3 | -162.7 | -164.6 | 2.5 | 108.9 | T56 | T56-R58 PolarHBondContact O-N 3.28Š|
| 59 | A | 29.1 | Very low | 31.8 | Very low | 79 Ų | 79 | 118.3 Ų | 118.3 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 151.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | P57 G61 | P57-A59 PolarHBondContact O-N 3.42Å; A59-G61 PolarHBondContact O-N 2.99Å |
| 60 | P | 27.8 | Very low | 33 | Very low | 129 Ų | 129 | 114.8 Ų | 114.8 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 126.3 | -178.6 | -14 | 27.8 | 0 | 0 | 0 | 109.9 | S62 | P60-S62 PolarHBondContact O-N 3Š|
| 61 | G | 25.8 | Very low | 34.5 | Very low | 74 Ų | 74 | 112 Ų | 112 | 76% | 0.763 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 130.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111 | A59 S63 | A59-G61 PolarHBondContact O-N 2.99Å; G61-S63 PolarHBondContact O-N 3.08Å |
| 62 | S | 28.9 | Very low | 36.1 | Very low | 104 Ų | 104 | 110.1 Ų | 110.1 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 125.4 | 165.8 | 50.5 | 0 | 0 | 0 | 0 | 109.4 | P60 S64 | P60-S62 PolarHBondContact O-N 3Å; S62-S64 PolarHBondContact O-N 2.95Å |
| 63 | S | 33.3 | Very low | 37.9 | Very low | 113 Ų | 113 | 102.9 Ų | 102.9 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | trans | -86.1 | 33.3 | 178.5 | 74.4 | 0 | 0 | 0 | 0 | 113.3 | G61 G65 | G61-S63 PolarHBondContact O-N 3.08Å; S63-G65 PolarHBondContact O-N 3.06Å | ||
| 64 | S | 37 | Very low | 39.7 | Very low | 93 Ų | 93 | 98.5 Ų | 98.5 | 65% | 0.65 | 64% | 0.638 | S | S | * | * | trans | -74.6 | 108.4 | 163.5 | 57.1 | 0 | 0 | 0 | 0 | 107.3 | S62 | S62-S64 PolarHBondContact O-N 2.95Š| ||
| 65 | G | 33.8 | Very low | 41.6 | Very low | 60 Ų | 60 | 94 Ų | 94 | 62% | 0.619 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 155.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | S63 R67 | S63-G65 PolarHBondContact O-N 3.06Å; G65-R67 PolarHBondContact O-N 2.87Å |
| 66 | P | 35.8 | Very low | 43.8 | Very low | 133 Ų | 133 | 93.6 Ų | 93.6 | 86% | 0.864 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -58 | 117.5 | 176.1 | -15.3 | 27.8 | 0 | 0 | 0 | 108.7 | ||
| 67 | R | 46.9 | Very low | 46 | Very low | 68 Ų | 68 | 88 Ų | 88 | 26% | 0.257 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -46.4 | 143.3 | 170.3 | -170.9 | 176.1 | -178.2 | 170.1 | -5 | 108.8 | G65 T69 Y521 K530 | G65-R67 PolarHBondContact O-N 2.87Å; R67-T69 PolarHBondContact O-N 3.2Å; R67-Y521 WeakPolarHBondContact CD-OH 3.49Å; R67-Y521 PolarHBondContact NE-OH 3.4Å; R67-K530 VanDerWaalsContact NH2-CD 3.3Å |
| 68 | P | 42 | Very low | 48.6 | Very low | 75 Ų | 75 | 82.6 Ų | 82.6 | 49% | 0.487 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -49.2 | 120.3 | 176.9 | 11.9 | -25.6 | 0 | 0 | 0 | 109.9 | Y521 | P68-Y521 PolarHBondContact O-OH 2.95Š|
| 69 | T | 46.5 | Very low | 51 | Low | 118 Ų | 118 | 74.2 Ų | 74.2 | 72% | 0.724 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 129.4 | 176.6 | 40.3 | 0 | 0 | 0 | 0 | 107.6 | R67 V71 | R67-T69 PolarHBondContact O-N 3.2Å; T69-V71 PolarHBondContact O-N 3.23Å; T69-V71 VanDerWaalsContact O-N 3.12Å |
| 70 | P | 50.9 | Low | 53.6 | Low | 54 Ų | 54 | 71.4 Ų | 71.4 | 35% | 0.351 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -52 | 126.5 | 174.5 | -16.7 | 25.2 | 0 | 0 | 0 | 108.4 | T72 Y521 | P70-T72 HydrophobicContact CB-CG2 4.23Å; P70-T72 PolarHBondContact O-N 3.15Å; P70-Y521 HydrophobicContact CG-CE1 4.43Å |
| 71 | V | 56.3 | Low | 56.4 | Low | 57 Ų | 57 | 66.3 Ų | 66.3 | 35% | 0.345 | 45% | 0.449 | S | S | . | . | trans | -71.2 | 101.1 | 174.6 | -174.3 | 0 | 0 | 0 | 0 | 106.7 | T69 A76 L77 | T69-V71 PolarHBondContact O-N 3.23Å; T69-V71 VanDerWaalsContact O-N 3.12Å; V71-A76 HydrophobicContact CG1-CB 3.77Å; V71-L77 HydrophobicContact CB-CD2 3.71Å; V71-L77 HydrophobicContact CG1-CD2 3.51Å; V71-L77 HydrophobicContact CG1-CG 3.99Å | ||
| 72 | T | 58 | Low | 59.1 | Low | 98 Ų | 98 | 64.6 Ų | 64.6 | 60% | 0.601 | 42% | 0.422 | S | S | * | . | trans | -100.1 | -11.9 | 179.9 | 56.6 | 0 | 0 | 0 | 0 | 112.7 | P70 V74 | P70-T72 HydrophobicContact CB-CG2 4.23Å; P70-T72 PolarHBondContact O-N 3.15Å; T72-V74 PolarHBondContact O-N 3.24Å | ||
| 73 | D | 66.7 | Low | 61.6 | Low | 89 Ų | 89 | 60.4 Ų | 60.4 | 48% | 0.476 | 39% | 0.393 | S | S | . | . | trans | -80.9 | 116.7 | 177.9 | -170.7 | -3.4 | 0 | 0 | 0 | 110.2 | A75 A76 L77 | D73-A75 PolarHBondContact O-N 2.64Å; D73-A75 VanDerWaalsContact O-N 3.15Å; D73-A75 PolarHBondContact OD1-N 2.96Å; D73-A76 HydrophobicContact CB-CB 4.18Å; D73-A76 PolarHBondContact O-N 2.91Å; D73-L77 WeakPolarHBondContact O-CG 3.36Å; D73-L77 PolarHBondContact O-N 3.37Å | ||
| 74 | V | 69.6 | Low | 63.5 | Low | 13 Ų | 13 | 58.2 Ų | 58.2 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -55.4 | -29.8 | 177.4 | -174.1 | 0 | 0 | 0 | 0 | 111.5 | T72 V113 V125 | T72-V74 PolarHBondContact O-N 3.24Å; V74-V113 HydrophobicContact CG1-CB 3.88Å; V74-V113 HydrophobicContact CG1-CG1 3.68Å; V74-V113 WeakPolarHBondContact CG1-O 3.44Å; V74-V125 HydrophobicContact CB-CG2 4.3Å; V74-V125 HydrophobicContact CG1-CB 4.27Å; V74-V125 HydrophobicContact CG1-CG2 3.78Å |
| 75 | A | 70 | Confident | 65.3 | Low | 36 Ų | 36 | 57.9 Ų | 57.9 | 30% | 0.298 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -75.3 | -21.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | D73 V125 F140 | D73-A75 PolarHBondContact O-N 2.64Å; D73-A75 VanDerWaalsContact O-N 3.15Å; D73-A75 PolarHBondContact OD1-N 2.96Å; A75-V125 HydrophobicContact CB-CG2 4.31Å; A75-F140 HydrophobicContact CB-CZ 4.29Å |
| 76 | A | 73.6 | Confident | 67.6 | Low | 65 Ų | 65 | 59.5 Ų | 59.5 | 54% | 0.537 | 37% | 0.37 | S | S | . | . | G | 310 helix | trans | -98.8 | -1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V71 D73 | V71-A76 HydrophobicContact CG1-CB 3.77Å; D73-A76 HydrophobicContact CB-CB 4.18Å; D73-A76 PolarHBondContact O-N 2.91Å |
| 77 | L | 77.3 | Confident | 69.9 | Low | 16 Ų | 16 | 54.7 Ų | 54.7 | 8% | 0.084 | 34% | 0.339 | C | S | . | . | trans | -90.2 | 121.1 | -179.4 | -71.9 | 177.6 | 0 | 0 | 0 | 111.5 | V71 D73 V113 N526 | V71-L77 HydrophobicContact CB-CD2 3.71Å; V71-L77 HydrophobicContact CG1-CD2 3.51Å; V71-L77 HydrophobicContact CG1-CG 3.99Å; D73-L77 WeakPolarHBondContact O-CG 3.36Å; D73-L77 PolarHBondContact O-N 3.37Å; L77-V113 HydrophobicContact CB-CG1 4.13Å; L77-N526 HydrophobicContact CD1-CB 3.95Å; L77-N526 WeakPolarHBondContact CD2-ND2 3.12Å | ||
| 78 | C | 81.5 | Confident | 71.6 | Confident | 13 Ų | 13 | 52.6 Ų | 52.6 | 9% | 0.088 | 33% | 0.333 | C | S | . | . | trans | -139.6 | 89.2 | 174.4 | -167.8 | 0 | 0 | 0 | 0 | 111.9 | C80 D81 C91 C93 D94 | C78-C80 PolarHBondContact O-N 3.41Å; C78-D81 HydrophobicContact CB-CB 4.1Å; C78-D81 PolarHBondContact O-N 2.89Å; C78-C91 PolarHBondContact SG-SG 3.35Å; C78-C93 WeakPolarHBondContact CA-SG 3.44Å; C78-C93 HydrophobicContact CB-CB 3.7Å; C78-C93 WeakPolarHBondContact CB-SG 3.41Å; C78-C93 WeakPolarHBondContact SG-CB 3.43Å; C78-C93 PolarHBondContact SG-O 2.61Å; C78-C93 CovalentContact SG-SG 2.04Å; C78-C93 PolarHBondContact SG-SG 2.89Å; C78-D94 PolarHBondContact SG-N 3.01Å; C78-D94 VanDerWaalsContact SG-N 3.4Å | ||
| 79 | V | 80.4 | Confident | 73.6 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -13.6 | -176.2 | -61.4 | 0 | 0 | 0 | 0 | 114.1 | V110 | V79-V110 HydrophobicContact CG2-CG2 3.76Š|
| 80 | C | 83.2 | Confident | 75.4 | Confident | 20 Ų | 20 | 49.4 Ų | 49.4 | 14% | 0.135 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -4.2 | 179.5 | 59.5 | 0 | 0 | 0 | 0 | 114 | C78 L82 D88 C91 C93 V110 | C78-C80 PolarHBondContact O-N 3.41Å; C80-L82 PolarHBondContact O-N 2.75Å; C80-L82 VanDerWaalsContact O-N 3.14Å; C80-D88 WeakPolarHBondContact O-CB 3.35Å; C80-C91 VanDerWaalsContact CA-SG 3.54Å; C80-C91 HydrophobicContact CB-CB 3.78Å; C80-C91 WeakPolarHBondContact CB-SG 3.29Å; C80-C91 PolarHBondContact O-SG 3.09Å; C80-C91 VanDerWaalsContact O-SG 3.38Å; C80-C91 WeakPolarHBondContact SG-CA 3.36Å; C80-C91 WeakPolarHBondContact SG-CB 3.49Å; C80-C91 CovalentContact SG-SG 2.04Å; C80-C91 PolarHBondContact SG-SG 2.86Å; C80-C93 PolarHBondContact SG-SG 2.83Å; C80-V110 HydrophobicContact CB-CG2 3.97Å |
| 81 | D | 86 | Confident | 77.2 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | trans | -79.2 | 88.7 | 170.1 | 167.1 | 17.4 | 0 | 0 | 0 | 107.7 | C78 D88 C91 N379 | C78-D81 HydrophobicContact CB-CB 4.1Å; C78-D81 PolarHBondContact O-N 2.89Å; D81-D88 WeakPolarHBondContact CA-OD2 3.45Å; D81-C91 PolarHBondContact N-SG 3.44Å; D81-C91 VanDerWaalsContact N-SG 3.37Å; D81-N379 WeakPolarHBondContact O-CB 3.49Å; D81-N379 PolarHBondContact O-ND2 2.85Å; D81-N379 PolarHBondContact OD2-ND2 2.86Å | ||
| 82 | L | 83.4 | Confident | 78.7 | Confident | 38 Ų | 38 | 44.2 Ų | 44.2 | 20% | 0.199 | 28% | 0.278 | C | S | . | . | trans | -108.9 | -12 | -177.7 | -58.3 | -178.6 | 0 | 0 | 0 | 111.6 | C80 D88 P375 L376 N379 L386 | C80-L82 PolarHBondContact O-N 2.75Å; C80-L82 VanDerWaalsContact O-N 3.14Å; L82-D88 WeakPolarHBondContact CA-OD2 3.43Å; L82-D88 PolarHBondContact N-OD2 3.38Å; L82-P375 CarbonylContact O-C 3.57Å; L82-P375 WeakPolarHBondContact O-CA 3.36Å; L82-L376 WeakPolarHBondContact O-CB 3.33Å; L82-L376 VanDerWaalsContact O-CG 3.25Å; L82-L376 WeakPolarHBondContact O-CG 2.98Å; L82-L376 PolarHBondContact O-N 2.83Å; L82-N379 HydrophobicContact CD2-CB 4.5Å; L82-L386 HydrophobicContact CD1-CD1 4.3Å | ||
| 83 | S | 81.1 | Confident | 80.1 | Confident | 16 Ų | 16 | 40 Ų | 40 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -106.4 | 115 | -176.1 | -66.8 | 0 | 0 | 0 | 0 | 110.8 | A85 Q86 D88 | S83-A85 PolarHBondContact O-N 3.37Å; S83-A85 VanDerWaalsContact O-N 3.16Å; S83-Q86 WeakPolarHBondContact CB-O 3.39Å; S83-Q86 PolarHBondContact O-N 3Å; S83-Q86 VanDerWaalsContact O-O 3.08Å; S83-D88 VanDerWaalsContact CB-OD1 3.29Å; S83-D88 WeakPolarHBondContact CB-OD1 3.44Å; S83-D88 WeakPolarHBondContact CB-OD2 3.46Å; S83-D88 PolarHBondContact N-OD2 2.79Å; S83-D88 PolarHBondContact OG-OD1 2.88Å |
| 84 | P | 74 | Confident | 81.2 | Confident | 66 Ų | 66 | 35.8 Ų | 35.8 | 43% | 0.429 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 122 | -176.3 | -22 | 32.2 | 0 | 0 | 0 | 112.6 | Q86 L376 | P84-Q86 PolarHBondContact O-N 3.07Å; P84-L376 HydrophobicContact CG-CD2 4.01Å; P84-L376 HydrophobicContact CG-CG 4.18Å |
| 85 | A | 74.8 | Confident | 82 | Confident | 86 Ų | 86 | 39.4 Ų | 39.4 | 71% | 0.711 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 28.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S83 D96 | S83-A85 PolarHBondContact O-N 3.37Å; S83-A85 VanDerWaalsContact O-N 3.16Å; A85-D96 WeakPolarHBondContact CA-OD2 3.33Å; A85-D96 PolarHBondContact N-OD2 3.47Å |
| 86 | Q | 80.7 | Confident | 82.9 | Confident | 94 Ų | 94 | 41.3 Ų | 41.3 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -145.1 | 139.8 | -178.4 | -65.8 | -164.4 | 31.2 | 0 | 0 | 111.2 | S83 P84 D88 D96 | S83-Q86 WeakPolarHBondContact CB-O 3.39Å; S83-Q86 PolarHBondContact O-N 3Å; S83-Q86 VanDerWaalsContact O-O 3.08Å; P84-Q86 PolarHBondContact O-N 3.07Å; Q86-D88 PolarHBondContact O-N 2.9Å; Q86-D96 PolarHBondContact N-OD2 3.03Å |
| 87 | C | 84.2 | Confident | 83.5 | Confident | 32 Ų | 32 | 38.8 Ų | 38.8 | 22% | 0.216 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 120.2 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 112.9 | D94 C97 D101 F105 | C87-D94 WeakPolarHBondContact CA-OD2 3.42Å; C87-C97 WeakPolarHBondContact CA-SG 3.33Å; C87-C97 HydrophobicContact CB-CB 3.87Å; C87-C97 WeakPolarHBondContact CB-SG 3.01Å; C87-C97 WeakPolarHBondContact SG-CA 3.43Å; C87-C97 WeakPolarHBondContact SG-CB 3.29Å; C87-C97 CovalentContact SG-SG 2.03Å; C87-C97 PolarHBondContact SG-SG 3.38Å; C87-D101 HydrophobicContact CB-CB 4.26Å; C87-D101 WeakPolarHBondContact SG-CB 3.31Å; C87-F105 VanDerWaalsContact SG-CZ 3.51Å |
| 88 | D | 83.2 | Confident | 84 | Confident | 25 Ų | 25 | 40.4 Ų | 40.4 | 13% | 0.134 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -81.4 | 125.6 | 169.2 | -75.9 | -62.7 | 0 | 0 | 0 | 111.7 | C80 D81 L82 S83 Q86 N90 C91 D94 F105 | C80-D88 WeakPolarHBondContact O-CB 3.35Å; D81-D88 WeakPolarHBondContact CA-OD2 3.45Å; L82-D88 WeakPolarHBondContact CA-OD2 3.43Å; L82-D88 PolarHBondContact N-OD2 3.38Å; S83-D88 VanDerWaalsContact CB-OD1 3.29Å; S83-D88 WeakPolarHBondContact CB-OD1 3.44Å; S83-D88 WeakPolarHBondContact CB-OD2 3.46Å; S83-D88 PolarHBondContact N-OD2 2.79Å; S83-D88 PolarHBondContact OG-OD1 2.88Å; Q86-D88 PolarHBondContact O-N 2.9Å; D88-N90 PolarHBondContact O-N 2.79Å; D88-C91 HydrophobicContact CB-CB 3.67Å; D88-C91 VanDerWaalsContact O-CB 3.27Å; D88-C91 WeakPolarHBondContact O-CB 3.45Å; D88-C91 PolarHBondContact O-N 2.83Å; D88-D94 PolarHBondContact N-OD2 2.77Å; D88-F105 WeakPolarHBondContact O-CZ 3.48Å |
| 89 | V | 83.4 | Confident | 84 | Confident | 92 Ų | 92 | 42 Ų | 42 | 56% | 0.558 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | 131.5 | -176.8 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | C91 F105 | V89-C91 PolarHBondContact O-N 3.27Å; V89-F105 HydrophobicContact CB-CE1 4.37Å; V89-F105 HydrophobicContact CG1-CD1 4.18Å; V89-F105 HydrophobicContact CG1-CE1 4.32Å |
| 90 | N | 84.4 | Confident | 84.2 | Confident | 34 Ų | 34 | 43.4 Ų | 43.4 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | 5.5 | -175.2 | -56.7 | -43.8 | 0 | 0 | 0 | 114.6 | D88 C92 F105 S106 A107 C108 S109 | D88-N90 PolarHBondContact O-N 2.79Å; N90-C92 PolarHBondContact O-N 2.81Å; N90-F105 VanDerWaalsContact CA-CD2 3.47Å; N90-F105 VanDerWaalsContact N-CE2 3.35Å; N90-F105 VanDerWaalsContact N-CZ 3.27Å; N90-F105 WeakPolarHBondContact OD1-CA 3.02Å; N90-S106 PolarHBondContact OD1-N 2.73Å; N90-S106 PolarHBondContact OD1-OG 2.98Å; N90-A107 WeakPolarHBondContact CA-O 3.5Å; N90-A107 WeakPolarHBondContact CB-O 3.44Å; N90-A107 PolarHBondContact OD1-N 3.32Å; N90-A107 PolarHBondContact OD1-O 3.34Å; N90-C108 CarbonylContact O-C 3.45Å; N90-C108 WeakPolarHBondContact O-CA 3.27Å; N90-S109 WeakPolarHBondContact CB-OG 3.4Å; N90-S109 PolarHBondContact O-N 3.19Å; N90-S109 PolarHBondContact O-OG 2.86Å |
| 91 | C | 88.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | trans | -86.9 | 89.2 | 176 | -169.9 | 0 | 0 | 0 | 0 | 111.5 | C78 C80 D81 D88 V89 C93 D94 | C78-C91 PolarHBondContact SG-SG 3.35Å; C80-C91 VanDerWaalsContact CA-SG 3.54Å; C80-C91 HydrophobicContact CB-CB 3.78Å; C80-C91 WeakPolarHBondContact CB-SG 3.29Å; C80-C91 PolarHBondContact O-SG 3.09Å; C80-C91 VanDerWaalsContact O-SG 3.38Å; C80-C91 WeakPolarHBondContact SG-CA 3.36Å; C80-C91 WeakPolarHBondContact SG-CB 3.49Å; C80-C91 CovalentContact SG-SG 2.04Å; C80-C91 PolarHBondContact SG-SG 2.86Å; D81-C91 PolarHBondContact N-SG 3.44Å; D81-C91 VanDerWaalsContact N-SG 3.37Å; D88-C91 HydrophobicContact CB-CB 3.67Å; D88-C91 VanDerWaalsContact O-CB 3.27Å; D88-C91 WeakPolarHBondContact O-CB 3.45Å; D88-C91 PolarHBondContact O-N 2.83Å; V89-C91 PolarHBondContact O-N 3.27Å; C91-C93 VanDerWaalsContact C-N 3.27Å; C91-C93 PolarHBondContact O-N 3.03Å; C91-C93 VanDerWaalsContact SG-SG 3.67Å; C91-D94 HydrophobicContact CB-CB 3.97Å; C91-D94 WeakPolarHBondContact O-CB 3.42Å; C91-D94 PolarHBondContact O-N 3.39Å; C91-D94 VanDerWaalsContact O-N 3.17Å | ||
| 92 | C | 88.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -18.9 | -174 | -64.1 | 0 | 0 | 0 | 0 | 114.8 | N90 D94 C108 Y127 R138 | N90-C92 PolarHBondContact O-N 2.81Å; C92-D94 VanDerWaalsContact C-N 3.32Å; C92-C108 HydrophobicContact CB-CB 3.79Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 WeakPolarHBondContact SG-CA 3.43Å; C92-C108 WeakPolarHBondContact SG-CB 3.33Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 3.48Å; C92-Y127 HydrophobicContact CB-CD1 4.28Å; C92-Y127 HydrophobicContact CB-CG 4.22Å; C92-Y127 WeakPolarHBondContact O-CD1 3.48Å; C92-R138 WeakPolarHBondContact O-CD 3.49Å |
| 93 | C | 87.9 | Confident | 83.9 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -7.2 | 175.1 | 57.5 | 0 | 0 | 0 | 0 | 113.5 | C78 C80 C91 Y127 | C78-C93 WeakPolarHBondContact CA-SG 3.44Å; C78-C93 HydrophobicContact CB-CB 3.7Å; C78-C93 WeakPolarHBondContact CB-SG 3.41Å; C78-C93 WeakPolarHBondContact SG-CB 3.43Å; C78-C93 PolarHBondContact SG-O 2.61Å; C78-C93 CovalentContact SG-SG 2.04Å; C78-C93 PolarHBondContact SG-SG 2.89Å; C80-C93 PolarHBondContact SG-SG 2.83Å; C91-C93 VanDerWaalsContact C-N 3.27Å; C91-C93 PolarHBondContact O-N 3.03Å; C91-C93 VanDerWaalsContact SG-SG 3.67Å; C93-Y127 HydrophobicContact CB-CD1 4.31Å; C93-Y127 HydrophobicContact CB-CD2 4.09Å; C93-Y127 HydrophobicContact CB-CE1 3.76Å; C93-Y127 HydrophobicContact CB-CE2 3.52Å; C93-Y127 HydrophobicContact CB-CG 4.46Å |
| 94 | D | 88.6 | Confident | 84 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | -65.1 | 123.9 | -177.4 | -173.4 | -25.3 | 0 | 0 | 0 | 110.3 | C78 C87 D88 C91 C92 D96 C97 R138 | C78-D94 PolarHBondContact SG-N 3.01Å; C78-D94 VanDerWaalsContact SG-N 3.4Å; C87-D94 WeakPolarHBondContact CA-OD2 3.42Å; D88-D94 PolarHBondContact N-OD2 2.77Å; C91-D94 HydrophobicContact CB-CB 3.97Å; C91-D94 WeakPolarHBondContact O-CB 3.42Å; C91-D94 PolarHBondContact O-N 3.39Å; C91-D94 VanDerWaalsContact O-N 3.17Å; C92-D94 VanDerWaalsContact C-N 3.32Å; D94-D96 VanDerWaalsContact C-N 3.3Å; D94-D96 WeakPolarHBondContact OD1-CA 3.46Å; D94-D96 WeakPolarHBondContact OD1-CB 3.46Å; D94-D96 PolarHBondContact OD1-N 3.06Å; D94-C97 HydrophobicContact CB-CB 4.44Å; D94-R138 PolarHBondContact O-NH1 2.03Å | ||
| 95 | P | 86.9 | Confident | 84.5 | Confident | 90 Ų | 90 | 47.7 Ų | 47.7 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -72.7 | -20.7 | 178.6 | 31.2 | -35.5 | 0 | 0 | 0 | 113.7 | ||
| 96 | D | 87.8 | Confident | 84.8 | Confident | 75 Ų | 75 | 48.1 Ų | 48.1 | 40% | 0.401 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -85.3 | -12.5 | -176.3 | -64.8 | -41.8 | 0 | 0 | 0 | 112.7 | A85 Q86 D94 | A85-D96 WeakPolarHBondContact CA-OD2 3.33Å; A85-D96 PolarHBondContact N-OD2 3.47Å; Q86-D96 PolarHBondContact N-OD2 3.03Å; D94-D96 VanDerWaalsContact C-N 3.3Å; D94-D96 WeakPolarHBondContact OD1-CA 3.46Å; D94-D96 WeakPolarHBondContact OD1-CB 3.46Å; D94-D96 PolarHBondContact OD1-N 3.06Å |
| 97 | C | 87.3 | Confident | 84.9 | Confident | 12 Ų | 12 | 46.1 Ų | 46.1 | 8% | 0.081 | 29% | 0.292 | C | S | . | . | trans | -76.3 | 127.8 | 176.4 | -66.9 | 0 | 0 | 0 | 0 | 113.8 | C87 D94 F102 | C87-C97 WeakPolarHBondContact CA-SG 3.33Å; C87-C97 HydrophobicContact CB-CB 3.87Å; C87-C97 WeakPolarHBondContact CB-SG 3.01Å; C87-C97 WeakPolarHBondContact SG-CA 3.43Å; C87-C97 WeakPolarHBondContact SG-CB 3.29Å; C87-C97 CovalentContact SG-SG 2.03Å; C87-C97 PolarHBondContact SG-SG 3.38Å; D94-C97 HydrophobicContact CB-CB 4.44Å; C97-F102 HydrophobicContact CB-CD1 4.3Å; C97-F102 HydrophobicContact CB-CE1 3.44Å; C97-F102 VanDerWaalsContact CB-CE1 3.44Å; C97-F102 HydrophobicContact CB-CZ 3.84Å; C97-F102 WeakPolarHBondContact O-CZ 3.49Å | ||
| 98 | S | 87.2 | Confident | 84.8 | Confident | 51 Ų | 51 | 45.7 Ų | 45.7 | 36% | 0.357 | 29% | 0.289 | S | S | . | . | trans | -98.9 | 173.2 | 175.9 | 78.3 | 0 | 0 | 0 | 0 | 112.8 | V100 D101 F102 | S98-V100 PolarHBondContact O-N 3.35Å; S98-V100 PolarHBondContact OG-N 3.46Å; S98-D101 WeakPolarHBondContact CA-OD2 3.35Å; S98-D101 VanDerWaalsContact CB-OD2 3.31Å; S98-D101 WeakPolarHBondContact CB-OD2 3.38Å; S98-D101 PolarHBondContact N-OD2 2.85Å; S98-D101 PolarHBondContact O-N 3.34Å; S98-D101 VanDerWaalsContact O-N 3.1Å; S98-D101 PolarHBondContact OG-OD2 2.72Å; S98-F102 VanDerWaalsContact O-CD2 3.29Å; S98-F102 WeakPolarHBondContact O-CD2 3.49Å; S98-F102 WeakPolarHBondContact O-CG 3.34Å; S98-F102 PolarHBondContact O-N 3.19Å; S98-F102 VanDerWaalsContact O-N 3.14Å | ||
| 99 | S | 83.1 | Confident | 84.7 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 32% | 0.315 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23.4 | 174.1 | 59.3 | 0 | 0 | 0 | 0 | 114.1 | S103 P136 | S99-S103 PolarHBondContact O-OG 3.38Å; S99-P136 WeakPolarHBondContact CB-O 3.45Å |
| 100 | V | 83.6 | Confident | 84.6 | Confident | 102 Ų | 102 | 45.1 Ų | 45.1 | 62% | 0.618 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -43.4 | 174.3 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | S98 F102 S103 | S98-V100 PolarHBondContact O-N 3.35Å; S98-V100 PolarHBondContact OG-N 3.46Å; V100-F102 PolarHBondContact O-N 2.96Å; V100-S103 VanDerWaalsContact O-CB 3.24Å; V100-S103 WeakPolarHBondContact O-CB 3.25Å; V100-S103 PolarHBondContact O-N 2.99Å; V100-S103 VanDerWaalsContact O-N 3.16Å; V100-S103 PolarHBondContact O-OG 3.48Å |
| 101 | D | 83.3 | Confident | 84.2 | Confident | 54 Ų | 54 | 46.7 Ų | 46.7 | 29% | 0.289 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -68.3 | -35.4 | -178.1 | -51.3 | -58 | 0 | 0 | 0 | 112.1 | C87 S98 S103 V104 F105 | C87-D101 HydrophobicContact CB-CB 4.26Å; C87-D101 WeakPolarHBondContact SG-CB 3.31Å; S98-D101 WeakPolarHBondContact CA-OD2 3.35Å; S98-D101 VanDerWaalsContact CB-OD2 3.31Å; S98-D101 WeakPolarHBondContact CB-OD2 3.38Å; S98-D101 PolarHBondContact N-OD2 2.85Å; S98-D101 PolarHBondContact O-N 3.34Å; S98-D101 VanDerWaalsContact O-N 3.1Å; S98-D101 PolarHBondContact OG-OD2 2.72Å; D101-S103 PolarHBondContact O-N 3.3Å; D101-V104 WeakPolarHBondContact O-CG2 3.35Å; D101-V104 PolarHBondContact O-N 3.22Å; D101-V104 VanDerWaalsContact O-N 3.07Å; D101-F105 WeakPolarHBondContact O-CD1 3.42Å; D101-F105 WeakPolarHBondContact O-CE1 2.92Å |
| 102 | F | 83.6 | Confident | 83.8 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -60.2 | -18 | 175 | -60.2 | -34 | 0 | 0 | 0 | 113.9 | C97 S98 V100 V104 F105 L129 P136 R138 | C97-F102 HydrophobicContact CB-CD1 4.3Å; C97-F102 HydrophobicContact CB-CE1 3.44Å; C97-F102 VanDerWaalsContact CB-CE1 3.44Å; C97-F102 HydrophobicContact CB-CZ 3.84Å; C97-F102 WeakPolarHBondContact O-CZ 3.49Å; S98-F102 VanDerWaalsContact O-CD2 3.29Å; S98-F102 WeakPolarHBondContact O-CD2 3.49Å; S98-F102 WeakPolarHBondContact O-CG 3.34Å; S98-F102 PolarHBondContact O-N 3.19Å; S98-F102 VanDerWaalsContact O-N 3.14Å; V100-F102 PolarHBondContact O-N 2.96Å; F102-V104 VanDerWaalsContact C-N 3.27Å; F102-V104 PolarHBondContact O-N 2.99Å; F102-F105 AromaticContact CD1-CD2 3.93Å; F102-F105 HydrophobicContact CD1-CD2 3.93Å; F102-F105 AromaticContact CD1-CE2 3.78Å; F102-F105 HydrophobicContact CD1-CE2 3.78Å; F102-F105 HydrophobicContact CD1-CZ 4.28Å; F102-F105 HydrophobicContact CE1-CE2 4.1Å; F102-F105 PolarHBondContact O-N 2.92Å; F102-L129 HydrophobicContact CB-CD2 4.06Å; F102-L129 HydrophobicContact CD1-CD2 3.76Å; F102-L129 HydrophobicContact CD2-CD2 4.49Å; F102-L129 HydrophobicContact CE1-CD2 4.39Å; F102-L129 HydrophobicContact CG-CD2 3.85Å; F102-P136 HydrophobicContact CB-CB 4.01Å; F102-R138 HydrophobicContact CD2-CB 4.32Å; F102-R138 HydrophobicContact CE1-CB 4.43Å; F102-R138 HydrophobicContact CE2-CB 3.62Å; F102-R138 HydrophobicContact CZ-CB 3.7Å |
| 103 | S | 79.2 | Confident | 83.2 | Confident | 68 Ų | 68 | 50.9 Ų | 50.9 | 48% | 0.476 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -70.4 | -22.6 | 177.2 | -52.8 | 0 | 0 | 0 | 0 | 113.4 | S99 V100 D101 P136 | S99-S103 PolarHBondContact O-OG 3.38Å; V100-S103 VanDerWaalsContact O-CB 3.24Å; V100-S103 WeakPolarHBondContact O-CB 3.25Å; V100-S103 PolarHBondContact O-N 2.99Å; V100-S103 VanDerWaalsContact O-N 3.16Å; V100-S103 PolarHBondContact O-OG 3.48Å; D101-S103 PolarHBondContact O-N 3.3Å; S103-P136 WeakPolarHBondContact OG-CD 3.19Å |
| 104 | V | 82.7 | Confident | 82.5 | Confident | 109 Ų | 109 | 53.4 Ų | 53.4 | 66% | 0.661 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -97.3 | -0.3 | 177.3 | -61.4 | 0 | 0 | 0 | 0 | 112.8 | D101 F102 | D101-V104 WeakPolarHBondContact O-CG2 3.35Å; D101-V104 PolarHBondContact O-N 3.22Å; D101-V104 VanDerWaalsContact O-N 3.07Å; F102-V104 VanDerWaalsContact C-N 3.27Å; F102-V104 PolarHBondContact O-N 2.99Å |
| 105 | F | 84.4 | Confident | 81.5 | Confident | 11 Ų | 11 | 54 Ų | 54 | 5% | 0.048 | 35% | 0.349 | C | S | . | . | trans | -80.7 | 144 | -179.7 | -73.5 | 20.5 | 0 | 0 | 0 | 110 | C87 D88 V89 N90 D101 F102 L129 F131 | C87-F105 VanDerWaalsContact SG-CZ 3.51Å; D88-F105 WeakPolarHBondContact O-CZ 3.48Å; V89-F105 HydrophobicContact CB-CE1 4.37Å; V89-F105 HydrophobicContact CG1-CD1 4.18Å; V89-F105 HydrophobicContact CG1-CE1 4.32Å; N90-F105 VanDerWaalsContact CA-CD2 3.47Å; N90-F105 VanDerWaalsContact N-CE2 3.35Å; N90-F105 VanDerWaalsContact N-CZ 3.27Å; N90-F105 WeakPolarHBondContact OD1-CA 3.02Å; D101-F105 WeakPolarHBondContact O-CD1 3.42Å; D101-F105 WeakPolarHBondContact O-CE1 2.92Å; F102-F105 AromaticContact CD1-CD2 3.93Å; F102-F105 HydrophobicContact CD1-CD2 3.93Å; F102-F105 AromaticContact CD1-CE2 3.78Å; F102-F105 HydrophobicContact CD1-CE2 3.78Å; F102-F105 HydrophobicContact CD1-CZ 4.28Å; F102-F105 HydrophobicContact CE1-CE2 4.1Å; F102-F105 PolarHBondContact O-N 2.92Å; F105-L129 HydrophobicContact CB-CD1 3.55Å; F105-L129 HydrophobicContact CD2-CD1 3.82Å; F105-L129 HydrophobicContact CD2-CD2 4.4Å; F105-L129 HydrophobicContact CG-CD1 4.19Å; F105-F131 VanDerWaalsContact O-CE1 3.31Å; F105-F131 WeakPolarHBondContact O-CE1 3.46Å | ||
| 106 | S | 81.8 | Confident | 80.6 | Confident | 94 Ų | 94 | 50.3 Ų | 50.3 | 66% | 0.657 | 32% | 0.324 | S | S | * | . | trans | -101.8 | -30.9 | 175.3 | 56 | 0 | 0 | 0 | 0 | 112.1 | N90 | N90-S106 PolarHBondContact OD1-N 2.73Å; N90-S106 PolarHBondContact OD1-OG 2.98Å | ||
| 107 | A | 82.1 | Confident | 79.8 | Confident | 52 Ų | 52 | 50.6 Ų | 50.6 | 43% | 0.43 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -162.8 | 178.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | N90 | N90-A107 WeakPolarHBondContact CA-O 3.5Å; N90-A107 WeakPolarHBondContact CB-O 3.44Å; N90-A107 PolarHBondContact OD1-N 3.32Å; N90-A107 PolarHBondContact OD1-O 3.34Å |
| 108 | C | 82.3 | Confident | 79.1 | Confident | 24 Ų | 24 | 55 Ų | 55 | 16% | 0.162 | 35% | 0.352 | C | S | . | . | trans | -95 | 121.3 | 166.5 | -63.5 | 0 | 0 | 0 | 0 | 109.9 | N90 C92 V110 P111 | N90-C108 CarbonylContact O-C 3.45Å; N90-C108 WeakPolarHBondContact O-CA 3.27Å; C92-C108 HydrophobicContact CB-CB 3.79Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 WeakPolarHBondContact SG-CA 3.43Å; C92-C108 WeakPolarHBondContact SG-CB 3.33Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 3.48Å; C108-V110 PolarHBondContact O-N 3.23Å; C108-P111 HydrophobicContact CB-CB 4.41Å | ||
| 109 | S | 82.1 | Confident | 78.7 | Confident | 77 Ų | 77 | 54.2 Ų | 54.2 | 54% | 0.538 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -64 | -32.2 | 175 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | N90 | N90-S109 WeakPolarHBondContact CB-OG 3.4Å; N90-S109 PolarHBondContact O-N 3.19Å; N90-S109 PolarHBondContact O-OG 2.86Å |
| 110 | V | 80.4 | Confident | 78.6 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 16% | 0.164 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -124 | 86.5 | 176 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | V79 C80 C108 V113 | V79-V110 HydrophobicContact CG2-CG2 3.76Å; C80-V110 HydrophobicContact CB-CG2 3.97Å; C108-V110 PolarHBondContact O-N 3.23Å; V110-V113 HydrophobicContact CG1-CG2 3.83Å |
| 111 | P | 76.8 | Confident | 78.5 | Confident | 68 Ų | 68 | 50.9 Ų | 50.9 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | trans | -79.2 | -24.2 | -174.2 | 30 | -34.6 | 0 | 0 | 0 | 113 | C108 I126 Y127 | C108-P111 HydrophobicContact CB-CB 4.41Å; P111-I126 WeakPolarHBondContact O-CA 3.31Å; P111-Y127 PolarHBondContact O-N 3.26Å | ||
| 112 | V | 79.6 | Confident | 78.2 | Confident | 67 Ų | 67 | 49.2 Ų | 49.2 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 132.3 | 180 | -171.9 | 0 | 0 | 0 | 0 | 109.9 | T114 V125 I126 | V112-T114 HydrophobicContact CG1-CG2 3.54Å; V112-V125 CarbonylContact C-O 3.56Å; V112-V125 VanDerWaalsContact CA-O 3.27Å; V112-V125 WeakPolarHBondContact CA-O 3.02Å; V112-I126 HydrophobicContact CG1-CG1 4.4Å; V112-I126 HydrophobicContact CG2-CG1 4.31Å |
| 113 | V | 76.8 | Confident | 78.1 | Confident | 22 Ų | 22 | 54.2 Ų | 54.2 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 120.9 | 168.2 | -169.4 | 0 | 0 | 0 | 0 | 106.8 | V74 L77 V110 A124 V125 Y127 | V74-V113 HydrophobicContact CG1-CB 3.88Å; V74-V113 HydrophobicContact CG1-CG1 3.68Å; V74-V113 WeakPolarHBondContact CG1-O 3.44Å; L77-V113 HydrophobicContact CB-CG1 4.13Å; V110-V113 HydrophobicContact CG1-CG2 3.83Å; V113-A124 CarbonylContact O-C 3.59Å; V113-A124 WeakPolarHBondContact O-CA 3.47Å; V113-V125 HydrophobicContact CB-CB 4.43Å; V113-V125 PolarHBondContact N-O 3.12Å; V113-V125 PolarHBondContact O-N 2.77Å; V113-Y127 HydrophobicContact CG2-CD2 4.43Å; V113-Y127 HydrophobicContact CG2-CE2 4.03Å |
| 114 | T | 72.4 | Confident | 78.2 | Confident | 63 Ų | 63 | 51 Ų | 51 | 39% | 0.387 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 152.5 | -176.9 | 56.8 | 0 | 0 | 0 | 0 | 112.2 | V112 A124 | V112-T114 HydrophobicContact CG1-CG2 3.54Å; T114-A124 HydrophobicContact CG2-CB 3.76Å |
| 115 | G | 67.9 | Low | 78.3 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 13% | 0.134 | 28% | 0.281 | C | S | . | . | trans | -73.5 | -155.5 | 165.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | S117 Q122 K123 | G115-S117 PolarHBondContact O-N 2.95Å; G115-Q122 PolarHBondContact O-OE1 3.3Å; G115-K123 PolarHBondContact N-O 2.81Å | ||
| 116 | D | 69.2 | Low | 78.4 | Confident | 12 Ų | 12 | 48.5 Ų | 48.5 | 6% | 0.064 | 30% | 0.295 | C | S | . | . | trans | -70.5 | 114.9 | -179.7 | -152.1 | -32.7 | 0 | 0 | 0 | 112.5 | Q118 F119 Q122 L525 | D116-Q118 PolarHBondContact O-N 2.97Å; D116-Q118 VanDerWaalsContact OD1-CB 3.28Å; D116-Q118 WeakPolarHBondContact OD1-CB 3.45Å; D116-Q118 VanDerWaalsContact OD1-CG 3.28Å; D116-Q118 WeakPolarHBondContact OD1-CG 3.04Å; D116-Q118 PolarHBondContact OD1-N 2.78Å; D116-F119 HydrophobicContact CB-CD2 3.37Å; D116-F119 HydrophobicContact CB-CE2 3.56Å; D116-F119 HydrophobicContact CB-CG 4.48Å; D116-F119 PolarHBondContact O-N 3.02Å; D116-Q122 PolarHBondContact O-OE1 3.28Å; D116-L525 HydrophobicContact CB-CD1 4.12Å; D116-L525 HydrophobicContact CB-CD2 3.17Å; D116-L525 HydrophobicContact CB-CG 4.25Å; D116-L525 WeakPolarHBondContact OD2-CD2 3.4Å | ||
| 117 | S | 70.3 | Confident | 78.6 | Confident | 80 Ų | 80 | 44.6 Ų | 44.6 | 56% | 0.559 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -17.1 | 173.8 | 63.5 | 0 | 0 | 0 | 0 | 113.6 | G115 S147 | G115-S117 PolarHBondContact O-N 2.95Å; S117-S147 PolarHBondContact O-OG 2.62Å |
| 118 | Q | 73.6 | Confident | 78.8 | Confident | 106 Ų | 106 | 44.5 Ų | 44.5 | 50% | 0.495 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -22.1 | 175.3 | -61.3 | -176.6 | 8.6 | 0 | 0 | 112.8 | D116 C152 I153 | D116-Q118 PolarHBondContact O-N 2.97Å; D116-Q118 VanDerWaalsContact OD1-CB 3.28Å; D116-Q118 WeakPolarHBondContact OD1-CB 3.45Å; D116-Q118 VanDerWaalsContact OD1-CG 3.28Å; D116-Q118 WeakPolarHBondContact OD1-CG 3.04Å; D116-Q118 PolarHBondContact OD1-N 2.78Å; Q118-C152 CarbonylContact O-C 3.57Å; Q118-C152 WeakPolarHBondContact O-CA 3.47Å; Q118-I153 HydrophobicContact CB-CD1 3.91Å; Q118-I153 HydrophobicContact CB-CG1 4.34Å; Q118-I153 PolarHBondContact O-N 2.03Å |
| 119 | F | 77.9 | Confident | 79 | Confident | 33 Ų | 33 | 44.4 Ų | 44.4 | 15% | 0.145 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -77 | 149.1 | 179 | -72.1 | -71.3 | 0 | 0 | 0 | 112.8 | D116 S121 S147 I153 T156 L162 | D116-F119 HydrophobicContact CB-CD2 3.37Å; D116-F119 HydrophobicContact CB-CE2 3.56Å; D116-F119 HydrophobicContact CB-CG 4.48Å; D116-F119 PolarHBondContact O-N 3.02Å; F119-S121 VanDerWaalsContact C-N 3.34Å; F119-S121 WeakPolarHBondContact CB-O 3.4Å; F119-S147 WeakPolarHBondContact O-CB 3.18Å; F119-I153 CarbonylContact C-O 3.56Å; F119-I153 VanDerWaalsContact CA-O 3.25Å; F119-I153 WeakPolarHBondContact CA-O 3.49Å; F119-I153 HydrophobicContact CD1-CB 3.85Å; F119-I153 HydrophobicContact CD1-CG2 3.85Å; F119-I153 VanDerWaalsContact CD1-O 3.24Å; F119-I153 WeakPolarHBondContact CD1-O 3.46Å; F119-I153 HydrophobicContact CE1-CB 4Å; F119-I153 HydrophobicContact CE1-CG2 3.57Å; F119-T156 HydrophobicContact CE1-CG2 3.78Å; F119-T156 HydrophobicContact CZ-CG2 3.71Å; F119-L162 HydrophobicContact CE2-CD1 4.35Å; F119-L162 HydrophobicContact CE2-CD2 4.34Å; F119-L162 HydrophobicContact CZ-CD1 3.99Å; F119-L162 HydrophobicContact CZ-CD2 4.09Å |
| 120 | C | 81 | Confident | 79.2 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -67.5 | -35.9 | 176.5 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | I146 S147 C152 I153 | C120-I146 VanDerWaalsContact O-CA 3.31Å; C120-I146 WeakPolarHBondContact O-CA 3.27Å; C120-S147 PolarHBondContact O-N 3.02Å; C120-C152 WeakPolarHBondContact CA-SG 2.92Å; C120-C152 HydrophobicContact CB-CB 3.86Å; C120-C152 WeakPolarHBondContact CB-SG 3.01Å; C120-C152 WeakPolarHBondContact SG-CB 3.33Å; C120-C152 PolarHBondContact SG-O 3.29Å; C120-C152 CovalentContact SG-SG 2.03Å; C120-C152 PolarHBondContact SG-SG 3.49Å; C120-I153 PolarHBondContact N-O 3.24Å |
| 121 | S | 80.6 | Confident | 79.3 | Confident | 54 Ų | 54 | 47.2 Ų | 47.2 | 38% | 0.378 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 128 | 167.4 | 176.3 | 0 | 0 | 0 | 0 | 108.2 | F119 E144 | F119-S121 VanDerWaalsContact C-N 3.34Å; F119-S121 WeakPolarHBondContact CB-O 3.4Å; S121-E144 PolarHBondContact OG-OE2 2.04Å |
| 122 | Q | 77.1 | Confident | 79.8 | Confident | 18 Ų | 18 | 50 Ų | 50 | 8% | 0.084 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 145.2 | 177.1 | 62.6 | 176.6 | 1.7 | 0 | 0 | 110.4 | G115 D116 E144 Q145 | G115-Q122 PolarHBondContact O-OE1 3.3Å; D116-Q122 PolarHBondContact O-OE1 3.28Å; Q122-E144 CarbonylContact O-C 3.18Å; Q122-E144 WeakPolarHBondContact O-CA 3.25Å; Q122-Q145 HydrophobicContact CG-CB 3.95Å; Q122-Q145 WeakPolarHBondContact CG-O 3.07Å; Q122-Q145 PolarHBondContact N-O 3.07Å; Q122-Q145 PolarHBondContact O-N 3.47Å |
| 123 | K | 81.1 | Confident | 79.8 | Confident | 117 Ų | 117 | 47.7 Ų | 47.7 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 133.5 | 169.9 | -67 | -175.9 | 179.9 | -177.3 | 0 | 109.5 | G115 L142 | G115-K123 PolarHBondContact N-O 2.81Å; K123-L142 HydrophobicContact CB-CD1 4.29Å |
| 124 | A | 82.8 | Confident | 80 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 140.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | V113 T114 L142 V143 Q145 | V113-A124 CarbonylContact O-C 3.59Å; V113-A124 WeakPolarHBondContact O-CA 3.47Å; T114-A124 HydrophobicContact CG2-CB 3.76Å; A124-L142 WeakPolarHBondContact O-CA 3.24Å; A124-V143 HydrophobicContact CB-CG2 3.9Å; A124-V143 PolarHBondContact N-O 3.14Å; A124-V143 PolarHBondContact O-N 3.3Å; A124-Q145 HydrophobicContact CB-CB 4.24Å |
| 125 | V | 84.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.2 | 174.1 | 178.2 | 0 | 0 | 0 | 0 | 107.6 | V74 A75 V112 V113 Y127 F140 K141 L142 | V74-V125 HydrophobicContact CB-CG2 4.3Å; V74-V125 HydrophobicContact CG1-CB 4.27Å; V74-V125 HydrophobicContact CG1-CG2 3.78Å; A75-V125 HydrophobicContact CB-CG2 4.31Å; V112-V125 CarbonylContact C-O 3.56Å; V112-V125 VanDerWaalsContact CA-O 3.27Å; V112-V125 WeakPolarHBondContact CA-O 3.02Å; V113-V125 HydrophobicContact CB-CB 4.43Å; V113-V125 PolarHBondContact N-O 3.12Å; V113-V125 PolarHBondContact O-N 2.77Å; V125-Y127 HydrophobicContact CB-CE2 4.21Å; V125-Y127 HydrophobicContact CG1-CD2 3.91Å; V125-Y127 HydrophobicContact CG1-CE1 4.24Å; V125-Y127 HydrophobicContact CG1-CE2 3.31Å; V125-Y127 VanDerWaalsContact CG1-CZ 3.5Å; V125-F140 HydrophobicContact CB-CE2 4.46Å; V125-F140 HydrophobicContact CG1-CD2 3.62Å; V125-F140 HydrophobicContact CG1-CE2 3.3Å; V125-F140 HydrophobicContact CG1-CZ 4.19Å; V125-F140 HydrophobicContact CG2-CE2 4.31Å; V125-K141 WeakPolarHBondContact CA-O 3.34Å; V125-L142 HydrophobicContact CG2-CD1 3.53Å |
| 126 | I | 85.3 | Confident | 81.1 | Confident | 67 Ų | 67 | 54.1 Ų | 54.1 | 34% | 0.344 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.8 | 177.1 | -55.9 | 175.4 | 0 | 0 | 0 | 108.3 | P111 V112 K141 V143 | P111-I126 WeakPolarHBondContact O-CA 3.31Å; V112-I126 HydrophobicContact CG1-CG1 4.4Å; V112-I126 HydrophobicContact CG2-CG1 4.31Å; I126-K141 PolarHBondContact N-O 3.33Å; I126-K141 PolarHBondContact O-N 3.08Å; I126-V143 HydrophobicContact CD1-CG1 4.43Å; I126-V143 HydrophobicContact CD1-CG2 3.82Å; I126-V143 HydrophobicContact CG1-CG2 4.18Å |
| 127 | Y | 86.5 | Confident | 81.9 | Confident | 12 Ų | 12 | 58.9 Ų | 58.9 | 5% | 0.047 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 126.4 | 173.6 | -67.7 | -79.8 | 0 | 0 | 0 | 109.7 | C92 C93 P111 V113 V125 F140 | C92-Y127 HydrophobicContact CB-CD1 4.28Å; C92-Y127 HydrophobicContact CB-CG 4.22Å; C92-Y127 WeakPolarHBondContact O-CD1 3.48Å; C93-Y127 HydrophobicContact CB-CD1 4.31Å; C93-Y127 HydrophobicContact CB-CD2 4.09Å; C93-Y127 HydrophobicContact CB-CE1 3.76Å; C93-Y127 HydrophobicContact CB-CE2 3.52Å; C93-Y127 HydrophobicContact CB-CG 4.46Å; P111-Y127 PolarHBondContact O-N 3.26Å; V113-Y127 HydrophobicContact CG2-CD2 4.43Å; V113-Y127 HydrophobicContact CG2-CE2 4.03Å; V125-Y127 HydrophobicContact CB-CE2 4.21Å; V125-Y127 HydrophobicContact CG1-CD2 3.91Å; V125-Y127 HydrophobicContact CG1-CE1 4.24Å; V125-Y127 HydrophobicContact CG1-CE2 3.31Å; V125-Y127 VanDerWaalsContact CG1-CZ 3.5Å; Y127-F140 HydrophobicContact CD1-CD2 4.28Å; Y127-F140 AromaticContact CE1-CD2 3.56Å; Y127-F140 HydrophobicContact CE1-CD2 3.56Å; Y127-F140 HydrophobicContact CE1-CE2 4.25Å; Y127-F140 AromaticContact CZ-CD2 3.87Å |
| 128 | S | 86.4 | Confident | 82.7 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 36% | 0.357 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 156.5 | 171.3 | 60.1 | 0 | 0 | 0 | 0 | 110.6 | V139 | S128-V139 PolarHBondContact N-O 3.24Å; S128-V139 WeakPolarHBondContact O-CA 3.35Å; S128-V139 WeakPolarHBondContact O-CB 3.31Å; S128-V139 PolarHBondContact O-N 2.78Å; S128-V139 WeakPolarHBondContact OG-CB 3.24Å |
| 129 | L | 85.8 | Confident | 83.3 | Confident | 22 Ų | 22 | 56.7 Ų | 56.7 | 12% | 0.115 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 129.3 | 175.5 | -65.2 | 163.5 | 0 | 0 | 0 | 109.7 | F102 F105 F131 | F102-L129 HydrophobicContact CB-CD2 4.06Å; F102-L129 HydrophobicContact CD1-CD2 3.76Å; F102-L129 HydrophobicContact CD2-CD2 4.49Å; F102-L129 HydrophobicContact CE1-CD2 4.39Å; F102-L129 HydrophobicContact CG-CD2 3.85Å; F105-L129 HydrophobicContact CB-CD1 3.55Å; F105-L129 HydrophobicContact CD2-CD1 3.82Å; F105-L129 HydrophobicContact CD2-CD2 4.4Å; F105-L129 HydrophobicContact CG-CD1 4.19Å; L129-F131 HydrophobicContact CB-CD1 4.4Å; L129-F131 HydrophobicContact CB-CD2 4.28Å; L129-F131 HydrophobicContact CB-CE1 3.95Å; L129-F131 HydrophobicContact CB-CE2 3.82Å; L129-F131 HydrophobicContact CB-CZ 3.65Å; L129-F131 HydrophobicContact CD1-CE1 3.86Å; L129-F131 HydrophobicContact CD1-CE2 4.37Å; L129-F131 HydrophobicContact CD1-CZ 3.51Å; L129-F131 HydrophobicContact CG-CZ 4.25Å; L129-F131 PolarHBondContact O-N 2.77Å |
| 130 | N | 87.3 | Confident | 83.7 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 32% | 0.316 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 91 | 168.1 | -174.3 | 0.7 | 0 | 0 | 0 | 109.4 | T132 A133 Q137 V139 | N130-T132 PolarHBondContact O-N 2.99Å; N130-T132 PolarHBondContact OD1-N 2.81Å; N130-T132 PolarHBondContact OD1-OG1 2.87Å; N130-A133 HydrophobicContact CB-CB 4.45Å; N130-A133 PolarHBondContact O-N 3.5Å; N130-A133 PolarHBondContact OD1-N 2.99Å; N130-Q137 PolarHBondContact N-O 3.19Å; N130-Q137 PolarHBondContact O-N 2.9Å; N130-V139 HydrophobicContact CB-CG2 3.9Å |
| 131 | F | 83.2 | Confident | 83.9 | Confident | 103 Ų | 103 | 64.5 Ų | 64.5 | 45% | 0.452 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -11.5 | 175.5 | -60 | -69.5 | 0 | 0 | 0 | 113.8 | F105 L129 | F105-F131 VanDerWaalsContact O-CE1 3.31Å; F105-F131 WeakPolarHBondContact O-CE1 3.46Å; L129-F131 HydrophobicContact CB-CD1 4.4Å; L129-F131 HydrophobicContact CB-CD2 4.28Å; L129-F131 HydrophobicContact CB-CE1 3.95Å; L129-F131 HydrophobicContact CB-CE2 3.82Å; L129-F131 HydrophobicContact CB-CZ 3.65Å; L129-F131 HydrophobicContact CD1-CE1 3.86Å; L129-F131 HydrophobicContact CD1-CE2 4.37Å; L129-F131 HydrophobicContact CD1-CZ 3.51Å; L129-F131 HydrophobicContact CG-CZ 4.25Å; L129-F131 PolarHBondContact O-N 2.77Å |
| 132 | T | 85.7 | Confident | 84.1 | Confident | 126 Ų | 126 | 66.1 Ų | 66.1 | 77% | 0.773 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -15.1 | 176.6 | 67.4 | 0 | 0 | 0 | 0 | 112.8 | N130 | N130-T132 PolarHBondContact O-N 2.99Å; N130-T132 PolarHBondContact OD1-N 2.81Å; N130-T132 PolarHBondContact OD1-OG1 2.87Å |
| 133 | A | 81.2 | Confident | 84.5 | Confident | 20 Ų | 20 | 67.7 Ų | 67.7 | 17% | 0.165 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -78.5 | 143.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | N130 P135 P136 Q137 | N130-A133 HydrophobicContact CB-CB 4.45Å; N130-A133 PolarHBondContact O-N 3.5Å; N130-A133 PolarHBondContact OD1-N 2.99Å; A133-P135 CarbonylContact C-O 3.32Å; A133-P135 CarbonylContact O-C 3.55Å; A133-P136 WeakPolarHBondContact O-CA 3.38Å; A133-P136 VanDerWaalsContact O-N 3.09Å; A133-Q137 HydrophobicContact CB-CB 4.42Å; A133-Q137 HydrophobicContact CB-CG 4.15Å |
| 134 | N | 79.3 | Confident | 84.6 | Confident | 155 Ų | 155 | 68.8 Ų | 68.8 | 83% | 0.829 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -121.1 | 110 | 176.2 | -82.4 | -41.3 | 0 | 0 | 0 | 110.1 | ||
| 135 | P | 79.7 | Confident | 84.4 | Confident | 64 Ų | 64 | 73 Ų | 73 | 42% | 0.416 | 37% | 0.374 | S | S | . | . | S | Bend | cis | -69.7 | 159.8 | -3.6 | 30.5 | -35.6 | 0 | 0 | 0 | 112.9 | A133 Q137 | A133-P135 CarbonylContact C-O 3.32Å; A133-P135 CarbonylContact O-C 3.55Å; P135-Q137 WeakPolarHBondContact O-CG 3.1Å |
| 136 | P | 84.2 | Confident | 84.3 | Confident | 13 Ų | 13 | 79.6 Ų | 79.6 | 8% | 0.084 | 41% | 0.407 | C | S | . | . | trans | -53.8 | 140.3 | 176.8 | -28.5 | 37.4 | 0 | 0 | 0 | 112.1 | S99 F102 S103 A133 | S99-P136 WeakPolarHBondContact CB-O 3.45Å; F102-P136 HydrophobicContact CB-CB 4.01Å; S103-P136 WeakPolarHBondContact OG-CD 3.19Å; A133-P136 WeakPolarHBondContact O-CA 3.38Å; A133-P136 VanDerWaalsContact O-N 3.09Å | ||
| 137 | Q | 85.5 | Confident | 84 | Confident | 113 Ų | 113 | 77.4 Ų | 77.4 | 53% | 0.528 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 140.1 | -175.6 | -65.3 | -171.3 | -8.2 | 0 | 0 | 112 | N130 A133 P135 V139 | N130-Q137 PolarHBondContact N-O 3.19Å; N130-Q137 PolarHBondContact O-N 2.9Å; A133-Q137 HydrophobicContact CB-CB 4.42Å; A133-Q137 HydrophobicContact CB-CG 4.15Å; P135-Q137 WeakPolarHBondContact O-CG 3.1Å; Q137-V139 PolarHBondContact O-N 2.83Å |
| 138 | R | 87.4 | Confident | 83.6 | Confident | 99 Ų | 99 | 83 Ų | 83 | 37% | 0.374 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 127.7 | 164.8 | 172.8 | 175.9 | 74.9 | -160.4 | 3.1 | 109.9 | C92 D94 F102 | C92-R138 WeakPolarHBondContact O-CD 3.49Å; D94-R138 PolarHBondContact O-NH1 2.03Å; F102-R138 HydrophobicContact CD2-CB 4.32Å; F102-R138 HydrophobicContact CE1-CB 4.43Å; F102-R138 HydrophobicContact CE2-CB 3.62Å; F102-R138 HydrophobicContact CZ-CB 3.7Å |
| 139 | V | 86.3 | Confident | 83.2 | Confident | 40 Ų | 40 | 83.1 Ų | 83.1 | 24% | 0.242 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 119.8 | 165.9 | -178.3 | 0 | 0 | 0 | 0 | 107.7 | S128 N130 Q137 K141 | S128-V139 PolarHBondContact N-O 3.24Å; S128-V139 WeakPolarHBondContact O-CA 3.35Å; S128-V139 WeakPolarHBondContact O-CB 3.31Å; S128-V139 PolarHBondContact O-N 2.78Å; S128-V139 WeakPolarHBondContact OG-CB 3.24Å; N130-V139 HydrophobicContact CB-CG2 3.9Å; Q137-V139 PolarHBondContact O-N 2.83Å; V139-K141 HydrophobicContact CG1-CD 4.46Å; V139-K141 HydrophobicContact CG1-CG 4.21Å |
| 140 | F | 86.3 | Confident | 82.8 | Confident | 95 Ų | 95 | 89.2 Ų | 89.2 | 42% | 0.417 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.6 | 175.1 | 167.1 | -92.3 | 0 | 0 | 0 | 108.4 | A75 V125 Y127 L142 | A75-F140 HydrophobicContact CB-CZ 4.29Å; V125-F140 HydrophobicContact CB-CE2 4.46Å; V125-F140 HydrophobicContact CG1-CD2 3.62Å; V125-F140 HydrophobicContact CG1-CE2 3.3Å; V125-F140 HydrophobicContact CG1-CZ 4.19Å; V125-F140 HydrophobicContact CG2-CE2 4.31Å; Y127-F140 HydrophobicContact CD1-CD2 4.28Å; Y127-F140 AromaticContact CE1-CD2 3.56Å; Y127-F140 HydrophobicContact CE1-CD2 3.56Å; Y127-F140 HydrophobicContact CE1-CE2 4.25Å; Y127-F140 AromaticContact CZ-CD2 3.87Å; F140-L142 HydrophobicContact CE1-CB 4.49Å |
| 141 | K | 86.3 | Confident | 82.5 | Confident | 127 Ų | 127 | 94.8 Ų | 94.8 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 118.1 | 175.3 | -69.3 | -176.8 | -179.3 | 179.6 | 0 | 110.4 | V125 I126 V139 V143 | V125-K141 WeakPolarHBondContact CA-O 3.34Å; I126-K141 PolarHBondContact N-O 3.33Å; I126-K141 PolarHBondContact O-N 3.08Å; V139-K141 HydrophobicContact CG1-CD 4.46Å; V139-K141 HydrophobicContact CG1-CG 4.21Å; K141-V143 HydrophobicContact CB-CG1 4.25Å |
| 142 | L | 84.7 | Confident | 82.3 | Confident | 88 Ų | 88 | 91.4 Ų | 91.4 | 46% | 0.461 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 118 | 165.3 | -174.7 | 69.7 | 0 | 0 | 0 | 108.1 | K123 A124 V125 F140 | K123-L142 HydrophobicContact CB-CD1 4.29Å; A124-L142 WeakPolarHBondContact O-CA 3.24Å; V125-L142 HydrophobicContact CG2-CD1 3.53Å; F140-L142 HydrophobicContact CE1-CB 4.49Å |
| 143 | V | 85.3 | Confident | 81.8 | Confident | 51 Ų | 51 | 88.1 Ų | 88.1 | 31% | 0.309 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 148.5 | -179.4 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | A124 I126 K141 | A124-V143 HydrophobicContact CB-CG2 3.9Å; A124-V143 PolarHBondContact N-O 3.14Å; A124-V143 PolarHBondContact O-N 3.3Å; I126-V143 HydrophobicContact CD1-CG1 4.43Å; I126-V143 HydrophobicContact CD1-CG2 3.82Å; I126-V143 HydrophobicContact CG1-CG2 4.18Å; K141-V143 HydrophobicContact CB-CG1 4.25Å |
| 144 | E | 82.8 | Confident | 81.5 | Confident | 140 Ų | 140 | 94.6 Ų | 94.6 | 65% | 0.654 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 118 | 162.7 | -79 | -167.8 | -178.8 | 0 | 0 | 108.8 | S121 Q122 | S121-E144 PolarHBondContact OG-OE2 2.04Å; Q122-E144 CarbonylContact O-C 3.18Å; Q122-E144 WeakPolarHBondContact O-CA 3.25Å |
| 145 | Q | 79.8 | Confident | 81 | Confident | 89 Ų | 89 | 93.5 Ų | 93.5 | 42% | 0.416 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127.5 | 175.6 | -172.5 | 173 | 1.6 | 0 | 0 | 108.9 | Q122 A124 | Q122-Q145 HydrophobicContact CG-CB 3.95Å; Q122-Q145 WeakPolarHBondContact CG-O 3.07Å; Q122-Q145 PolarHBondContact N-O 3.07Å; Q122-Q145 PolarHBondContact O-N 3.47Å; A124-Q145 HydrophobicContact CB-CB 4.24Å |
| 146 | I | 82.4 | Confident | 80.5 | Confident | 137 Ų | 137 | 92.5 Ų | 92.5 | 70% | 0.703 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 126.8 | 178.8 | -59 | 174.5 | 0 | 0 | 0 | 108.3 | C120 | C120-I146 VanDerWaalsContact O-CA 3.31Å; C120-I146 WeakPolarHBondContact O-CA 3.27Å |
| 147 | S | 77.9 | Confident | 79.6 | Confident | 21 Ų | 21 | 97.4 Ų | 97.4 | 15% | 0.147 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 129 | 175.1 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | S117 F119 C120 S149 | S117-S147 PolarHBondContact O-OG 2.62Å; F119-S147 WeakPolarHBondContact O-CB 3.18Å; C120-S147 PolarHBondContact O-N 3.02Å; S147-S149 PolarHBondContact O-N 3.1Å; S147-S149 PolarHBondContact OG-N 2.93Å |
| 148 | P | 78.8 | Confident | 78.9 | Confident | 131 Ų | 131 | 97.4 Ų | 97.4 | 85% | 0.851 | 49% | 0.489 | S | S | * | . | trans | -74.6 | -4.6 | 176.6 | 31.5 | -35.2 | 0 | 0 | 0 | 112.7 | I150 | P148-I150 PolarHBondContact O-N 3.34Š| ||
| 149 | S | 77.1 | Confident | 77.8 | Confident | 53 Ų | 53 | 100.4 Ų | 100.4 | 37% | 0.371 | 51% | 0.505 | S | S | . | . | trans | -72.9 | 126.1 | -178.7 | -177.5 | 0 | 0 | 0 | 0 | 111.3 | S147 F151 C152 | S147-S149 PolarHBondContact O-N 3.1Å; S147-S149 PolarHBondContact OG-N 2.93Å; S149-F151 PolarHBondContact O-N 3.42Å; S149-F151 PolarHBondContact OG-N 3.16Å; S149-C152 VanDerWaalsContact O-CB 3.27Å; S149-C152 WeakPolarHBondContact O-CB 3.07Å; S149-C152 PolarHBondContact O-N 3.04Å; S149-C152 PolarHBondContact O-SG 3.16Å | ||
| 150 | I | 78.8 | Confident | 76.9 | Confident | 149 Ų | 149 | 102 Ų | 102 | 76% | 0.764 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.1 | 171.9 | 60.3 | 169.1 | 0 | 0 | 0 | 113.2 | P148 | P148-I150 PolarHBondContact O-N 3.34Š|
| 151 | F | 79.1 | Confident | 75.8 | Confident | 177 Ų | 177 | 100.1 Ų | 100.1 | 78% | 0.776 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 18.8 | 177.1 | -61.9 | -67.2 | 0 | 0 | 0 | 112.4 | S149 | S149-F151 PolarHBondContact O-N 3.42Å; S149-F151 PolarHBondContact OG-N 3.16Å |
| 152 | C | 80.1 | Confident | 74.9 | Confident | 32 Ų | 32 | 96 Ų | 96 | 22% | 0.216 | 50% | 0.502 | C | S | . | . | trans | -65.4 | 147.1 | 177.7 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | Q118 C120 S149 | Q118-C152 CarbonylContact O-C 3.57Å; Q118-C152 WeakPolarHBondContact O-CA 3.47Å; C120-C152 WeakPolarHBondContact CA-SG 2.92Å; C120-C152 HydrophobicContact CB-CB 3.86Å; C120-C152 WeakPolarHBondContact CB-SG 3.01Å; C120-C152 WeakPolarHBondContact SG-CB 3.33Å; C120-C152 PolarHBondContact SG-O 3.29Å; C120-C152 CovalentContact SG-SG 2.03Å; C120-C152 PolarHBondContact SG-SG 3.49Å; S149-C152 VanDerWaalsContact O-CB 3.27Å; S149-C152 WeakPolarHBondContact O-CB 3.07Å; S149-C152 PolarHBondContact O-N 3.04Å; S149-C152 PolarHBondContact O-SG 3.16Å | ||
| 153 | I | 74.9 | Confident | 74 | Confident | 56 Ų | 56 | 94.4 Ų | 94.4 | 29% | 0.287 | 50% | 0.498 | S | S | . | . | B | Isolated β-bridge | trans | -81 | 118.6 | 178.1 | -56.4 | 174.9 | 0 | 0 | 0 | 107.4 | Q118 F119 C120 | Q118-I153 HydrophobicContact CB-CD1 3.91Å; Q118-I153 HydrophobicContact CB-CG1 4.34Å; Q118-I153 PolarHBondContact O-N 2.03Å; F119-I153 CarbonylContact C-O 3.56Å; F119-I153 VanDerWaalsContact CA-O 3.25Å; F119-I153 WeakPolarHBondContact CA-O 3.49Å; F119-I153 HydrophobicContact CD1-CB 3.85Å; F119-I153 HydrophobicContact CD1-CG2 3.85Å; F119-I153 VanDerWaalsContact CD1-O 3.24Å; F119-I153 WeakPolarHBondContact CD1-O 3.46Å; F119-I153 HydrophobicContact CE1-CB 4Å; F119-I153 HydrophobicContact CE1-CG2 3.57Å; C120-I153 PolarHBondContact N-O 3.24Å |
| 154 | H | 74.2 | Confident | 73.2 | Confident | 156 Ų | 156 | 93.9 Ų | 93.9 | 72% | 0.722 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -88 | -35 | 175.9 | -168.7 | -91.1 | 0 | 0 | 0 | 111.9 | ||
| 155 | I | 69.5 | Low | 72.3 | Confident | 132 Ų | 132 | 93 Ų | 93 | 68% | 0.677 | 49% | 0.49 | S | S | * | . | trans | -140.9 | 123.4 | -179.9 | -57.3 | 176.6 | 0 | 0 | 0 | 108 | ||||
| 156 | T | 69.1 | Low | 71.3 | Confident | 43 Ų | 43 | 91.9 Ų | 91.9 | 26% | 0.264 | 49% | 0.487 | S | S | . | . | trans | -91.7 | 118.3 | 165.2 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | F119 Y158 L162 | F119-T156 HydrophobicContact CE1-CG2 3.78Å; F119-T156 HydrophobicContact CZ-CG2 3.71Å; T156-Y158 VanDerWaalsContact C-N 3.35Å; T156-Y158 PolarHBondContact OG1-N 3.2Å; T156-L162 HydrophobicContact CG2-CD1 3.84Å | ||
| 157 | N | 66.4 | Low | 70.1 | Confident | 116 Ų | 116 | 88.6 Ų | 88.6 | 62% | 0.62 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -92.3 | 1 | 172.2 | 63.9 | -17.7 | 0 | 0 | 0 | 112.5 | ||
| 158 | Y | 68.9 | Low | 69.2 | Low | 114 Ų | 114 | 94.4 Ų | 94.4 | 45% | 0.447 | 50% | 0.499 | S | S | . | . | trans | -132.4 | 75.5 | -179.4 | -171 | -126.1 | 0 | 0 | 0 | 111.1 | T156 P160 A161 | T156-Y158 VanDerWaalsContact C-N 3.35Å; T156-Y158 PolarHBondContact OG1-N 3.2Å; Y158-P160 VanDerWaalsContact C-N 3.33Å; Y158-P160 HydrophobicContact CD2-CG 4.29Å; Y158-P160 HydrophobicContact CE2-CB 3.99Å; Y158-P160 HydrophobicContact CE2-CG 3.91Å; Y158-A161 HydrophobicContact CD1-CB 3.26Å; Y158-A161 HydrophobicContact CE1-CB 3.56Å; Y158-A161 HydrophobicContact CG-CB 4.3Å; Y158-A161 PolarHBondContact O-N 3.27Å | ||
| 159 | K | 65.3 | Low | 67.9 | Low | 161 Ų | 161 | 93 Ų | 93 | 70% | 0.7 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -54 | -36.8 | 179.1 | -63 | -175.5 | 179.4 | -177.7 | 0 | 114.6 | A161 L162 | K159-A161 VanDerWaalsContact C-N 3.25Å; K159-A161 PolarHBondContact O-N 3.25Å; K159-L162 WeakPolarHBondContact O-CB 2.91Å; K159-L162 PolarHBondContact O-N 2.91Å |
| 160 | P | 66.3 | Low | 66.8 | Low | 74 Ų | 74 | 94.6 Ų | 94.6 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -61.3 | -25.7 | 177.7 | -26.1 | 36.2 | 0 | 0 | 0 | 115.1 | Y158 L162 S163 | Y158-P160 VanDerWaalsContact C-N 3.33Å; Y158-P160 HydrophobicContact CD2-CG 4.29Å; Y158-P160 HydrophobicContact CE2-CB 3.99Å; Y158-P160 HydrophobicContact CE2-CG 3.91Å; P160-L162 PolarHBondContact O-N 2.98Å; P160-S163 PolarHBondContact O-N 2.86Å; P160-S163 PolarHBondContact O-OG 2.72Å |
| 161 | A | 63.8 | Low | 66 | Low | 56 Ų | 56 | 91.2 Ų | 91.2 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -68.4 | -12.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | Y158 K159 S163 | Y158-A161 HydrophobicContact CD1-CB 3.26Å; Y158-A161 HydrophobicContact CE1-CB 3.56Å; Y158-A161 HydrophobicContact CG-CB 4.3Å; Y158-A161 PolarHBondContact O-N 3.27Å; K159-A161 VanDerWaalsContact C-N 3.25Å; K159-A161 PolarHBondContact O-N 3.25Å; A161-S163 PolarHBondContact O-N 2.74Å |
| 162 | L | 68.3 | Low | 65.3 | Low | 41 Ų | 41 | 92 Ų | 92 | 22% | 0.215 | 49% | 0.486 | C | S | . | . | G | 310 helix | trans | -86.2 | 6.7 | 177.8 | -55.8 | 178.9 | 0 | 0 | 0 | 112.4 | F119 T156 K159 P160 S523 L524 | F119-L162 HydrophobicContact CE2-CD1 4.35Å; F119-L162 HydrophobicContact CE2-CD2 4.34Å; F119-L162 HydrophobicContact CZ-CD1 3.99Å; F119-L162 HydrophobicContact CZ-CD2 4.09Å; T156-L162 HydrophobicContact CG2-CD1 3.84Å; K159-L162 WeakPolarHBondContact O-CB 2.91Å; K159-L162 PolarHBondContact O-N 2.91Å; P160-L162 PolarHBondContact O-N 2.98Å; L162-S523 CarbonylContact O-C 3.56Å; L162-S523 WeakPolarHBondContact O-CA 3.44Å; L162-S523 PolarHBondContact O-OG 3.26Å; L162-L524 PolarHBondContact O-N 3.17Å |
| 163 | S | 65.6 | Low | 64.9 | Low | 53 Ų | 53 | 97.5 Ų | 97.5 | 37% | 0.371 | 51% | 0.514 | S | S | . | . | B | Isolated β-bridge | trans | -135.4 | 147.6 | 179.4 | 50.4 | 0 | 0 | 0 | 0 | 111.2 | P160 A161 G522 | P160-S163 PolarHBondContact O-N 2.86Å; P160-S163 PolarHBondContact O-OG 2.72Å; A161-S163 PolarHBondContact O-N 2.74Å; S163-G522 CarbonylContact C-O 3.55Å; S163-G522 VanDerWaalsContact CA-O 3.29Å; S163-G522 WeakPolarHBondContact CA-O 3.48Å; S163-G522 WeakPolarHBondContact CB-O 3.41Å |
| 164 | F | 67.8 | Low | 64.5 | Low | 41 Ų | 41 | 96 Ų | 96 | 18% | 0.18 | 51% | 0.507 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 137 | 169.1 | -69.3 | -84.9 | 0 | 0 | 0 | 109.7 | N166 K520 G522 L524 P527 | F164-N166 PolarHBondContact O-N 3.49Å; F164-K520 WeakPolarHBondContact CB-O 3.34Å; F164-K520 HydrophobicContact CD1-CB 3.66Å; F164-K520 HydrophobicContact CD1-CD 4.5Å; F164-K520 HydrophobicContact CD2-CB 3.93Å; F164-K520 HydrophobicContact CE1-CB 3.64Å; F164-K520 HydrophobicContact CE1-CD 3.65Å; F164-K520 HydrophobicContact CE1-CG 4.28Å; F164-K520 HydrophobicContact CE2-CB 3.92Å; F164-K520 HydrophobicContact CE2-CD 4.41Å; F164-K520 HydrophobicContact CG-CB 3.81Å; F164-K520 WeakPolarHBondContact CG-O 3.21Å; F164-K520 HydrophobicContact CZ-CB 3.77Å; F164-K520 HydrophobicContact CZ-CD 3.6Å; F164-K520 HydrophobicContact CZ-CG 4.28Å; F164-G522 WeakPolarHBondContact CD2-O 3.27Å; F164-G522 PolarHBondContact N-O 3.38Å; F164-L524 HydrophobicContact CE1-CD1 4.11Å; F164-L524 HydrophobicContact CE2-CD1 3.92Å; F164-L524 HydrophobicContact CZ-CD1 3.59Å; F164-P527 HydrophobicContact CD2-CB 4.37Å; F164-P527 HydrophobicContact CE2-CB 3.52Å; F164-P527 HydrophobicContact CE2-CG 4.4Å; F164-P527 HydrophobicContact CZ-CB 3.95Å |
| 165 | I | 63.8 | Low | 64.2 | Low | 120 Ų | 120 | 93.7 Ų | 93.7 | 62% | 0.615 | 50% | 0.495 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 118.9 | 174.4 | -57.9 | 172.8 | 0 | 0 | 0 | 106.8 | ||
| 166 | N | 59.1 | Low | 64.2 | Low | 66 Ų | 66 | 92.5 Ų | 92.5 | 35% | 0.353 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 138.4 | 171.9 | -68.8 | -26.2 | 0 | 0 | 0 | 108.5 | F164 E168 Y521 | F164-N166 PolarHBondContact O-N 3.49Å; N166-E168 PolarHBondContact O-N 3.48Å; N166-Y521 WeakPolarHBondContact OD1-CD2 3.31Å; N166-Y521 WeakPolarHBondContact OD1-CE2 3.47Å |
| 167 | P | 57.8 | Low | 64.3 | Low | 68 Ų | 68 | 94.8 Ų | 94.8 | 44% | 0.442 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 130.2 | 168.9 | 8.7 | -12.5 | 0 | 0 | 0 | 108.8 | V169 | P167-V169 PolarHBondContact O-N 3.32Š|
| 168 | E | 57.9 | Low | 64.2 | Low | 143 Ų | 143 | 91.5 Ų | 91.5 | 67% | 0.668 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 126.5 | 178.1 | -91.6 | 178.2 | 155.6 | 0 | 0 | 109.1 | N166 L178 | N166-E168 PolarHBondContact O-N 3.48Å; E168-L178 HydrophobicContact CB-CD1 4.35Å; E168-L178 HydrophobicContact CB-CD2 4.13Å |
| 169 | V | 52.6 | Low | 63.6 | Low | 103 Ų | 103 | 89.4 Ų | 89.4 | 62% | 0.624 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -81.3 | 130.2 | 177.3 | -177.8 | 0 | 0 | 0 | 0 | 107.2 | P167 D171 N174 | P167-V169 PolarHBondContact O-N 3.32Å; V169-D171 PolarHBondContact O-N 2.85Å; V169-N174 PolarHBondContact O-ND2 2.78Å |
| 170 | P | 52.8 | Low | 63.3 | Low | 85 Ų | 85 | 89.9 Ų | 89.9 | 55% | 0.552 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 122.5 | 174.8 | -23.3 | 32.9 | 0 | 0 | 0 | 111.2 | N174 F175 L178 | P170-N174 VanDerWaalsContact CA-OD1 3.25Å; P170-N174 WeakPolarHBondContact CA-OD1 3.42Å; P170-F175 HydrophobicContact CB-CD2 4.21Å; P170-L178 HydrophobicContact CB-CD1 4.31Å; P170-L178 HydrophobicContact CG-CD1 4.18Å |
| 171 | D | 62.3 | Low | 62.7 | Low | 79 Ų | 79 | 91.5 Ų | 91.5 | 42% | 0.422 | 49% | 0.492 | S | S | . | . | trans | -125.2 | 168.4 | 169.2 | 70.9 | 36.1 | 0 | 0 | 0 | 109.1 | V169 N173 N174 F175 | V169-D171 PolarHBondContact O-N 2.85Å; D171-N173 PolarHBondContact O-N 2.94Å; D171-N173 WeakPolarHBondContact OD1-CA 3.05Å; D171-N173 WeakPolarHBondContact OD1-CB 2.79Å; D171-N173 PolarHBondContact OD1-N 3.15Å; D171-N174 VanDerWaalsContact CG-CG 3.49Å; D171-N174 VanDerWaalsContact CG-ND2 3.29Å; D171-N174 PolarHBondContact N-OD1 3.27Å; D171-N174 PolarHBondContact O-N 3.47Å; D171-N174 PolarHBondContact O-OD1 3.21Å; D171-N174 VanDerWaalsContact OD1-CG 3.23Å; D171-N174 PolarHBondContact OD1-N 3.03Å; D171-N174 PolarHBondContact OD1-ND2 3.46Å; D171-N174 PolarHBondContact OD2-ND2 3.16Å; D171-F175 VanDerWaalsContact O-CB 3.26Å; D171-F175 WeakPolarHBondContact O-CB 3.45Å; D171-F175 PolarHBondContact O-N 3.06Å | ||
| 172 | E | 65.3 | Low | 61.9 | Low | 192 Ų | 192 | 90.6 Ų | 90.6 | 90% | 0.897 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -20.7 | -175.7 | -63.8 | -135.7 | 165.3 | 0 | 0 | 114.1 | ||
| 173 | N | 71.1 | Confident | 60.6 | Low | 149 Ų | 149 | 97 Ų | 97 | 80% | 0.797 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | -27.1 | -178.3 | -58.9 | -51.3 | 0 | 0 | 0 | 112.7 | D171 | D171-N173 PolarHBondContact O-N 2.94Å; D171-N173 WeakPolarHBondContact OD1-CA 3.05Å; D171-N173 WeakPolarHBondContact OD1-CB 2.79Å; D171-N173 PolarHBondContact OD1-N 3.15Å |
| 174 | N | 67.8 | Low | 59.6 | Low | 25 Ų | 25 | 97.6 Ų | 97.6 | 13% | 0.134 | 53% | 0.531 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -12.9 | -176.8 | 74.1 | 22.1 | 0 | 0 | 0 | 113 | V169 P170 D171 D176 T177 L178 | V169-N174 PolarHBondContact O-ND2 2.78Å; P170-N174 VanDerWaalsContact CA-OD1 3.25Å; P170-N174 WeakPolarHBondContact CA-OD1 3.42Å; D171-N174 VanDerWaalsContact CG-CG 3.49Å; D171-N174 VanDerWaalsContact CG-ND2 3.29Å; D171-N174 PolarHBondContact N-OD1 3.27Å; D171-N174 PolarHBondContact O-N 3.47Å; D171-N174 PolarHBondContact O-OD1 3.21Å; D171-N174 VanDerWaalsContact OD1-CG 3.23Å; D171-N174 PolarHBondContact OD1-N 3.03Å; D171-N174 PolarHBondContact OD1-ND2 3.46Å; D171-N174 PolarHBondContact OD2-ND2 3.16Å; N174-D176 PolarHBondContact O-N 2.95Å; N174-T177 PolarHBondContact O-N 3.4Å; N174-L178 HydrophobicContact CB-CD1 4.32Å; N174-L178 WeakPolarHBondContact O-CG 3.18Å; N174-L178 PolarHBondContact O-N 2.91Å; N174-L178 VanDerWaalsContact OD1-CD1 3.26Å; N174-L178 WeakPolarHBondContact OD1-CD1 3.32Å |
| 175 | F | 66.3 | Low | 58 | Low | 106 Ų | 106 | 102.2 Ų | 102.2 | 47% | 0.465 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -52.9 | -52.2 | -176.4 | -176.8 | -93.8 | 0 | 0 | 0 | 112.4 | P170 D171 T177 L178 M179 | P170-F175 HydrophobicContact CB-CD2 4.21Å; D171-F175 VanDerWaalsContact O-CB 3.26Å; D171-F175 WeakPolarHBondContact O-CB 3.45Å; D171-F175 PolarHBondContact O-N 3.06Å; F175-T177 PolarHBondContact O-N 2.76Å; F175-L178 PolarHBondContact O-N 2.9Å; F175-M179 VanDerWaalsContact O-CB 3.24Å; F175-M179 WeakPolarHBondContact O-CB 3.04Å; F175-M179 PolarHBondContact O-N 2.6Å |
| 176 | D | 71.1 | Confident | 56.5 | Low | 107 Ų | 107 | 102.1 Ų | 102.1 | 57% | 0.572 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63 | -30.3 | -179 | -74.1 | -21.6 | 0 | 0 | 0 | 112.9 | N174 K180 | N174-D176 PolarHBondContact O-N 2.95Å; D176-K180 WeakPolarHBondContact O-CD 3.33Å; D176-K180 VanDerWaalsContact O-CG 3.23Å; D176-K180 WeakPolarHBondContact O-CG 3.5Å; D176-K180 PolarHBondContact O-N 3.1Å |
| 177 | T | 70.6 | Confident | 55.4 | Low | 91 Ų | 91 | 105.6 Ų | 105.6 | 56% | 0.558 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -79.9 | -44.3 | -179.7 | -48 | 0 | 0 | 0 | 0 | 110.4 | N174 F175 M179 K180 T181 | N174-T177 PolarHBondContact O-N 3.4Å; F175-T177 PolarHBondContact O-N 2.76Å; T177-M179 VanDerWaalsContact C-N 3.33Å; T177-M179 PolarHBondContact O-N 2.97Å; T177-K180 PolarHBondContact O-N 2.95Å; T177-T181 PolarHBondContact O-N 2.89Å; T177-T181 PolarHBondContact O-OG1 3.45Å |
| 178 | L | 63.7 | Low | 54.2 | Low | 47 Ų | 47 | 109 Ų | 109 | 25% | 0.246 | 59% | 0.589 | C | S | . | * | H | α-helix | trans | -62.4 | -41.3 | 174.7 | -69.4 | 173.2 | 0 | 0 | 0 | 111.1 | E168 P170 N174 F175 K180 T181 S182 | E168-L178 HydrophobicContact CB-CD1 4.35Å; E168-L178 HydrophobicContact CB-CD2 4.13Å; P170-L178 HydrophobicContact CB-CD1 4.31Å; P170-L178 HydrophobicContact CG-CD1 4.18Å; N174-L178 HydrophobicContact CB-CD1 4.32Å; N174-L178 WeakPolarHBondContact O-CG 3.18Å; N174-L178 PolarHBondContact O-N 2.91Å; N174-L178 VanDerWaalsContact OD1-CD1 3.26Å; N174-L178 WeakPolarHBondContact OD1-CD1 3.32Å; F175-L178 PolarHBondContact O-N 2.9Å; L178-K180 VanDerWaalsContact C-N 3.31Å; L178-K180 PolarHBondContact O-N 3.09Å; L178-T181 PolarHBondContact O-N 3.14Å; L178-T181 VanDerWaalsContact O-N 3.14Å; L178-S182 PolarHBondContact O-N 3.27Å; L178-S182 VanDerWaalsContact O-N 3.07Å; L178-S182 PolarHBondContact O-OG 3.4Å; L178-S182 VanDerWaalsContact O-OG 3.12Å |
| 179 | M | 56.2 | Low | 53 | Low | 71 Ų | 71 | 106.4 Ų | 106.4 | 35% | 0.35 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.5 | -32 | 179.2 | -160 | 63.2 | 177.3 | 0 | 0 | 112.9 | F175 T177 S182 F185 L187 | F175-M179 VanDerWaalsContact O-CB 3.24Å; F175-M179 WeakPolarHBondContact O-CB 3.04Å; F175-M179 PolarHBondContact O-N 2.6Å; T177-M179 VanDerWaalsContact C-N 3.33Å; T177-M179 PolarHBondContact O-N 2.97Å; M179-S182 PolarHBondContact O-OG 3.49Å; M179-S182 VanDerWaalsContact O-OG 3.06Å; M179-F185 HydrophobicContact SD-CD2 4.49Å; M179-L187 HydrophobicContact CE-CD1 3.77Å; M179-L187 HydrophobicContact CE-CD2 4.07Å; M179-L187 HydrophobicContact CE-CG 4.08Å |
| 180 | K | 60 | Low | 52.2 | Low | 171 Ų | 171 | 110.8 Ų | 110.8 | 74% | 0.743 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -75.8 | -25.5 | 174.3 | -75.8 | 171 | -174.4 | 170.1 | 0 | 113.6 | D176 T177 L178 | D176-K180 WeakPolarHBondContact O-CD 3.33Å; D176-K180 VanDerWaalsContact O-CG 3.23Å; D176-K180 WeakPolarHBondContact O-CG 3.5Å; D176-K180 PolarHBondContact O-N 3.1Å; T177-K180 PolarHBondContact O-N 2.95Å; L178-K180 VanDerWaalsContact C-N 3.31Å; L178-K180 PolarHBondContact O-N 3.09Å |
| 181 | T | 52.8 | Low | 51.1 | Low | 108 Ų | 108 | 111.6 Ų | 111.6 | 66% | 0.663 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -90.4 | -21.3 | -176.2 | -44.3 | 0 | 0 | 0 | 0 | 111.8 | T177 L178 D183 | T177-T181 PolarHBondContact O-N 2.89Å; T177-T181 PolarHBondContact O-OG1 3.45Å; L178-T181 PolarHBondContact O-N 3.14Å; L178-T181 VanDerWaalsContact O-N 3.14Å; T181-D183 PolarHBondContact O-N 2.04Å; T181-D183 VanDerWaalsContact O-N 3.16Å |
| 182 | S | 48.1 | Very low | 49.7 | Very low | 37 Ų | 37 | 115.3 Ų | 115.3 | 26% | 0.259 | 63% | 0.633 | S | S | . | * | trans | -80.1 | 90.1 | 177 | 51.3 | 0 | 0 | 0 | 0 | 112.7 | L178 M179 G184 F185 | L178-S182 PolarHBondContact O-N 3.27Å; L178-S182 VanDerWaalsContact O-N 3.07Å; L178-S182 PolarHBondContact O-OG 3.4Å; L178-S182 VanDerWaalsContact O-OG 3.12Å; M179-S182 PolarHBondContact O-OG 3.49Å; M179-S182 VanDerWaalsContact O-OG 3.06Å; S182-G184 PolarHBondContact O-N 3.37Å; S182-F185 VanDerWaalsContact CB-CD2 3.47Å; S182-F185 VanDerWaalsContact CB-CE2 3.45Å; S182-F185 WeakPolarHBondContact OG-CD2 3.06Å | ||
| 183 | D | 40.6 | Very low | 48 | Very low | 175 Ų | 175 | 112.5 Ų | 112.5 | 94% | 0.936 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 56.5 | 168.7 | -84.9 | -30.2 | 0 | 0 | 0 | 112.4 | T181 | T181-D183 PolarHBondContact O-N 2.04Å; T181-D183 VanDerWaalsContact O-N 3.16Å |
| 184 | G | 43.3 | Very low | 45.9 | Very low | 65 Ų | 65 | 110.1 Ų | 110.1 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.7 | 10 | -176.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | S182 T186 | S182-G184 PolarHBondContact O-N 3.37Å; G184-T186 PolarHBondContact O-N 2.77Å |
| 185 | F | 35.4 | Very low | 44 | Very low | 139 Ų | 139 | 117.5 Ų | 117.5 | 61% | 0.61 | 65% | 0.649 | S | S | * | * | trans | -88.7 | 94.6 | 165.8 | -67.2 | -73.9 | 0 | 0 | 0 | 109 | M179 S182 L187 | M179-F185 HydrophobicContact SD-CD2 4.49Å; S182-F185 VanDerWaalsContact CB-CD2 3.47Å; S182-F185 VanDerWaalsContact CB-CE2 3.45Å; S182-F185 WeakPolarHBondContact OG-CD2 3.06Å; F185-L187 PolarHBondContact O-N 3.37Å | ||
| 186 | T | 32.8 | Very low | 42.2 | Very low | 118 Ų | 118 | 118.5 Ų | 118.5 | 72% | 0.724 | 66% | 0.664 | S | S | * | * | trans | -64.8 | 94.8 | 155.7 | 43.7 | 0 | 0 | 0 | 0 | 107.1 | G184 N188 | G184-T186 PolarHBondContact O-N 2.77Å; T186-N188 PolarHBondContact O-N 3.17Å | ||
| 187 | L | 34.8 | Very low | 40.3 | Very low | 138 Ų | 138 | 120.2 Ų | 120.2 | 72% | 0.723 | 68% | 0.678 | S | S | * | * | trans | -62.9 | 83.1 | 164.2 | -71.3 | 168 | 0 | 0 | 0 | 107.6 | M179 F185 A189 | M179-L187 HydrophobicContact CE-CD1 3.77Å; M179-L187 HydrophobicContact CE-CD2 4.07Å; M179-L187 HydrophobicContact CE-CG 4.08Å; F185-L187 PolarHBondContact O-N 3.37Å; L187-A189 VanDerWaalsContact C-N 3.29Å; L187-A189 PolarHBondContact O-N 2.95Å; L187-A189 VanDerWaalsContact O-N 3.14Å | ||
| 188 | N | 33.2 | Very low | 38.3 | Very low | 140 Ų | 140 | 125 Ų | 125 | 75% | 0.749 | 69% | 0.691 | S | S | * | * | trans | -72.9 | 101.9 | 153.9 | -69.8 | -22.8 | 0 | 0 | 0 | 104.4 | T186 E190 | T186-N188 PolarHBondContact O-N 3.17Å; N188-E190 PolarHBondContact O-N 3.39Å | ||
| 189 | A | 32.5 | Very low | 36.8 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -40.2 | 128.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | L187 S191 | L187-A189 VanDerWaalsContact C-N 3.29Å; L187-A189 PolarHBondContact O-N 2.95Å; L187-A189 VanDerWaalsContact O-N 3.14Å; A189-S191 VanDerWaalsContact C-N 3.27Å; A189-S191 PolarHBondContact O-N 3.33Å | ||
| 190 | E | 35.2 | Very low | 35.7 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 92% | 0.916 | 74% | 0.743 | S | S | * | * | trans | -49.8 | 97.2 | 169.8 | -75.5 | 174.5 | 139.4 | 0 | 0 | 107.8 | N188 D192 | N188-E190 PolarHBondContact O-N 3.39Å; E190-D192 PolarHBondContact O-N 2.85Å | ||
| 191 | S | 30.9 | Very low | 34.2 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -72.5 | 111.3 | 165.4 | 55.4 | 0 | 0 | 0 | 0 | 105.1 | A189 I193 | A189-S191 VanDerWaalsContact C-N 3.27Å; A189-S191 PolarHBondContact O-N 3.33Å; S191-I193 PolarHBondContact O-N 3.39Å | ||
| 192 | D | 31.8 | Very low | 33.6 | Very low | 157 Ų | 157 | 133.7 Ų | 133.7 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | trans | -28.7 | 109.2 | 170.5 | -81.1 | -44.6 | 0 | 0 | 0 | 110.6 | E190 S194 | E190-D192 PolarHBondContact O-N 2.85Å; D192-S194 PolarHBondContact O-N 3.41Å | ||
| 193 | I | 29.7 | Very low | 33.3 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | trans | -69.5 | 89 | 174.6 | -56.7 | 172.2 | 0 | 0 | 0 | 105.4 | S191 F195 | S191-I193 PolarHBondContact O-N 3.39Å; I193-F195 VanDerWaalsContact C-N 3.28Å; I193-F195 HydrophobicContact CB-CE2 4.4Å; I193-F195 HydrophobicContact CG2-CD2 4.25Å; I193-F195 HydrophobicContact CG2-CE2 4.08Å; I193-F195 HydrophobicContact CG2-CZ 4.22Å; I193-F195 WeakPolarHBondContact O-CD2 3.36Å; I193-F195 PolarHBondContact O-N 3.24Å | ||
| 194 | S | 26.5 | Very low | 33.4 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | trans | -64.2 | 97.7 | 164 | 60.8 | 0 | 0 | 0 | 0 | 106.7 | D192 T196 | D192-S194 PolarHBondContact O-N 3.41Å; S194-T196 VanDerWaalsContact C-N 3.32Å; S194-T196 PolarHBondContact O-N 2.84Å | ||
| 195 | F | 29.4 | Very low | 34.4 | Very low | 180 Ų | 180 | 133.6 Ų | 133.6 | 79% | 0.789 | 75% | 0.745 | S | S | * | * | trans | -58.5 | 98.8 | 168.3 | -74.1 | -88.7 | 0 | 0 | 0 | 107.6 | I193 T197 | I193-F195 VanDerWaalsContact C-N 3.28Å; I193-F195 HydrophobicContact CB-CE2 4.4Å; I193-F195 HydrophobicContact CG2-CD2 4.25Å; I193-F195 HydrophobicContact CG2-CE2 4.08Å; I193-F195 HydrophobicContact CG2-CZ 4.22Å; I193-F195 WeakPolarHBondContact O-CD2 3.36Å; I193-F195 PolarHBondContact O-N 3.24Å; F195-T197 PolarHBondContact O-N 3.25Å; F195-T197 VanDerWaalsContact O-N 3.11Å | ||
| 196 | T | 27 | Very low | 36.3 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | -62.9 | 115.6 | 164.2 | 38.3 | 0 | 0 | 0 | 0 | 106.7 | S194 K198 | S194-T196 VanDerWaalsContact C-N 3.32Å; S194-T196 PolarHBondContact O-N 2.84Å; T196-K198 PolarHBondContact O-N 2.92Å | ||
| 197 | T | 30.9 | Very low | 38.3 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 88% | 0.877 | 70% | 0.702 | S | S | * | * | trans | -48.9 | 103.8 | 169.6 | 10 | 0 | 0 | 0 | 0 | 108 | F195 L199 | F195-T197 PolarHBondContact O-N 3.25Å; F195-T197 VanDerWaalsContact O-N 3.11Å; T197-L199 PolarHBondContact O-N 2.03Å; T197-L199 VanDerWaalsContact O-N 3.13Å | ||
| 198 | K | 30 | Very low | 39.7 | Very low | 193 Ų | 193 | 125.8 Ų | 125.8 | 84% | 0.839 | 69% | 0.694 | S | S | * | * | trans | -67.3 | 113.4 | 172 | -127.3 | -179.1 | -176.8 | 179.3 | 0 | 106.3 | T196 D200 | T196-K198 PolarHBondContact O-N 2.92Å; K198-D200 PolarHBondContact O-N 2.75Å | ||
| 199 | L | 32.1 | Very low | 41.4 | Very low | 159 Ų | 159 | 121.8 Ų | 121.8 | 83% | 0.832 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 130.2 | 169 | -143 | 85.8 | 0 | 0 | 0 | 109 | T197 I201 | T197-L199 PolarHBondContact O-N 2.03Å; T197-L199 VanDerWaalsContact O-N 3.13Å; L199-I201 PolarHBondContact O-N 3.3Å |
| 200 | D | 32.5 | Very low | 42.4 | Very low | 160 Ų | 160 | 119.1 Ų | 119.1 | 86% | 0.856 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 116.2 | 178.3 | -72.5 | -52.9 | 0 | 0 | 0 | 111.5 | K198 | K198-D200 PolarHBondContact O-N 2.75Š|
| 201 | I | 29.2 | Very low | 44.4 | Very low | 149 Ų | 149 | 112.3 Ų | 112.3 | 76% | 0.764 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -97.3 | 127 | 164.2 | -60 | 170.2 | 0 | 0 | 0 | 106.4 | L199 T203 | L199-I201 PolarHBondContact O-N 3.3Å; I201-T203 PolarHBondContact O-N 2.95Å |
| 202 | P | 38.8 | Very low | 47 | Very low | 110 Ų | 110 | 109.9 Ų | 109.9 | 71% | 0.714 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 127.5 | 179.9 | -16.3 | 28.9 | 0 | 0 | 0 | 112.5 | ||
| 203 | T | 42 | Very low | 49.8 | Very low | 113 Ų | 113 | 102.4 Ų | 102.4 | 69% | 0.693 | 56% | 0.564 | S | S | * | * | trans | 51.3 | 90.2 | 142 | 50.6 | 0 | 0 | 0 | 0 | 119.6 | I201 | I201-T203 PolarHBondContact O-N 2.95Š| ||
| 204 | T | 43.3 | Very low | 52.8 | Low | 105 Ų | 105 | 98.5 Ų | 98.5 | 64% | 0.644 | 54% | 0.543 | S | S | * | . | trans | -89.3 | 107.7 | 134.2 | 52.2 | 0 | 0 | 0 | 0 | 107.9 | K206 | T204-K206 VanDerWaalsContact C-N 3.33Å; T204-K206 PolarHBondContact O-N 2.8Å | ||
| 205 | A | 64.9 | Low | 55.8 | Low | 58 Ų | 58 | 94.5 Ų | 94.5 | 48% | 0.479 | 51% | 0.514 | S | S | . | . | trans | -66.8 | 84.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | A275 | A205-A275 HydrophobicContact CB-CB 4.38Š| ||
| 206 | K | 75 | Confident | 58.3 | Low | 97 Ų | 97 | 88.5 Ų | 88.5 | 42% | 0.422 | 49% | 0.494 | S | S | . | . | trans | -146.2 | 144.5 | 172 | 62.6 | 177.9 | -178.9 | 179.8 | 0 | 110.8 | T204 K208 P276 R336 | T204-K206 VanDerWaalsContact C-N 3.33Å; T204-K206 PolarHBondContact O-N 2.8Å; K206-K208 PolarHBondContact O-N 3.15Å; K206-P276 WeakPolarHBondContact O-CG 3.14Å; K206-R336 WeakPolarHBondContact CB-O 3.48Å | ||
| 207 | Y | 74.7 | Confident | 60.9 | Low | 5 Ų | 5 | 89.9 Ų | 89.9 | 2% | 0.02 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 133.8 | 169.3 | -74.9 | -77.2 | 0 | 0 | 0 | 109.3 | L213 Q214 F239 L273 A275 P276 G337 V339 | Y207-L213 HydrophobicContact CE1-CD2 4.32Å; Y207-L213 HydrophobicContact CE2-CD2 4.35Å; Y207-Q214 HydrophobicContact CE1-CG 4.44Å; Y207-Q214 PolarHBondContact OH-N 3.35Å; Y207-F239 VanDerWaalsContact CB-CG 3.43Å; Y207-F239 HydrophobicContact CD1-CB 4.39Å; Y207-F239 HydrophobicContact CG-CB 4.38Å; Y207-F239 HydrophobicContact CG-CD1 4.36Å; Y207-F239 HydrophobicContact CG-CD2 4.3Å; Y207-F239 HydrophobicContact CG-CG 4.11Å; Y207-F239 WeakPolarHBondContact O-CE1 3.4Å; Y207-L273 WeakPolarHBondContact CE2-O 3.33Å; Y207-L273 PolarHBondContact OH-O 3.19Å; Y207-A275 VanDerWaalsContact CE2-CA 3.49Å; Y207-P276 HydrophobicContact CD1-CG 3.74Å; Y207-P276 HydrophobicContact CD2-CG 4.49Å; Y207-P276 HydrophobicContact CE1-CG 3.96Å; Y207-P276 HydrophobicContact CG-CG 4.02Å; Y207-P276 VanDerWaalsContact N-CD 3.35Å; Y207-G337 PolarHBondContact N-O 3.2Å; Y207-V339 HydrophobicContact CD2-CG2 4.1Å; Y207-V339 HydrophobicContact CE2-CG2 4.13Å |
| 208 | K | 64.9 | Low | 63.6 | Low | 128 Ų | 128 | 85.3 Ų | 85.3 | 56% | 0.557 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -100.1 | 150.7 | 171.1 | -61.5 | 177.6 | -175.9 | 173.4 | 0 | 108 | K206 G210 V211 | K206-K208 PolarHBondContact O-N 3.15Å; K208-G210 PolarHBondContact O-N 2.83Å; K208-V211 HydrophobicContact CB-CG2 3.85Å; K208-V211 VanDerWaalsContact O-CB 3.32Å; K208-V211 WeakPolarHBondContact O-CB 3.42Å; K208-V211 WeakPolarHBondContact O-CG2 3.08Å; K208-V211 PolarHBondContact O-N 3.28Å; K208-V211 VanDerWaalsContact O-N 3.13Å |
| 209 | Y | 68.2 | Low | 66.5 | Low | 57 Ų | 57 | 79.2 Ų | 79.2 | 22% | 0.224 | 44% | 0.444 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | 137.6 | 175 | 176.4 | -81 | 0 | 0 | 0 | 110.8 | V211 F239 L240 V241 P394 I401 | Y209-V211 PolarHBondContact O-N 3.43Å; Y209-F239 WeakPolarHBondContact CA-O 3.15Å; Y209-L240 HydrophobicContact CD2-CB 3.57Å; Y209-L240 HydrophobicContact CE2-CB 4.23Å; Y209-L240 WeakPolarHBondContact CE2-O 3.38Å; Y209-L240 HydrophobicContact CG-CB 4.44Å; Y209-V241 HydrophobicContact CE1-CG2 4.07Å; Y209-V241 HydrophobicContact CE2-CG2 4.02Å; Y209-P394 HydrophobicContact CD1-CB 4.23Å; Y209-P394 HydrophobicContact CE1-CB 3.67Å; Y209-I401 HydrophobicContact CD1-CD1 3.22Å; Y209-I401 HydrophobicContact CD1-CG1 3.58Å; Y209-I401 HydrophobicContact CD2-CB 4.34Å; Y209-I401 HydrophobicContact CD2-CD1 4.11Å; Y209-I401 HydrophobicContact CD2-CG1 3.74Å; Y209-I401 HydrophobicContact CD2-CG2 3.8Å; Y209-I401 HydrophobicContact CE1-CD1 3.75Å; Y209-I401 HydrophobicContact CE1-CG1 3.7Å; Y209-I401 HydrophobicContact CE2-CG1 3.85Å; Y209-I401 HydrophobicContact CE2-CG2 4.45Å; Y209-I401 HydrophobicContact CG-CB 4.45Å; Y209-I401 HydrophobicContact CG-CD1 3.44Å; Y209-I401 VanDerWaalsContact CG-CD1 3.44Å; Y209-I401 HydrophobicContact CG-CG1 3.62Å; Y209-I401 HydrophobicContact CG-CG2 3.99Å |
| 210 | G | 54.3 | Low | 69.4 | Low | 32 Ų | 32 | 71.7 Ų | 71.7 | 33% | 0.33 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -9.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | K208 F239 | K208-G210 PolarHBondContact O-N 2.83Å; G210-F239 PolarHBondContact N-O 3.37Å |
| 211 | V | 77.1 | Confident | 72.2 | Confident | 53 Ų | 53 | 68.7 Ų | 68.7 | 32% | 0.321 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 132.8 | 175.9 | 178.7 | 0 | 0 | 0 | 0 | 109 | K208 Y209 L213 F239 | K208-V211 HydrophobicContact CB-CG2 3.85Å; K208-V211 VanDerWaalsContact O-CB 3.32Å; K208-V211 WeakPolarHBondContact O-CB 3.42Å; K208-V211 WeakPolarHBondContact O-CG2 3.08Å; K208-V211 PolarHBondContact O-N 3.28Å; K208-V211 VanDerWaalsContact O-N 3.13Å; Y209-V211 PolarHBondContact O-N 3.43Å; V211-L213 PolarHBondContact O-N 3.43Å; V211-F239 WeakPolarHBondContact O-CB 3.29Å; V211-F239 PolarHBondContact O-N 2.83Å |
| 212 | P | 85.7 | Confident | 75.1 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 33% | 0.331 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -53.1 | 131.5 | 174.4 | -29.1 | 37 | 0 | 0 | 0 | 112.2 | Q214 F219 P236 A237 | P212-Q214 PolarHBondContact O-N 3.32Å; P212-F219 HydrophobicContact CB-CB 4.18Å; P212-P236 HydrophobicContact CB-CB 3.95Å; P212-P236 HydrophobicContact CG-CB 4.13Å; P212-P236 HydrophobicContact CG-CG 4.5Å; P212-A237 CarbonylContact C-O 3.6Å; P212-A237 WeakPolarHBondContact CA-O 3.2Å |
| 213 | L | 90.1 | Very high | 77.6 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 119.8 | 169.4 | -75.2 | 167.6 | 0 | 0 | 0 | 108.7 | Y207 V211 F219 L220 A237 F239 I272 L331 V339 I364 F366 | Y207-L213 HydrophobicContact CE1-CD2 4.32Å; Y207-L213 HydrophobicContact CE2-CD2 4.35Å; V211-L213 PolarHBondContact O-N 3.43Å; L213-F219 CarbonylContact O-C 3.54Å; L213-F219 WeakPolarHBondContact O-CA 3.39Å; L213-F219 VanDerWaalsContact O-CB 3.27Å; L213-F219 WeakPolarHBondContact O-CB 3.38Å; L213-L220 HydrophobicContact CB-CB 3.9Å; L213-L220 HydrophobicContact CD1-CB 4.49Å; L213-L220 HydrophobicContact CD1-CD2 3.74Å; L213-L220 PolarHBondContact O-N 3.28Å; L213-A237 HydrophobicContact CD1-CB 4.12Å; L213-A237 PolarHBondContact N-O 3.31Å; L213-F239 HydrophobicContact CD2-CB 4.2Å; L213-F239 HydrophobicContact CD2-CD2 3.86Å; L213-F239 HydrophobicContact CD2-CG 4.48Å; L213-F239 HydrophobicContact CG-CB 4.43Å; L213-I272 HydrophobicContact CB-CG2 4.48Å; L213-I272 HydrophobicContact CD2-CG2 4.18Å; L213-L331 HydrophobicContact CD1-CD2 3.46Å; L213-L331 VanDerWaalsContact CD1-CD2 3.46Å; L213-L331 HydrophobicContact CD2-CD2 4.29Å; L213-V339 HydrophobicContact CD2-CG2 3.94Å; L213-I364 HydrophobicContact CD1-CD1 4.39Å; L213-F366 HydrophobicContact CD1-CE1 3.99Å; L213-F366 HydrophobicContact CD1-CZ 3.91Å |
| 214 | Q | 91.3 | Very high | 79.7 | Confident | 51 Ų | 51 | 51.4 Ų | 51.4 | 24% | 0.238 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -82.1 | 143.7 | -177.9 | -67.3 | 178.7 | -22 | 0 | 0 | 110.6 | Y207 P212 L273 P276 | Y207-Q214 HydrophobicContact CE1-CG 4.44Å; Y207-Q214 PolarHBondContact OH-N 3.35Å; P212-Q214 PolarHBondContact O-N 3.32Å; Q214-L273 HydrophobicContact CB-CB 4.42Å; Q214-L273 HydrophobicContact CB-CD1 3.83Å; Q214-L273 HydrophobicContact CB-CG 4.15Å; Q214-L273 PolarHBondContact O-N 3.33Å; Q214-P276 VanDerWaalsContact OE1-CA 3.3Å |
| 215 | T | 89.9 | Confident | 81.6 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 9% | 0.086 | 27% | 0.266 | C | S | . | . | B | Isolated β-bridge | trans | -119.7 | 172.8 | 169.4 | 59.3 | 0 | 0 | 0 | 0 | 109 | D217 S218 F219 L220 P270 E271 | T215-D217 PolarHBondContact O-N 3.23Å; T215-D217 VanDerWaalsContact O-N 3.16Å; T215-S218 PolarHBondContact N-O 3.17Å; T215-S218 VanDerWaalsContact OG1-C 3.22Å; T215-S218 PolarHBondContact OG1-N 3.06Å; T215-F219 PolarHBondContact OG1-N 3.26Å; T215-F219 PolarHBondContact OG1-O 3.19Å; T215-L220 HydrophobicContact CG2-CB 4.24Å; T215-P270 HydrophobicContact CG2-CB 4.05Å; T215-E271 VanDerWaalsContact CA-O 3.29Å; T215-E271 WeakPolarHBondContact CA-O 3.27Å; T215-E271 WeakPolarHBondContact CB-O 3.41Å |
| 216 | S | 82.6 | Confident | 81.9 | Confident | 54 Ų | 54 | 50.8 Ų | 50.8 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -53.9 | -35.7 | -179.8 | -57.6 | 0 | 0 | 0 | 0 | 113.4 | K281 | S216-K281 WeakPolarHBondContact OG-CE 3.04Å; S216-K281 PolarHBondContact OG-NZ 2.81Å |
| 217 | D | 80.9 | Confident | 81.6 | Confident | 156 Ų | 156 | 53.4 Ų | 53.4 | 83% | 0.834 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -108.9 | -19.6 | -171.9 | -51.6 | -48 | 0 | 0 | 0 | 113.1 | T215 | T215-D217 PolarHBondContact O-N 3.23Å; T215-D217 VanDerWaalsContact O-N 3.16Å |
| 218 | S | 87.8 | Confident | 81.7 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 32% | 0.322 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -169.1 | -107.4 | 178.1 | 54.9 | 0 | 0 | 0 | 0 | 111.8 | T215 | T215-S218 PolarHBondContact N-O 3.17Å; T215-S218 VanDerWaalsContact OG1-C 3.22Å; T215-S218 PolarHBondContact OG1-N 3.06Å |
| 219 | F | 91 | Very high | 82.5 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 29% | 0.289 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -137.1 | 162.7 | 179.9 | 48 | -99.2 | 0 | 0 | 0 | 109.9 | P212 L213 T215 R221 N234 P236 | P212-F219 HydrophobicContact CB-CB 4.18Å; L213-F219 CarbonylContact O-C 3.54Å; L213-F219 WeakPolarHBondContact O-CA 3.39Å; L213-F219 VanDerWaalsContact O-CB 3.27Å; L213-F219 WeakPolarHBondContact O-CB 3.38Å; T215-F219 PolarHBondContact OG1-N 3.26Å; T215-F219 PolarHBondContact OG1-O 3.19Å; F219-R221 HydrophobicContact CD2-CG 4.43Å; F219-R221 HydrophobicContact CE2-CG 4.3Å; F219-R221 PolarHBondContact O-N 3.18Å; F219-N234 WeakPolarHBondContact CE2-O 3.21Å; F219-N234 WeakPolarHBondContact CZ-O 3.38Å; F219-P236 HydrophobicContact CB-CB 4.4Å; F219-P236 HydrophobicContact CD2-CB 3.51Å; F219-P236 HydrophobicContact CE2-CB 3.78Å; F219-P236 HydrophobicContact CE2-CG 4.46Å; F219-P236 HydrophobicContact CG-CB 3.89Å; F219-P236 HydrophobicContact CZ-CB 4.4Å |
| 220 | L | 93.2 | Very high | 83.4 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | trans | -66.7 | 118.6 | 173.3 | -178.3 | 68.4 | 0 | 0 | 0 | 108.5 | L213 T215 A237 P270 I272 I284 Y329 I364 | L213-L220 HydrophobicContact CB-CB 3.9Å; L213-L220 HydrophobicContact CD1-CB 4.49Å; L213-L220 HydrophobicContact CD1-CD2 3.74Å; L213-L220 PolarHBondContact O-N 3.28Å; T215-L220 HydrophobicContact CG2-CB 4.24Å; L220-A237 HydrophobicContact CB-CB 4.02Å; L220-A237 HydrophobicContact CD2-CB 3.83Å; L220-A237 HydrophobicContact CG-CB 4.01Å; L220-A237 WeakPolarHBondContact O-CB 3.45Å; L220-A237 PolarHBondContact O-N 3Å; L220-P270 HydrophobicContact CD1-CB 4.37Å; L220-I272 HydrophobicContact CD1-CD1 4.31Å; L220-I272 HydrophobicContact CD1-CG1 4.38Å; L220-I272 HydrophobicContact CD2-CD1 3.84Å; L220-I284 HydrophobicContact CD1-CD1 3.9Å; L220-Y329 HydrophobicContact CD1-CE1 4.07Å; L220-Y329 HydrophobicContact CD2-CD1 4.35Å; L220-Y329 HydrophobicContact CD2-CE1 4.27Å; L220-I364 HydrophobicContact CD2-CD1 4.32Å | ||
| 221 | R | 91.6 | Very high | 85 | Confident | 97 Ų | 97 | 53.8 Ų | 53.8 | 37% | 0.366 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -80.5 | 126.5 | 180 | -66.6 | -174.5 | -170.7 | -167.7 | 8 | 109.9 | F219 D233 N234 | F219-R221 HydrophobicContact CD2-CG 4.43Å; F219-R221 HydrophobicContact CE2-CG 4.3Å; F219-R221 PolarHBondContact O-N 3.18Å; R221-D233 WeakPolarHBondContact CB-O 3.35Å; R221-N234 PolarHBondContact NH1-OD1 3.44Å |
| 222 | F | 90.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | trans | -132 | 98.1 | 180 | -178.7 | -99.8 | 0 | 0 | 0 | 110 | S224 N235 A237 Q243 V245 Y329 F362 I364 | F222-S224 PolarHBondContact O-N 3.02Å; F222-N235 PolarHBondContact N-O 2.95Å; F222-N235 VanDerWaalsContact O-CB 3.27Å; F222-N235 WeakPolarHBondContact O-CB 3.26Å; F222-N235 PolarHBondContact O-ND2 3.12Å; F222-A237 HydrophobicContact CB-CB 3.82Å; F222-Q243 HydrophobicContact CE1-CB 3.89Å; F222-Q243 HydrophobicContact CZ-CB 4.14Å; F222-V245 HydrophobicContact CE1-CG2 4.06Å; F222-Y329 HydrophobicContact CD2-CD2 4.1Å; F222-Y329 HydrophobicContact CD2-CE2 4.28Å; F222-Y329 HydrophobicContact CE2-CD2 4.34Å; F222-F362 HydrophobicContact CD2-CB 4.43Å; F222-F362 HydrophobicContact CE1-CB 4.4Å; F222-F362 HydrophobicContact CE2-CB 3.7Å; F222-F362 HydrophobicContact CZ-CB 3.68Å; F222-I364 HydrophobicContact CD2-CB 4.21Å; F222-I364 HydrophobicContact CD2-CG2 4.16Å; F222-I364 HydrophobicContact CE1-CG2 4.29Å; F222-I364 HydrophobicContact CE2-CB 3.81Å; F222-I364 HydrophobicContact CE2-CG2 3.75Å; F222-I364 HydrophobicContact CZ-CB 4.33Å; F222-I364 HydrophobicContact CZ-CG2 3.82Å | ||
| 223 | P | 91.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -58.1 | 137 | -174.6 | -24.7 | 33.1 | 0 | 0 | 0 | 113.5 | T232 D233 Y267 F362 | P223-T232 WeakPolarHBondContact CA-O 3.37Å; P223-D233 HydrophobicContact CG-CB 4.39Å; P223-Y267 HydrophobicContact CG-CE1 3.76Å; P223-F362 HydrophobicContact CB-CD1 4.4Å; P223-F362 HydrophobicContact CB-CD2 4.02Å; P223-F362 HydrophobicContact CB-CE1 4.22Å; P223-F362 HydrophobicContact CB-CE2 3.79Å; P223-F362 HydrophobicContact CB-CG 4.33Å; P223-F362 HydrophobicContact CB-CZ 3.91Å; P223-F362 HydrophobicContact CG-CD1 4.2Å; P223-F362 HydrophobicContact CG-CE1 3.91Å; P223-F362 HydrophobicContact CG-CE2 4.36Å; P223-F362 HydrophobicContact CG-CZ 3.99Å | ||
| 224 | S | 86.3 | Confident | 85.5 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 161.8 | 178.4 | 68.4 | 0 | 0 | 0 | 0 | 112.7 | F222 T232 N235 | F222-S224 PolarHBondContact O-N 3.02Å; S224-T232 PolarHBondContact N-O 2.95Å; S224-T232 PolarHBondContact O-N 2.03Å; S224-N235 PolarHBondContact OG-ND2 3.47Å |
| 225 | S | 82.3 | Confident | 85.3 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 33% | 0.329 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 106.6 | 168.2 | 55.9 | 0 | 0 | 0 | 0 | 108.9 | S228 | S225-S228 VanDerWaalsContact CB-O 3.26Å; S225-S228 WeakPolarHBondContact CB-O 3.36Å |
| 226 | L | 71.4 | Confident | 85.3 | Confident | 103 Ų | 103 | 57.9 Ų | 57.9 | 54% | 0.539 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -85.6 | -88.6 | 179.5 | -65.2 | 174.6 | 0 | 0 | 0 | 110.8 | T232 | L226-T232 HydrophobicContact CD1-CG2 4.01Š|
| 227 | T | 67.7 | Low | 85.4 | Confident | 151 Ų | 151 | 55.4 Ų | 55.4 | 93% | 0.926 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -94.6 | -8.7 | -177.3 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 228 | S | 77.1 | Confident | 85.4 | Confident | 57 Ų | 57 | 48.7 Ų | 48.7 | 40% | 0.399 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -139.6 | 171.4 | 178.9 | 73.1 | 0 | 0 | 0 | 0 | 109.9 | S225 L230 | S225-S228 VanDerWaalsContact CB-O 3.26Å; S225-S228 WeakPolarHBondContact CB-O 3.36Å; S228-L230 PolarHBondContact O-N 3.26Å; S228-L230 WeakPolarHBondContact OG-CB 3.43Å; S228-L230 PolarHBondContact OG-N 2.98Å |
| 229 | S | 81.9 | Confident | 85.2 | Confident | 85 Ų | 85 | 46.6 Ų | 46.6 | 59% | 0.594 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -70.3 | -2.8 | 173 | 55.6 | 0 | 0 | 0 | 0 | 113.8 | T248 | S229-T248 WeakPolarHBondContact O-CB 3.4Å; S229-T248 PolarHBondContact O-N 2.94Å; S229-T248 PolarHBondContact O-OG1 3.43Å |
| 230 | L | 86.8 | Confident | 84.2 | Confident | 69 Ų | 69 | 45.6 Ų | 45.6 | 36% | 0.361 | 27% | 0.265 | S | S | . | . | B | Isolated β-bridge | trans | -81 | 141.1 | -179.5 | -64.2 | 168.1 | 0 | 0 | 0 | 112.3 | S228 T232 T248 K250 | S228-L230 PolarHBondContact O-N 3.26Å; S228-L230 WeakPolarHBondContact OG-CB 3.43Å; S228-L230 PolarHBondContact OG-N 2.98Å; L230-T232 PolarHBondContact O-N 2.84Å; L230-T248 CarbonylContact C-O 3.52Å; L230-T248 WeakPolarHBondContact CA-O 3.46Å; L230-K250 HydrophobicContact CD2-CG 4.22Å |
| 231 | C | 88.8 | Confident | 83.1 | Confident | 20 Ų | 20 | 46.8 Ų | 46.8 | 14% | 0.135 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 129.3 | 175.1 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | C247 T248 | C231-C247 WeakPolarHBondContact CA-SG 3.14Å; C231-C247 HydrophobicContact CB-CB 3.9Å; C231-C247 WeakPolarHBondContact CB-SG 3.36Å; C231-C247 WeakPolarHBondContact SG-CB 3.02Å; C231-C247 CovalentContact SG-SG 2.03Å; C231-C247 PolarHBondContact SG-SG 2.8Å; C231-T248 PolarHBondContact N-O 2.89Å |
| 232 | T | 89.4 | Confident | 82.1 | Confident | 55 Ų | 55 | 46.4 Ų | 46.4 | 34% | 0.337 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 114.7 | 168.3 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | P223 S224 L226 L230 | P223-T232 WeakPolarHBondContact CA-O 3.37Å; S224-T232 PolarHBondContact N-O 2.95Å; S224-T232 PolarHBondContact O-N 2.03Å; L226-T232 HydrophobicContact CD1-CG2 4.01Å; L230-T232 PolarHBondContact O-N 2.84Å |
| 233 | D | 88.8 | Confident | 81.2 | Confident | 31 Ų | 31 | 48.7 Ų | 48.7 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -19.6 | -171.2 | -49.9 | -49.5 | 0 | 0 | 0 | 114.1 | R221 P223 N235 R249 F266 | R221-D233 WeakPolarHBondContact CB-O 3.35Å; P223-D233 HydrophobicContact CG-CB 4.39Å; D233-N235 PolarHBondContact O-N 2.79Å; D233-R249 IonicContact OD1-CZ 3.44Å; D233-R249 IonicContact OD1-NH1 3.56Å; D233-R249 PolarHBondContact OD1-NH1 2.66Å; D233-R249 IonicContact OD1-NH2 3.45Å; D233-R249 IonicContact OD2-CZ 2.76Å; D233-R249 IonicContact OD2-NH1 3.63Å; D233-R249 PolarHBondContact OD2-NH1 3.14Å; D233-R249 IonicContact OD2-NH2 3.5Å; D233-R249 PolarHBondContact OD2-NH2 3.02Å; D233-F266 HydrophobicContact CB-CE1 4.25Å; D233-F266 HydrophobicContact CB-CZ 3.89Å |
| 234 | N | 85.3 | Confident | 80.7 | Confident | 95 Ų | 95 | 52 Ų | 52 | 51% | 0.508 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 16.8 | -177.5 | -70.3 | -24.2 | 0 | 0 | 0 | 113.9 | F219 R221 | F219-N234 WeakPolarHBondContact CE2-O 3.21Å; F219-N234 WeakPolarHBondContact CZ-O 3.38Å; R221-N234 PolarHBondContact NH1-OD1 3.44Å |
| 235 | N | 86.6 | Confident | 80.5 | Confident | 28 Ų | 28 | 52.8 Ų | 52.8 | 15% | 0.15 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 125.3 | 177.7 | 172.9 | 57.4 | 0 | 0 | 0 | 110.3 | F222 S224 D233 | F222-N235 PolarHBondContact N-O 2.95Å; F222-N235 VanDerWaalsContact O-CB 3.27Å; F222-N235 WeakPolarHBondContact O-CB 3.26Å; F222-N235 PolarHBondContact O-ND2 3.12Å; S224-N235 PolarHBondContact OG-ND2 3.47Å; D233-N235 PolarHBondContact O-N 2.79Å |
| 236 | P | 89.3 | Confident | 80.8 | Confident | 46 Ų | 46 | 58 Ų | 58 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -73.4 | 134.1 | -178.2 | 26.5 | -32.8 | 0 | 0 | 0 | 112.5 | P212 F219 A238 | P212-P236 HydrophobicContact CB-CB 3.95Å; P212-P236 HydrophobicContact CG-CB 4.13Å; P212-P236 HydrophobicContact CG-CG 4.5Å; F219-P236 HydrophobicContact CB-CB 4.4Å; F219-P236 HydrophobicContact CD2-CB 3.51Å; F219-P236 HydrophobicContact CE2-CB 3.78Å; F219-P236 HydrophobicContact CE2-CG 4.46Å; F219-P236 HydrophobicContact CG-CB 3.89Å; F219-P236 HydrophobicContact CZ-CB 4.4Å; P236-A238 PolarHBondContact O-N 2.91Å |
| 237 | A | 85.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 120.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | P212 L213 L220 F222 I364 | P212-A237 CarbonylContact C-O 3.6Å; P212-A237 WeakPolarHBondContact CA-O 3.2Å; L213-A237 HydrophobicContact CD1-CB 4.12Å; L213-A237 PolarHBondContact N-O 3.31Å; L220-A237 HydrophobicContact CB-CB 4.02Å; L220-A237 HydrophobicContact CD2-CB 3.83Å; L220-A237 HydrophobicContact CG-CB 4.01Å; L220-A237 WeakPolarHBondContact O-CB 3.45Å; L220-A237 PolarHBondContact O-N 3Å; F222-A237 HydrophobicContact CB-CB 3.82Å; A237-I364 HydrophobicContact CB-CD1 3.98Å |
| 238 | A | 79.9 | Confident | 82.7 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -93.2 | 135.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P236 L240 V241 F366 | P236-A238 PolarHBondContact O-N 2.91Å; A238-L240 PolarHBondContact O-N 3.45Å; A238-V241 HydrophobicContact CB-CB 4.05Å; A238-V241 HydrophobicContact CB-CG2 3.56Å; A238-V241 PolarHBondContact O-N 3.23Å; A238-F366 WeakPolarHBondContact O-CE2 3.28Å; A238-F366 VanDerWaalsContact O-CZ 3.31Å; A238-F366 WeakPolarHBondContact O-CZ 3.38Å |
| 239 | F | 83.3 | Confident | 83.3 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 133.8 | -179.7 | -177.4 | -113.7 | 0 | 0 | 0 | 111.7 | Y207 Y209 G210 V211 L213 V241 Y333 V339 F366 | Y207-F239 VanDerWaalsContact CB-CG 3.43Å; Y207-F239 HydrophobicContact CD1-CB 4.39Å; Y207-F239 HydrophobicContact CG-CB 4.38Å; Y207-F239 HydrophobicContact CG-CD1 4.36Å; Y207-F239 HydrophobicContact CG-CD2 4.3Å; Y207-F239 HydrophobicContact CG-CG 4.11Å; Y207-F239 WeakPolarHBondContact O-CE1 3.4Å; Y209-F239 WeakPolarHBondContact CA-O 3.15Å; G210-F239 PolarHBondContact N-O 3.37Å; V211-F239 WeakPolarHBondContact O-CB 3.29Å; V211-F239 PolarHBondContact O-N 2.83Å; L213-F239 HydrophobicContact CD2-CB 4.2Å; L213-F239 HydrophobicContact CD2-CD2 3.86Å; L213-F239 HydrophobicContact CD2-CG 4.48Å; L213-F239 HydrophobicContact CG-CB 4.43Å; F239-V241 PolarHBondContact O-N 3.33Å; F239-Y333 HydrophobicContact CE2-CG 4.15Å; F239-Y333 AromaticContact CZ-CD2 3.83Å; F239-Y333 HydrophobicContact CZ-CD2 3.83Å; F239-Y333 AromaticContact CZ-CG 3.91Å; F239-Y333 HydrophobicContact CZ-CG 3.91Å; F239-V339 HydrophobicContact CD2-CG2 4.21Å; F239-V339 HydrophobicContact CE2-CG2 3.88Å; F239-F366 HydrophobicContact CD2-CD1 4.05Å; F239-F366 AromaticContact CD2-CE1 3.7Å; F239-F366 HydrophobicContact CD2-CE1 3.7Å; F239-F366 HydrophobicContact CE2-CD1 4.21Å; F239-F366 HydrophobicContact CE2-CE1 4.28Å |
| 240 | L | 70.1 | Confident | 83.5 | Confident | 45 Ų | 45 | 50.2 Ų | 50.2 | 24% | 0.236 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | 13.1 | -176.8 | -57.4 | 179.2 | 0 | 0 | 0 | 115.9 | Y209 A238 Y333 F366 | Y209-L240 HydrophobicContact CD2-CB 3.57Å; Y209-L240 HydrophobicContact CE2-CB 4.23Å; Y209-L240 WeakPolarHBondContact CE2-O 3.38Å; Y209-L240 HydrophobicContact CG-CB 4.44Å; A238-L240 PolarHBondContact O-N 3.45Å; L240-Y333 HydrophobicContact CD1-CE2 4.47Å; L240-Y333 HydrophobicContact CD2-CD1 3.78Å; L240-Y333 HydrophobicContact CD2-CD2 4.15Å; L240-Y333 HydrophobicContact CD2-CE1 3.3Å; L240-Y333 HydrophobicContact CD2-CE2 3.75Å; L240-Y333 HydrophobicContact CD2-CG 4.19Å; L240-F366 HydrophobicContact CD2-CB 3.84Å; L240-F366 HydrophobicContact CD2-CD1 4.27Å; L240-F366 HydrophobicContact CD2-CG 4.1Å |
| 241 | V | 70.1 | Confident | 83.5 | Confident | 27 Ų | 27 | 47.7 Ų | 47.7 | 16% | 0.164 | 25% | 0.251 | C | S | . | . | trans | -98.7 | 94.5 | 172.9 | -167.8 | 0 | 0 | 0 | 0 | 108.2 | Y209 A238 F239 Q243 | Y209-V241 HydrophobicContact CE1-CG2 4.07Å; Y209-V241 HydrophobicContact CE2-CG2 4.02Å; A238-V241 HydrophobicContact CB-CB 4.05Å; A238-V241 HydrophobicContact CB-CG2 3.56Å; A238-V241 PolarHBondContact O-N 3.23Å; F239-V241 PolarHBondContact O-N 3.33Å; V241-Q243 HydrophobicContact CG1-CG 3.85Å; V241-Q243 VanDerWaalsContact CG1-NE2 3.26Å; V241-Q243 PolarHBondContact O-N 2.67Å | ||
| 242 | N | 70.7 | Confident | 83.4 | Confident | 88 Ų | 88 | 50.5 Ų | 50.5 | 47% | 0.471 | 27% | 0.265 | S | S | . | . | trans | -65.2 | 129 | 172.2 | -66 | -21.2 | 0 | 0 | 0 | 108.9 | I364 H365 F366 | N242-I364 VanDerWaalsContact CA-O 3.29Å; N242-I364 WeakPolarHBondContact CA-O 3.03Å; N242-H365 WeakPolarHBondContact OD1-CA 3.33Å; N242-F366 WeakPolarHBondContact OD1-CD2 3.03Å; N242-F366 PolarHBondContact OD1-N 3.19Å | ||
| 243 | Q | 71.6 | Confident | 83.1 | Confident | 49 Ų | 49 | 48.7 Ų | 48.7 | 23% | 0.229 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 143 | -177.4 | -60.6 | 175.9 | 17 | 0 | 0 | 109.9 | F222 V241 V245 E363 I364 | F222-Q243 HydrophobicContact CE1-CB 3.89Å; F222-Q243 HydrophobicContact CZ-CB 4.14Å; V241-Q243 HydrophobicContact CG1-CG 3.85Å; V241-Q243 VanDerWaalsContact CG1-NE2 3.26Å; V241-Q243 PolarHBondContact O-N 2.67Å; Q243-V245 HydrophobicContact CB-CG2 4.4Å; Q243-E363 CarbonylContact O-C 3.45Å; Q243-E363 VanDerWaalsContact O-CA 3.24Å; Q243-E363 WeakPolarHBondContact O-CA 3.23Å; Q243-I364 HydrophobicContact CB-CG2 3.9Å; Q243-I364 HydrophobicContact CG-CG2 4.43Å; Q243-I364 PolarHBondContact N-O 3.14Å; Q243-I364 PolarHBondContact O-N 2.82Å |
| 244 | A | 82.1 | Confident | 82.8 | Confident | 69 Ų | 69 | 53.5 Ų | 53.5 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 108.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | F362 E363 | A244-F362 CarbonylContact C-O 3.48Å; A244-F362 WeakPolarHBondContact CA-O 3.45Å; A244-E363 HydrophobicContact CB-CG 3.91Å |
| 245 | V | 81.9 | Confident | 82.8 | Confident | 25 Ų | 25 | 53.5 Ų | 53.5 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 143.8 | -171.7 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | F222 Q243 K361 F362 | F222-V245 HydrophobicContact CE1-CG2 4.06Å; Q243-V245 HydrophobicContact CB-CG2 4.4Å; V245-K361 CarbonylContact O-C 3.53Å; V245-K361 WeakPolarHBondContact O-CA 3.34Å; V245-F362 PolarHBondContact N-O 3.37Å; V245-F362 PolarHBondContact O-N 3.16Å |
| 246 | R | 87.9 | Confident | 82.8 | Confident | 158 Ų | 158 | 52.1 Ų | 52.1 | 60% | 0.596 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 129.9 | 168.9 | -69.2 | 178.6 | 174.7 | 158 | -1.3 | 108.4 | Q360 K361 | R246-Q360 WeakPolarHBondContact CA-O 3.28Å; R246-K361 HydrophobicContact CG-CB 4.24Å; R246-K361 HydrophobicContact CG-CD 4.46Å; R246-K361 HydrophobicContact CG-CG 4.05Å |
| 247 | C | 89.8 | Confident | 82.7 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 162.4 | 175.8 | 64.5 | 0 | 0 | 0 | 0 | 110.1 | C231 Q359 Q360 F362 | C231-C247 WeakPolarHBondContact CA-SG 3.14Å; C231-C247 HydrophobicContact CB-CB 3.9Å; C231-C247 WeakPolarHBondContact CB-SG 3.36Å; C231-C247 WeakPolarHBondContact SG-CB 3.02Å; C231-C247 CovalentContact SG-SG 2.03Å; C231-C247 PolarHBondContact SG-SG 2.8Å; C247-Q359 WeakPolarHBondContact O-CA 3.36Å; C247-Q360 PolarHBondContact N-O 2.8Å; C247-Q360 PolarHBondContact O-N 2.89Å; C247-F362 VanDerWaalsContact SG-CE2 3.58Å |
| 248 | T | 90.4 | Very high | 82.9 | Confident | 28 Ų | 28 | 62.8 Ų | 62.8 | 17% | 0.172 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 137.8 | -172.5 | -52.5 | 0 | 0 | 0 | 0 | 109.8 | S229 L230 C231 P357 L358 | S229-T248 WeakPolarHBondContact O-CB 3.4Å; S229-T248 PolarHBondContact O-N 2.94Å; S229-T248 PolarHBondContact O-OG1 3.43Å; L230-T248 CarbonylContact C-O 3.52Å; L230-T248 WeakPolarHBondContact CA-O 3.46Å; C231-T248 PolarHBondContact N-O 2.89Å; T248-P357 HydrophobicContact CG2-CB 3.47Å; T248-P357 VanDerWaalsContact CG2-CB 3.47Å; T248-P357 HydrophobicContact CG2-CG 3.65Å; T248-L358 CarbonylContact C-O 3.57Å; T248-L358 WeakPolarHBondContact CA-O 3.34Å |
| 249 | R | 89.4 | Confident | 83.3 | Confident | 38 Ų | 38 | 63.7 Ų | 63.7 | 14% | 0.143 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.8 | 179.4 | -159.4 | 177.6 | -156 | 103.3 | 8.6 | 110.3 | D233 I251 L358 | D233-R249 IonicContact OD1-CZ 3.44Å; D233-R249 IonicContact OD1-NH1 3.56Å; D233-R249 PolarHBondContact OD1-NH1 2.66Å; D233-R249 IonicContact OD1-NH2 3.45Å; D233-R249 IonicContact OD2-CZ 2.76Å; D233-R249 IonicContact OD2-NH1 3.63Å; D233-R249 PolarHBondContact OD2-NH1 3.14Å; D233-R249 IonicContact OD2-NH2 3.5Å; D233-R249 PolarHBondContact OD2-NH2 3.02Å; R249-I251 HydrophobicContact CB-CG1 4.31Å; R249-I251 HydrophobicContact CG-CG1 4.14Å; R249-L358 PolarHBondContact N-O 3.39Å; R249-L358 PolarHBondContact O-N 2.97Å |
| 250 | K | 86.7 | Confident | 83.7 | Confident | 164 Ų | 164 | 70 Ų | 70 | 71% | 0.713 | 34% | 0.342 | S | S | * | . | trans | -83.3 | 123.2 | 167.1 | -65.5 | -177.2 | -179.4 | -179.1 | 0 | 107.4 | L230 | L230-K250 HydrophobicContact CD2-CG 4.22Š| ||
| 251 | I | 85.9 | Confident | 84.6 | Confident | 17 Ų | 17 | 68 Ų | 68 | 9% | 0.087 | 33% | 0.331 | C | S | . | . | trans | -121.2 | 131.5 | -176 | -62.6 | 172.8 | 0 | 0 | 0 | 107.8 | R249 I259 L262 L358 | R249-I251 HydrophobicContact CB-CG1 4.31Å; R249-I251 HydrophobicContact CG-CG1 4.14Å; I251-I259 HydrophobicContact CG2-CD1 3.92Å; I251-L262 HydrophobicContact CD1-CD1 3.93Å; I251-L262 HydrophobicContact CD1-CD2 3.66Å; I251-L262 HydrophobicContact CD1-CG 4.45Å; I251-L262 HydrophobicContact CG1-CD1 4.39Å; I251-L262 HydrophobicContact CG1-CD2 4.42Å; I251-L262 HydrophobicContact CG2-CD1 4.1Å; I251-L358 HydrophobicContact CD1-CB 3.53Å; I251-L358 HydrophobicContact CD1-CD2 3.37Å; I251-L358 HydrophobicContact CD1-CG 4.06Å; I251-L358 HydrophobicContact CG1-CB 4.43Å | ||
| 252 | N | 85.5 | Confident | 85.7 | Confident | 78 Ų | 78 | 66.7 Ų | 66.7 | 42% | 0.417 | 32% | 0.324 | S | S | . | . | trans | -88.8 | 116.6 | 161.7 | -174.1 | 5.4 | 0 | 0 | 0 | 107.8 | E254 Q255 C256 | N252-E254 VanDerWaalsContact C-N 3.27Å; N252-E254 PolarHBondContact O-N 3.01Å; N252-Q255 PolarHBondContact ND2-OE1 3.19Å; N252-Q255 PolarHBondContact O-N 3.22Å; N252-C256 PolarHBondContact O-N 3.01Å | ||
| 253 | L | 83.3 | Confident | 86.8 | Confident | 18 Ų | 18 | 63.2 Ų | 63.2 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -65 | -31.6 | -172.7 | -71.3 | 167.9 | 0 | 0 | 0 | 112.6 | Q255 C256 L311 H318 C320 V351 S353 | L253-Q255 PolarHBondContact O-N 2.64Å; L253-C256 WeakPolarHBondContact O-CB 3.47Å; L253-C256 PolarHBondContact O-N 3.38Å; L253-L311 WeakPolarHBondContact O-CD1 3.26Å; L253-H318 HydrophobicContact CB-CB 4.42Å; L253-C320 HydrophobicContact CD2-CB 4.34Å; L253-V351 HydrophobicContact CD2-CG1 4.17Å; L253-S353 VanDerWaalsContact CD1-N 3.33Å |
| 254 | E | 83.3 | Confident | 87.8 | Confident | 132 Ų | 132 | 60.9 Ų | 60.9 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -66.5 | -22.9 | 179.1 | -63.8 | -178.7 | 176.2 | 0 | 0 | 112.8 | N252 | N252-E254 VanDerWaalsContact C-N 3.27Å; N252-E254 PolarHBondContact O-N 3.01Å |
| 255 | Q | 85 | Confident | 88.3 | Confident | 94 Ų | 94 | 58.9 Ų | 58.9 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -110.3 | 19.2 | -178.2 | -68.2 | 170.9 | -29.8 | 0 | 0 | 111.8 | N252 L253 E257 E258 I259 | N252-Q255 PolarHBondContact ND2-OE1 3.19Å; N252-Q255 PolarHBondContact O-N 3.22Å; L253-Q255 PolarHBondContact O-N 2.64Å; Q255-E257 PolarHBondContact O-N 3.23Å; Q255-E258 PolarHBondContact O-N 2.04Å; Q255-I259 WeakPolarHBondContact O-CG1 3.24Å |
| 256 | C | 86.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -25.9 | -171.1 | 83.5 | 0 | 0 | 0 | 0 | 113.7 | N252 L253 E258 L262 C320 | N252-C256 PolarHBondContact O-N 3.01Å; L253-C256 WeakPolarHBondContact O-CB 3.47Å; L253-C256 PolarHBondContact O-N 3.38Å; C256-E258 VanDerWaalsContact C-N 3.32Å; C256-L262 HydrophobicContact CB-CD1 4.26Å; C256-C320 HydrophobicContact CB-CB 3.67Å; C256-C320 WeakPolarHBondContact CB-SG 3.36Å; C256-C320 WeakPolarHBondContact SG-CB 3.29Å; C256-C320 CovalentContact SG-SG 2.04Å; C256-C320 PolarHBondContact SG-SG 2.74Å |
| 257 | E | 88.2 | Confident | 89.1 | Confident | 121 Ų | 121 | 51.9 Ų | 51.9 | 57% | 0.565 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -26.1 | 175.9 | -55 | -172.1 | 165.1 | 0 | 0 | 112.3 | Q255 L311 | Q255-E257 PolarHBondContact O-N 3.23Å; E257-L311 HydrophobicContact CG-CB 4.24Å; E257-L311 PolarHBondContact OE1-N 3.29Å |
| 258 | E | 89 | Confident | 89.3 | Confident | 149 Ų | 149 | 52.6 Ų | 52.6 | 70% | 0.696 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -17.3 | -179.2 | -59.9 | -179.6 | 175.2 | 0 | 0 | 112.7 | Q255 C256 E260 | Q255-E258 PolarHBondContact O-N 2.04Å; C256-E258 VanDerWaalsContact C-N 3.32Å; E258-E260 PolarHBondContact O-N 2.62Å; E258-E260 VanDerWaalsContact O-N 3.16Å |
| 259 | I | 88.8 | Confident | 89.3 | Confident | 36 Ų | 36 | 55.3 Ų | 55.3 | 19% | 0.185 | 28% | 0.276 | C | S | . | . | trans | -83.6 | 99 | -175.9 | -56.7 | 166.8 | 0 | 0 | 0 | 109.4 | I251 Q255 A261 L262 | I251-I259 HydrophobicContact CG2-CD1 3.92Å; Q255-I259 WeakPolarHBondContact O-CG1 3.24Å; I259-A261 VanDerWaalsContact C-N 3.26Å; I259-A261 PolarHBondContact O-N 3.24Å; I259-A261 VanDerWaalsContact O-N 3.14Å; I259-L262 HydrophobicContact CB-CD1 3.9Å; I259-L262 HydrophobicContact CB-CG 3.87Å; I259-L262 HydrophobicContact CD1-CD1 3.94Å; I259-L262 HydrophobicContact CG1-CD1 4.5Å; I259-L262 HydrophobicContact CG2-CD1 4.17Å; I259-L262 HydrophobicContact CG2-CD2 4.47Å; I259-L262 HydrophobicContact CG2-CG 3.71Å; I259-L262 WeakPolarHBondContact O-CB 3.44Å; I259-L262 PolarHBondContact O-N 2.82Å | ||
| 260 | E | 90.4 | Very high | 89.4 | Confident | 134 Ų | 134 | 55.3 Ų | 55.3 | 63% | 0.626 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -51.6 | -41.7 | -177.9 | -61.5 | -176.2 | 167.8 | 0 | 0 | 113.4 | E258 L262 S263 F266 | E258-E260 PolarHBondContact O-N 2.62Å; E258-E260 VanDerWaalsContact O-N 3.16Å; E260-L262 PolarHBondContact O-N 2.84Å; E260-L262 VanDerWaalsContact O-N 3.1Å; E260-S263 VanDerWaalsContact O-CB 3.29Å; E260-S263 WeakPolarHBondContact O-CB 3.44Å; E260-S263 PolarHBondContact O-N 2.71Å; E260-F266 HydrophobicContact CB-CB 4.45Å; E260-F266 HydrophobicContact CB-CD2 3.72Å; E260-F266 HydrophobicContact CB-CE2 4.38Å; E260-F266 HydrophobicContact CB-CG 4.36Å; E260-F266 WeakPolarHBondContact O-CB 3.14Å |
| 261 | A | 90.6 | Very high | 89.7 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 2% | 0.017 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -69.5 | -5.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.9 | I259 F266 Y267 Q360 | I259-A261 VanDerWaalsContact C-N 3.26Å; I259-A261 PolarHBondContact O-N 3.24Å; I259-A261 VanDerWaalsContact O-N 3.14Å; A261-F266 HydrophobicContact CB-CD1 4.38Å; A261-F266 HydrophobicContact CB-CE1 4.38Å; A261-Y267 WeakPolarHBondContact O-CE2 3.27Å; A261-Y267 PolarHBondContact O-OH 3.23Å; A261-Y267 VanDerWaalsContact O-OH 3.09Å; A261-Q360 PolarHBondContact O-NE2 2.77Å |
| 262 | L | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -90.1 | -15.5 | 168.8 | -57 | -174.3 | 0 | 0 | 0 | 112.1 | I251 C256 I259 E260 P309 V323 V324 L358 | I251-L262 HydrophobicContact CD1-CD1 3.93Å; I251-L262 HydrophobicContact CD1-CD2 3.66Å; I251-L262 HydrophobicContact CD1-CG 4.45Å; I251-L262 HydrophobicContact CG1-CD1 4.39Å; I251-L262 HydrophobicContact CG1-CD2 4.42Å; I251-L262 HydrophobicContact CG2-CD1 4.1Å; C256-L262 HydrophobicContact CB-CD1 4.26Å; I259-L262 HydrophobicContact CB-CD1 3.9Å; I259-L262 HydrophobicContact CB-CG 3.87Å; I259-L262 HydrophobicContact CD1-CD1 3.94Å; I259-L262 HydrophobicContact CG1-CD1 4.5Å; I259-L262 HydrophobicContact CG2-CD1 4.17Å; I259-L262 HydrophobicContact CG2-CD2 4.47Å; I259-L262 HydrophobicContact CG2-CG 3.71Å; I259-L262 WeakPolarHBondContact O-CB 3.44Å; I259-L262 PolarHBondContact O-N 2.82Å; E260-L262 PolarHBondContact O-N 2.84Å; E260-L262 VanDerWaalsContact O-N 3.1Å; L262-P309 HydrophobicContact CB-CG 3.95Å; L262-P309 WeakPolarHBondContact O-CG 3.43Å; L262-V323 HydrophobicContact CB-CG1 4.16Å; L262-V323 HydrophobicContact CD1-CG1 4.38Å; L262-V323 HydrophobicContact CD2-CG1 3.84Å; L262-V323 HydrophobicContact CG-CG1 4.32Å; L262-V324 WeakPolarHBondContact O-CG2 3.31Å; L262-V324 PolarHBondContact O-N 3.21Å; L262-L358 HydrophobicContact CD2-CD2 4.16Å |
| 263 | S | 93.5 | Very high | 90.4 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 10% | 0.098 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -89.5 | 146 | -178.1 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | E260 A265 Y267 | E260-S263 VanDerWaalsContact O-CB 3.29Å; E260-S263 WeakPolarHBondContact O-CB 3.44Å; E260-S263 PolarHBondContact O-N 2.71Å; S263-A265 PolarHBondContact O-N 2.85Å; S263-A265 PolarHBondContact OG-N 3.35Å; S263-Y267 WeakPolarHBondContact O-CD2 3.38Å |
| 264 | M | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -37.8 | 172.2 | -72.8 | 173.6 | 67 | 0 | 0 | 111.7 | F266 Y267 S268 V286 V289 V306 L307 V324 F346 L348 | M264-F266 PolarHBondContact O-N 3.37Å; M264-Y267 PolarHBondContact O-N 3.44Å; M264-S268 PolarHBondContact O-N 3.03Å; M264-S268 VanDerWaalsContact O-N 3.14Å; M264-S268 PolarHBondContact O-OG 3.2Å; M264-V286 HydrophobicContact CE-CG1 4.23Å; M264-V289 HydrophobicContact CE-CG2 3.65Å; M264-V306 HydrophobicContact CB-CG1 3.82Å; M264-L307 HydrophobicContact SD-CB 3.89Å; M264-L307 HydrophobicContact SD-CG 4.42Å; M264-L307 PolarHBondContact SD-N 2.78Å; M264-V324 HydrophobicContact CG-CG2 4.16Å; M264-F346 HydrophobicContact CB-CE1 4.26Å; M264-F346 HydrophobicContact CB-CE2 3.87Å; M264-F346 HydrophobicContact CB-CZ 3.72Å; M264-F346 HydrophobicContact CE-CD2 3.48Å; M264-F346 VanDerWaalsContact CE-CD2 3.48Å; M264-F346 HydrophobicContact CE-CE2 3.54Å; M264-F346 HydrophobicContact CE-CG 4.35Å; M264-F346 HydrophobicContact CG-CD1 4.23Å; M264-F346 HydrophobicContact CG-CD2 4.01Å; M264-F346 HydrophobicContact CG-CE1 4.13Å; M264-F346 HydrophobicContact CG-CE2 3.84Å; M264-F346 HydrophobicContact CG-CG 4.15Å; M264-F346 HydrophobicContact CG-CZ 3.9Å; M264-F346 WeakPolarHBondContact O-CZ 3.47Å; M264-F346 HydrophobicContact SD-CD2 4.38Å; M264-F346 HydrophobicContact SD-CE2 4.5Å; M264-L348 HydrophobicContact CG-CD1 4.45Å; M264-L348 HydrophobicContact CG-CD2 3.83Å; M264-L348 HydrophobicContact SD-CD1 3.77Å; M264-L348 HydrophobicContact SD-CD2 4.21Å; M264-L348 HydrophobicContact SD-CG 4.48Å |
| 265 | A | 92.1 | Very high | 90.8 | Very high | 28 Ų | 28 | 45.1 Ų | 45.1 | 23% | 0.231 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.4 | -34.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S263 Y267 S268 S269 V306 | S263-A265 PolarHBondContact O-N 2.85Å; S263-A265 PolarHBondContact OG-N 3.35Å; A265-Y267 PolarHBondContact O-N 3.29Å; A265-S268 PolarHBondContact O-N 3Å; A265-S269 WeakPolarHBondContact O-CB 3.46Å; A265-S269 PolarHBondContact O-N 3.44Å; A265-S269 PolarHBondContact O-OG 2.87Å; A265-V306 HydrophobicContact CB-CG1 3.96Å |
| 266 | F | 92.8 | Very high | 90.6 | Very high | 36 Ų | 36 | 41.8 Ų | 41.8 | 16% | 0.158 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.6 | -32.4 | 178.5 | -179.1 | -98.1 | 0 | 0 | 0 | 112.6 | D233 E260 A261 M264 | D233-F266 HydrophobicContact CB-CE1 4.25Å; D233-F266 HydrophobicContact CB-CZ 3.89Å; E260-F266 HydrophobicContact CB-CB 4.45Å; E260-F266 HydrophobicContact CB-CD2 3.72Å; E260-F266 HydrophobicContact CB-CE2 4.38Å; E260-F266 HydrophobicContact CB-CG 4.36Å; E260-F266 WeakPolarHBondContact O-CB 3.14Å; A261-F266 HydrophobicContact CB-CD1 4.38Å; A261-F266 HydrophobicContact CB-CE1 4.38Å; M264-F266 PolarHBondContact O-N 3.37Å |
| 267 | Y | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -96.6 | -28.4 | -177 | -59.7 | -73.7 | 0 | 0 | 0 | 113.7 | P223 A261 S263 M264 A265 V324 V327 Y329 F346 F362 | P223-Y267 HydrophobicContact CG-CE1 3.76Å; A261-Y267 WeakPolarHBondContact O-CE2 3.27Å; A261-Y267 PolarHBondContact O-OH 3.23Å; A261-Y267 VanDerWaalsContact O-OH 3.09Å; S263-Y267 WeakPolarHBondContact O-CD2 3.38Å; M264-Y267 PolarHBondContact O-N 3.44Å; A265-Y267 PolarHBondContact O-N 3.29Å; Y267-V324 HydrophobicContact CD2-CG1 4.41Å; Y267-V324 HydrophobicContact CE2-CB 4.39Å; Y267-V324 HydrophobicContact CE2-CG1 3.98Å; Y267-V324 HydrophobicContact CE2-CG2 4.42Å; Y267-V327 HydrophobicContact CD1-CG1 4.35Å; Y267-V327 HydrophobicContact CD1-CG2 4.19Å; Y267-V327 HydrophobicContact CD2-CG2 3.91Å; Y267-V327 HydrophobicContact CE1-CG2 4.26Å; Y267-V327 HydrophobicContact CE2-CG2 3.98Å; Y267-V327 HydrophobicContact CG-CG1 4.28Å; Y267-V327 HydrophobicContact CG-CG2 4.01Å; Y267-Y329 WeakPolarHBondContact CA-OH 3.29Å; Y267-Y329 WeakPolarHBondContact CB-OH 3.1Å; Y267-Y329 HydrophobicContact CD1-CE2 4.46Å; Y267-Y329 WeakPolarHBondContact CD1-OH 3.42Å; Y267-Y329 PolarHBondContact O-OH 3.23Å; Y267-F346 AromaticContact CD2-CE1 3.91Å; Y267-F346 HydrophobicContact CD2-CE1 3.91Å; Y267-F346 HydrophobicContact CG-CE1 4.25Å; Y267-F362 HydrophobicContact CE1-CD1 4.27Å; Y267-F362 AromaticContact CE1-CE1 3.7Å; Y267-F362 HydrophobicContact CE1-CE1 3.7Å; Y267-F362 HydrophobicContact CE2-CE1 4.49Å; Y267-F362 AromaticContact CZ-CE1 3.58Å; Y267-F362 VanDerWaalsContact OH-CE1 3.27Å; Y267-F362 WeakPolarHBondContact OH-CE1 3.4Å; Y267-F362 WeakPolarHBondContact OH-CZ 3.47Å |
| 268 | S | 93.2 | Very high | 90.1 | Very high | 16 Ų | 16 | 43.3 Ų | 43.3 | 11% | 0.112 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -95.8 | -22.6 | -175.3 | 63.5 | 0 | 0 | 0 | 0 | 114.7 | M264 A265 | M264-S268 PolarHBondContact O-N 3.03Å; M264-S268 VanDerWaalsContact O-N 3.14Å; M264-S268 PolarHBondContact O-OG 3.2Å; A265-S268 PolarHBondContact O-N 3Å |
| 269 | S | 91.6 | Very high | 89.8 | Confident | 85 Ų | 85 | 47.9 Ų | 47.9 | 59% | 0.594 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -71.9 | -31.1 | -177.1 | -53.4 | 0 | 0 | 0 | 0 | 115.8 | A265 | A265-S269 WeakPolarHBondContact O-CB 3.46Å; A265-S269 PolarHBondContact O-N 3.44Å; A265-S269 PolarHBondContact O-OG 2.87Å |
| 270 | P | 91.6 | Very high | 89.7 | Confident | 37 Ų | 37 | 49.2 Ų | 49.2 | 24% | 0.24 | 25% | 0.251 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 140.5 | -179 | -24.1 | 34.2 | 0 | 0 | 0 | 113.4 | T215 L220 I284 | T215-P270 HydrophobicContact CG2-CB 4.05Å; L220-P270 HydrophobicContact CD1-CB 4.37Å; P270-I284 HydrophobicContact CB-CD1 4.32Å; P270-I284 WeakPolarHBondContact O-CD1 3.45Å; P270-I284 WeakPolarHBondContact O-CG1 3.29Å |
| 271 | E | 92.7 | Very high | 89.8 | Confident | 81 Ų | 81 | 47.4 Ų | 47.4 | 38% | 0.379 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 124.4 | 171 | -61.3 | -178.2 | 143.8 | 0 | 0 | 110.2 | T215 K281 | T215-E271 VanDerWaalsContact CA-O 3.29Å; T215-E271 WeakPolarHBondContact CA-O 3.27Å; T215-E271 WeakPolarHBondContact CB-O 3.41Å; E271-K281 HydrophobicContact CB-CB 4.26Å; E271-K281 HydrophobicContact CB-CD 4.22Å; E271-K281 WeakPolarHBondContact OE2-CD 3.42Å; E271-K281 IonicContact OE2-NZ 3.59Å; E271-K281 PolarHBondContact OE2-NZ 3.02Å |
| 272 | I | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 133.1 | -177.4 | -56.8 | 175.5 | 0 | 0 | 0 | 109.1 | L213 L220 K281 V282 I284 L331 A342 | L213-I272 HydrophobicContact CB-CG2 4.48Å; L213-I272 HydrophobicContact CD2-CG2 4.18Å; L220-I272 HydrophobicContact CD1-CD1 4.31Å; L220-I272 HydrophobicContact CD1-CG1 4.38Å; L220-I272 HydrophobicContact CD2-CD1 3.84Å; I272-K281 CarbonylContact O-C 3.56Å; I272-V282 PolarHBondContact N-O 2.81Å; I272-V282 PolarHBondContact O-N 2.82Å; I272-I284 HydrophobicContact CD1-CD1 4.18Å; I272-I284 HydrophobicContact CD1-CG1 4.14Å; I272-I284 HydrophobicContact CG1-CD1 4.26Å; I272-I284 HydrophobicContact CG1-CG1 4.3Å; I272-L331 HydrophobicContact CD1-CD2 3.7Å; I272-L331 HydrophobicContact CD1-CG 4.46Å; I272-A342 HydrophobicContact CD1-CB 3.88Å |
| 273 | L | 92.4 | Very high | 89.9 | Confident | 21 Ų | 21 | 51.3 Ų | 51.3 | 11% | 0.11 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 137.4 | 173.9 | -56.1 | -173.7 | 0 | 0 | 0 | 109.8 | Y207 Q214 A275 K281 | Y207-L273 WeakPolarHBondContact CE2-O 3.33Å; Y207-L273 PolarHBondContact OH-O 3.19Å; Q214-L273 HydrophobicContact CB-CB 4.42Å; Q214-L273 HydrophobicContact CB-CD1 3.83Å; Q214-L273 HydrophobicContact CB-CG 4.15Å; Q214-L273 PolarHBondContact O-N 3.33Å; L273-A275 VanDerWaalsContact C-N 3.27Å; L273-A275 WeakPolarHBondContact CB-O 3.34Å; L273-A275 PolarHBondContact O-N 2.95Å; L273-K281 HydrophobicContact CD2-CG 3.99Å |
| 274 | R | 88.8 | Confident | 90 | Very high | 91 Ų | 91 | 51.3 Ų | 51.3 | 34% | 0.343 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -58.1 | -37.5 | -179.9 | 172.2 | 173.1 | -68.2 | -168.7 | 1.6 | 112.8 | T280 V282 E338 V339 | R274-T280 HydrophobicContact CB-CG2 4.34Å; R274-T280 WeakPolarHBondContact CB-O 3.39Å; R274-T280 PolarHBondContact N-O 3.17Å; R274-V282 HydrophobicContact CB-CG2 4.22Å; R274-E338 HydrophobicContact CG-CB 3.94Å; R274-E338 CarbonylContact O-C 3.53Å; R274-E338 VanDerWaalsContact O-CA 3.3Å; R274-E338 WeakPolarHBondContact O-CA 3.33Å; R274-V339 WeakPolarHBondContact CG-O 3.16Å; R274-V339 PolarHBondContact O-N 3.23Å |
| 275 | A | 85.9 | Confident | 89.9 | Confident | 3 Ų | 3 | 54 Ų | 54 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -145.3 | 165.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | A205 Y207 L273 D277 S278 E338 | A205-A275 HydrophobicContact CB-CB 4.38Å; Y207-A275 VanDerWaalsContact CE2-CA 3.49Å; L273-A275 VanDerWaalsContact C-N 3.27Å; L273-A275 WeakPolarHBondContact CB-O 3.34Å; L273-A275 PolarHBondContact O-N 2.95Å; A275-D277 PolarHBondContact O-N 3.08Å; A275-S278 WeakPolarHBondContact O-CB 3.21Å; A275-S278 PolarHBondContact O-N 3.18Å; A275-E338 HydrophobicContact CB-CG 4.47Å |
| 276 | P | 82.3 | Confident | 90 | Very high | 24 Ų | 24 | 53.8 Ų | 53.8 | 16% | 0.156 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 131 | 175.7 | -26 | 35.4 | 0 | 0 | 0 | 111.1 | K206 Y207 Q214 S278 | K206-P276 WeakPolarHBondContact O-CG 3.14Å; Y207-P276 HydrophobicContact CD1-CG 3.74Å; Y207-P276 HydrophobicContact CD2-CG 4.49Å; Y207-P276 HydrophobicContact CE1-CG 3.96Å; Y207-P276 HydrophobicContact CG-CG 4.02Å; Y207-P276 VanDerWaalsContact N-CD 3.35Å; Q214-P276 VanDerWaalsContact OE1-CA 3.3Å; P276-S278 PolarHBondContact O-N 2.86Å; P276-S278 VanDerWaalsContact O-N 3.1Å |
| 277 | D | 81.5 | Confident | 89.7 | Confident | 120 Ų | 120 | 56.2 Ų | 56.2 | 64% | 0.642 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 18.7 | -178.2 | -47.3 | -49 | 0 | 0 | 0 | 114.7 | A275 | A275-D277 PolarHBondContact O-N 3.08Š|
| 278 | S | 82.6 | Confident | 89.4 | Confident | 32 Ų | 32 | 57.6 Ų | 57.6 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | trans | -73.2 | 144.1 | 178.3 | -174.1 | 0 | 0 | 0 | 0 | 112 | A275 P276 T280 | A275-S278 WeakPolarHBondContact O-CB 3.21Å; A275-S278 PolarHBondContact O-N 3.18Å; P276-S278 PolarHBondContact O-N 2.86Å; P276-S278 VanDerWaalsContact O-N 3.1Å; S278-T280 VanDerWaalsContact C-N 3.3Å; S278-T280 PolarHBondContact OG-N 2.83Å | ||
| 279 | R | 82.5 | Confident | 89.2 | Confident | 246 Ų | 246 | 56.9 Ų | 56.9 | 93% | 0.928 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -77.8 | -16.9 | 171.1 | -62.2 | -174.6 | -178.1 | -162.4 | -0 | 112.9 | ||
| 280 | T | 87.4 | Confident | 88.7 | Confident | 64 Ų | 64 | 55.5 Ų | 55.5 | 39% | 0.393 | 28% | 0.279 | S | S | . | . | trans | -88.8 | 126.6 | -179.7 | -52.8 | 0 | 0 | 0 | 0 | 109.8 | R274 S278 | R274-T280 HydrophobicContact CB-CG2 4.34Å; R274-T280 WeakPolarHBondContact CB-O 3.39Å; R274-T280 PolarHBondContact N-O 3.17Å; S278-T280 VanDerWaalsContact C-N 3.3Å; S278-T280 PolarHBondContact OG-N 2.83Å | ||
| 281 | K | 90.6 | Very high | 88.2 | Confident | 95 Ų | 95 | 56.1 Ų | 56.1 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 151.3 | -179.4 | -50.6 | -174.2 | -171.5 | -176 | 0 | 110.9 | S216 E271 I272 L273 | S216-K281 WeakPolarHBondContact OG-CE 3.04Å; S216-K281 PolarHBondContact OG-NZ 2.81Å; E271-K281 HydrophobicContact CB-CB 4.26Å; E271-K281 HydrophobicContact CB-CD 4.22Å; E271-K281 WeakPolarHBondContact OE2-CD 3.42Å; E271-K281 IonicContact OE2-NZ 3.59Å; E271-K281 PolarHBondContact OE2-NZ 3.02Å; I272-K281 CarbonylContact O-C 3.56Å; L273-K281 HydrophobicContact CD2-CG 3.99Å |
| 282 | V | 92.9 | Very high | 87.7 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.042 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 110.7 | 178.2 | -177.4 | 0 | 0 | 0 | 0 | 107.2 | I272 R274 V339 A342 | I272-V282 PolarHBondContact N-O 2.81Å; I272-V282 PolarHBondContact O-N 2.82Å; R274-V282 HydrophobicContact CB-CG2 4.22Å; V282-V339 WeakPolarHBondContact CG2-O 3.06Å; V282-A342 HydrophobicContact CG1-CB 4.32Å |
| 283 | P | 93.6 | Very high | 86.8 | Confident | 77 Ų | 77 | 56.4 Ų | 56.4 | 50% | 0.5 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 150.5 | 176.5 | 30.1 | -34 | 0 | 0 | 0 | 110.4 | ||
| 284 | I | 94.3 | Very high | 86 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 8% | 0.077 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.9 | 174.4 | -60.3 | 171.5 | 0 | 0 | 0 | 108.7 | L220 P270 I272 Y329 A342 L344 | L220-I284 HydrophobicContact CD1-CD1 3.9Å; P270-I284 HydrophobicContact CB-CD1 4.32Å; P270-I284 WeakPolarHBondContact O-CD1 3.45Å; P270-I284 WeakPolarHBondContact O-CG1 3.29Å; I272-I284 HydrophobicContact CD1-CD1 4.18Å; I272-I284 HydrophobicContact CD1-CG1 4.14Å; I272-I284 HydrophobicContact CG1-CD1 4.26Å; I272-I284 HydrophobicContact CG1-CG1 4.3Å; I284-Y329 HydrophobicContact CD1-CE1 4.15Å; I284-A342 WeakPolarHBondContact CA-O 3.49Å; I284-A342 HydrophobicContact CG1-CB 3.93Å; I284-L344 HydrophobicContact CG2-CB 3.73Å; I284-L344 HydrophobicContact CG2-CD1 3.81Å; I284-L344 HydrophobicContact CG2-CG 4.42Å |
| 285 | T | 93.1 | Very high | 85.2 | Confident | 57 Ų | 57 | 62.9 Ų | 62.9 | 35% | 0.35 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 131.5 | -179.6 | 61.3 | 0 | 0 | 0 | 0 | 111.9 | Q287 A342 D343 L344 | T285-Q287 PolarHBondContact O-N 3.29Å; T285-Q287 PolarHBondContact OG1-NE2 2.87Å; T285-A342 PolarHBondContact N-O 2.91Å; T285-A342 PolarHBondContact OG1-O 3.47Å; T285-D343 CarbonylContact O-C 3.56Å; T285-D343 WeakPolarHBondContact O-CA 3.44Å; T285-D343 PolarHBondContact OG1-OD1 2.84Å; T285-L344 PolarHBondContact O-N 3.38Å |
| 286 | V | 92.7 | Very high | 84.5 | Confident | 23 Ų | 23 | 70.6 Ų | 70.6 | 14% | 0.139 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 115.8 | 176.7 | -176.7 | 0 | 0 | 0 | 0 | 108.9 | M264 V289 L344 F346 | M264-V286 HydrophobicContact CE-CG1 4.23Å; V286-V289 HydrophobicContact CG1-CG2 3.75Å; V286-L344 CarbonylContact C-O 3.55Å; V286-L344 WeakPolarHBondContact CA-O 3.19Å; V286-F346 HydrophobicContact CG1-CD2 4.04Å; V286-F346 HydrophobicContact CG1-CE2 4.27Å; V286-F346 HydrophobicContact CG2-CE2 4.02Å |
| 287 | Q | 87.8 | Confident | 83.7 | Confident | 87 Ų | 87 | 73.5 Ų | 73.5 | 41% | 0.407 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -35.3 | -178.1 | -69 | -63.2 | -27.7 | 0 | 0 | 112.8 | T285 D343 L344 | T285-Q287 PolarHBondContact O-N 3.29Å; T285-Q287 PolarHBondContact OG1-NE2 2.87Å; Q287-D343 HydrophobicContact CG-CB 3.61Å; Q287-D343 WeakPolarHBondContact CG-OD1 2.95Å; Q287-D343 PolarHBondContact NE2-OD1 3.21Å; Q287-L344 PolarHBondContact N-O 2.92Å |
| 288 | S | 86.6 | Confident | 83 | Confident | 29 Ų | 29 | 72.6 Ų | 72.6 | 20% | 0.203 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 143.8 | -179.9 | 71.1 | 0 | 0 | 0 | 0 | 112.8 | S345 F346 | S288-S345 WeakPolarHBondContact O-CA 3.4Å; S288-S345 VanDerWaalsContact OG-CB 3.26Å; S288-S345 WeakPolarHBondContact OG-CB 3.46Å; S288-S345 PolarHBondContact OG-OG 2.67Å; S288-F346 PolarHBondContact O-N 3.16Å |
| 289 | V | 88.4 | Confident | 82.3 | Confident | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.006 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 116.8 | 174 | -174.7 | 0 | 0 | 0 | 0 | 108.1 | M264 V286 R301 L348 | M264-V289 HydrophobicContact CE-CG2 3.65Å; V286-V289 HydrophobicContact CG1-CG2 3.75Å; V289-R301 HydrophobicContact CB-CB 4.43Å; V289-R301 PolarHBondContact O-N 3.31Å; V289-L348 HydrophobicContact CG1-CD1 3.68Å; V289-L348 HydrophobicContact CG1-CG 3.98Å |
| 290 | L | 81.5 | Confident | 81.8 | Confident | 56 Ų | 56 | 72.4 Ų | 72.4 | 29% | 0.293 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.8 | 171.4 | -62.4 | -179.3 | 0 | 0 | 0 | 109 | T299 R300 F346 L347 L348 | L290-T299 CarbonylContact C-O 3.48Å; L290-T299 WeakPolarHBondContact CA-O 3.47Å; L290-R300 HydrophobicContact CD2-CB 3.66Å; L290-R300 HydrophobicContact CD2-CG 3.96Å; L290-F346 PolarHBondContact N-O 3.25Å; L290-L347 HydrophobicContact CB-CD1 3.68Å; L290-L347 CarbonylContact O-C 3.46Å; L290-L347 WeakPolarHBondContact O-CA 3.3Å; L290-L348 PolarHBondContact O-N 2.81Å |
| 291 | I | 82.1 | Confident | 81.5 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 25% | 0.251 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.5 | 175.1 | -58.2 | 175.3 | 0 | 0 | 0 | 108.3 | L298 T299 L348 | I291-L298 WeakPolarHBondContact O-CA 3.21Å; I291-T299 PolarHBondContact N-O 3.27Å; I291-T299 PolarHBondContact O-N 2.91Å; I291-T299 PolarHBondContact O-OG1 2.89Å; I291-L348 CarbonylContact C-O 3.12Å |
| 292 | Q | 81.4 | Confident | 80.7 | Confident | 44 Ų | 44 | 77.7 Ų | 77.7 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 124.1 | 176.8 | -170.8 | 170.3 | 30.6 | 0 | 0 | 110.3 | T297 L298 L325 L347 L348 G349 | Q292-T297 WeakPolarHBondContact CA-O 3.26Å; Q292-L298 HydrophobicContact CB-CD2 3.8Å; Q292-L298 HydrophobicContact CG-CD2 3.89Å; Q292-L325 HydrophobicContact CB-CD1 4.3Å; Q292-L347 HydrophobicContact CB-CD1 4.06Å; Q292-L347 HydrophobicContact CB-CG 4.48Å; Q292-L348 WeakPolarHBondContact CB-O 3.49Å; Q292-L348 PolarHBondContact N-O 3.4Å; Q292-G349 WeakPolarHBondContact O-CA 3.33Å |
| 293 | S | 74.8 | Confident | 80 | Confident | 43 Ų | 43 | 80 Ų | 80 | 30% | 0.301 | 41% | 0.407 | S | S | . | . | trans | -75.6 | 167 | 171.4 | 79.2 | 0 | 0 | 0 | 0 | 111.8 | N295 K296 T297 | S293-N295 PolarHBondContact O-N 3.45Å; S293-N295 VanDerWaalsContact O-N 3.15Å; S293-N295 PolarHBondContact OG-N 3.41Å; S293-K296 WeakPolarHBondContact O-CA 3.47Å; S293-K296 PolarHBondContact O-N 2.89Å; S293-T297 WeakPolarHBondContact CB-OG1 3.39Å; S293-T297 PolarHBondContact N-O 3.4Å; S293-T297 PolarHBondContact OG-N 2.78Å; S293-T297 PolarHBondContact OG-OG1 2.67Å | ||
| 294 | L | 74.6 | Confident | 79.2 | Confident | 104 Ų | 104 | 79.4 Ų | 79.4 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27.4 | 172.4 | -66.2 | 171.4 | 0 | 0 | 0 | 113 | K296 T350 | L294-K296 PolarHBondContact O-N 2.75Å; L294-T350 HydrophobicContact CD2-CG2 4.19Å |
| 295 | N | 73.6 | Confident | 78.8 | Confident | 145 Ų | 145 | 83.6 Ų | 83.6 | 78% | 0.775 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | 12.4 | 175.8 | -66.2 | -20.7 | 0 | 0 | 0 | 112.9 | S293 T297 | S293-N295 PolarHBondContact O-N 3.45Å; S293-N295 VanDerWaalsContact O-N 3.15Å; S293-N295 PolarHBondContact OG-N 3.41Å; N295-T297 PolarHBondContact O-N 3.06Å |
| 296 | K | 70.4 | Confident | 78.4 | Confident | 164 Ų | 164 | 84.2 Ų | 84.2 | 71% | 0.713 | 43% | 0.428 | S | S | * | . | trans | 62.3 | 15.2 | -177.9 | -55.3 | -177.3 | 179.5 | 179.4 | 0 | 115.2 | S293 L294 | S293-K296 WeakPolarHBondContact O-CA 3.47Å; S293-K296 PolarHBondContact O-N 2.89Å; L294-K296 PolarHBondContact O-N 2.75Å | ||
| 297 | T | 64.8 | Low | 78.1 | Confident | 85 Ų | 85 | 84.8 Ų | 84.8 | 52% | 0.521 | 43% | 0.43 | S | S | . | . | trans | -73.6 | 143 | 171.1 | 60.8 | 0 | 0 | 0 | 0 | 110.1 | Q292 S293 N295 | Q292-T297 WeakPolarHBondContact CA-O 3.26Å; S293-T297 WeakPolarHBondContact CB-OG1 3.39Å; S293-T297 PolarHBondContact N-O 3.4Å; S293-T297 PolarHBondContact OG-N 2.78Å; S293-T297 PolarHBondContact OG-OG1 2.67Å; N295-T297 PolarHBondContact O-N 3.06Å | ||
| 298 | L | 66.7 | Low | 78.1 | Confident | 101 Ų | 101 | 87.6 Ų | 87.6 | 53% | 0.529 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.2 | -177.1 | -61.8 | 179.4 | 0 | 0 | 0 | 110.5 | I291 Q292 L347 | I291-L298 WeakPolarHBondContact O-CA 3.21Å; Q292-L298 HydrophobicContact CB-CD2 3.8Å; Q292-L298 HydrophobicContact CG-CD2 3.89Å; L298-L347 HydrophobicContact CD2-CD1 3.52Å |
| 299 | T | 68.3 | Low | 78.3 | Confident | 84 Ų | 84 | 86.6 Ų | 86.6 | 52% | 0.515 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 131.4 | 172.4 | 50.6 | 0 | 0 | 0 | 0 | 110 | L290 I291 | L290-T299 CarbonylContact C-O 3.48Å; L290-T299 WeakPolarHBondContact CA-O 3.47Å; I291-T299 PolarHBondContact N-O 3.27Å; I291-T299 PolarHBondContact O-N 2.91Å; I291-T299 PolarHBondContact O-OG1 2.89Å |
| 300 | R | 72.6 | Confident | 78.4 | Confident | 190 Ų | 190 | 88.2 Ų | 88.2 | 72% | 0.717 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 128.4 | 173.7 | -176 | 176 | -178.5 | 173 | 2.2 | 109.2 | L290 | L290-R300 HydrophobicContact CD2-CB 3.66Å; L290-R300 HydrophobicContact CD2-CG 3.96Å |
| 301 | R | 81.4 | Confident | 78.8 | Confident | 68 Ų | 68 | 87.9 Ų | 87.9 | 26% | 0.257 | 45% | 0.448 | S | S | . | . | trans | -84.1 | 139.4 | 172.6 | -163.1 | 175.4 | 174.4 | -120.9 | -4.5 | 109.4 | V289 D303 D305 | V289-R301 HydrophobicContact CB-CB 4.43Å; V289-R301 PolarHBondContact O-N 3.31Å; R301-D303 WeakPolarHBondContact CD-O 3.11Å; R301-D303 WeakPolarHBondContact CG-O 3.43Å; R301-D303 IonicContact CZ-OD2 3.33Å; R301-D303 PolarHBondContact NH1-O 2.78Å; R301-D303 IonicContact NH1-OD2 3.52Å; R301-D303 IonicContact NH2-OD2 2.72Å; R301-D303 PolarHBondContact NH2-OD2 2.82Å; R301-D305 PolarHBondContact NH1-O 2.77Å; R301-D305 VanDerWaalsContact NH1-O 3.08Å | ||
| 302 | E | 73.9 | Confident | 79 | Confident | 202 Ų | 202 | 88.3 Ų | 88.3 | 94% | 0.944 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -76.2 | -30.9 | 176.1 | -64 | -163.1 | 163.3 | 0 | 0 | 112.1 | ||
| 303 | D | 77.1 | Confident | 79.1 | Confident | 56 Ų | 56 | 91.2 Ų | 91.2 | 30% | 0.299 | 47% | 0.47 | S | S | . | . | trans | -93.9 | 137.8 | 178.5 | 176.5 | 22.3 | 0 | 0 | 0 | 112 | R301 D305 | R301-D303 WeakPolarHBondContact CD-O 3.11Å; R301-D303 WeakPolarHBondContact CG-O 3.43Å; R301-D303 IonicContact CZ-OD2 3.33Å; R301-D303 PolarHBondContact NH1-O 2.78Å; R301-D303 IonicContact NH1-OD2 3.52Å; R301-D303 IonicContact NH2-OD2 2.72Å; R301-D303 PolarHBondContact NH2-OD2 2.82Å; D303-D305 VanDerWaalsContact OD1-CG 3.23Å; D303-D305 PolarHBondContact OD1-N 2.69Å; D303-D305 WeakPolarHBondContact OD2-CB 3.48Å | ||
| 304 | T | 78.3 | Confident | 78.9 | Confident | 64 Ų | 64 | 91.6 Ų | 91.6 | 39% | 0.393 | 48% | 0.475 | S | S | . | . | trans | -98.4 | 6 | -179.4 | 53.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 305 | D | 84.9 | Confident | 78.9 | Confident | 103 Ų | 103 | 90 Ų | 90 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | P | Polyproline II helix | trans | -54.2 | 141.4 | 176.6 | -76 | -14.3 | 0 | 0 | 0 | 112.5 | R301 D303 L307 | R301-D305 PolarHBondContact NH1-O 2.77Å; R301-D305 VanDerWaalsContact NH1-O 3.08Å; D303-D305 VanDerWaalsContact OD1-CG 3.23Å; D303-D305 PolarHBondContact OD1-N 2.69Å; D303-D305 WeakPolarHBondContact OD2-CB 3.48Å; D305-L307 PolarHBondContact O-N 3.45Å |
| 306 | V | 85.1 | Confident | 78.7 | Confident | 71 Ų | 71 | 92 Ų | 92 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 117.7 | -178.1 | -179.6 | 0 | 0 | 0 | 0 | 109.7 | M264 A265 | M264-V306 HydrophobicContact CB-CG1 3.82Å; A265-V306 HydrophobicContact CB-CG1 3.96Å |
| 307 | L | 86.8 | Confident | 78.8 | Confident | 35 Ų | 35 | 90.9 Ų | 90.9 | 18% | 0.183 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 140.3 | 175.1 | -63.9 | 174.8 | 0 | 0 | 0 | 110.8 | M264 D305 N322 L348 | M264-L307 HydrophobicContact SD-CB 3.89Å; M264-L307 HydrophobicContact SD-CG 4.42Å; M264-L307 PolarHBondContact SD-N 2.78Å; D305-L307 PolarHBondContact O-N 3.45Å; L307-N322 HydrophobicContact CB-CB 4.21Å; L307-L348 HydrophobicContact CB-CD1 4.29Å; L307-L348 HydrophobicContact CD1-CD1 3.81Å |
| 308 | Q | 87.4 | Confident | 79.6 | Confident | 145 Ų | 145 | 90.2 Ų | 90.2 | 68% | 0.678 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -94.1 | 146.6 | 170.8 | -66.3 | -169.3 | -17.1 | 0 | 0 | 110.4 | A310 N322 | Q308-A310 PolarHBondContact O-N 3.44Å; Q308-N322 WeakPolarHBondContact O-CB 3.27Å; Q308-N322 PolarHBondContact O-ND2 2.8Å |
| 309 | P | 90.9 | Very high | 80.6 | Confident | 8 Ų | 8 | 87 Ų | 87 | 5% | 0.052 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 137.2 | 168.4 | -20.3 | 33.1 | 0 | 0 | 0 | 109.4 | L262 M321 | L262-P309 HydrophobicContact CB-CG 3.95Å; L262-P309 WeakPolarHBondContact O-CG 3.43Å; P309-M321 WeakPolarHBondContact CA-O 3.5Å |
| 310 | A | 90.1 | Very high | 81.6 | Confident | 35 Ų | 35 | 83 Ų | 83 | 29% | 0.289 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 129.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q308 M321 | Q308-A310 PolarHBondContact O-N 3.44Å; A310-M321 PolarHBondContact N-O 2.96Å; A310-M321 VanDerWaalsContact N-O 3.09Å; A310-M321 PolarHBondContact O-N 3.03Å |
| 311 | L | 88.9 | Confident | 82.5 | Confident | 49 Ų | 49 | 77.7 Ų | 77.7 | 26% | 0.257 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 119.3 | 175 | -175.1 | 63.9 | 0 | 0 | 0 | 109.5 | L253 E257 H318 | L253-L311 WeakPolarHBondContact O-CD1 3.26Å; E257-L311 HydrophobicContact CG-CB 4.24Å; E257-L311 PolarHBondContact OE1-N 3.29Å; L311-H318 HydrophobicContact CD1-CB 4.23Å |
| 312 | V | 86.6 | Confident | 82.9 | Confident | 59 Ų | 59 | 76.1 Ų | 76.1 | 36% | 0.358 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.9 | 177.6 | -177.4 | 0 | 0 | 0 | 0 | 109.3 | L319 M321 | V312-L319 PolarHBondContact N-O 3.05Å; V312-L319 PolarHBondContact O-N 3.19Å; V312-M321 HydrophobicContact CB-SD 4.4Å; V312-M321 HydrophobicContact CG2-CG 4.02Å; V312-M321 HydrophobicContact CG2-SD 3.73Å |
| 313 | N | 83.1 | Confident | 83.8 | Confident | 105 Ų | 105 | 66.5 Ų | 66.5 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 110.4 | 176.7 | -67 | -24.8 | 0 | 0 | 0 | 109.6 | H318 | N313-H318 PolarHBondContact OD1-ND1 3.22Å |
| 314 | A | 70.6 | Confident | 84.6 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 41% | 0.413 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 80.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | H316 F317 L319 | A314-H316 PolarHBondContact O-N 3.19Å; A314-F317 PolarHBondContact N-O 3.38Å; A314-F317 PolarHBondContact O-N 3.24Å; A314-L319 HydrophobicContact CB-CD1 3.94Å |
| 315 | G | 74.7 | Confident | 85.3 | Confident | 71 Ų | 71 | 62 Ų | 62 | 73% | 0.732 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | -122.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | F317 | G315-F317 VanDerWaalsContact C-N 3.33Š|
| 316 | H | 69.8 | Low | 85.7 | Confident | 186 Ų | 186 | 58.7 Ų | 58.7 | 86% | 0.861 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | 2.7 | 175.9 | -65 | 92.7 | 0 | 0 | 0 | 113.4 | A314 | A314-H316 PolarHBondContact O-N 3.19Š|
| 317 | F | 72.3 | Confident | 86.2 | Confident | 142 Ų | 142 | 55.3 Ų | 55.3 | 62% | 0.623 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 124.1 | -179.6 | -60.6 | -77.3 | 0 | 0 | 0 | 110.7 | A314 G315 | A314-F317 PolarHBondContact N-O 3.38Å; A314-F317 PolarHBondContact O-N 3.24Å; G315-F317 VanDerWaalsContact C-N 3.33Å |
| 318 | H | 82.9 | Confident | 86.3 | Confident | 71 Ų | 71 | 57.5 Ų | 57.5 | 33% | 0.329 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 121.7 | 170.6 | -59.3 | -64.6 | 0 | 0 | 0 | 109.4 | L253 L311 N313 | L253-H318 HydrophobicContact CB-CB 4.42Å; L311-H318 HydrophobicContact CD1-CB 4.23Å; N313-H318 PolarHBondContact OD1-ND1 3.22Å |
| 319 | L | 87.8 | Confident | 86.6 | Confident | 33 Ų | 33 | 50.8 Ų | 50.8 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.4 | 178.7 | -61.3 | 174.3 | 0 | 0 | 0 | 109 | V312 A314 T350 V351 | V312-L319 PolarHBondContact N-O 3.05Å; V312-L319 PolarHBondContact O-N 3.19Å; A314-L319 HydrophobicContact CB-CD1 3.94Å; L319-T350 HydrophobicContact CB-CG2 4.12Å; L319-V351 WeakPolarHBondContact CA-O 3.43Å |
| 320 | C | 89.4 | Confident | 86.4 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 116.4 | 171.2 | -162.9 | 0 | 0 | 0 | 0 | 109.7 | L253 C256 V323 T350 V351 | L253-C320 HydrophobicContact CD2-CB 4.34Å; C256-C320 HydrophobicContact CB-CB 3.67Å; C256-C320 WeakPolarHBondContact CB-SG 3.36Å; C256-C320 WeakPolarHBondContact SG-CB 3.29Å; C256-C320 CovalentContact SG-SG 2.04Å; C256-C320 PolarHBondContact SG-SG 2.74Å; C320-V323 HydrophobicContact CB-CG2 3.79Å; C320-V323 WeakPolarHBondContact SG-CG2 3.33Å; C320-T350 CarbonylContact O-C 3.53Å; C320-T350 VanDerWaalsContact O-CA 3.29Å; C320-T350 WeakPolarHBondContact O-CA 3.49Å; C320-V351 PolarHBondContact N-O 2.91Å; C320-V351 PolarHBondContact O-N 2.58Å |
| 321 | M | 90.1 | Very high | 86.5 | Confident | 78 Ų | 78 | 50.2 Ų | 50.2 | 38% | 0.384 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 162 | 177.9 | -66.6 | -170.5 | 65.6 | 0 | 0 | 111.4 | P309 A310 V312 V323 T350 | P309-M321 WeakPolarHBondContact CA-O 3.5Å; A310-M321 PolarHBondContact N-O 2.96Å; A310-M321 VanDerWaalsContact N-O 3.09Å; A310-M321 PolarHBondContact O-N 3.03Å; V312-M321 HydrophobicContact CB-SD 4.4Å; V312-M321 HydrophobicContact CG2-CG 4.02Å; V312-M321 HydrophobicContact CG2-SD 3.73Å; M321-V323 PolarHBondContact O-N 2.83Å; M321-T350 HydrophobicContact CG-CG2 3.98Å |
| 322 | N | 90.1 | Very high | 86.5 | Confident | 34 Ų | 34 | 49 Ų | 49 | 18% | 0.182 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 58.5 | 29.6 | 178.7 | -53.7 | -31.8 | 0 | 0 | 0 | 114.3 | L307 Q308 L348 G349 | L307-N322 HydrophobicContact CB-CB 4.21Å; Q308-N322 WeakPolarHBondContact O-CB 3.27Å; Q308-N322 PolarHBondContact O-ND2 2.8Å; N322-L348 HydrophobicContact CB-CD1 4.4Å; N322-G349 PolarHBondContact N-O 3.26Å |
| 323 | V | 92.7 | Very high | 86.4 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 129.9 | 178.1 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | L262 C320 M321 L325 L348 G349 V351 L358 | L262-V323 HydrophobicContact CB-CG1 4.16Å; L262-V323 HydrophobicContact CD1-CG1 4.38Å; L262-V323 HydrophobicContact CD2-CG1 3.84Å; L262-V323 HydrophobicContact CG-CG1 4.32Å; C320-V323 HydrophobicContact CB-CG2 3.79Å; C320-V323 WeakPolarHBondContact SG-CG2 3.33Å; M321-V323 PolarHBondContact O-N 2.83Å; V323-L325 PolarHBondContact O-N 2.88Å; V323-L348 CarbonylContact O-C 3.41Å; V323-L348 VanDerWaalsContact O-CA 3.25Å; V323-L348 WeakPolarHBondContact O-CA 3.42Å; V323-G349 PolarHBondContact N-O 3.06Å; V323-G349 PolarHBondContact O-N 3.2Å; V323-V351 HydrophobicContact CB-CG2 3.93Å; V323-V351 HydrophobicContact CG1-CG2 3.87Å; V323-V351 HydrophobicContact CG2-CG2 4.06Å; V323-L358 HydrophobicContact CG1-CD2 3.77Å |
| 324 | V | 94.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 114.9 | 174.2 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | L262 M264 Y267 V327 F346 L348 Q360 | L262-V324 WeakPolarHBondContact O-CG2 3.31Å; L262-V324 PolarHBondContact O-N 3.21Å; M264-V324 HydrophobicContact CG-CG2 4.16Å; Y267-V324 HydrophobicContact CD2-CG1 4.41Å; Y267-V324 HydrophobicContact CE2-CB 4.39Å; Y267-V324 HydrophobicContact CE2-CG1 3.98Å; Y267-V324 HydrophobicContact CE2-CG2 4.42Å; V324-V327 HydrophobicContact CG1-CG2 3.3Å; V324-F346 HydrophobicContact CG1-CD1 4.13Å; V324-F346 HydrophobicContact CG1-CE1 4.4Å; V324-F346 HydrophobicContact CG2-CD1 4.01Å; V324-F346 HydrophobicContact CG2-CE1 4.06Å; V324-L348 HydrophobicContact CB-CD2 4.38Å; V324-L348 HydrophobicContact CG2-CD2 3.67Å; V324-Q360 PolarHBondContact O-NE2 3.45Å |
| 325 | L | 91.8 | Very high | 86.1 | Confident | 26 Ų | 26 | 46.7 Ų | 46.7 | 14% | 0.136 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | -39.2 | 174.1 | -58.8 | -175.6 | 0 | 0 | 0 | 111.8 | Q292 V323 L347 V351 L358 Q360 K361 | Q292-L325 HydrophobicContact CB-CD1 4.3Å; V323-L325 PolarHBondContact O-N 2.88Å; L325-L347 WeakPolarHBondContact CA-O 3.39Å; L325-L347 HydrophobicContact CB-CD2 4.36Å; L325-L347 HydrophobicContact CB-CG 4.32Å; L325-L347 WeakPolarHBondContact CB-O 3.37Å; L325-L347 PolarHBondContact N-O 2.84Å; L325-V351 HydrophobicContact CD2-CG2 4.37Å; L325-L358 HydrophobicContact CD2-CD1 3.64Å; L325-L358 HydrophobicContact CD2-CD2 4.31Å; L325-L358 HydrophobicContact CD2-CG 4.44Å; L325-Q360 CarbonylContact O-C 3.42Å; L325-Q360 VanDerWaalsContact O-CA 3.31Å; L325-Q360 WeakPolarHBondContact O-CA 3.42Å; L325-K361 PolarHBondContact O-N 3.33Å |
| 326 | E | 93.5 | Very high | 85.8 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 15% | 0.15 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 138.9 | 177.9 | -167.7 | 169.5 | 178.8 | 0 | 0 | 111.4 | K328 F346 L347 K361 | E326-K328 HydrophobicContact CG-CG 4.33Å; E326-K328 WeakPolarHBondContact OE1-CE 3.48Å; E326-K328 IonicContact OE1-NZ 2.66Å; E326-F346 WeakPolarHBondContact O-CA 3.29Å; E326-L347 HydrophobicContact CB-CB 3.61Å; E326-L347 HydrophobicContact CB-CD2 4.25Å; E326-L347 PolarHBondContact N-O 3.21Å; E326-L347 VanDerWaalsContact N-O 3.12Å; E326-L347 PolarHBondContact O-N 3.46Å; E326-K361 CarbonylContact C-O 3.37Å; E326-K361 WeakPolarHBondContact CA-O 3.11Å; E326-K361 HydrophobicContact CB-CB 4.38Å; E326-K361 HydrophobicContact CG-CB 3.95Å; E326-K361 HydrophobicContact CG-CD 4.26Å; E326-K361 HydrophobicContact CG-CG 4.12Å; E326-K361 WeakPolarHBondContact OE1-CD 3.46Å; E326-K361 WeakPolarHBondContact OE1-CE 3.19Å; E326-K361 IonicContact OE1-NZ 2.6Å; E326-K361 PolarHBondContact OE1-NZ 2.82Å |
| 327 | V | 95.2 | Very high | 85.8 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 130.5 | 171.7 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | Y267 V324 Y329 L344 F346 K361 F362 E363 | Y267-V327 HydrophobicContact CD1-CG1 4.35Å; Y267-V327 HydrophobicContact CD1-CG2 4.19Å; Y267-V327 HydrophobicContact CD2-CG2 3.91Å; Y267-V327 HydrophobicContact CE1-CG2 4.26Å; Y267-V327 HydrophobicContact CE2-CG2 3.98Å; Y267-V327 HydrophobicContact CG-CG1 4.28Å; Y267-V327 HydrophobicContact CG-CG2 4.01Å; V324-V327 HydrophobicContact CG1-CG2 3.3Å; V327-Y329 HydrophobicContact CG1-CD2 3.94Å; V327-Y329 HydrophobicContact CG1-CE2 3.59Å; V327-L344 HydrophobicContact CG1-CD1 4.06Å; V327-L344 HydrophobicContact CG1-CD2 4.01Å; V327-L344 HydrophobicContact CG1-CG 4.07Å; V327-F346 HydrophobicContact CG1-CE1 4.26Å; V327-F346 HydrophobicContact CG2-CD1 3.98Å; V327-F346 HydrophobicContact CG2-CE1 3.92Å; V327-K361 PolarHBondContact N-O 3.3Å; V327-F362 HydrophobicContact CB-CD1 3.84Å; V327-F362 HydrophobicContact CB-CE1 4.21Å; V327-F362 HydrophobicContact CG2-CD1 3.89Å; V327-F362 HydrophobicContact CG2-CE1 3.73Å; V327-F362 CarbonylContact O-C 3.5Å; V327-F362 WeakPolarHBondContact O-CA 3.45Å; V327-E363 PolarHBondContact O-N 3.23Å |
| 328 | K | 90.8 | Very high | 86.4 | Confident | 82 Ų | 82 | 39.4 Ų | 39.4 | 36% | 0.357 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 113.7 | 173.9 | -57.2 | -168.4 | 177.8 | -170.1 | 0 | 110.6 | E326 L344 S345 E363 | E326-K328 HydrophobicContact CG-CG 4.33Å; E326-K328 WeakPolarHBondContact OE1-CE 3.48Å; E326-K328 IonicContact OE1-NZ 2.66Å; K328-L344 CarbonylContact O-C 3.55Å; K328-L344 WeakPolarHBondContact O-CA 3.25Å; K328-S345 PolarHBondContact N-O 3.21Å; K328-S345 PolarHBondContact O-N 2.68Å; K328-E363 CarbonylContact C-O 3.45Å; K328-E363 WeakPolarHBondContact CA-O 3.07Å; K328-E363 WeakPolarHBondContact CE-OE2 3.42Å; K328-E363 HydrophobicContact CG-CB 4.17Å; K328-E363 IonicContact NZ-OE2 3.2Å |
| 329 | Y | 92 | Very high | 86.7 | Confident | 3 Ų | 3 | 36 Ų | 36 | 1% | 0.012 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 135.8 | 170.9 | -73.3 | -87.2 | 0 | 0 | 0 | 110.4 | L220 F222 Y267 I284 V327 L331 L344 E363 I364 H365 | L220-Y329 HydrophobicContact CD1-CE1 4.07Å; L220-Y329 HydrophobicContact CD2-CD1 4.35Å; L220-Y329 HydrophobicContact CD2-CE1 4.27Å; F222-Y329 HydrophobicContact CD2-CD2 4.1Å; F222-Y329 HydrophobicContact CD2-CE2 4.28Å; F222-Y329 HydrophobicContact CE2-CD2 4.34Å; Y267-Y329 WeakPolarHBondContact CA-OH 3.29Å; Y267-Y329 WeakPolarHBondContact CB-OH 3.1Å; Y267-Y329 HydrophobicContact CD1-CE2 4.46Å; Y267-Y329 WeakPolarHBondContact CD1-OH 3.42Å; Y267-Y329 PolarHBondContact O-OH 3.23Å; I284-Y329 HydrophobicContact CD1-CE1 4.15Å; V327-Y329 HydrophobicContact CG1-CD2 3.94Å; V327-Y329 HydrophobicContact CG1-CE2 3.59Å; Y329-L331 HydrophobicContact CD1-CD1 4.5Å; Y329-L344 HydrophobicContact CD1-CD1 3.62Å; Y329-L344 HydrophobicContact CD1-CG 4.41Å; Y329-L344 HydrophobicContact CE1-CD1 3.18Å; Y329-L344 HydrophobicContact CE1-CG 4.37Å; Y329-L344 HydrophobicContact CE2-CD1 4.17Å; Y329-L344 HydrophobicContact CG-CD1 4.27Å; Y329-L344 VanDerWaalsContact CZ-CD1 3.48Å; Y329-E363 PolarHBondContact N-O 2.88Å; Y329-I364 HydrophobicContact CG-CD1 4.49Å; Y329-I364 WeakPolarHBondContact O-CA 3.33Å; Y329-H365 PolarHBondContact O-N 3.42Å |
| 330 | S | 88.5 | Confident | 86.8 | Confident | 32 Ų | 32 | 36.3 Ų | 36.3 | 22% | 0.224 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 102.7 | 174 | 173.5 | 0 | 0 | 0 | 0 | 109.2 | D343 H365 L367 | S330-D343 PolarHBondContact N-O 3.48Å; S330-D343 WeakPolarHBondContact O-CB 2.97Å; S330-D343 PolarHBondContact O-N 3.33Å; S330-H365 WeakPolarHBondContact CA-O 2.97Å; S330-L367 VanDerWaalsContact OG-CD1 3.26Å; S330-L367 WeakPolarHBondContact OG-CD1 3.37Å |
| 331 | L | 90.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 129 | -176 | -70.4 | 81.6 | 0 | 0 | 0 | 110.2 | L213 I272 Y329 V339 K341 A342 I364 H365 F366 L367 | L213-L331 HydrophobicContact CD1-CD2 3.46Å; L213-L331 VanDerWaalsContact CD1-CD2 3.46Å; L213-L331 HydrophobicContact CD2-CD2 4.29Å; I272-L331 HydrophobicContact CD1-CD2 3.7Å; I272-L331 HydrophobicContact CD1-CG 4.46Å; Y329-L331 HydrophobicContact CD1-CD1 4.5Å; L331-V339 HydrophobicContact CD2-CG1 4.35Å; L331-K341 CarbonylContact C-O 3.6Å; L331-K341 WeakPolarHBondContact CA-O 3.36Å; L331-A342 HydrophobicContact CG-CB 4.29Å; L331-I364 HydrophobicContact CD1-CD1 3.72Å; L331-I364 HydrophobicContact CD1-CG1 3.8Å; L331-H365 PolarHBondContact N-O 2.73Å; L331-F366 HydrophobicContact CB-CD1 3.9Å; L331-F366 HydrophobicContact CB-CE1 4.07Å; L331-F366 HydrophobicContact CD2-CE1 3.93Å; L331-F366 HydrophobicContact CG-CE1 4.44Å; L331-F366 CarbonylContact O-C 3.51Å; L331-F366 WeakPolarHBondContact O-CA 3.11Å; L331-L367 PolarHBondContact O-N 3.28Å |
| 332 | T | 88.7 | Confident | 87.1 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 14% | 0.135 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 136.3 | 173.8 | -49.3 | 0 | 0 | 0 | 0 | 111 | T340 K341 L367 E369 | T332-T340 PolarHBondContact O-N 3.22Å; T332-T340 PolarHBondContact O-OG1 3.47Å; T332-K341 PolarHBondContact N-O 2.93Å; T332-K341 PolarHBondContact O-N 3.44Å; T332-L367 CarbonylContact C-O 3.59Å; T332-L367 WeakPolarHBondContact CA-O 3.16Å; T332-E369 HydrophobicContact CG2-CB 3.89Å; T332-E369 HydrophobicContact CG2-CG 4.3Å |
| 333 | Y | 85.8 | Confident | 87.3 | Confident | 23 Ų | 23 | 36.1 Ų | 36.1 | 9% | 0.09 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 155.4 | -178.4 | 74.4 | -82.2 | 0 | 0 | 0 | 113.8 | F239 L240 E338 F366 L367 Q368 E369 | F239-Y333 HydrophobicContact CE2-CG 4.15Å; F239-Y333 AromaticContact CZ-CD2 3.83Å; F239-Y333 HydrophobicContact CZ-CD2 3.83Å; F239-Y333 AromaticContact CZ-CG 3.91Å; F239-Y333 HydrophobicContact CZ-CG 3.91Å; L240-Y333 HydrophobicContact CD1-CE2 4.47Å; L240-Y333 HydrophobicContact CD2-CD1 3.78Å; L240-Y333 HydrophobicContact CD2-CD2 4.15Å; L240-Y333 HydrophobicContact CD2-CE1 3.3Å; L240-Y333 HydrophobicContact CD2-CE2 3.75Å; L240-Y333 HydrophobicContact CD2-CG 4.19Å; Y333-E338 CarbonylContact C-O 3.52Å; Y333-E338 WeakPolarHBondContact CA-O 3.43Å; Y333-E338 WeakPolarHBondContact CB-O 3.43Å; Y333-F366 HydrophobicContact CD1-CB 4.13Å; Y333-F366 HydrophobicContact CE1-CB 3.98Å; Y333-L367 WeakPolarHBondContact CD1-O 3.12Å; Y333-L367 PolarHBondContact N-O 3.27Å; Y333-Q368 HydrophobicContact CD1-CB 4.3Å; Y333-Q368 HydrophobicContact CD2-CG 4.41Å; Y333-Q368 HydrophobicContact CE1-CB 3.68Å; Y333-Q368 HydrophobicContact CE1-CG 4.48Å; Y333-Q368 HydrophobicContact CE2-CB 3.99Å; Y333-Q368 HydrophobicContact CE2-CG 3.93Å; Y333-Q368 CarbonylContact O-C 3.52Å; Y333-Q368 WeakPolarHBondContact O-CA 3.34Å; Y333-Q368 PolarHBondContact OH-OE1 2.77Å; Y333-E369 PolarHBondContact O-N 3.48Å |
| 334 | T | 78.3 | Confident | 87.4 | Confident | 20 Ų | 20 | 36 Ų | 36 | 12% | 0.123 | 17% | 0.174 | C | C | . | . | trans | -85.5 | 166.1 | 178.6 | 66.5 | 0 | 0 | 0 | 0 | 112.9 | R336 G337 E338 T340 | T334-R336 PolarHBondContact O-N 3.19Å; T334-R336 VanDerWaalsContact O-N 3.09Å; T334-R336 PolarHBondContact OG1-N 3.18Å; T334-G337 PolarHBondContact O-N 3.17Å; T334-E338 HydrophobicContact CG2-CB 4.44Å; T334-E338 PolarHBondContact N-O 3.02Å; T334-E338 WeakPolarHBondContact OG1-CB 3.39Å; T334-E338 PolarHBondContact OG1-N 3.08Å; T334-T340 HydrophobicContact CG2-CG2 3.44Å; T334-T340 VanDerWaalsContact CG2-CG2 3.44Å | ||
| 335 | D | 68.4 | Low | 87.3 | Confident | 123 Ų | 123 | 37.6 Ų | 37.6 | 66% | 0.658 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -17.7 | 170.9 | 69.1 | -26.8 | 0 | 0 | 0 | 114.1 | G337 | D335-G337 VanDerWaalsContact C-N 3.35Š|
| 336 | R | 67.6 | Low | 87.4 | Confident | 179 Ų | 179 | 36.7 Ų | 36.7 | 68% | 0.675 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | -5.5 | 174.6 | -61.7 | -176.2 | -178.9 | -170 | -1.2 | 113.8 | K206 T334 E338 | K206-R336 WeakPolarHBondContact CB-O 3.48Å; T334-R336 PolarHBondContact O-N 3.19Å; T334-R336 VanDerWaalsContact O-N 3.09Å; T334-R336 PolarHBondContact OG1-N 3.18Å; R336-E338 HydrophobicContact CB-CG 4.43Å |
| 337 | G | 70.4 | Confident | 87.2 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 9% | 0.093 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 80 | 31.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y207 T334 D335 | Y207-G337 PolarHBondContact N-O 3.2Å; T334-G337 PolarHBondContact O-N 3.17Å; D335-G337 VanDerWaalsContact C-N 3.35Å |
| 338 | E | 85.6 | Confident | 87.1 | Confident | 58 Ų | 58 | 36.2 Ų | 36.2 | 27% | 0.271 | 18% | 0.179 | S | C | . | . | trans | -102.7 | 135 | 173.4 | -58 | -178.7 | 157.7 | 0 | 0 | 109.8 | R274 A275 Y333 T334 R336 | R274-E338 HydrophobicContact CG-CB 3.94Å; R274-E338 CarbonylContact O-C 3.53Å; R274-E338 VanDerWaalsContact O-CA 3.3Å; R274-E338 WeakPolarHBondContact O-CA 3.33Å; A275-E338 HydrophobicContact CB-CG 4.47Å; Y333-E338 CarbonylContact C-O 3.52Å; Y333-E338 WeakPolarHBondContact CA-O 3.43Å; Y333-E338 WeakPolarHBondContact CB-O 3.43Å; T334-E338 HydrophobicContact CG2-CB 4.44Å; T334-E338 PolarHBondContact N-O 3.02Å; T334-E338 WeakPolarHBondContact OG1-CB 3.39Å; T334-E338 PolarHBondContact OG1-N 3.08Å; R336-E338 HydrophobicContact CB-CG 4.43Å | ||
| 339 | V | 89.2 | Confident | 87 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 126.7 | 173.7 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | Y207 L213 F239 R274 V282 L331 | Y207-V339 HydrophobicContact CD2-CG2 4.1Å; Y207-V339 HydrophobicContact CE2-CG2 4.13Å; L213-V339 HydrophobicContact CD2-CG2 3.94Å; F239-V339 HydrophobicContact CD2-CG2 4.21Å; F239-V339 HydrophobicContact CE2-CG2 3.88Å; R274-V339 WeakPolarHBondContact CG-O 3.16Å; R274-V339 PolarHBondContact O-N 3.23Å; V282-V339 WeakPolarHBondContact CG2-O 3.06Å; L331-V339 HydrophobicContact CD2-CG1 4.35Å |
| 340 | T | 89.5 | Confident | 86.8 | Confident | 40 Ų | 40 | 33.8 Ų | 33.8 | 25% | 0.245 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | -31.6 | -178.3 | 50.7 | 0 | 0 | 0 | 0 | 113 | T332 T334 | T332-T340 PolarHBondContact O-N 3.22Å; T332-T340 PolarHBondContact O-OG1 3.47Å; T334-T340 HydrophobicContact CG2-CG2 3.44Å; T334-T340 VanDerWaalsContact CG2-CG2 3.44Å |
| 341 | K | 92.2 | Very high | 86.7 | Confident | 89 Ų | 89 | 32.4 Ų | 32.4 | 39% | 0.387 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 145.5 | 179.8 | -158.7 | -173.9 | -177.5 | -151.3 | 0 | 110.7 | L331 T332 D343 | L331-K341 CarbonylContact C-O 3.6Å; L331-K341 WeakPolarHBondContact CA-O 3.36Å; T332-K341 PolarHBondContact N-O 2.93Å; T332-K341 PolarHBondContact O-N 3.44Å; K341-D343 WeakPolarHBondContact CD-OD2 3.37Å; K341-D343 WeakPolarHBondContact CE-OD1 3.34Å; K341-D343 WeakPolarHBondContact CE-OD2 3.48Å; K341-D343 VanDerWaalsContact NZ-CG 3.35Å; K341-D343 IonicContact NZ-OD1 3.57Å; K341-D343 PolarHBondContact NZ-OD1 2.84Å; K341-D343 IonicContact NZ-OD2 3.23Å; K341-D343 PolarHBondContact NZ-OD2 3.21Å |
| 342 | A | 94.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 115.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | I272 V282 I284 T285 L331 | I272-A342 HydrophobicContact CD1-CB 3.88Å; V282-A342 HydrophobicContact CG1-CB 4.32Å; I284-A342 WeakPolarHBondContact CA-O 3.49Å; I284-A342 HydrophobicContact CG1-CB 3.93Å; T285-A342 PolarHBondContact N-O 2.91Å; T285-A342 PolarHBondContact OG1-O 3.47Å; L331-A342 HydrophobicContact CG-CB 4.29Å |
| 343 | D | 93.4 | Very high | 85.7 | Confident | 18 Ų | 18 | 35.9 Ų | 35.9 | 10% | 0.096 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 149.5 | -178.6 | -71.8 | -35.1 | 0 | 0 | 0 | 110.4 | T285 Q287 S330 K341 | T285-D343 CarbonylContact O-C 3.56Å; T285-D343 WeakPolarHBondContact O-CA 3.44Å; T285-D343 PolarHBondContact OG1-OD1 2.84Å; Q287-D343 HydrophobicContact CG-CB 3.61Å; Q287-D343 WeakPolarHBondContact CG-OD1 2.95Å; Q287-D343 PolarHBondContact NE2-OD1 3.21Å; S330-D343 PolarHBondContact N-O 3.48Å; S330-D343 WeakPolarHBondContact O-CB 2.97Å; S330-D343 PolarHBondContact O-N 3.33Å; K341-D343 WeakPolarHBondContact CD-OD2 3.37Å; K341-D343 WeakPolarHBondContact CE-OD1 3.34Å; K341-D343 WeakPolarHBondContact CE-OD2 3.48Å; K341-D343 VanDerWaalsContact NZ-CG 3.35Å; K341-D343 IonicContact NZ-OD1 3.57Å; K341-D343 PolarHBondContact NZ-OD1 2.84Å; K341-D343 IonicContact NZ-OD2 3.23Å; K341-D343 PolarHBondContact NZ-OD2 3.21Å |
| 344 | L | 94.4 | Very high | 84.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 137.5 | -177.8 | -157.5 | 142.1 | 0 | 0 | 0 | 111.7 | I284 T285 V286 Q287 V327 K328 Y329 F346 | I284-L344 HydrophobicContact CG2-CB 3.73Å; I284-L344 HydrophobicContact CG2-CD1 3.81Å; I284-L344 HydrophobicContact CG2-CG 4.42Å; T285-L344 PolarHBondContact O-N 3.38Å; V286-L344 CarbonylContact C-O 3.55Å; V286-L344 WeakPolarHBondContact CA-O 3.19Å; Q287-L344 PolarHBondContact N-O 2.92Å; V327-L344 HydrophobicContact CG1-CD1 4.06Å; V327-L344 HydrophobicContact CG1-CD2 4.01Å; V327-L344 HydrophobicContact CG1-CG 4.07Å; K328-L344 CarbonylContact O-C 3.55Å; K328-L344 WeakPolarHBondContact O-CA 3.25Å; Y329-L344 HydrophobicContact CD1-CD1 3.62Å; Y329-L344 HydrophobicContact CD1-CG 4.41Å; Y329-L344 HydrophobicContact CE1-CD1 3.18Å; Y329-L344 HydrophobicContact CE1-CG 4.37Å; Y329-L344 HydrophobicContact CE2-CD1 4.17Å; Y329-L344 HydrophobicContact CG-CD1 4.27Å; Y329-L344 VanDerWaalsContact CZ-CD1 3.48Å; L344-F346 HydrophobicContact CD2-CD1 3.87Å; L344-F346 HydrophobicContact CD2-CD2 3.39Å; L344-F346 HydrophobicContact CD2-CE1 3.47Å; L344-F346 VanDerWaalsContact CD2-CE1 3.47Å; L344-F346 HydrophobicContact CD2-CE2 2.99Å; L344-F346 HydrophobicContact CD2-CG 3.85Å; L344-F346 HydrophobicContact CD2-CZ 3.03Å; L344-F346 HydrophobicContact CG-CE2 4.44Å; L344-F346 HydrophobicContact CG-CZ 4.4Å |
| 345 | S | 93 | Very high | 84.3 | Confident | 33 Ų | 33 | 43.5 Ų | 43.5 | 23% | 0.231 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.7 | 175.3 | -64.9 | 0 | 0 | 0 | 0 | 110.7 | S288 K328 | S288-S345 WeakPolarHBondContact O-CA 3.4Å; S288-S345 VanDerWaalsContact OG-CB 3.26Å; S288-S345 WeakPolarHBondContact OG-CB 3.46Å; S288-S345 PolarHBondContact OG-OG 2.67Å; K328-S345 PolarHBondContact N-O 3.21Å; K328-S345 PolarHBondContact O-N 2.68Å |
| 346 | F | 93.4 | Very high | 84.6 | Confident | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 146.1 | -176.5 | -69.8 | -77.2 | 0 | 0 | 0 | 112.4 | M264 Y267 V286 S288 L290 V324 E326 V327 L344 L348 | M264-F346 HydrophobicContact CB-CE1 4.26Å; M264-F346 HydrophobicContact CB-CE2 3.87Å; M264-F346 HydrophobicContact CB-CZ 3.72Å; M264-F346 HydrophobicContact CE-CD2 3.48Å; M264-F346 VanDerWaalsContact CE-CD2 3.48Å; M264-F346 HydrophobicContact CE-CE2 3.54Å; M264-F346 HydrophobicContact CE-CG 4.35Å; M264-F346 HydrophobicContact CG-CD1 4.23Å; M264-F346 HydrophobicContact CG-CD2 4.01Å; M264-F346 HydrophobicContact CG-CE1 4.13Å; M264-F346 HydrophobicContact CG-CE2 3.84Å; M264-F346 HydrophobicContact CG-CG 4.15Å; M264-F346 HydrophobicContact CG-CZ 3.9Å; M264-F346 WeakPolarHBondContact O-CZ 3.47Å; M264-F346 HydrophobicContact SD-CD2 4.38Å; M264-F346 HydrophobicContact SD-CE2 4.5Å; Y267-F346 AromaticContact CD2-CE1 3.91Å; Y267-F346 HydrophobicContact CD2-CE1 3.91Å; Y267-F346 HydrophobicContact CG-CE1 4.25Å; V286-F346 HydrophobicContact CG1-CD2 4.04Å; V286-F346 HydrophobicContact CG1-CE2 4.27Å; V286-F346 HydrophobicContact CG2-CE2 4.02Å; S288-F346 PolarHBondContact O-N 3.16Å; L290-F346 PolarHBondContact N-O 3.25Å; V324-F346 HydrophobicContact CG1-CD1 4.13Å; V324-F346 HydrophobicContact CG1-CE1 4.4Å; V324-F346 HydrophobicContact CG2-CD1 4.01Å; V324-F346 HydrophobicContact CG2-CE1 4.06Å; E326-F346 WeakPolarHBondContact O-CA 3.29Å; V327-F346 HydrophobicContact CG1-CE1 4.26Å; V327-F346 HydrophobicContact CG2-CD1 3.98Å; V327-F346 HydrophobicContact CG2-CE1 3.92Å; L344-F346 HydrophobicContact CD2-CD1 3.87Å; L344-F346 HydrophobicContact CD2-CD2 3.39Å; L344-F346 HydrophobicContact CD2-CE1 3.47Å; L344-F346 VanDerWaalsContact CD2-CE1 3.47Å; L344-F346 HydrophobicContact CD2-CE2 2.99Å; L344-F346 HydrophobicContact CD2-CG 3.85Å; L344-F346 HydrophobicContact CD2-CZ 3.03Å; L344-F346 HydrophobicContact CG-CE2 4.44Å; L344-F346 HydrophobicContact CG-CZ 4.4Å; F346-L348 HydrophobicContact CB-CD2 4.22Å |
| 347 | L | 89.9 | Confident | 85.3 | Confident | 23 Ų | 23 | 35.4 Ų | 35.4 | 12% | 0.12 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 114.9 | 155.3 | -176.9 | 63.8 | 0 | 0 | 0 | 108.1 | L290 Q292 L298 L325 E326 | L290-L347 HydrophobicContact CB-CD1 3.68Å; L290-L347 CarbonylContact O-C 3.46Å; L290-L347 WeakPolarHBondContact O-CA 3.3Å; Q292-L347 HydrophobicContact CB-CD1 4.06Å; Q292-L347 HydrophobicContact CB-CG 4.48Å; L298-L347 HydrophobicContact CD2-CD1 3.52Å; L325-L347 WeakPolarHBondContact CA-O 3.39Å; L325-L347 HydrophobicContact CB-CD2 4.36Å; L325-L347 HydrophobicContact CB-CG 4.32Å; L325-L347 WeakPolarHBondContact CB-O 3.37Å; L325-L347 PolarHBondContact N-O 2.84Å; E326-L347 HydrophobicContact CB-CB 3.61Å; E326-L347 HydrophobicContact CB-CD2 4.25Å; E326-L347 PolarHBondContact N-O 3.21Å; E326-L347 VanDerWaalsContact N-O 3.12Å; E326-L347 PolarHBondContact O-N 3.46Å |
| 348 | L | 92.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 156 | 172.2 | -53.5 | -176.7 | 0 | 0 | 0 | 109.7 | M264 V289 L290 I291 Q292 L307 N322 V323 V324 F346 | M264-L348 HydrophobicContact CG-CD1 4.45Å; M264-L348 HydrophobicContact CG-CD2 3.83Å; M264-L348 HydrophobicContact SD-CD1 3.77Å; M264-L348 HydrophobicContact SD-CD2 4.21Å; M264-L348 HydrophobicContact SD-CG 4.48Å; V289-L348 HydrophobicContact CG1-CD1 3.68Å; V289-L348 HydrophobicContact CG1-CG 3.98Å; L290-L348 PolarHBondContact O-N 2.81Å; I291-L348 CarbonylContact C-O 3.12Å; Q292-L348 WeakPolarHBondContact CB-O 3.49Å; Q292-L348 PolarHBondContact N-O 3.4Å; L307-L348 HydrophobicContact CB-CD1 4.29Å; L307-L348 HydrophobicContact CD1-CD1 3.81Å; N322-L348 HydrophobicContact CB-CD1 4.4Å; V323-L348 CarbonylContact O-C 3.41Å; V323-L348 VanDerWaalsContact O-CA 3.25Å; V323-L348 WeakPolarHBondContact O-CA 3.42Å; V324-L348 HydrophobicContact CB-CD2 4.38Å; V324-L348 HydrophobicContact CG2-CD2 3.67Å; F346-L348 HydrophobicContact CB-CD2 4.22Å |
| 349 | G | 89.2 | Confident | 86.3 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | -175.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q292 N322 V323 | Q292-G349 WeakPolarHBondContact O-CA 3.33Å; N322-G349 PolarHBondContact N-O 3.26Å; V323-G349 PolarHBondContact N-O 3.06Å; V323-G349 PolarHBondContact O-N 3.2Å |
| 350 | T | 88.1 | Confident | 86.4 | Confident | 32 Ų | 32 | 38.2 Ų | 38.2 | 20% | 0.196 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 127.3 | 177.5 | -53.1 | 0 | 0 | 0 | 0 | 110 | L294 L319 C320 M321 | L294-T350 HydrophobicContact CD2-CG2 4.19Å; L319-T350 HydrophobicContact CB-CG2 4.12Å; C320-T350 CarbonylContact O-C 3.53Å; C320-T350 VanDerWaalsContact O-CA 3.29Å; C320-T350 WeakPolarHBondContact O-CA 3.49Å; M321-T350 HydrophobicContact CG-CG2 3.98Å |
| 351 | V | 87.2 | Confident | 86.5 | Confident | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 135.5 | -179.9 | -174.2 | 0 | 0 | 0 | 0 | 109.7 | L253 L319 C320 V323 L325 V355 V356 L358 | L253-V351 HydrophobicContact CD2-CG1 4.17Å; L319-V351 WeakPolarHBondContact CA-O 3.43Å; C320-V351 PolarHBondContact N-O 2.91Å; C320-V351 PolarHBondContact O-N 2.58Å; V323-V351 HydrophobicContact CB-CG2 3.93Å; V323-V351 HydrophobicContact CG1-CG2 3.87Å; V323-V351 HydrophobicContact CG2-CG2 4.06Å; L325-V351 HydrophobicContact CD2-CG2 4.37Å; V351-V355 HydrophobicContact CG1-CB 4.43Å; V351-V356 HydrophobicContact CG1-CG2 4.46Å; V351-L358 HydrophobicContact CG1-CD1 4.4Å; V351-L358 HydrophobicContact CG2-CD1 3.73Å; V351-L358 HydrophobicContact CG2-CD2 4.24Å |
| 352 | S | 84.2 | Confident | 86.5 | Confident | 19 Ų | 19 | 34.3 Ų | 34.3 | 13% | 0.133 | 20% | 0.202 | C | C | . | . | trans | -123.5 | 172.6 | 174.2 | 73.7 | 0 | 0 | 0 | 0 | 110.4 | V354 V355 | S352-V354 PolarHBondContact O-N 3.42Å; S352-V354 VanDerWaalsContact O-N 3.07Å; S352-V355 PolarHBondContact O-N 2.73Å | ||
| 353 | S | 73.4 | Confident | 86.2 | Confident | 76 Ų | 76 | 35.5 Ų | 35.5 | 53% | 0.531 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -60.2 | -20.5 | -179.2 | 54.1 | 0 | 0 | 0 | 0 | 114 | L253 V355 | L253-S353 VanDerWaalsContact CD1-N 3.33Å; S353-V355 VanDerWaalsContact C-N 3.35Å |
| 354 | V | 68.2 | Low | 85.8 | Confident | 129 Ų | 129 | 34.7 Ų | 34.7 | 78% | 0.782 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -78.2 | -20.7 | 178.4 | -171.1 | 0 | 0 | 0 | 0 | 112.2 | S352 | S352-V354 PolarHBondContact O-N 3.42Å; S352-V354 VanDerWaalsContact O-N 3.07Å |
| 355 | V | 67.3 | Low | 85.2 | Confident | 73 Ų | 73 | 38.1 Ų | 38.1 | 44% | 0.442 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -104.6 | 12.8 | -172.6 | -160.3 | 0 | 0 | 0 | 0 | 111.6 | V351 S352 S353 P357 | V351-V355 HydrophobicContact CG1-CB 4.43Å; S352-V355 PolarHBondContact O-N 2.73Å; S353-V355 VanDerWaalsContact C-N 3.35Å; V355-P357 CarbonylContact O-C 3.27Å |
| 356 | V | 74.3 | Confident | 84.5 | Confident | 55 Ų | 55 | 37.5 Ų | 37.5 | 33% | 0.333 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -94.5 | 130.4 | 174.1 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | V351 | V351-V356 HydrophobicContact CG1-CG2 4.46Š|
| 357 | P | 81.1 | Confident | 83.8 | Confident | 77 Ų | 77 | 41.4 Ų | 41.4 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | S | Bend | cis | -82.4 | 142 | 9 | 36.4 | -37.8 | 0 | 0 | 0 | 113.4 | T248 V355 Q359 | T248-P357 HydrophobicContact CG2-CB 3.47Å; T248-P357 VanDerWaalsContact CG2-CB 3.47Å; T248-P357 HydrophobicContact CG2-CG 3.65Å; V355-P357 CarbonylContact O-C 3.27Å; P357-Q359 PolarHBondContact O-N 3.23Å |
| 358 | L | 88.4 | Confident | 83.1 | Confident | 5 Ų | 5 | 41.8 Ų | 41.8 | 3% | 0.026 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 125.3 | -175.5 | -179.5 | 67.5 | 0 | 0 | 0 | 110.2 | T248 R249 I251 L262 V323 L325 V351 Q360 | T248-L358 CarbonylContact C-O 3.57Å; T248-L358 WeakPolarHBondContact CA-O 3.34Å; R249-L358 PolarHBondContact N-O 3.39Å; R249-L358 PolarHBondContact O-N 2.97Å; I251-L358 HydrophobicContact CD1-CB 3.53Å; I251-L358 HydrophobicContact CD1-CD2 3.37Å; I251-L358 HydrophobicContact CD1-CG 4.06Å; I251-L358 HydrophobicContact CG1-CB 4.43Å; L262-L358 HydrophobicContact CD2-CD2 4.16Å; V323-L358 HydrophobicContact CG1-CD2 3.77Å; L325-L358 HydrophobicContact CD2-CD1 3.64Å; L325-L358 HydrophobicContact CD2-CD2 4.31Å; L325-L358 HydrophobicContact CD2-CG 4.44Å; V351-L358 HydrophobicContact CG1-CD1 4.4Å; V351-L358 HydrophobicContact CG2-CD1 3.73Å; V351-L358 HydrophobicContact CG2-CD2 4.24Å; L358-Q360 HydrophobicContact CD2-CG 3.77Å; L358-Q360 HydrophobicContact CG-CG 4.05Å |
| 359 | Q | 89.1 | Confident | 82.3 | Confident | 120 Ų | 120 | 45.9 Ų | 45.9 | 56% | 0.561 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 121.8 | 168.8 | -173.2 | 173.2 | 72.9 | 0 | 0 | 109.8 | C247 P357 | C247-Q359 WeakPolarHBondContact O-CA 3.36Å; P357-Q359 PolarHBondContact O-N 3.23Å |
| 360 | Q | 92.3 | Very high | 81 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 151.6 | 174.8 | -64.9 | 178.9 | -73.3 | 0 | 0 | 110.1 | R246 C247 A261 V324 L325 L358 F362 | R246-Q360 WeakPolarHBondContact CA-O 3.28Å; C247-Q360 PolarHBondContact N-O 2.8Å; C247-Q360 PolarHBondContact O-N 2.89Å; A261-Q360 PolarHBondContact O-NE2 2.77Å; V324-Q360 PolarHBondContact O-NE2 3.45Å; L325-Q360 CarbonylContact O-C 3.42Å; L325-Q360 VanDerWaalsContact O-CA 3.31Å; L325-Q360 WeakPolarHBondContact O-CA 3.42Å; L358-Q360 HydrophobicContact CD2-CG 3.77Å; L358-Q360 HydrophobicContact CG-CG 4.05Å; Q360-F362 HydrophobicContact CB-CD2 4.47Å; Q360-F362 HydrophobicContact CB-CE2 3.5Å; Q360-F362 HydrophobicContact CB-CZ 3.7Å; Q360-F362 HydrophobicContact CG-CZ 4.45Å |
| 361 | K | 91.5 | Very high | 79.3 | Confident | 47 Ų | 47 | 54.9 Ų | 54.9 | 20% | 0.204 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.5 | 179.5 | -176.3 | 177.6 | 173.6 | -133.9 | 0 | 110.6 | V245 R246 L325 E326 V327 E363 | V245-K361 CarbonylContact O-C 3.53Å; V245-K361 WeakPolarHBondContact O-CA 3.34Å; R246-K361 HydrophobicContact CG-CB 4.24Å; R246-K361 HydrophobicContact CG-CD 4.46Å; R246-K361 HydrophobicContact CG-CG 4.05Å; L325-K361 PolarHBondContact O-N 3.33Å; E326-K361 CarbonylContact C-O 3.37Å; E326-K361 WeakPolarHBondContact CA-O 3.11Å; E326-K361 HydrophobicContact CB-CB 4.38Å; E326-K361 HydrophobicContact CG-CB 3.95Å; E326-K361 HydrophobicContact CG-CD 4.26Å; E326-K361 HydrophobicContact CG-CG 4.12Å; E326-K361 WeakPolarHBondContact OE1-CD 3.46Å; E326-K361 WeakPolarHBondContact OE1-CE 3.19Å; E326-K361 IonicContact OE1-NZ 2.6Å; E326-K361 PolarHBondContact OE1-NZ 2.82Å; V327-K361 PolarHBondContact N-O 3.3Å; K361-E363 WeakPolarHBondContact CE-OE1 3.31Å; K361-E363 IonicContact NZ-OE1 3.49Å; K361-E363 PolarHBondContact NZ-OE1 3.29Å |
| 362 | F | 91.5 | Very high | 77.7 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.3 | -178.2 | -59.3 | -82.6 | 0 | 0 | 0 | 108.9 | F222 P223 A244 V245 C247 Y267 V327 Q360 | F222-F362 HydrophobicContact CD2-CB 4.43Å; F222-F362 HydrophobicContact CE1-CB 4.4Å; F222-F362 HydrophobicContact CE2-CB 3.7Å; F222-F362 HydrophobicContact CZ-CB 3.68Å; P223-F362 HydrophobicContact CB-CD1 4.4Å; P223-F362 HydrophobicContact CB-CD2 4.02Å; P223-F362 HydrophobicContact CB-CE1 4.22Å; P223-F362 HydrophobicContact CB-CE2 3.79Å; P223-F362 HydrophobicContact CB-CG 4.33Å; P223-F362 HydrophobicContact CB-CZ 3.91Å; P223-F362 HydrophobicContact CG-CD1 4.2Å; P223-F362 HydrophobicContact CG-CE1 3.91Å; P223-F362 HydrophobicContact CG-CE2 4.36Å; P223-F362 HydrophobicContact CG-CZ 3.99Å; A244-F362 CarbonylContact C-O 3.48Å; A244-F362 WeakPolarHBondContact CA-O 3.45Å; V245-F362 PolarHBondContact N-O 3.37Å; V245-F362 PolarHBondContact O-N 3.16Å; C247-F362 VanDerWaalsContact SG-CE2 3.58Å; Y267-F362 HydrophobicContact CE1-CD1 4.27Å; Y267-F362 AromaticContact CE1-CE1 3.7Å; Y267-F362 HydrophobicContact CE1-CE1 3.7Å; Y267-F362 HydrophobicContact CE2-CE1 4.49Å; Y267-F362 AromaticContact CZ-CE1 3.58Å; Y267-F362 VanDerWaalsContact OH-CE1 3.27Å; Y267-F362 WeakPolarHBondContact OH-CE1 3.4Å; Y267-F362 WeakPolarHBondContact OH-CZ 3.47Å; V327-F362 HydrophobicContact CB-CD1 3.84Å; V327-F362 HydrophobicContact CB-CE1 4.21Å; V327-F362 HydrophobicContact CG2-CD1 3.89Å; V327-F362 HydrophobicContact CG2-CE1 3.73Å; V327-F362 CarbonylContact O-C 3.5Å; V327-F362 WeakPolarHBondContact O-CA 3.45Å; Q360-F362 HydrophobicContact CB-CD2 4.47Å; Q360-F362 HydrophobicContact CB-CE2 3.5Å; Q360-F362 HydrophobicContact CB-CZ 3.7Å; Q360-F362 HydrophobicContact CG-CZ 4.45Å |
| 363 | E | 87.8 | Confident | 76.2 | Confident | 26 Ų | 26 | 64.9 Ų | 64.9 | 12% | 0.121 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 143.2 | 175.2 | -58 | -173.1 | 171.1 | 0 | 0 | 110.4 | Q243 A244 V327 K328 Y329 K361 H365 | Q243-E363 CarbonylContact O-C 3.45Å; Q243-E363 VanDerWaalsContact O-CA 3.24Å; Q243-E363 WeakPolarHBondContact O-CA 3.23Å; A244-E363 HydrophobicContact CB-CG 3.91Å; V327-E363 PolarHBondContact O-N 3.23Å; K328-E363 CarbonylContact C-O 3.45Å; K328-E363 WeakPolarHBondContact CA-O 3.07Å; K328-E363 WeakPolarHBondContact CE-OE2 3.42Å; K328-E363 HydrophobicContact CG-CB 4.17Å; K328-E363 IonicContact NZ-OE2 3.2Å; Y329-E363 PolarHBondContact N-O 2.88Å; K361-E363 WeakPolarHBondContact CE-OE1 3.31Å; K361-E363 IonicContact NZ-OE1 3.49Å; K361-E363 PolarHBondContact NZ-OE1 3.29Å; E363-H365 IonicContact OE2-NE2 2.71Å; E363-H365 PolarHBondContact OE2-NE2 3.47Å |
| 364 | I | 85.1 | Confident | 75.8 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 130.2 | 170.7 | -176.7 | 164.3 | 0 | 0 | 0 | 109.3 | L213 L220 F222 A237 N242 Q243 Y329 L331 F366 | L213-I364 HydrophobicContact CD1-CD1 4.39Å; L220-I364 HydrophobicContact CD2-CD1 4.32Å; F222-I364 HydrophobicContact CD2-CB 4.21Å; F222-I364 HydrophobicContact CD2-CG2 4.16Å; F222-I364 HydrophobicContact CE1-CG2 4.29Å; F222-I364 HydrophobicContact CE2-CB 3.81Å; F222-I364 HydrophobicContact CE2-CG2 3.75Å; F222-I364 HydrophobicContact CZ-CB 4.33Å; F222-I364 HydrophobicContact CZ-CG2 3.82Å; A237-I364 HydrophobicContact CB-CD1 3.98Å; N242-I364 VanDerWaalsContact CA-O 3.29Å; N242-I364 WeakPolarHBondContact CA-O 3.03Å; Q243-I364 HydrophobicContact CB-CG2 3.9Å; Q243-I364 HydrophobicContact CG-CG2 4.43Å; Q243-I364 PolarHBondContact N-O 3.14Å; Q243-I364 PolarHBondContact O-N 2.82Å; Y329-I364 HydrophobicContact CG-CD1 4.49Å; Y329-I364 WeakPolarHBondContact O-CA 3.33Å; L331-I364 HydrophobicContact CD1-CD1 3.72Å; L331-I364 HydrophobicContact CD1-CG1 3.8Å; I364-F366 HydrophobicContact CD1-CE2 4.12Å; I364-F366 HydrophobicContact CD1-CZ 3.91Å; I364-F366 HydrophobicContact CG1-CE2 3.97Å; I364-F366 HydrophobicContact CG1-CZ 4.21Å |
| 365 | H | 82.1 | Confident | 75.8 | Confident | 73 Ų | 73 | 60.1 Ų | 60.1 | 34% | 0.338 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 142.5 | 179 | -59.3 | -72.2 | 0 | 0 | 0 | 110.5 | N242 Y329 S330 L331 E363 | N242-H365 WeakPolarHBondContact OD1-CA 3.33Å; Y329-H365 PolarHBondContact O-N 3.42Å; S330-H365 WeakPolarHBondContact CA-O 2.97Å; L331-H365 PolarHBondContact N-O 2.73Å; E363-H365 IonicContact OE2-NE2 2.71Å; E363-H365 PolarHBondContact OE2-NE2 3.47Å |
| 366 | F | 78.3 | Confident | 76.6 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.9 | 175.9 | -64.6 | -92.9 | 0 | 0 | 0 | 110.2 | L213 A238 F239 L240 N242 L331 Y333 I364 | L213-F366 HydrophobicContact CD1-CE1 3.99Å; L213-F366 HydrophobicContact CD1-CZ 3.91Å; A238-F366 WeakPolarHBondContact O-CE2 3.28Å; A238-F366 VanDerWaalsContact O-CZ 3.31Å; A238-F366 WeakPolarHBondContact O-CZ 3.38Å; F239-F366 HydrophobicContact CD2-CD1 4.05Å; F239-F366 AromaticContact CD2-CE1 3.7Å; F239-F366 HydrophobicContact CD2-CE1 3.7Å; F239-F366 HydrophobicContact CE2-CD1 4.21Å; F239-F366 HydrophobicContact CE2-CE1 4.28Å; L240-F366 HydrophobicContact CD2-CB 3.84Å; L240-F366 HydrophobicContact CD2-CD1 4.27Å; L240-F366 HydrophobicContact CD2-CG 4.1Å; N242-F366 WeakPolarHBondContact OD1-CD2 3.03Å; N242-F366 PolarHBondContact OD1-N 3.19Å; L331-F366 HydrophobicContact CB-CD1 3.9Å; L331-F366 HydrophobicContact CB-CE1 4.07Å; L331-F366 HydrophobicContact CD2-CE1 3.93Å; L331-F366 HydrophobicContact CG-CE1 4.44Å; L331-F366 CarbonylContact O-C 3.51Å; L331-F366 WeakPolarHBondContact O-CA 3.11Å; Y333-F366 HydrophobicContact CD1-CB 4.13Å; Y333-F366 HydrophobicContact CE1-CB 3.98Å; I364-F366 HydrophobicContact CD1-CE2 4.12Å; I364-F366 HydrophobicContact CD1-CZ 3.91Å; I364-F366 HydrophobicContact CG1-CE2 3.97Å; I364-F366 HydrophobicContact CG1-CZ 4.21Å |
| 367 | L | 79.1 | Confident | 77.1 | Confident | 89 Ų | 89 | 55 Ų | 55 | 47% | 0.466 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127.5 | 177.9 | -61 | 173.2 | 0 | 0 | 0 | 108.3 | S330 L331 T332 Y333 | S330-L367 VanDerWaalsContact OG-CD1 3.26Å; S330-L367 WeakPolarHBondContact OG-CD1 3.37Å; L331-L367 PolarHBondContact O-N 3.28Å; T332-L367 CarbonylContact C-O 3.59Å; T332-L367 WeakPolarHBondContact CA-O 3.16Å; Y333-L367 WeakPolarHBondContact CD1-O 3.12Å; Y333-L367 PolarHBondContact N-O 3.27Å |
| 368 | Q | 74.7 | Confident | 77.2 | Confident | 30 Ų | 30 | 51.4 Ų | 51.4 | 14% | 0.14 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 135.6 | 174 | -175.8 | 171.7 | -1.8 | 0 | 0 | 109.8 | Y333 N370 T371 T404 | Y333-Q368 HydrophobicContact CD1-CB 4.3Å; Y333-Q368 HydrophobicContact CD2-CG 4.41Å; Y333-Q368 HydrophobicContact CE1-CB 3.68Å; Y333-Q368 HydrophobicContact CE1-CG 4.48Å; Y333-Q368 HydrophobicContact CE2-CB 3.99Å; Y333-Q368 HydrophobicContact CE2-CG 3.93Å; Y333-Q368 CarbonylContact O-C 3.52Å; Y333-Q368 WeakPolarHBondContact O-CA 3.34Å; Y333-Q368 PolarHBondContact OH-OE1 2.77Å; Q368-N370 PolarHBondContact O-N 3.2Å; Q368-T371 HydrophobicContact CB-CG2 3.53Å; Q368-T371 HydrophobicContact CG-CG2 3.98Å; Q368-T371 WeakPolarHBondContact O-CB 3.45Å; Q368-T371 WeakPolarHBondContact O-CG2 3.45Å; Q368-T371 PolarHBondContact O-N 3.07Å; Q368-T371 PolarHBondContact O-OG1 2.57Å; Q368-T404 HydrophobicContact CB-CG2 4.3Å; Q368-T404 PolarHBondContact OE1-OG1 3.36Å |
| 369 | E | 76.4 | Confident | 76.9 | Confident | 87 Ų | 87 | 52.8 Ų | 52.8 | 41% | 0.407 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 135.7 | 179.1 | -163.1 | 175.7 | -179.2 | 0 | 0 | 110.3 | T332 Y333 T371 | T332-E369 HydrophobicContact CG2-CB 3.89Å; T332-E369 HydrophobicContact CG2-CG 4.3Å; Y333-E369 PolarHBondContact O-N 3.48Å; E369-T371 VanDerWaalsContact C-N 3.31Å; E369-T371 PolarHBondContact O-N 3.19Å |
| 370 | N | 61.9 | Low | 76.1 | Confident | 155 Ų | 155 | 48.6 Ų | 48.6 | 83% | 0.829 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.8 | 30.9 | -178.1 | -53.5 | -52.4 | 0 | 0 | 0 | 114.9 | Q368 | Q368-N370 PolarHBondContact O-N 3.2Š|
| 371 | T | 51.7 | Low | 75.8 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 42% | 0.417 | 25% | 0.253 | S | S | . | . | trans | -85.5 | 133 | 173 | 47.5 | 0 | 0 | 0 | 0 | 113.2 | Q368 E369 | Q368-T371 HydrophobicContact CB-CG2 3.53Å; Q368-T371 HydrophobicContact CG-CG2 3.98Å; Q368-T371 WeakPolarHBondContact O-CB 3.45Å; Q368-T371 WeakPolarHBondContact O-CG2 3.45Å; Q368-T371 PolarHBondContact O-N 3.07Å; Q368-T371 PolarHBondContact O-OG1 2.57Å; E369-T371 VanDerWaalsContact C-N 3.31Å; E369-T371 PolarHBondContact O-N 3.19Å | ||
| 372 | K | 52.4 | Low | 75.7 | Confident | 179 Ų | 179 | 47 Ų | 47 | 78% | 0.778 | 25% | 0.245 | S | C | * | . | trans | -88.6 | 154 | 158 | -63.7 | -177.5 | 179.3 | -176.6 | 0 | 107.7 | V374 | K372-V374 PolarHBondContact O-N 2.94Š| ||
| 373 | P | 54.7 | Low | 75.6 | Confident | 53 Ų | 53 | 49.9 Ų | 49.9 | 34% | 0.344 | 26% | 0.263 | S | S | . | . | trans | -44.1 | 134.8 | 165 | 25.9 | -41.5 | 0 | 0 | 0 | 110 | P375 | P373-P375 WeakPolarHBondContact O-CD 3.1Š| ||
| 374 | V | 63.3 | Low | 75.6 | Confident | 41 Ų | 41 | 52.9 Ų | 52.9 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | trans | -91.2 | 112.2 | -176.6 | -177.1 | 0 | 0 | 0 | 0 | 106.6 | K372 L376 T404 R406 | K372-V374 PolarHBondContact O-N 2.94Å; V374-L376 PolarHBondContact O-N 2.81Å; V374-T404 WeakPolarHBondContact CG1-O 2.85Å; V374-T404 WeakPolarHBondContact CG2-O 3.09Å; V374-R406 HydrophobicContact CG1-CB 3.97Å; V374-R406 HydrophobicContact CG1-CG 3.54Å | ||
| 375 | P | 69.3 | Low | 75.6 | Confident | 63 Ų | 63 | 53.9 Ų | 53.9 | 41% | 0.409 | 29% | 0.294 | S | S | . | . | trans | -60.9 | 136.5 | -178.7 | 23.7 | -32.3 | 0 | 0 | 0 | 110.1 | L82 P373 R406 | L82-P375 CarbonylContact O-C 3.57Å; L82-P375 WeakPolarHBondContact O-CA 3.36Å; P373-P375 WeakPolarHBondContact O-CD 3.1Å; P375-R406 WeakPolarHBondContact O-CD 3.46Å; P375-R406 PolarHBondContact O-NE 3.19Å | ||
| 376 | L | 82.8 | Confident | 76 | Confident | 21 Ų | 21 | 52.3 Ų | 52.3 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | trans | -57.7 | 151 | 170.1 | -60.4 | 178.6 | 0 | 0 | 0 | 109.6 | L82 P84 V374 G378 N379 R406 N476 | L82-L376 WeakPolarHBondContact O-CB 3.33Å; L82-L376 VanDerWaalsContact O-CG 3.25Å; L82-L376 WeakPolarHBondContact O-CG 2.98Å; L82-L376 PolarHBondContact O-N 2.83Å; P84-L376 HydrophobicContact CG-CD2 4.01Å; P84-L376 HydrophobicContact CG-CG 4.18Å; V374-L376 PolarHBondContact O-N 2.81Å; L376-G378 PolarHBondContact O-N 3.14Å; L376-N379 HydrophobicContact CD1-CB 4.09Å; L376-R406 VanDerWaalsContact CD2-NH2 3.25Å; L376-N476 HydrophobicContact CD1-CB 4.04Å | ||
| 377 | S | 84.8 | Confident | 76.6 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.007 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -84.4 | 17.1 | 176.4 | -52.8 | 0 | 0 | 0 | 0 | 112 | Y382 V383 P387 R406 G475 | S377-Y382 WeakPolarHBondContact O-CA 3.36Å; S377-V383 PolarHBondContact O-N 3.13Å; S377-P387 VanDerWaalsContact CB-O 3.23Å; S377-P387 WeakPolarHBondContact CB-O 3.4Å; S377-P387 PolarHBondContact OG-O 2.88Å; S377-R406 VanDerWaalsContact N-NH1 3.11Å; S377-R406 PolarHBondContact OG-NH1 3.17Å; S377-R406 VanDerWaalsContact OG-NH1 3.16Å; S377-G475 PolarHBondContact N-O 2.86Å |
| 378 | G | 84.4 | Confident | 77.3 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | 134.2 | 156.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L376 G381 G475 N476 | L376-G378 PolarHBondContact O-N 3.14Å; G378-G381 CarbonylContact C-O 3.47Å; G378-G381 WeakPolarHBondContact CA-O 3.15Å; G378-G475 CarbonylContact O-C 3.54Å; G378-G475 VanDerWaalsContact O-C 3.27Å; G378-N476 VanDerWaalsContact O-CB 3.31Å; G378-N476 WeakPolarHBondContact O-CB 3.14Å; G378-N476 PolarHBondContact O-N 2.83Å | ||
| 379 | N | 82 | Confident | 78.1 | Confident | 35 Ų | 35 | 46.1 Ų | 46.1 | 19% | 0.187 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -150.2 | 104.7 | -177 | -170.7 | 16.4 | 0 | 0 | 0 | 111.7 | D81 L82 L376 N476 | D81-N379 WeakPolarHBondContact O-CB 3.49Å; D81-N379 PolarHBondContact O-ND2 2.85Å; D81-N379 PolarHBondContact OD2-ND2 2.86Å; L82-N379 HydrophobicContact CD2-CB 4.5Å; L376-N379 HydrophobicContact CD1-CB 4.09Å; N379-N476 HydrophobicContact CB-CB 4.44Å; N379-N476 PolarHBondContact OD1-ND2 2.83Å |
| 380 | P | 71.8 | Confident | 78.8 | Confident | 31 Ų | 31 | 42 Ų | 42 | 20% | 0.201 | 24% | 0.238 | C | C | . | . | S | Bend | cis | -69.7 | 173.1 | -19 | 3.8 | 9.9 | 0 | 0 | 0 | 113 | Q528 | P380-Q528 HydrophobicContact CB-CG 4.15Å; P380-Q528 HydrophobicContact CG-CG 4.22Å; P380-Q528 PolarHBondContact O-OE1 2.88Å |
| 381 | G | 85.6 | Confident | 79.9 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 71.7 | -178.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | G378 G475 N476 A529 | G378-G381 CarbonylContact C-O 3.47Å; G378-G381 WeakPolarHBondContact CA-O 3.15Å; G381-G475 WeakPolarHBondContact O-CA 3.39Å; G381-G475 PolarHBondContact O-N 2.86Å; G381-N476 PolarHBondContact N-OD1 2.88Å; G381-A529 WeakPolarHBondContact CA-O 3.46Å |
| 382 | Y | 90.6 | Very high | 81.4 | Confident | 13 Ų | 13 | 34.4 Ų | 34.4 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -91.8 | 135.7 | 179.3 | -79.3 | -78.6 | 0 | 0 | 0 | 112.4 | S377 L388 A389 F433 A472 A529 I531 | S377-Y382 WeakPolarHBondContact O-CA 3.36Å; Y382-L388 HydrophobicContact CD1-CD2 4.04Å; Y382-L388 HydrophobicContact CE1-CD2 3.76Å; Y382-L388 HydrophobicContact CE2-CD2 4.4Å; Y382-L388 HydrophobicContact CG-CD2 4.48Å; Y382-A389 PolarHBondContact OH-N 3.21Å; Y382-A389 VanDerWaalsContact OH-N 3.14Å; Y382-F433 HydrophobicContact CD1-CB 4.27Å; Y382-F433 HydrophobicContact CD1-CG 4.46Å; Y382-F433 HydrophobicContact CG-CB 4.42Å; Y382-F433 HydrophobicContact CG-CD2 4.16Å; Y382-F433 HydrophobicContact CG-CG 4.11Å; Y382-A472 WeakPolarHBondContact CE2-O 3.32Å; Y382-A472 PolarHBondContact OH-O 3.46Å; Y382-A529 PolarHBondContact N-O 2.67Å; Y382-I531 HydrophobicContact CD2-CD1 3.94Å; Y382-I531 HydrophobicContact CD2-CG1 4Å; Y382-I531 HydrophobicContact CE2-CD1 3.4Å; Y382-I531 HydrophobicContact CE2-CG1 3.77Å |
| 383 | V | 88.4 | Confident | 82.4 | Confident | 62 Ų | 62 | 30.4 Ų | 30.4 | 38% | 0.376 | 18% | 0.176 | S | C | . | . | P | Polyproline II helix | trans | -94.2 | 135.8 | 168.5 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | S377 G385 L386 | S377-V383 PolarHBondContact O-N 3.13Å; V383-G385 PolarHBondContact O-N 3.4Å; V383-L386 HydrophobicContact CB-CD1 3.86Å; V383-L386 HydrophobicContact CB-CG 4.18Å; V383-L386 HydrophobicContact CG1-CD1 4.36Å; V383-L386 HydrophobicContact CG1-CG 4.43Å; V383-L386 HydrophobicContact CG2-CD1 4.48Å; V383-L386 PolarHBondContact O-N 2.89Å |
| 384 | V | 89.1 | Confident | 82.8 | Confident | 89 Ų | 89 | 28.6 Ų | 28.6 | 54% | 0.539 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 130.8 | 179.2 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | F433 Y435 | V384-F433 WeakPolarHBondContact CA-O 3.48Å; V384-F433 HydrophobicContact CG2-CD1 4.1Å; V384-F433 HydrophobicContact CG2-CE1 4.11Å; V384-Y435 HydrophobicContact CG1-CD2 4.31Å; V384-Y435 HydrophobicContact CG1-CE2 3.73Å |
| 385 | G | 84.9 | Confident | 82.3 | Confident | 22 Ų | 22 | 35.9 Ų | 35.9 | 23% | 0.227 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.1 | -7.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | V383 F433 | V383-G385 PolarHBondContact O-N 3.4Å; G385-F433 PolarHBondContact N-O 3.3Å |
| 386 | L | 89.5 | Confident | 81.4 | Confident | 40 Ų | 40 | 42.1 Ų | 42.1 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -87.3 | 150.2 | 170.4 | -61.9 | -171.8 | 0 | 0 | 0 | 111 | L82 V383 F433 | L82-L386 HydrophobicContact CD1-CD1 4.3Å; V383-L386 HydrophobicContact CB-CD1 3.86Å; V383-L386 HydrophobicContact CB-CG 4.18Å; V383-L386 HydrophobicContact CG1-CD1 4.36Å; V383-L386 HydrophobicContact CG1-CG 4.43Å; V383-L386 HydrophobicContact CG2-CD1 4.48Å; V383-L386 PolarHBondContact O-N 2.89Å; L386-F433 PolarHBondContact O-N 2.96Å |
| 387 | P | 91.2 | Very high | 79.9 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.032 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -67.1 | 145.7 | -175.9 | 27.4 | -35.4 | 0 | 0 | 0 | 112.1 | S377 R406 Y407 V431 L432 | S377-P387 VanDerWaalsContact CB-O 3.23Å; S377-P387 WeakPolarHBondContact CB-O 3.4Å; S377-P387 PolarHBondContact OG-O 2.88Å; P387-R406 HydrophobicContact CG-CB 4.05Å; P387-Y407 HydrophobicContact CB-CD1 4.03Å; P387-Y407 HydrophobicContact CB-CE1 4.32Å; P387-Y407 HydrophobicContact CG-CD1 3.85Å; P387-Y407 HydrophobicContact CG-CD2 4.48Å; P387-Y407 HydrophobicContact CG-CE1 3.81Å; P387-Y407 HydrophobicContact CG-CE2 4.43Å; P387-Y407 HydrophobicContact CG-CG 4.21Å; P387-V431 WeakPolarHBondContact CA-O 3.3Å; P387-L432 HydrophobicContact CB-CD2 4.17Å |
| 388 | L | 93.4 | Very high | 78.6 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -64 | 136.3 | 169.2 | -69 | -168.1 | 0 | 0 | 0 | 110.8 | Y382 F410 V431 F433 V516 I531 F562 | Y382-L388 HydrophobicContact CD1-CD2 4.04Å; Y382-L388 HydrophobicContact CE1-CD2 3.76Å; Y382-L388 HydrophobicContact CE2-CD2 4.4Å; Y382-L388 HydrophobicContact CG-CD2 4.48Å; L388-F410 HydrophobicContact CB-CB 4.28Å; L388-F410 HydrophobicContact CB-CD1 3.9Å; L388-F410 HydrophobicContact CD1-CD1 3.74Å; L388-F410 HydrophobicContact CD1-CE1 3.9Å; L388-F410 HydrophobicContact CG-CD1 4.36Å; L388-V431 HydrophobicContact CD1-CG1 3.84Å; L388-V431 HydrophobicContact CG-CG1 4.15Å; L388-V431 PolarHBondContact N-O 2.87Å; L388-F433 HydrophobicContact CD2-CB 3.91Å; L388-F433 HydrophobicContact CD2-CD2 4.03Å; L388-F433 HydrophobicContact CD2-CG 4.43Å; L388-V516 HydrophobicContact CD1-CG1 4.27Å; L388-V516 HydrophobicContact CD1-CG2 4.1Å; L388-I531 HydrophobicContact CD1-CD1 4.14Å; L388-I531 HydrophobicContact CD2-CD1 3.5Å; L388-I531 HydrophobicContact CG-CD1 4.42Å; L388-F562 HydrophobicContact CD1-CE1 4Å; L388-F562 HydrophobicContact CD1-CZ 3.85Å; L388-F562 HydrophobicContact CD2-CE1 4.32Å; L388-F562 HydrophobicContact CD2-CZ 4.46Å; L388-F562 HydrophobicContact CG-CE1 4.49Å; L388-F562 HydrophobicContact CG-CZ 4.24Å |
| 389 | A | 92.1 | Very high | 78 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -89.6 | 127.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y382 V471 A472 | Y382-A389 PolarHBondContact OH-N 3.21Å; Y382-A389 VanDerWaalsContact OH-N 3.14Å; A389-V471 WeakPolarHBondContact O-CA 3.2Å; A389-V471 WeakPolarHBondContact O-CG1 3.42Å; A389-A472 HydrophobicContact CB-CB 3.89Å; A389-A472 PolarHBondContact O-N 3.01Å |
| 390 | A | 91.4 | Very high | 77.7 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.008 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 162.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111 | Q402 Q409 F410 P468 Y470 V471 | A390-Q402 PolarHBondContact O-NE2 3.31Å; A390-Q409 HydrophobicContact CB-CB 4.28Å; A390-Q409 WeakPolarHBondContact O-CB 3.27Å; A390-Q409 PolarHBondContact O-OE1 2.85Å; A390-F410 HydrophobicContact CB-CB 3.79Å; A390-F410 HydrophobicContact CB-CD2 4.42Å; A390-F410 HydrophobicContact CB-CG 4.28Å; A390-P468 HydrophobicContact CB-CB 3.73Å; A390-P468 HydrophobicContact CB-CG 3.62Å; A390-Y470 CarbonylContact C-O 3.56Å; A390-Y470 VanDerWaalsContact CA-O 3.22Å; A390-Y470 WeakPolarHBondContact CA-O 3.49Å; A390-Y470 VanDerWaalsContact CB-O 3.31Å; A390-Y470 WeakPolarHBondContact CB-O 3.31Å; A390-V471 HydrophobicContact CB-CG2 4.21Å |
| 391 | G | 85.3 | Confident | 77.7 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | -176.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I401 P468 D469 Y470 | G391-I401 CarbonylContact C-O 3.59Å; G391-I401 WeakPolarHBondContact CA-O 3.45Å; G391-P468 VanDerWaalsContact O-CB 3.29Å; G391-P468 WeakPolarHBondContact O-CB 3.39Å; G391-D469 PolarHBondContact O-N 3.39Å; G391-Y470 PolarHBondContact N-O 2.91Å; G391-Y470 PolarHBondContact O-N 2.85Å |
| 392 | F | 82.3 | Confident | 77.1 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 28% | 0.281 | 29% | 0.286 | S | S | . | . | B | Isolated β-bridge | trans | -110.7 | 148.3 | -174.9 | -50.3 | -92.4 | 0 | 0 | 0 | 110.2 | I401 G466 F467 D469 | F392-I401 HydrophobicContact CB-CB 4.32Å; F392-I401 PolarHBondContact N-O 2.76Å; F392-I401 PolarHBondContact O-N 3.27Å; F392-G466 VanDerWaalsContact CZ-O 3.31Å; F392-G466 WeakPolarHBondContact CZ-O 3.16Å; F392-F467 WeakPolarHBondContact CE1-O 3.49Å; F392-D469 WeakPolarHBondContact CA-OD2 3.35Å |
| 393 | Q | 73.2 | Confident | 76.1 | Confident | 94 Ų | 94 | 52.9 Ų | 52.9 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | trans | -81.5 | 131.2 | 172 | -175.7 | 173.2 | 12.2 | 0 | 0 | 110.2 | D469 Y470 | Q393-D469 PolarHBondContact N-OD2 2.85Å; Q393-Y470 HydrophobicContact CB-CD2 4.07Å; Q393-Y470 HydrophobicContact CB-CE2 3.57Å; Q393-Y470 HydrophobicContact CG-CE2 4.25Å; Q393-Y470 PolarHBondContact OE1-OH 3.46Å | ||
| 394 | P | 62.8 | Low | 75 | Confident | 15 Ų | 15 | 52 Ų | 52 | 10% | 0.097 | 29% | 0.292 | C | S | . | . | trans | -70.3 | 139.7 | 176.2 | 28.7 | -35.4 | 0 | 0 | 0 | 110.5 | Y209 K396 G399 I401 | Y209-P394 HydrophobicContact CD1-CB 4.23Å; Y209-P394 HydrophobicContact CE1-CB 3.67Å; P394-K396 PolarHBondContact O-N 2.91Å; P394-G399 WeakPolarHBondContact CD-O 3.41Å; P394-G399 WeakPolarHBondContact CG-O 3.24Å; P394-I401 HydrophobicContact CB-CD1 3.97Å; P394-I401 HydrophobicContact CB-CG1 4.29Å | ||
| 395 | H | 54.4 | Low | 74.2 | Confident | 195 Ų | 195 | 50.8 Ų | 50.8 | 90% | 0.903 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -65.3 | -21.8 | 173.5 | -64.2 | -62.1 | 0 | 0 | 0 | 113.1 | ||
| 396 | K | 49 | Very low | 73.9 | Confident | 194 Ų | 194 | 51 Ų | 51 | 84% | 0.843 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -149.9 | 124.2 | 171.3 | -67.8 | -173.3 | 179.2 | 179 | 0 | 109.4 | P394 | P394-K396 PolarHBondContact O-N 2.91Š|
| 397 | G | 51.2 | Low | 73.4 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 67% | 0.67 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 128.5 | 169.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 398 | S | 57.8 | Low | 72.8 | Confident | 110 Ų | 110 | 62.1 Ų | 62.1 | 77% | 0.769 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -110.5 | 99 | 179.3 | 50.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 399 | G | 72.1 | Confident | 72.4 | Confident | 7 Ų | 7 | 62.7 Ų | 62.7 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | S | Bend | trans | 156.9 | 152.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | P394 A479 V482 | P394-G399 WeakPolarHBondContact CD-O 3.41Å; P394-G399 WeakPolarHBondContact CG-O 3.24Å; G399-A479 CarbonylContact C-O 3.42Å; G399-A479 WeakPolarHBondContact CA-O 3.39Å; G399-V482 VanDerWaalsContact N-CG2 3.26Å |
| 400 | I | 75.9 | Confident | 72.3 | Confident | 8 Ų | 8 | 62.7 Ų | 62.7 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | trans | -83.9 | 130.8 | 173.4 | -64.6 | -64.5 | 0 | 0 | 0 | 110.3 | Q402 Y470 A479 V482 W485 | I400-Q402 HydrophobicContact CG2-CG 3.98Å; I400-Y470 HydrophobicContact CD1-CD1 4.46Å; I400-Y470 HydrophobicContact CD1-CD2 3.85Å; I400-Y470 HydrophobicContact CD1-CG 3.85Å; I400-A479 PolarHBondContact N-O 2.79Å; I400-A479 WeakPolarHBondContact O-CB 2.83Å; I400-V482 HydrophobicContact CD1-CG1 3.95Å; I400-V482 HydrophobicContact CG1-CG1 4.37Å; I400-V482 HydrophobicContact CG1-CG2 4.3Å; I400-W485 HydrophobicContact CB-CD2 4.16Å; I400-W485 HydrophobicContact CB-CE3 4.27Å; I400-W485 HydrophobicContact CB-CH2 4.34Å; I400-W485 HydrophobicContact CB-CZ2 4.2Å; I400-W485 HydrophobicContact CB-CZ3 4.36Å; I400-W485 HydrophobicContact CD1-CB 4.45Å; I400-W485 HydrophobicContact CD1-CD2 4.42Å; I400-W485 HydrophobicContact CD1-CG 4.4Å; I400-W485 HydrophobicContact CG1-CB 4.27Å; I400-W485 HydrophobicContact CG1-CD2 3.55Å; I400-W485 HydrophobicContact CG1-CE3 3.89Å; I400-W485 HydrophobicContact CG1-CG 3.71Å; I400-W485 HydrophobicContact CG1-CZ2 4.43Å; I400-W485 HydrophobicContact CG1-CZ3 4.48Å; I400-W485 HydrophobicContact CG2-CD2 4.25Å; I400-W485 HydrophobicContact CG2-CE3 3.84Å; I400-W485 HydrophobicContact CG2-CH2 3.88Å; I400-W485 HydrophobicContact CG2-CZ2 4.25Å; I400-W485 HydrophobicContact CG2-CZ3 3.65Å | ||
| 401 | I | 71 | Confident | 72.2 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 18% | 0.179 | 32% | 0.324 | C | S | . | . | B | Isolated β-bridge | trans | -83.7 | 120.3 | 177.9 | -51.7 | 166.4 | 0 | 0 | 0 | 108.6 | Y209 G391 F392 P394 | Y209-I401 HydrophobicContact CD1-CD1 3.22Å; Y209-I401 HydrophobicContact CD1-CG1 3.58Å; Y209-I401 HydrophobicContact CD2-CB 4.34Å; Y209-I401 HydrophobicContact CD2-CD1 4.11Å; Y209-I401 HydrophobicContact CD2-CG1 3.74Å; Y209-I401 HydrophobicContact CD2-CG2 3.8Å; Y209-I401 HydrophobicContact CE1-CD1 3.75Å; Y209-I401 HydrophobicContact CE1-CG1 3.7Å; Y209-I401 HydrophobicContact CE2-CG1 3.85Å; Y209-I401 HydrophobicContact CE2-CG2 4.45Å; Y209-I401 HydrophobicContact CG-CB 4.45Å; Y209-I401 HydrophobicContact CG-CD1 3.44Å; Y209-I401 VanDerWaalsContact CG-CD1 3.44Å; Y209-I401 HydrophobicContact CG-CG1 3.62Å; Y209-I401 HydrophobicContact CG-CG2 3.99Å; G391-I401 CarbonylContact C-O 3.59Å; G391-I401 WeakPolarHBondContact CA-O 3.45Å; F392-I401 HydrophobicContact CB-CB 4.32Å; F392-I401 PolarHBondContact N-O 2.76Å; F392-I401 PolarHBondContact O-N 3.27Å; P394-I401 HydrophobicContact CB-CD1 3.97Å; P394-I401 HydrophobicContact CB-CG1 4.29Å |
| 402 | Q | 73 | Confident | 72.5 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 25% | 0.248 | 32% | 0.324 | C | S | . | . | trans | -122.7 | 145.4 | 177.8 | -56.2 | -171.7 | -86.5 | 0 | 0 | 111.1 | A390 I400 W485 | A390-Q402 PolarHBondContact O-NE2 3.31Å; I400-Q402 HydrophobicContact CG2-CG 3.98Å; Q402-W485 VanDerWaalsContact CD-CH2 3.46Å; Q402-W485 HydrophobicContact CG-CH2 4.15Å; Q402-W485 VanDerWaalsContact NE2-CH2 3.33Å | ||
| 403 | T | 70.1 | Confident | 72.7 | Confident | 50 Ų | 50 | 61 Ų | 61 | 31% | 0.307 | 31% | 0.313 | S | S | . | . | trans | -70.6 | 142.2 | 162.3 | 173.1 | 0 | 0 | 0 | 0 | 109.3 | N405 R408 Q409 | T403-N405 WeakPolarHBondContact CG2-O 3.42Å; T403-N405 PolarHBondContact O-N 3.33Å; T403-N405 PolarHBondContact OG1-N 3.27Å; T403-R408 HydrophobicContact CG2-CB 4.22Å; T403-Q409 HydrophobicContact CG2-CB 4.21Å; T403-Q409 HydrophobicContact CG2-CG 3.37Å; T403-Q409 PolarHBondContact O-NE2 3.47Å | ||
| 404 | T | 66.4 | Low | 73.2 | Confident | 42 Ų | 42 | 60 Ų | 60 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -62.5 | -29.9 | 175 | 63.6 | 0 | 0 | 0 | 0 | 111 | Q368 V374 R406 | Q368-T404 HydrophobicContact CB-CG2 4.3Å; Q368-T404 PolarHBondContact OE1-OG1 3.36Å; V374-T404 WeakPolarHBondContact CG1-O 2.85Å; V374-T404 WeakPolarHBondContact CG2-O 3.09Å; T404-R406 PolarHBondContact O-N 2.84Å |
| 405 | N | 71.6 | Confident | 74.2 | Confident | 65 Ų | 65 | 61.4 Ų | 61.4 | 35% | 0.348 | 32% | 0.319 | S | S | . | . | trans | -78.8 | 96.8 | 175.5 | -173 | -17.7 | 0 | 0 | 0 | 110.8 | T403 Y407 R408 Q409 | T403-N405 WeakPolarHBondContact CG2-O 3.42Å; T403-N405 PolarHBondContact O-N 3.33Å; T403-N405 PolarHBondContact OG1-N 3.27Å; N405-Y407 PolarHBondContact O-N 3.13Å; N405-Y407 WeakPolarHBondContact OD1-CB 3.03Å; N405-Y407 PolarHBondContact OD1-N 3.2Å; N405-Y407 VanDerWaalsContact OD1-N 3.12Å; N405-R408 HydrophobicContact CB-CB 4.26Å; N405-R408 HydrophobicContact CB-CG 4.32Å; N405-R408 WeakPolarHBondContact O-CA 3.48Å; N405-R408 PolarHBondContact O-N 3.01Å; N405-Q409 PolarHBondContact O-N 3.04Å | ||
| 406 | R | 78.6 | Confident | 75.3 | Confident | 27 Ų | 27 | 53 Ų | 53 | 10% | 0.102 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -54.3 | -34.3 | 178.5 | -88.3 | -178.9 | -166 | -121.5 | -1.3 | 114.5 | V374 P375 L376 S377 P387 T404 R408 Q409 G475 | V374-R406 HydrophobicContact CG1-CB 3.97Å; V374-R406 HydrophobicContact CG1-CG 3.54Å; P375-R406 WeakPolarHBondContact O-CD 3.46Å; P375-R406 PolarHBondContact O-NE 3.19Å; L376-R406 VanDerWaalsContact CD2-NH2 3.25Å; S377-R406 VanDerWaalsContact N-NH1 3.11Å; S377-R406 PolarHBondContact OG-NH1 3.17Å; S377-R406 VanDerWaalsContact OG-NH1 3.16Å; P387-R406 HydrophobicContact CG-CB 4.05Å; T404-R406 PolarHBondContact O-N 2.84Å; R406-R408 PolarHBondContact O-N 3.16Å; R406-R408 VanDerWaalsContact O-N 3.13Å; R406-Q409 PolarHBondContact O-N 3.12Å; R406-G475 PolarHBondContact NH1-O 3.36Å |
| 407 | Y | 79.8 | Confident | 76.7 | Confident | 110 Ų | 110 | 48.4 Ų | 48.4 | 43% | 0.431 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -69.7 | -7.3 | 176.1 | -65 | -84.4 | 0 | 0 | 0 | 113.5 | P387 N405 T411 P430 L432 | P387-Y407 HydrophobicContact CB-CD1 4.03Å; P387-Y407 HydrophobicContact CB-CE1 4.32Å; P387-Y407 HydrophobicContact CG-CD1 3.85Å; P387-Y407 HydrophobicContact CG-CD2 4.48Å; P387-Y407 HydrophobicContact CG-CE1 3.81Å; P387-Y407 HydrophobicContact CG-CE2 4.43Å; P387-Y407 HydrophobicContact CG-CG 4.21Å; N405-Y407 PolarHBondContact O-N 3.13Å; N405-Y407 WeakPolarHBondContact OD1-CB 3.03Å; N405-Y407 PolarHBondContact OD1-N 3.2Å; N405-Y407 VanDerWaalsContact OD1-N 3.12Å; Y407-T411 WeakPolarHBondContact O-CG2 3.47Å; Y407-P430 HydrophobicContact CD1-CB 3.96Å; Y407-P430 HydrophobicContact CD1-CG 3.91Å; Y407-P430 WeakPolarHBondContact O-CB 3.48Å; Y407-L432 HydrophobicContact CE1-CD2 4.45Å |
| 408 | R | 78.6 | Confident | 78 | Confident | 168 Ų | 168 | 52 Ų | 52 | 63% | 0.634 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -111.3 | 0.7 | 176 | -65.9 | -170.9 | 175 | -155.9 | -0.3 | 113.7 | T403 N405 R406 | T403-R408 HydrophobicContact CG2-CB 4.22Å; N405-R408 HydrophobicContact CB-CB 4.26Å; N405-R408 HydrophobicContact CB-CG 4.32Å; N405-R408 WeakPolarHBondContact O-CA 3.48Å; N405-R408 PolarHBondContact O-N 3.01Å; R406-R408 PolarHBondContact O-N 3.16Å; R406-R408 VanDerWaalsContact O-N 3.13Å |
| 409 | Q | 84 | Confident | 79 | Confident | 12 Ų | 12 | 50.7 Ų | 50.7 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -45 | -179.1 | -71.5 | -179.8 | 7.5 | 0 | 0 | 112.2 | A390 T403 N405 R406 P468 | A390-Q409 HydrophobicContact CB-CB 4.28Å; A390-Q409 WeakPolarHBondContact O-CB 3.27Å; A390-Q409 PolarHBondContact O-OE1 2.85Å; T403-Q409 HydrophobicContact CG2-CB 4.21Å; T403-Q409 HydrophobicContact CG2-CG 3.37Å; T403-Q409 PolarHBondContact O-NE2 3.47Å; N405-Q409 PolarHBondContact O-N 3.04Å; R406-Q409 PolarHBondContact O-N 3.12Å; Q409-P468 WeakPolarHBondContact O-CG 3.42Å |
| 410 | F | 90.5 | Very high | 79.3 | Confident | 2 Ų | 2 | 53.3 Ų | 53.3 | 1% | 0.009 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -131.1 | 112.9 | 177.8 | -162.4 | -139.3 | 0 | 0 | 0 | 110.6 | L388 A390 V431 F467 P468 I488 I514 V534 | L388-F410 HydrophobicContact CB-CB 4.28Å; L388-F410 HydrophobicContact CB-CD1 3.9Å; L388-F410 HydrophobicContact CD1-CD1 3.74Å; L388-F410 HydrophobicContact CD1-CE1 3.9Å; L388-F410 HydrophobicContact CG-CD1 4.36Å; A390-F410 HydrophobicContact CB-CB 3.79Å; A390-F410 HydrophobicContact CB-CD2 4.42Å; A390-F410 HydrophobicContact CB-CG 4.28Å; F410-V431 HydrophobicContact CD1-CB 3.65Å; F410-V431 HydrophobicContact CD1-CG1 3.96Å; F410-V431 HydrophobicContact CD1-CG2 3.77Å; F410-V431 HydrophobicContact CE1-CB 4.24Å; F410-V431 HydrophobicContact CE1-CG1 4.16Å; F410-V431 HydrophobicContact CE1-CG2 4.12Å; F410-V431 HydrophobicContact CG-CB 4.38Å; F410-V431 HydrophobicContact CG-CG2 4.28Å; F410-V431 PolarHBondContact O-N 2.84Å; F410-F467 HydrophobicContact CD2-CE2 4.39Å; F410-F467 HydrophobicContact CD2-CZ 4.31Å; F410-F467 AromaticContact CE2-CE1 3.93Å; F410-F467 HydrophobicContact CE2-CE1 3.93Å; F410-F467 AromaticContact CE2-CE2 3.84Å; F410-F467 HydrophobicContact CE2-CE2 3.84Å; F410-F467 AromaticContact CE2-CZ 3.39Å; F410-F467 HydrophobicContact CE2-CZ 3.39Å; F410-F467 HydrophobicContact CZ-CZ 4.1Å; F410-P468 HydrophobicContact CD2-CG 3.42Å; F410-P468 VanDerWaalsContact CD2-CG 3.42Å; F410-P468 HydrophobicContact CE2-CG 3.95Å; F410-P468 HydrophobicContact CG-CG 4.39Å; F410-I488 HydrophobicContact CD2-CD1 4.45Å; F410-I488 HydrophobicContact CE2-CD1 3.7Å; F410-I488 HydrophobicContact CZ-CD1 4.14Å; F410-I514 HydrophobicContact CE1-CG2 4.3Å; F410-I514 HydrophobicContact CZ-CD1 4.14Å; F410-I514 HydrophobicContact CZ-CG2 3.9Å; F410-V534 HydrophobicContact CZ-CG1 4.3Å |
| 411 | T | 89.1 | Confident | 79.5 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147.2 | -168.5 | 65.9 | 0 | 0 | 0 | 0 | 113.5 | Y407 R428 T429 | Y407-T411 WeakPolarHBondContact O-CG2 3.47Å; T411-R428 HydrophobicContact CG2-CB 4.2Å; T411-R428 PolarHBondContact O-NH2 3.31Å; T411-R428 VanDerWaalsContact OG1-CD 3.28Å; T411-R428 WeakPolarHBondContact OG1-CD 3.41Å; T411-R428 PolarHBondContact OG1-NE 3.17Å; T411-T429 CarbonylContact C-O 3.58Å; T411-T429 WeakPolarHBondContact CA-O 3.49Å; T411-T429 WeakPolarHBondContact CB-O 3.38Å |
| 412 | I | 90.8 | Very high | 79.6 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 174.7 | 173.6 | 62.1 | 172.2 | 0 | 0 | 0 | 111 | H414 R428 T429 V431 M437 I514 T558 V560 | I412-H414 PolarHBondContact O-N 2.96Å; I412-R428 WeakPolarHBondContact O-CB 3.48Å; I412-T429 PolarHBondContact N-O 3.21Å; I412-T429 PolarHBondContact O-N 2.96Å; I412-V431 HydrophobicContact CG2-CG2 3.8Å; I412-M437 HydrophobicContact CD1-CB 4.11Å; I412-I514 HydrophobicContact CG2-CD1 3.88Å; I412-T558 HydrophobicContact CB-CG2 4.5Å; I412-V560 HydrophobicContact CD1-CG2 4.08Å; I412-V560 HydrophobicContact CG2-CG2 3.6Å |
| 413 | L | 87 | Confident | 79.2 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 137.5 | 176.9 | -178.6 | 75.5 | 0 | 0 | 0 | 110.7 | T429 S439 C441 I556 T558 | L413-T429 PolarHBondContact O-OG1 2.86Å; L413-S439 WeakPolarHBondContact O-CB 3.41Å; L413-S439 PolarHBondContact O-OG 2.91Å; L413-C441 HydrophobicContact CD2-CB 4.21Å; L413-C441 WeakPolarHBondContact CD2-SG 3.08Å; L413-I556 HydrophobicContact CD2-CG2 4.37Å; L413-T558 HydrophobicContact CB-CG2 3.56Å; L413-T558 WeakPolarHBondContact CB-OG1 3.37Å; L413-T558 PolarHBondContact N-OG1 2.88Å |
| 414 | H | 83.8 | Confident | 78.8 | Confident | 71 Ų | 71 | 56.7 Ų | 56.7 | 33% | 0.329 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -93.3 | 134.4 | 171.5 | -174.9 | -86.7 | 0 | 0 | 0 | 110.2 | I412 V427 T429 | I412-H414 PolarHBondContact O-N 2.96Å; H414-V427 HydrophobicContact CB-CG1 4.4Å; H414-V427 WeakPolarHBondContact CB-O 3.16Å; H414-T429 WeakPolarHBondContact CA-OG1 3.49Å; H414-T429 PolarHBondContact CD2-OG1 2.79Å; H414-T429 VanDerWaalsContact CD2-OG1 3.32Å |
| 415 | S | 83.8 | Confident | 78.4 | Confident | 46 Ų | 46 | 61.7 Ų | 61.7 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 139 | 176.5 | -166.1 | 0 | 0 | 0 | 0 | 109.9 | S439 G440 | S415-S439 PolarHBondContact N-OG 2.93Å; S415-G440 VanDerWaalsContact CB-O 3.3Å; S415-G440 WeakPolarHBondContact CB-O 3.26Å; S415-G440 PolarHBondContact OG-O 2.99Å |
| 416 | T | 77.1 | Confident | 77.9 | Confident | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.117 | 34% | 0.337 | C | S | . | . | trans | -107.8 | 168.5 | 173.9 | 77.3 | 0 | 0 | 0 | 0 | 110.6 | E418 Q419 L424 | T416-E418 WeakPolarHBondContact CB-OE2 3.38Å; T416-E418 PolarHBondContact O-N 3.29Å; T416-E418 PolarHBondContact OG1-N 2.85Å; T416-E418 PolarHBondContact OG1-OE2 2.83Å; T416-Q419 WeakPolarHBondContact O-CA 3.29Å; T416-Q419 PolarHBondContact O-N 2.91Å; T416-Q419 PolarHBondContact OG1-N 2.96Å; T416-L424 HydrophobicContact CG2-CD1 3.85Å; T416-L424 HydrophobicContact CG2-CG 4.34Å | ||
| 417 | A | 79.3 | Confident | 77.5 | Confident | 96 Ų | 96 | 64.1 Ų | 64.1 | 79% | 0.793 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -34.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q419 | A417-Q419 PolarHBondContact O-N 3.09Š|
| 418 | E | 77.1 | Confident | 77.5 | Confident | 140 Ų | 140 | 61.2 Ų | 61.2 | 65% | 0.654 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -12.1 | 177.6 | -53.1 | 70.3 | -149 | 0 | 0 | 112.2 | T416 D420 | T416-E418 WeakPolarHBondContact CB-OE2 3.38Å; T416-E418 PolarHBondContact O-N 3.29Å; T416-E418 PolarHBondContact OG1-N 2.85Å; T416-E418 PolarHBondContact OG1-OE2 2.83Å; E418-D420 PolarHBondContact O-N 3.3Å |
| 419 | Q | 79.7 | Confident | 77.9 | Confident | 83 Ų | 83 | 54.6 Ų | 54.6 | 39% | 0.388 | 32% | 0.319 | S | S | . | . | trans | 55.5 | 29.2 | -177.3 | -56.4 | -177.6 | -32.1 | 0 | 0 | 113.2 | T416 A417 C441 K442 | T416-Q419 WeakPolarHBondContact O-CA 3.29Å; T416-Q419 PolarHBondContact O-N 2.91Å; T416-Q419 PolarHBondContact OG1-N 2.96Å; A417-Q419 PolarHBondContact O-N 3.09Å; Q419-C441 CarbonylContact O-C 3.54Å; Q419-K442 HydrophobicContact CB-CD 4.29Å; Q419-K442 WeakPolarHBondContact O-CA 3.46Å; Q419-K442 WeakPolarHBondContact O-CB 3.43Å; Q419-K442 PolarHBondContact O-N 2.83Å | ||
| 420 | D | 79 | Confident | 78.2 | Confident | 62 Ų | 62 | 55.4 Ų | 55.4 | 33% | 0.332 | 33% | 0.326 | S | S | . | . | B | Isolated β-bridge | trans | -92.4 | 126.2 | 177.7 | -173.9 | -12.4 | 0 | 0 | 0 | 110.4 | E418 L422 A423 | E418-D420 PolarHBondContact O-N 3.3Å; D420-L422 PolarHBondContact O-N 3.04Å; D420-L422 PolarHBondContact OD1-N 2.85Å; D420-A423 HydrophobicContact CB-CB 3.95Å; D420-A423 PolarHBondContact O-N 2.87Å |
| 421 | C | 78.8 | Confident | 78.3 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 8% | 0.081 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -19.8 | 178.8 | -59.9 | 0 | 0 | 0 | 0 | 114.1 | C441 K442 L443 L461 | C421-C441 WeakPolarHBondContact CA-SG 3.35Å; C421-C441 HydrophobicContact CB-CB 3.94Å; C421-C441 WeakPolarHBondContact CB-SG 3.44Å; C421-C441 WeakPolarHBondContact SG-CB 3.33Å; C421-C441 CovalentContact SG-SG 2.02Å; C421-C441 PolarHBondContact SG-SG 2.95Å; C421-K442 PolarHBondContact N-O 3.35Å; C421-K442 VanDerWaalsContact N-O 3.16Å; C421-K442 PolarHBondContact SG-N 2.88Å; C421-K442 PolarHBondContact SG-O 3.18Å; C421-L443 HydrophobicContact CB-CB 4.35Å; C421-L443 HydrophobicContact CB-CD1 4.34Å; C421-L461 HydrophobicContact CB-CD1 4.13Å |
| 422 | L | 74.3 | Confident | 78.5 | Confident | 56 Ų | 56 | 56.3 Ų | 56.3 | 29% | 0.293 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -2.6 | -175.2 | -55 | -179.2 | 0 | 0 | 0 | 113.4 | D420 L424 L443 L461 | D420-L422 PolarHBondContact O-N 3.04Å; D420-L422 PolarHBondContact OD1-N 2.85Å; L422-L424 VanDerWaalsContact C-N 3.3Å; L422-L424 PolarHBondContact O-N 3.05Å; L422-L443 HydrophobicContact CD1-CD1 3.88Å; L422-L443 HydrophobicContact CD2-CD1 4.19Å; L422-L443 HydrophobicContact CG-CD1 3.91Å; L422-L461 HydrophobicContact CD2-CD2 4.3Å |
| 423 | A | 63.2 | Low | 78.7 | Confident | 51 Ų | 51 | 56.4 Ų | 56.4 | 42% | 0.421 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -31.5 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | D420 | D420-A423 HydrophobicContact CB-CB 3.95Å; D420-A423 PolarHBondContact O-N 2.87Å |
| 424 | L | 63.4 | Low | 78.8 | Confident | 98 Ų | 98 | 57.6 Ų | 57.6 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -137.5 | 70.6 | 179.3 | -70.1 | 174.1 | 0 | 0 | 0 | 110.5 | T416 L422 G426 V427 | T416-L424 HydrophobicContact CG2-CD1 3.85Å; T416-L424 HydrophobicContact CG2-CG 4.34Å; L422-L424 VanDerWaalsContact C-N 3.3Å; L422-L424 PolarHBondContact O-N 3.05Å; L424-G426 PolarHBondContact O-N 3.36Å; L424-V427 HydrophobicContact CB-CB 4.28Å; L424-V427 HydrophobicContact CB-CG2 4.12Å; L424-V427 PolarHBondContact O-N 2.9Å |
| 425 | E | 56.6 | Low | 79.2 | Confident | 147 Ų | 147 | 60.2 Ų | 60.2 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 128.3 | 178 | -72 | -166.8 | 165.1 | 0 | 0 | 111.7 | ||
| 426 | G | 60.8 | Low | 79.5 | Confident | 71 Ų | 71 | 62.8 Ų | 62.8 | 73% | 0.732 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -9.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | L424 | L424-G426 PolarHBondContact O-N 3.36Š|
| 427 | V | 70.8 | Confident | 80.2 | Confident | 72 Ų | 72 | 63.9 Ų | 63.9 | 44% | 0.436 | 37% | 0.371 | S | S | . | . | trans | -83.2 | 129 | 172.3 | -176.5 | 0 | 0 | 0 | 0 | 109.3 | H414 L424 | H414-V427 HydrophobicContact CB-CG1 4.4Å; H414-V427 WeakPolarHBondContact CB-O 3.16Å; L424-V427 HydrophobicContact CB-CB 4.28Å; L424-V427 HydrophobicContact CB-CG2 4.12Å; L424-V427 PolarHBondContact O-N 2.9Å | ||
| 428 | R | 80.9 | Confident | 80.8 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 19% | 0.185 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 154.7 | -177.5 | -62 | -169.6 | 65.9 | 86.9 | -6.5 | 110.8 | T411 I412 L461 L462 G464 | T411-R428 HydrophobicContact CG2-CB 4.2Å; T411-R428 PolarHBondContact O-NH2 3.31Å; T411-R428 VanDerWaalsContact OG1-CD 3.28Å; T411-R428 WeakPolarHBondContact OG1-CD 3.41Å; T411-R428 PolarHBondContact OG1-NE 3.17Å; I412-R428 WeakPolarHBondContact O-CB 3.48Å; R428-L461 PolarHBondContact NH1-O 2.92Å; R428-L462 PolarHBondContact NH2-O 2.84Å; R428-G464 VanDerWaalsContact NH1-CA 3.31Å |
| 429 | T | 85.9 | Confident | 81.4 | Confident | 29 Ų | 29 | 61.2 Ų | 61.2 | 18% | 0.178 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 127.9 | -178.7 | -51.9 | 0 | 0 | 0 | 0 | 109.8 | T411 I412 L413 H414 M437 | T411-T429 CarbonylContact C-O 3.58Å; T411-T429 WeakPolarHBondContact CA-O 3.49Å; T411-T429 WeakPolarHBondContact CB-O 3.38Å; I412-T429 PolarHBondContact N-O 3.21Å; I412-T429 PolarHBondContact O-N 2.96Å; L413-T429 PolarHBondContact O-OG1 2.86Å; H414-T429 WeakPolarHBondContact CA-OG1 3.49Å; H414-T429 PolarHBondContact CD2-OG1 2.79Å; H414-T429 VanDerWaalsContact CD2-OG1 3.32Å; T429-M437 HydrophobicContact CG2-CE 3.66Å |
| 430 | P | 90.1 | Very high | 81.9 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 20% | 0.195 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 141.7 | 174.5 | 26.3 | -33.7 | 0 | 0 | 0 | 111.5 | Y407 L432 | Y407-P430 HydrophobicContact CD1-CB 3.96Å; Y407-P430 HydrophobicContact CD1-CG 3.91Å; Y407-P430 WeakPolarHBondContact O-CB 3.48Å; P430-L432 HydrophobicContact CB-CD2 4.08Å; P430-L432 HydrophobicContact CG-CD2 4.13Å |
| 431 | V | 93.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 117 | 169.1 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | P387 L388 F410 I412 V560 F562 | P387-V431 WeakPolarHBondContact CA-O 3.3Å; L388-V431 HydrophobicContact CD1-CG1 3.84Å; L388-V431 HydrophobicContact CG-CG1 4.15Å; L388-V431 PolarHBondContact N-O 2.87Å; F410-V431 HydrophobicContact CD1-CB 3.65Å; F410-V431 HydrophobicContact CD1-CG1 3.96Å; F410-V431 HydrophobicContact CD1-CG2 3.77Å; F410-V431 HydrophobicContact CE1-CB 4.24Å; F410-V431 HydrophobicContact CE1-CG1 4.16Å; F410-V431 HydrophobicContact CE1-CG2 4.12Å; F410-V431 HydrophobicContact CG-CB 4.38Å; F410-V431 HydrophobicContact CG-CG2 4.28Å; F410-V431 PolarHBondContact O-N 2.84Å; I412-V431 HydrophobicContact CG2-CG2 3.8Å; V431-V560 HydrophobicContact CG1-CG1 3.82Å; V431-V560 HydrophobicContact CG1-CG2 4.38Å; V431-V560 HydrophobicContact CG2-CG2 4.03Å; V431-F562 HydrophobicContact CG1-CE2 4.22Å; V431-F562 HydrophobicContact CG1-CZ 3.99Å |
| 432 | L | 92.2 | Very high | 82.7 | Confident | 38 Ų | 38 | 59 Ų | 59 | 20% | 0.199 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -99.4 | 132.6 | -178 | -53.4 | -178.1 | 0 | 0 | 0 | 110.6 | P387 Y407 P430 G434 Y435 F562 | P387-L432 HydrophobicContact CB-CD2 4.17Å; Y407-L432 HydrophobicContact CE1-CD2 4.45Å; P430-L432 HydrophobicContact CB-CD2 4.08Å; P430-L432 HydrophobicContact CG-CD2 4.13Å; L432-G434 PolarHBondContact O-N 2.81Å; L432-Y435 HydrophobicContact CB-CD2 4.06Å; L432-Y435 PolarHBondContact O-N 2.84Å; L432-F562 VanDerWaalsContact O-CE2 3.24Å; L432-F562 WeakPolarHBondContact O-CE2 2.89Å; L432-F562 WeakPolarHBondContact O-CZ 3.35Å |
| 433 | F | 95 | Very high | 83.2 | Confident | 4 Ų | 4 | 56.5 Ų | 56.5 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 133.2 | -179.7 | -179.4 | -107.2 | 0 | 0 | 0 | 111.4 | Y382 V384 G385 L386 L388 Y435 W518 A529 F562 | Y382-F433 HydrophobicContact CD1-CB 4.27Å; Y382-F433 HydrophobicContact CD1-CG 4.46Å; Y382-F433 HydrophobicContact CG-CB 4.42Å; Y382-F433 HydrophobicContact CG-CD2 4.16Å; Y382-F433 HydrophobicContact CG-CG 4.11Å; V384-F433 WeakPolarHBondContact CA-O 3.48Å; V384-F433 HydrophobicContact CG2-CD1 4.1Å; V384-F433 HydrophobicContact CG2-CE1 4.11Å; G385-F433 PolarHBondContact N-O 3.3Å; L386-F433 PolarHBondContact O-N 2.96Å; L388-F433 HydrophobicContact CD2-CB 3.91Å; L388-F433 HydrophobicContact CD2-CD2 4.03Å; L388-F433 HydrophobicContact CD2-CG 4.43Å; F433-Y435 VanDerWaalsContact C-N 3.29Å; F433-Y435 PolarHBondContact O-N 2.93Å; F433-W518 HydrophobicContact CE2-CB 4.2Å; F433-W518 HydrophobicContact CE2-CD2 4.13Å; F433-W518 AromaticContact CE2-CG 3.91Å; F433-W518 HydrophobicContact CE2-CG 3.91Å; F433-W518 AromaticContact CZ-CD2 3.81Å; F433-W518 HydrophobicContact CZ-CD2 3.81Å; F433-W518 AromaticContact CZ-CE3 3.99Å; F433-W518 HydrophobicContact CZ-CE3 3.99Å; F433-W518 HydrophobicContact CZ-CG 4.1Å; F433-W518 HydrophobicContact CZ-CZ3 4.49Å; F433-A529 HydrophobicContact CE1-CB 3.68Å; F433-A529 HydrophobicContact CE2-CB 4.37Å; F433-A529 HydrophobicContact CZ-CB 3.47Å; F433-A529 VanDerWaalsContact CZ-CB 3.47Å; F433-F562 HydrophobicContact CD2-CD1 4.05Å; F433-F562 AromaticContact CD2-CE1 3.64Å; F433-F562 HydrophobicContact CD2-CE1 3.64Å; F433-F562 HydrophobicContact CD2-CZ 4.5Å; F433-F562 HydrophobicContact CE2-CD1 4.18Å; F433-F562 HydrophobicContact CE2-CE1 4.2Å; F433-F562 HydrophobicContact CG-CE1 4.48Å |
| 434 | G | 90.4 | Very high | 84 | Confident | 36 Ų | 36 | 62.2 Ų | 62.2 | 37% | 0.371 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -4.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L432 | L432-G434 PolarHBondContact O-N 2.81Š|
| 435 | Y | 91 | Very high | 84.6 | Confident | 125 Ų | 125 | 58.4 Ų | 58.4 | 49% | 0.49 | 31% | 0.314 | S | S | . | . | trans | -103.8 | 118.2 | 175.9 | -72 | -83.4 | 0 | 0 | 0 | 110.8 | V384 L432 F433 M437 F562 | V384-Y435 HydrophobicContact CG1-CD2 4.31Å; V384-Y435 HydrophobicContact CG1-CE2 3.73Å; L432-Y435 HydrophobicContact CB-CD2 4.06Å; L432-Y435 PolarHBondContact O-N 2.84Å; F433-Y435 VanDerWaalsContact C-N 3.29Å; F433-Y435 PolarHBondContact O-N 2.93Å; Y435-M437 WeakPolarHBondContact O-CG 3.41Å; Y435-M437 PolarHBondContact O-N 3.18Å; Y435-F562 VanDerWaalsContact O-CD2 3.3Å; Y435-F562 WeakPolarHBondContact O-CD2 3.47Å; Y435-F562 WeakPolarHBondContact O-CE2 3.42Å | ||
| 436 | T | 91.2 | Very high | 85 | Confident | 101 Ų | 101 | 56.8 Ų | 56.8 | 62% | 0.62 | 31% | 0.314 | S | S | * | . | trans | -73.3 | 124.3 | 166.4 | -65.8 | 0 | 0 | 0 | 0 | 108.3 | V560 T561 | T436-V560 CarbonylContact C-O 3.53Å; T436-V560 VanDerWaalsContact CA-O 3.31Å; T436-V560 WeakPolarHBondContact CA-O 3.37Å; T436-V560 WeakPolarHBondContact CG2-O 3.38Å; T436-T561 HydrophobicContact CG2-CG2 4.07Å | ||
| 437 | M | 90.6 | Very high | 85.2 | Confident | 42 Ų | 42 | 55.2 Ų | 55.2 | 21% | 0.207 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 143.1 | -171.1 | -59.8 | 179.2 | 80.3 | 0 | 0 | 110.7 | I412 T429 Y435 A559 V560 | I412-M437 HydrophobicContact CD1-CB 4.11Å; T429-M437 HydrophobicContact CG2-CE 3.66Å; Y435-M437 WeakPolarHBondContact O-CG 3.41Å; Y435-M437 PolarHBondContact O-N 3.18Å; M437-A559 CarbonylContact O-C 3.49Å; M437-A559 WeakPolarHBondContact O-CA 3.36Å; M437-V560 PolarHBondContact N-O 2.81Å; M437-V560 PolarHBondContact O-N 3.15Å |
| 438 | Q | 92.4 | Very high | 85 | Confident | 164 Ų | 164 | 55.2 Ų | 55.2 | 77% | 0.766 | 31% | 0.305 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135.1 | 170.8 | -171.9 | 177.6 | 11.3 | 0 | 0 | 109.4 | T558 A559 | Q438-T558 WeakPolarHBondContact CA-O 3.47Å; Q438-A559 HydrophobicContact CG-CB 4.39Å |
| 439 | S | 90.6 | Very high | 84.6 | Confident | 16 Ų | 16 | 57.5 Ų | 57.5 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 148.9 | 179.5 | -179 | 0 | 0 | 0 | 0 | 109.9 | L413 S415 S557 T558 | L413-S439 WeakPolarHBondContact O-CB 3.41Å; L413-S439 PolarHBondContact O-OG 2.91Å; S415-S439 PolarHBondContact N-OG 2.93Å; S439-S557 CarbonylContact O-C 3.58Å; S439-S557 VanDerWaalsContact O-CA 3.27Å; S439-S557 WeakPolarHBondContact O-CA 3.26Å; S439-S557 WeakPolarHBondContact O-CB 3.25Å; S439-T558 PolarHBondContact N-O 2.98Å; S439-T558 PolarHBondContact O-N 3.29Å |
| 440 | G | 89.9 | Confident | 84.3 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 25% | 0.247 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.7 | 158.7 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | S415 I556 | S415-G440 VanDerWaalsContact CB-O 3.3Å; S415-G440 WeakPolarHBondContact CB-O 3.26Å; S415-G440 PolarHBondContact OG-O 2.99Å; G440-I556 CarbonylContact C-O 3.14Å; G440-I556 WeakPolarHBondContact CA-O 3.37Å |
| 441 | C | 88.6 | Confident | 83.8 | Confident | 5 Ų | 5 | 58.8 Ų | 58.8 | 3% | 0.034 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 167.3 | 178 | 66.4 | 0 | 0 | 0 | 0 | 110.7 | L413 Q419 C421 I556 | L413-C441 HydrophobicContact CD2-CB 4.21Å; L413-C441 WeakPolarHBondContact CD2-SG 3.08Å; Q419-C441 CarbonylContact O-C 3.54Å; C421-C441 WeakPolarHBondContact CA-SG 3.35Å; C421-C441 HydrophobicContact CB-CB 3.94Å; C421-C441 WeakPolarHBondContact CB-SG 3.44Å; C421-C441 WeakPolarHBondContact SG-CB 3.33Å; C421-C441 CovalentContact SG-SG 2.02Å; C421-C441 PolarHBondContact SG-SG 2.95Å; C441-I556 PolarHBondContact N-O 2.66Å; C441-I556 PolarHBondContact O-N 3.17Å |
| 442 | K | 86.1 | Confident | 83.2 | Confident | 82 Ų | 82 | 67.9 Ų | 67.9 | 36% | 0.357 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.5 | 178.7 | -69 | 168.7 | 180 | 162.5 | 0 | 108 | Q419 C421 T553 I554 L555 | Q419-K442 HydrophobicContact CB-CD 4.29Å; Q419-K442 WeakPolarHBondContact O-CA 3.46Å; Q419-K442 WeakPolarHBondContact O-CB 3.43Å; Q419-K442 PolarHBondContact O-N 2.83Å; C421-K442 PolarHBondContact N-O 3.35Å; C421-K442 VanDerWaalsContact N-O 3.16Å; C421-K442 PolarHBondContact SG-N 2.88Å; C421-K442 PolarHBondContact SG-O 3.18Å; K442-T553 HydrophobicContact CB-CG2 3.72Å; K442-T553 HydrophobicContact CD-CG2 4.49Å; K442-T553 HydrophobicContact CG-CG2 4.04Å; K442-I554 WeakPolarHBondContact CA-O 3.5Å; K442-L555 HydrophobicContact CG-CD2 3.68Å |
| 443 | L | 83.7 | Confident | 82.7 | Confident | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.01 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.9 | 171.8 | -179.7 | 66.9 | 0 | 0 | 0 | 108.6 | C421 L422 L445 V458 L461 T553 I554 I556 | C421-L443 HydrophobicContact CB-CB 4.35Å; C421-L443 HydrophobicContact CB-CD1 4.34Å; L422-L443 HydrophobicContact CD1-CD1 3.88Å; L422-L443 HydrophobicContact CD2-CD1 4.19Å; L422-L443 HydrophobicContact CG-CD1 3.91Å; L443-L445 HydrophobicContact CD2-CD2 4.23Å; L443-L445 HydrophobicContact CG-CD2 4.28Å; L443-V458 HydrophobicContact CD2-CG2 3.79Å; L443-L461 HydrophobicContact CD1-CD1 4.37Å; L443-L461 HydrophobicContact CD2-CD1 4.21Å; L443-T553 WeakPolarHBondContact O-CA 3.47Å; L443-I554 HydrophobicContact CB-CB 4.47Å; L443-I554 PolarHBondContact N-O 2.85Å; L443-I554 PolarHBondContact O-N 2.91Å; L443-I556 HydrophobicContact CB-CD1 3.71Å; L443-I556 HydrophobicContact CD2-CD1 3.96Å; L443-I556 HydrophobicContact CG-CD1 4.45Å |
| 444 | R | 79.9 | Confident | 82.1 | Confident | 171 Ų | 171 | 70.7 Ų | 70.7 | 65% | 0.645 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 132.1 | 174.3 | -63.6 | -176.3 | -177.6 | 178.8 | 3.7 | 110.1 | ||
| 445 | L | 75.8 | Confident | 81.8 | Confident | 19 Ų | 19 | 69.9 Ų | 69.9 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 113.6 | 175.3 | -59.7 | -178.5 | 0 | 0 | 0 | 109.4 | L443 G447 L449 V454 F543 E551 R552 I554 | L443-L445 HydrophobicContact CD2-CD2 4.23Å; L443-L445 HydrophobicContact CG-CD2 4.28Å; L445-G447 PolarHBondContact O-N 3.3Å; L445-L449 HydrophobicContact CD2-CD1 4.36Å; L445-V454 HydrophobicContact CD1-CG1 4.04Å; L445-V454 HydrophobicContact CD1-CG2 4.27Å; L445-V454 HydrophobicContact CD2-CG1 4.25Å; L445-V454 HydrophobicContact CD2-CG2 4.5Å; L445-F543 HydrophobicContact CD1-CZ 4.2Å; L445-E551 WeakPolarHBondContact O-CA 3.3Å; L445-R552 PolarHBondContact N-O 3.18Å; L445-R552 PolarHBondContact O-N 3.39Å; L445-I554 HydrophobicContact CD1-CD1 3.42Å; L445-I554 VanDerWaalsContact CD1-CD1 3.42Å; L445-I554 HydrophobicContact CD1-CG1 4.36Å; L445-I554 HydrophobicContact CD2-CD1 4.44Å; L445-I554 HydrophobicContact CG-CD1 3.96Å |
| 446 | T | 65.4 | Low | 81.4 | Confident | 112 Ų | 112 | 68.6 Ų | 68.6 | 69% | 0.687 | 37% | 0.367 | S | S | * | . | trans | -95.4 | 79.9 | 176.9 | 54.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 447 | G | 66.3 | Low | 81 | Confident | 38 Ų | 38 | 68.5 Ų | 68.5 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 120.5 | 173.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L445 L449 | L445-G447 PolarHBondContact O-N 3.3Å; G447-L449 PolarHBondContact O-N 3.46Å |
| 448 | A | 66.8 | Low | 80.8 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 60% | 0.603 | 35% | 0.348 | S | S | * | . | trans | -78.3 | 97 | 179 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 449 | L | 71.8 | Confident | 80.4 | Confident | 97 Ų | 97 | 63.6 Ų | 63.6 | 51% | 0.508 | 33% | 0.333 | S | S | . | . | trans | -99.9 | 141.7 | 175.2 | -71.5 | 170.3 | 0 | 0 | 0 | 111.1 | L445 G447 C451 V454 | L445-L449 HydrophobicContact CD2-CD1 4.36Å; G447-L449 PolarHBondContact O-N 3.46Å; L449-C451 PolarHBondContact O-N 3.39Å; L449-V454 HydrophobicContact CB-CG2 3.77Å; L449-V454 HydrophobicContact CD1-CG2 4.45Å | ||
| 450 | P | 79.5 | Confident | 80 | Confident | 78 Ų | 78 | 68.1 Ų | 68.1 | 51% | 0.506 | 36% | 0.356 | S | S | . | . | trans | -55.6 | 129.6 | 171.7 | -22.6 | 30.6 | 0 | 0 | 0 | 110.9 | R452 L453 V454 | P450-R452 PolarHBondContact O-N 2.98Å; P450-R452 VanDerWaalsContact O-N 3.15Å; P450-L453 HydrophobicContact CB-CD1 4.31Å; P450-L453 HydrophobicContact CB-CG 4.33Å; P450-L453 HydrophobicContact CG-CD1 4Å; P450-L453 WeakPolarHBondContact O-CB 3.39Å; P450-L453 PolarHBondContact O-N 2.87Å; P450-V454 PolarHBondContact O-N 3.3Å | ||
| 451 | C | 78.6 | Confident | 79.7 | Confident | 7 Ų | 7 | 68.3 Ų | 68.3 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -60.3 | -32.4 | -173.3 | 178.1 | 0 | 0 | 0 | 0 | 113.2 | L449 L453 V454 A455 C506 F543 | L449-C451 PolarHBondContact O-N 3.39Å; C451-L453 VanDerWaalsContact C-N 3.28Å; C451-L453 PolarHBondContact O-N 3.46Å; C451-V454 PolarHBondContact O-N 3.1Å; C451-A455 WeakPolarHBondContact O-CB 3.31Å; C451-A455 PolarHBondContact O-N 3.01Å; C451-C506 HydrophobicContact CB-CB 3.42Å; C451-C506 VanDerWaalsContact CB-CB 3.42Å; C451-C506 WeakPolarHBondContact CB-SG 3.38Å; C451-C506 WeakPolarHBondContact SG-CB 3.38Å; C451-C506 CovalentContact SG-SG 2Å; C451-C506 PolarHBondContact SG-SG 2.8Å; C451-F543 HydrophobicContact CB-CD1 4.07Å; C451-F543 VanDerWaalsContact SG-CD1 3.54Å |
| 452 | R | 81.8 | Confident | 79.6 | Confident | 192 Ų | 192 | 68.1 Ų | 68.1 | 73% | 0.725 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -56.7 | -39.7 | 174.1 | -172.3 | 179.8 | -179.3 | -176.6 | 1.8 | 112.9 | P450 Q456 | P450-R452 PolarHBondContact O-N 2.98Å; P450-R452 VanDerWaalsContact O-N 3.15Å; R452-Q456 WeakPolarHBondContact O-CG 3.35Å; R452-Q456 PolarHBondContact O-N 3.31Å |
| 453 | L | 81.3 | Confident | 79.5 | Confident | 96 Ų | 96 | 65.7 Ų | 65.7 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.8 | -41 | 178.8 | -65.5 | 179.3 | 0 | 0 | 0 | 111.1 | P450 C451 Q456 K457 | P450-L453 HydrophobicContact CB-CD1 4.31Å; P450-L453 HydrophobicContact CB-CG 4.33Å; P450-L453 HydrophobicContact CG-CD1 4Å; P450-L453 WeakPolarHBondContact O-CB 3.39Å; P450-L453 PolarHBondContact O-N 2.87Å; C451-L453 VanDerWaalsContact C-N 3.28Å; C451-L453 PolarHBondContact O-N 3.46Å; L453-Q456 PolarHBondContact O-N 3.33Å; L453-K457 WeakPolarHBondContact O-CB 3.31Å; L453-K457 PolarHBondContact O-N 3.33Å |
| 454 | V | 82.3 | Confident | 79.1 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.03 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62 | -45.7 | 174.8 | -174.2 | 0 | 0 | 0 | 0 | 110 | L445 L449 P450 C451 Q456 K457 V458 L508 I554 | L445-V454 HydrophobicContact CD1-CG1 4.04Å; L445-V454 HydrophobicContact CD1-CG2 4.27Å; L445-V454 HydrophobicContact CD2-CG1 4.25Å; L445-V454 HydrophobicContact CD2-CG2 4.5Å; L449-V454 HydrophobicContact CB-CG2 3.77Å; L449-V454 HydrophobicContact CD1-CG2 4.45Å; P450-V454 PolarHBondContact O-N 3.3Å; C451-V454 PolarHBondContact O-N 3.1Å; V454-Q456 PolarHBondContact O-N 3.39Å; V454-K457 PolarHBondContact O-N 3.48Å; V454-V458 HydrophobicContact CG1-CG2 4.21Å; V454-V458 VanDerWaalsContact O-CG2 3.3Å; V454-V458 WeakPolarHBondContact O-CG2 3.36Å; V454-V458 PolarHBondContact O-N 3.18Å; V454-L508 HydrophobicContact CB-CD1 4.19Å; V454-L508 HydrophobicContact CG1-CD1 3.7Å; V454-I554 HydrophobicContact CG1-CD1 3.8Å |
| 455 | A | 83.9 | Confident | 78.3 | Confident | 18 Ų | 18 | 67.8 Ų | 67.8 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.1 | -42 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C451 K459 L508 | C451-A455 WeakPolarHBondContact O-CB 3.31Å; C451-A455 PolarHBondContact O-N 3.01Å; A455-K459 WeakPolarHBondContact O-CB 3.43Å; A455-K459 PolarHBondContact O-N 2.73Å; A455-L508 HydrophobicContact CB-CD1 4.03Å |
| 456 | Q | 82.9 | Confident | 78 | Confident | 99 Ų | 99 | 69.3 Ų | 69.3 | 46% | 0.463 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 173.6 | -76.5 | -179 | -17.2 | 0 | 0 | 112 | R452 L453 V454 K459 N460 | R452-Q456 WeakPolarHBondContact O-CG 3.35Å; R452-Q456 PolarHBondContact O-N 3.31Å; L453-Q456 PolarHBondContact O-N 3.33Å; V454-Q456 PolarHBondContact O-N 3.39Å; Q456-K459 PolarHBondContact O-N 3.16Å; Q456-N460 WeakPolarHBondContact O-CB 3.37Å; Q456-N460 PolarHBondContact O-N 3.06Å; Q456-N460 PolarHBondContact O-ND2 3.46Å; Q456-N460 PolarHBondContact O-OD1 3.36Å |
| 457 | K | 82.2 | Confident | 78.8 | Confident | 99 Ų | 99 | 65 Ų | 65 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 178.4 | -168.8 | 167.6 | -175.9 | 176.1 | 0 | 111.5 | L453 V454 N460 L461 | L453-K457 WeakPolarHBondContact O-CB 3.31Å; L453-K457 PolarHBondContact O-N 3.33Å; V454-K457 PolarHBondContact O-N 3.48Å; K457-N460 PolarHBondContact O-N 3.07Å; K457-L461 WeakPolarHBondContact O-CG 3.22Å; K457-L461 PolarHBondContact O-N 2.92Å |
| 458 | V | 86.1 | Confident | 79.8 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 177.1 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | L443 V454 N460 L461 L462 L508 P509 I556 | L443-V458 HydrophobicContact CD2-CG2 3.79Å; V454-V458 HydrophobicContact CG1-CG2 4.21Å; V454-V458 VanDerWaalsContact O-CG2 3.3Å; V454-V458 WeakPolarHBondContact O-CG2 3.36Å; V454-V458 PolarHBondContact O-N 3.18Å; V458-N460 VanDerWaalsContact C-N 3.33Å; V458-N460 PolarHBondContact O-N 3.25Å; V458-L461 WeakPolarHBondContact O-CB 3.29Å; V458-L461 PolarHBondContact O-N 2.85Å; V458-L461 VanDerWaalsContact O-N 3.14Å; V458-L462 HydrophobicContact CG1-CD1 4.08Å; V458-L462 HydrophobicContact CG1-CG 4.4Å; V458-L462 WeakPolarHBondContact O-CG 3.22Å; V458-L462 PolarHBondContact O-N 3.49Å; V458-L508 HydrophobicContact CB-CD1 4.42Å; V458-L508 HydrophobicContact CG2-CD1 4.09Å; V458-P509 HydrophobicContact CG1-CG 4.44Å; V458-P509 WeakPolarHBondContact CG1-O 3.39Å; V458-I556 HydrophobicContact CB-CD1 4.3Å; V458-I556 HydrophobicContact CG1-CD1 3.76Å; V458-I556 HydrophobicContact CG1-CG1 3.9Å; V458-I556 HydrophobicContact CG1-CG2 4.22Å; V458-I556 HydrophobicContact CG2-CD1 3.86Å |
| 459 | K | 84.8 | Confident | 80.7 | Confident | 102 Ų | 102 | 62.7 Ų | 62.7 | 44% | 0.443 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.4 | -46.9 | 173.7 | -174.9 | 172.8 | 179.8 | 177 | 0 | 110.8 | A455 Q456 L461 L462 W463 P509 | A455-K459 WeakPolarHBondContact O-CB 3.43Å; A455-K459 PolarHBondContact O-N 2.73Å; Q456-K459 PolarHBondContact O-N 3.16Å; K459-L461 VanDerWaalsContact C-N 3.29Å; K459-L461 PolarHBondContact O-N 3.14Å; K459-L462 PolarHBondContact O-N 3.12Å; K459-W463 PolarHBondContact O-N 2.83Å; K459-P509 HydrophobicContact CB-CG 4.29Å |
| 460 | N | 82.9 | Confident | 81.6 | Confident | 111 Ų | 111 | 60 Ų | 60 | 59% | 0.594 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.8 | -32.9 | 177.3 | -67.2 | -13.7 | 0 | 0 | 0 | 112.8 | Q456 K457 V458 G464 | Q456-N460 WeakPolarHBondContact O-CB 3.37Å; Q456-N460 PolarHBondContact O-N 3.06Å; Q456-N460 PolarHBondContact O-ND2 3.46Å; Q456-N460 PolarHBondContact O-OD1 3.36Å; K457-N460 PolarHBondContact O-N 3.07Å; V458-N460 VanDerWaalsContact C-N 3.33Å; V458-N460 PolarHBondContact O-N 3.25Å; N460-G464 WeakPolarHBondContact O-CA 3.3Å; N460-G464 PolarHBondContact O-N 2.95Å |
| 461 | L | 83.1 | Confident | 82.2 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 15% | 0.152 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68 | -44.5 | 174 | -70.9 | 168.2 | 0 | 0 | 0 | 111.8 | C421 L422 R428 L443 K457 V458 K459 I556 | C421-L461 HydrophobicContact CB-CD1 4.13Å; L422-L461 HydrophobicContact CD2-CD2 4.3Å; R428-L461 PolarHBondContact NH1-O 2.92Å; L443-L461 HydrophobicContact CD1-CD1 4.37Å; L443-L461 HydrophobicContact CD2-CD1 4.21Å; K457-L461 WeakPolarHBondContact O-CG 3.22Å; K457-L461 PolarHBondContact O-N 2.92Å; V458-L461 WeakPolarHBondContact O-CB 3.29Å; V458-L461 PolarHBondContact O-N 2.85Å; V458-L461 VanDerWaalsContact O-N 3.14Å; K459-L461 VanDerWaalsContact C-N 3.29Å; K459-L461 PolarHBondContact O-N 3.14Å; L461-I556 HydrophobicContact CD1-CD1 3.81Å |
| 462 | L | 87.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.1 | -53.5 | 179.3 | -73.4 | 171.4 | 0 | 0 | 0 | 111.7 | R428 V458 K459 P509 L512 L538 I556 S557 T558 | R428-L462 PolarHBondContact NH2-O 2.84Å; V458-L462 HydrophobicContact CG1-CD1 4.08Å; V458-L462 HydrophobicContact CG1-CG 4.4Å; V458-L462 WeakPolarHBondContact O-CG 3.22Å; V458-L462 PolarHBondContact O-N 3.49Å; K459-L462 PolarHBondContact O-N 3.12Å; L462-P509 HydrophobicContact CD1-CB 4.23Å; L462-P509 WeakPolarHBondContact CD1-O 3.24Å; L462-L512 HydrophobicContact CB-CB 4.27Å; L462-L512 HydrophobicContact CD2-CB 4Å; L462-L538 HydrophobicContact CD1-CD1 3.62Å; L462-I556 HydrophobicContact CD1-CG2 4.45Å; L462-I556 HydrophobicContact CD2-CG2 3.36Å; L462-I556 HydrophobicContact CG-CG2 3.73Å; L462-S557 VanDerWaalsContact CD2-O 3.23Å; L462-S557 WeakPolarHBondContact CD2-O 3.33Å; L462-T558 HydrophobicContact CD2-CG2 3.71Å |
| 463 | W | 84 | Confident | 83.3 | Confident | 32 Ų | 32 | 47 Ų | 47 | 12% | 0.121 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -77.3 | -28.8 | -178.5 | -64.5 | 107.4 | 0 | 0 | 0 | 113.3 | K459 F467 F490 L512 A536 L538 | K459-W463 PolarHBondContact O-N 2.83Å; W463-F467 HydrophobicContact CB-CB 4.23Å; W463-F467 HydrophobicContact CD2-CG 4.48Å; W463-F467 HydrophobicContact CE3-CB 3.93Å; W463-F467 AromaticContact CE3-CD1 3.58Å; W463-F467 HydrophobicContact CE3-CD1 3.58Å; W463-F467 AromaticContact CE3-CD2 3.55Å; W463-F467 HydrophobicContact CE3-CD2 3.55Å; W463-F467 AromaticContact CE3-CE1 3.84Å; W463-F467 HydrophobicContact CE3-CE1 3.84Å; W463-F467 AromaticContact CE3-CE2 3.79Å; W463-F467 HydrophobicContact CE3-CE2 3.79Å; W463-F467 AromaticContact CE3-CG 3.4Å; W463-F467 HydrophobicContact CE3-CG 3.4Å; W463-F467 AromaticContact CE3-CZ 3.9Å; W463-F467 HydrophobicContact CE3-CZ 3.9Å; W463-F467 AromaticContact CZ3-CD1 3.63Å; W463-F467 HydrophobicContact CZ3-CD1 3.63Å; W463-F467 HydrophobicContact CZ3-CD2 4.11Å; W463-F467 AromaticContact CZ3-CE1 3.45Å; W463-F467 HydrophobicContact CZ3-CE1 3.45Å; W463-F467 VanDerWaalsContact CZ3-CE1 3.45Å; W463-F467 AromaticContact CZ3-CE2 3.93Å; W463-F467 HydrophobicContact CZ3-CE2 3.93Å; W463-F467 AromaticContact CZ3-CG 3.94Å; W463-F467 HydrophobicContact CZ3-CG 3.94Å; W463-F467 AromaticContact CZ3-CZ 3.57Å; W463-F467 HydrophobicContact CZ3-CZ 3.57Å; W463-F490 HydrophobicContact CE3-CE1 4.25Å; W463-F490 AromaticContact CH2-CD1 3.41Å; W463-F490 HydrophobicContact CH2-CD1 3.41Å; W463-F490 VanDerWaalsContact CH2-CD1 3.41Å; W463-F490 AromaticContact CH2-CE1 3.74Å; W463-F490 HydrophobicContact CH2-CE1 3.74Å; W463-F490 HydrophobicContact CZ2-CD1 4.17Å; W463-F490 AromaticContact CZ3-CD1 3.7Å; W463-F490 HydrophobicContact CZ3-CD1 3.7Å; W463-F490 AromaticContact CZ3-CE1 3.5Å; W463-F490 HydrophobicContact CZ3-CE1 3.5Å; W463-F490 VanDerWaalsContact CZ3-CE1 3.5Å; W463-L512 HydrophobicContact CD2-CD2 4.28Å; W463-L512 HydrophobicContact CE3-CD1 4.34Å; W463-L512 HydrophobicContact CE3-CD2 3.87Å; W463-L512 HydrophobicContact CH2-CD1 3.34Å; W463-L512 HydrophobicContact CH2-CD2 4.37Å; W463-L512 HydrophobicContact CZ2-CD1 3.72Å; W463-L512 HydrophobicContact CZ3-CD1 3.69Å; W463-L512 HydrophobicContact CZ3-CD2 3.91Å; W463-L512 HydrophobicContact CZ3-CG 4.46Å; W463-A536 HydrophobicContact CH2-CB 3.71Å; W463-A536 HydrophobicContact CZ3-CB 3.84Å; W463-L538 HydrophobicContact CZ2-CB 4.24Å; W463-L538 HydrophobicContact CZ2-CD1 4.28Å |
| 464 | G | 75.1 | Confident | 83.7 | Confident | 17 Ų | 17 | 43.4 Ų | 43.4 | 18% | 0.175 | 23% | 0.225 | C | C | . | . | trans | 73.2 | -176.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R428 N460 G466 | R428-G464 VanDerWaalsContact NH1-CA 3.31Å; N460-G464 WeakPolarHBondContact O-CA 3.3Å; N460-G464 PolarHBondContact O-N 2.95Å; G464-G466 PolarHBondContact O-N 3.38Å | ||
| 465 | Q | 63 | Low | 84 | Confident | 199 Ų | 199 | 43.2 Ų | 43.2 | 93% | 0.93 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -83.2 | 104.5 | 172.3 | -67 | -171.4 | 10.4 | 0 | 0 | 109.5 | ||
| 466 | G | 68.2 | Low | 84.1 | Confident | 51 Ų | 51 | 44.3 Ų | 44.3 | 53% | 0.526 | 23% | 0.227 | S | C | . | . | trans | 83.3 | 74.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F392 G464 | F392-G466 VanDerWaalsContact CZ-O 3.31Å; F392-G466 WeakPolarHBondContact CZ-O 3.16Å; G464-G466 PolarHBondContact O-N 3.38Å | ||
| 467 | F | 82.1 | Confident | 84.3 | Confident | 22 Ų | 22 | 40.7 Ų | 40.7 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | trans | -81.6 | 131.6 | 167.5 | -166.8 | -91.3 | 0 | 0 | 0 | 109.4 | F392 F410 W463 I488 F490 L512 I514 A536 | F392-F467 WeakPolarHBondContact CE1-O 3.49Å; F410-F467 HydrophobicContact CD2-CE2 4.39Å; F410-F467 HydrophobicContact CD2-CZ 4.31Å; F410-F467 AromaticContact CE2-CE1 3.93Å; F410-F467 HydrophobicContact CE2-CE1 3.93Å; F410-F467 AromaticContact CE2-CE2 3.84Å; F410-F467 HydrophobicContact CE2-CE2 3.84Å; F410-F467 AromaticContact CE2-CZ 3.39Å; F410-F467 HydrophobicContact CE2-CZ 3.39Å; F410-F467 HydrophobicContact CZ-CZ 4.1Å; W463-F467 HydrophobicContact CB-CB 4.23Å; W463-F467 HydrophobicContact CD2-CG 4.48Å; W463-F467 HydrophobicContact CE3-CB 3.93Å; W463-F467 AromaticContact CE3-CD1 3.58Å; W463-F467 HydrophobicContact CE3-CD1 3.58Å; W463-F467 AromaticContact CE3-CD2 3.55Å; W463-F467 HydrophobicContact CE3-CD2 3.55Å; W463-F467 AromaticContact CE3-CE1 3.84Å; W463-F467 HydrophobicContact CE3-CE1 3.84Å; W463-F467 AromaticContact CE3-CE2 3.79Å; W463-F467 HydrophobicContact CE3-CE2 3.79Å; W463-F467 AromaticContact CE3-CG 3.4Å; W463-F467 HydrophobicContact CE3-CG 3.4Å; W463-F467 AromaticContact CE3-CZ 3.9Å; W463-F467 HydrophobicContact CE3-CZ 3.9Å; W463-F467 AromaticContact CZ3-CD1 3.63Å; W463-F467 HydrophobicContact CZ3-CD1 3.63Å; W463-F467 HydrophobicContact CZ3-CD2 4.11Å; W463-F467 AromaticContact CZ3-CE1 3.45Å; W463-F467 HydrophobicContact CZ3-CE1 3.45Å; W463-F467 VanDerWaalsContact CZ3-CE1 3.45Å; W463-F467 AromaticContact CZ3-CE2 3.93Å; W463-F467 HydrophobicContact CZ3-CE2 3.93Å; W463-F467 AromaticContact CZ3-CG 3.94Å; W463-F467 HydrophobicContact CZ3-CG 3.94Å; W463-F467 AromaticContact CZ3-CZ 3.57Å; W463-F467 HydrophobicContact CZ3-CZ 3.57Å; F467-I488 HydrophobicContact CE1-CD1 3.93Å; F467-I488 HydrophobicContact CE1-CG2 4.22Å; F467-F490 AromaticContact CD1-CE1 3.55Å; F467-F490 HydrophobicContact CD1-CE1 3.55Å; F467-F490 AromaticContact CD1-CZ 3.85Å; F467-F490 HydrophobicContact CD1-CZ 3.85Å; F467-F490 AromaticContact CE1-CE1 3.58Å; F467-F490 HydrophobicContact CE1-CE1 3.58Å; F467-F490 HydrophobicContact CE1-CZ 4.04Å; F467-L512 HydrophobicContact CE2-CD2 4.32Å; F467-I514 HydrophobicContact CE2-CD1 4.01Å; F467-I514 HydrophobicContact CZ-CD1 3.89Å; F467-A536 HydrophobicContact CE1-CB 4.37Å; F467-A536 HydrophobicContact CZ-CB 4.35Å | ||
| 468 | P | 88.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | trans | -68.3 | 158.8 | -171.7 | 28 | -35.4 | 0 | 0 | 0 | 112.7 | A390 G391 Q409 F410 I488 | A390-P468 HydrophobicContact CB-CB 3.73Å; A390-P468 HydrophobicContact CB-CG 3.62Å; G391-P468 VanDerWaalsContact O-CB 3.29Å; G391-P468 WeakPolarHBondContact O-CB 3.39Å; Q409-P468 WeakPolarHBondContact O-CG 3.42Å; F410-P468 HydrophobicContact CD2-CG 3.42Å; F410-P468 VanDerWaalsContact CD2-CG 3.42Å; F410-P468 HydrophobicContact CE2-CG 3.95Å; F410-P468 HydrophobicContact CG-CG 4.39Å; P468-I488 HydrophobicContact CG-CD1 4.01Å; P468-I488 WeakPolarHBondContact O-CD1 3.36Å | ||
| 469 | D | 85.4 | Confident | 84 | Confident | 60 Ų | 60 | 42.1 Ų | 42.1 | 32% | 0.321 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -94.1 | -27.9 | 176.9 | -55 | -54.8 | 0 | 0 | 0 | 111.4 | G391 F392 Q393 I488 | G391-D469 PolarHBondContact O-N 3.39Å; F392-D469 WeakPolarHBondContact CA-OD2 3.35Å; Q393-D469 PolarHBondContact N-OD2 2.85Å; D469-I488 PolarHBondContact O-N 3.37Å |
| 470 | Y | 90.3 | Very high | 83.7 | Confident | 42 Ų | 42 | 43.1 Ų | 43.1 | 17% | 0.165 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 151.3 | -175.8 | -67.3 | -100 | 0 | 0 | 0 | 112.2 | A390 G391 Q393 I400 W485 V486 P487 | A390-Y470 CarbonylContact C-O 3.56Å; A390-Y470 VanDerWaalsContact CA-O 3.22Å; A390-Y470 WeakPolarHBondContact CA-O 3.49Å; A390-Y470 VanDerWaalsContact CB-O 3.31Å; A390-Y470 WeakPolarHBondContact CB-O 3.31Å; G391-Y470 PolarHBondContact N-O 2.91Å; G391-Y470 PolarHBondContact O-N 2.85Å; Q393-Y470 HydrophobicContact CB-CD2 4.07Å; Q393-Y470 HydrophobicContact CB-CE2 3.57Å; Q393-Y470 HydrophobicContact CG-CE2 4.25Å; Q393-Y470 PolarHBondContact OE1-OH 3.46Å; I400-Y470 HydrophobicContact CD1-CD1 4.46Å; I400-Y470 HydrophobicContact CD1-CD2 3.85Å; I400-Y470 HydrophobicContact CD1-CG 3.85Å; Y470-W485 HydrophobicContact CD1-CB 3.92Å; Y470-W485 HydrophobicContact CG-CB 4.37Å; Y470-V486 CarbonylContact C-O 3.53Å; Y470-V486 VanDerWaalsContact CA-O 3.31Å; Y470-V486 WeakPolarHBondContact CA-O 3.43Å; Y470-P487 HydrophobicContact CD1-CB 4.03Å; Y470-P487 HydrophobicContact CE1-CB 3.71Å; Y470-P487 HydrophobicContact CE1-CG 4.42Å |
| 471 | V | 93.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140.3 | 171.1 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | A389 A390 W485 V486 I488 I531 V534 | A389-V471 WeakPolarHBondContact O-CA 3.2Å; A389-V471 WeakPolarHBondContact O-CG1 3.42Å; A390-V471 HydrophobicContact CB-CG2 4.21Å; V471-W485 VanDerWaalsContact C-CE3 3.45Å; V471-V486 PolarHBondContact N-O 2.85Å; V471-V486 PolarHBondContact O-N 2.95Å; V471-I488 HydrophobicContact CG2-CD1 3.67Å; V471-I488 HydrophobicContact CG2-CG1 3.83Å; V471-I531 HydrophobicContact CG1-CD1 3.6Å; V471-I531 HydrophobicContact CG1-CG2 4.33Å; V471-V534 HydrophobicContact CB-CG2 4.1Å; V471-V534 HydrophobicContact CG1-CG2 4.45Å; V471-V534 HydrophobicContact CG2-CG2 3.99Å |
| 472 | A | 92 | Very high | 83 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | trans | -67.6 | 141.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y382 A389 F474 W485 | Y382-A472 WeakPolarHBondContact CE2-O 3.32Å; Y382-A472 PolarHBondContact OH-O 3.46Å; A389-A472 HydrophobicContact CB-CB 3.89Å; A389-A472 PolarHBondContact O-N 3.01Å; A472-F474 VanDerWaalsContact C-N 3.35Å; A472-W485 HydrophobicContact CB-CD2 4.3Å; A472-W485 HydrophobicContact CB-CE3 4.1Å; A472-W485 HydrophobicContact CB-CH2 3.65Å; A472-W485 HydrophobicContact CB-CZ2 3.91Å; A472-W485 HydrophobicContact CB-CZ3 3.77Å | ||
| 473 | P | 90.5 | Very high | 82.3 | Confident | 3 Ų | 3 | 49.7 Ų | 49.7 | 2% | 0.019 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -69.3 | -34.7 | 178.6 | 29.1 | -37 | 0 | 0 | 0 | 111.7 | S477 D484 V486 K530 I531 | P473-S477 VanDerWaalsContact CD-OG 3.3Å; P473-S477 WeakPolarHBondContact CD-OG 3.24Å; P473-S477 WeakPolarHBondContact CG-OG 3.23Å; P473-D484 WeakPolarHBondContact CD-O 3.29Å; P473-D484 HydrophobicContact CG-CB 4.36Å; P473-D484 WeakPolarHBondContact CG-O 3.32Å; P473-V486 HydrophobicContact CB-CG2 4.36Å; P473-K530 HydrophobicContact CB-CG 4.13Å; P473-K530 CarbonylContact O-C 3.52Å; P473-K530 VanDerWaalsContact O-CA 3.24Å; P473-K530 WeakPolarHBondContact O-CA 3.34Å; P473-K530 WeakPolarHBondContact O-CG 3.18Å; P473-I531 PolarHBondContact O-N 3.47Å |
| 474 | F | 90.6 | Very high | 82 | Confident | 20 Ų | 20 | 52.1 Ų | 52.1 | 9% | 0.088 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -129.3 | 156.6 | 178.6 | -57.9 | -80.9 | 0 | 0 | 0 | 111.5 | A472 N476 S477 Y521 Q528 K530 | A472-F474 VanDerWaalsContact C-N 3.35Å; F474-N476 WeakPolarHBondContact CB-OD1 3.44Å; F474-N476 PolarHBondContact O-N 3.46Å; F474-N476 VanDerWaalsContact O-N 3.17Å; F474-S477 WeakPolarHBondContact CA-OG 3.34Å; F474-S477 WeakPolarHBondContact CB-OG 3.35Å; F474-S477 PolarHBondContact N-OG 3.32Å; F474-S477 WeakPolarHBondContact O-CB 3.1Å; F474-S477 PolarHBondContact O-N 3.31Å; F474-S477 VanDerWaalsContact O-N 3.08Å; F474-S477 PolarHBondContact O-OG 2.91Å; F474-Y521 AromaticContact CE1-CD1 3.71Å; F474-Y521 HydrophobicContact CE1-CD1 3.71Å; F474-Y521 HydrophobicContact CE1-CG 4.09Å; F474-Y521 AromaticContact CZ-CD1 3.47Å; F474-Y521 HydrophobicContact CZ-CD1 3.47Å; F474-Y521 VanDerWaalsContact CZ-CD1 3.47Å; F474-Y521 AromaticContact CZ-CE1 3.93Å; F474-Y521 HydrophobicContact CZ-CE1 3.93Å; F474-Y521 AromaticContact CZ-CG 3.87Å; F474-Y521 HydrophobicContact CZ-CG 3.87Å; F474-Q528 HydrophobicContact CD1-CB 4.48Å; F474-Q528 HydrophobicContact CE1-CB 4.17Å; F474-K530 HydrophobicContact CD1-CB 4.03Å; F474-K530 HydrophobicContact CD1-CG 4.08Å; F474-K530 HydrophobicContact CD2-CG 4.47Å; F474-K530 HydrophobicContact CE1-CB 3.52Å; F474-K530 HydrophobicContact CE1-CD 4.13Å; F474-K530 HydrophobicContact CE1-CG 3.61Å; F474-K530 HydrophobicContact CE2-CD 4.07Å; F474-K530 HydrophobicContact CE2-CG 4.02Å; F474-K530 HydrophobicContact CZ-CB 3.96Å; F474-K530 HydrophobicContact CZ-CD 3.62Å; F474-K530 HydrophobicContact CZ-CG 3.58Å |
| 475 | G | 87.4 | Confident | 82.6 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S377 G378 G381 R406 | S377-G475 PolarHBondContact N-O 2.86Å; G378-G475 CarbonylContact O-C 3.54Å; G378-G475 VanDerWaalsContact O-C 3.27Å; G381-G475 WeakPolarHBondContact O-CA 3.39Å; G381-G475 PolarHBondContact O-N 2.86Å; R406-G475 PolarHBondContact NH1-O 3.36Å |
| 476 | N | 86.3 | Confident | 83.9 | Confident | 41 Ų | 41 | 43.1 Ų | 43.1 | 22% | 0.219 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 14.7 | 176.4 | 65.1 | -29.6 | 0 | 0 | 0 | 114.1 | L376 G378 N379 G381 F474 Q478 | L376-N476 HydrophobicContact CD1-CB 4.04Å; G378-N476 VanDerWaalsContact O-CB 3.31Å; G378-N476 WeakPolarHBondContact O-CB 3.14Å; G378-N476 PolarHBondContact O-N 2.83Å; N379-N476 HydrophobicContact CB-CB 4.44Å; N379-N476 PolarHBondContact OD1-ND2 2.83Å; G381-N476 PolarHBondContact N-OD1 2.88Å; F474-N476 WeakPolarHBondContact CB-OD1 3.44Å; F474-N476 PolarHBondContact O-N 3.46Å; F474-N476 VanDerWaalsContact O-N 3.17Å; N476-Q478 PolarHBondContact O-N 2.77Å |
| 477 | S | 87.3 | Confident | 85 | Confident | 23 Ų | 23 | 43.2 Ų | 43.2 | 16% | 0.161 | 23% | 0.227 | C | C | . | . | trans | -64.4 | 137.1 | -179.8 | -43.6 | 0 | 0 | 0 | 0 | 110.9 | P473 F474 | P473-S477 VanDerWaalsContact CD-OG 3.3Å; P473-S477 WeakPolarHBondContact CD-OG 3.24Å; P473-S477 WeakPolarHBondContact CG-OG 3.23Å; F474-S477 WeakPolarHBondContact CA-OG 3.34Å; F474-S477 WeakPolarHBondContact CB-OG 3.35Å; F474-S477 PolarHBondContact N-OG 3.32Å; F474-S477 WeakPolarHBondContact O-CB 3.1Å; F474-S477 PolarHBondContact O-N 3.31Å; F474-S477 VanDerWaalsContact O-N 3.08Å; F474-S477 PolarHBondContact O-OG 2.91Å | ||
| 478 | Q | 82.3 | Confident | 85.4 | Confident | 111 Ų | 111 | 42.6 Ų | 42.6 | 52% | 0.519 | 22% | 0.224 | S | C | . | . | trans | -79.4 | 144.5 | 176.9 | -62.9 | -63.6 | -19.4 | 0 | 0 | 110.6 | N476 Q480 D481 W485 | N476-Q478 PolarHBondContact O-N 2.77Å; Q478-Q480 PolarHBondContact O-N 2.9Å; Q478-D481 PolarHBondContact O-N 2.97Å; Q478-W485 PolarHBondContact O-NE1 2.79Å | ||
| 479 | A | 80.6 | Confident | 85.4 | Confident | 18 Ų | 18 | 46.6 Ų | 46.6 | 15% | 0.149 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -23 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | G399 I400 D481 | G399-A479 CarbonylContact C-O 3.42Å; G399-A479 WeakPolarHBondContact CA-O 3.39Å; I400-A479 PolarHBondContact N-O 2.79Å; I400-A479 WeakPolarHBondContact O-CB 2.83Å; A479-D481 VanDerWaalsContact C-N 3.3Å; A479-D481 PolarHBondContact O-N 3.35Å |
| 480 | Q | 78.1 | Confident | 85.5 | Confident | 123 Ų | 123 | 48.6 Ų | 48.6 | 58% | 0.575 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -23.4 | -178.5 | -63.6 | 76.9 | 15 | 0 | 0 | 112.6 | Q478 V482 | Q478-Q480 PolarHBondContact O-N 2.9Å; Q480-V482 VanDerWaalsContact C-N 3.27Å; Q480-V482 PolarHBondContact O-N 2.8Å |
| 481 | D | 76.4 | Confident | 85.1 | Confident | 87 Ų | 87 | 49.7 Ų | 49.7 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | trans | -88.7 | 53.2 | -173.8 | -60.6 | -32.7 | 0 | 0 | 0 | 112.1 | Q478 A479 L483 D484 W485 | Q478-D481 PolarHBondContact O-N 2.97Å; A479-D481 VanDerWaalsContact C-N 3.3Å; A479-D481 PolarHBondContact O-N 3.35Å; D481-L483 PolarHBondContact O-N 2.87Å; D481-D484 PolarHBondContact O-N 3.44Å; D481-W485 VanDerWaalsContact O-CD1 3.25Å | ||
| 482 | V | 73.6 | Confident | 84.2 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 19% | 0.188 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -50.1 | -37.9 | -170.6 | -175.4 | 0 | 0 | 0 | 0 | 113.9 | G399 I400 Q480 D484 W485 | G399-V482 VanDerWaalsContact N-CG2 3.26Å; I400-V482 HydrophobicContact CD1-CG1 3.95Å; I400-V482 HydrophobicContact CG1-CG1 4.37Å; I400-V482 HydrophobicContact CG1-CG2 4.3Å; Q480-V482 VanDerWaalsContact C-N 3.27Å; Q480-V482 PolarHBondContact O-N 2.8Å; V482-D484 PolarHBondContact O-N 2.84Å; V482-W485 WeakPolarHBondContact O-CB 3.42Å; V482-W485 PolarHBondContact O-N 2.92Å |
| 483 | L | 73.8 | Confident | 83.2 | Confident | 160 Ų | 160 | 58.7 Ų | 58.7 | 84% | 0.838 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -64.3 | -21.4 | -177.2 | -64.4 | 177 | 0 | 0 | 0 | 113.3 | D481 | D481-L483 PolarHBondContact O-N 2.87Š|
| 484 | D | 78.3 | Confident | 81.9 | Confident | 83 Ų | 83 | 61.2 Ų | 61.2 | 44% | 0.444 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -88.1 | -11.3 | 178.3 | -73.1 | -9 | 0 | 0 | 0 | 112.5 | P473 D481 V482 | P473-D484 WeakPolarHBondContact CD-O 3.29Å; P473-D484 HydrophobicContact CG-CB 4.36Å; P473-D484 WeakPolarHBondContact CG-O 3.32Å; D481-D484 PolarHBondContact O-N 3.44Å; V482-D484 PolarHBondContact O-N 2.84Å |
| 485 | W | 87.4 | Confident | 80.2 | Confident | 12 Ų | 12 | 67.2 Ų | 67.2 | 5% | 0.045 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -75.9 | 144 | -177.6 | -75.5 | 62.5 | 0 | 0 | 0 | 113.1 | I400 Q402 Y470 V471 A472 Q478 D481 V482 P487 | I400-W485 HydrophobicContact CB-CD2 4.16Å; I400-W485 HydrophobicContact CB-CE3 4.27Å; I400-W485 HydrophobicContact CB-CH2 4.34Å; I400-W485 HydrophobicContact CB-CZ2 4.2Å; I400-W485 HydrophobicContact CB-CZ3 4.36Å; I400-W485 HydrophobicContact CD1-CB 4.45Å; I400-W485 HydrophobicContact CD1-CD2 4.42Å; I400-W485 HydrophobicContact CD1-CG 4.4Å; I400-W485 HydrophobicContact CG1-CB 4.27Å; I400-W485 HydrophobicContact CG1-CD2 3.55Å; I400-W485 HydrophobicContact CG1-CE3 3.89Å; I400-W485 HydrophobicContact CG1-CG 3.71Å; I400-W485 HydrophobicContact CG1-CZ2 4.43Å; I400-W485 HydrophobicContact CG1-CZ3 4.48Å; I400-W485 HydrophobicContact CG2-CD2 4.25Å; I400-W485 HydrophobicContact CG2-CE3 3.84Å; I400-W485 HydrophobicContact CG2-CH2 3.88Å; I400-W485 HydrophobicContact CG2-CZ2 4.25Å; I400-W485 HydrophobicContact CG2-CZ3 3.65Å; Q402-W485 VanDerWaalsContact CD-CH2 3.46Å; Q402-W485 HydrophobicContact CG-CH2 4.15Å; Q402-W485 VanDerWaalsContact NE2-CH2 3.33Å; Y470-W485 HydrophobicContact CD1-CB 3.92Å; Y470-W485 HydrophobicContact CG-CB 4.37Å; V471-W485 VanDerWaalsContact C-CE3 3.45Å; A472-W485 HydrophobicContact CB-CD2 4.3Å; A472-W485 HydrophobicContact CB-CE3 4.1Å; A472-W485 HydrophobicContact CB-CH2 3.65Å; A472-W485 HydrophobicContact CB-CZ2 3.91Å; A472-W485 HydrophobicContact CB-CZ3 3.77Å; Q478-W485 PolarHBondContact O-NE1 2.79Å; D481-W485 VanDerWaalsContact O-CD1 3.25Å; V482-W485 WeakPolarHBondContact O-CB 3.42Å; V482-W485 PolarHBondContact O-N 2.92Å; W485-P487 WeakPolarHBondContact O-CD 3.19Å |
| 486 | V | 90.5 | Very high | 78.4 | Confident | 14 Ų | 14 | 72.5 Ų | 72.5 | 9% | 0.085 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 116.1 | -175.9 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | Y470 V471 P473 I531 V534 | Y470-V486 CarbonylContact C-O 3.53Å; Y470-V486 VanDerWaalsContact CA-O 3.31Å; Y470-V486 WeakPolarHBondContact CA-O 3.43Å; V471-V486 PolarHBondContact N-O 2.85Å; V471-V486 PolarHBondContact O-N 2.95Å; P473-V486 HydrophobicContact CB-CG2 4.36Å; V486-I531 HydrophobicContact CG1-CG2 4.48Å; V486-I531 HydrophobicContact CG2-CG2 4.36Å; V486-I531 WeakPolarHBondContact CG2-O 3.38Å; V486-V534 HydrophobicContact CG1-CG2 4.45Å |
| 487 | P | 90.4 | Very high | 76.2 | Confident | 54 Ų | 54 | 82 Ų | 82 | 35% | 0.351 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 144.1 | 176 | 27.6 | -33.5 | 0 | 0 | 0 | 111 | Y470 W485 H489 | Y470-P487 HydrophobicContact CD1-CB 4.03Å; Y470-P487 HydrophobicContact CE1-CB 3.71Å; Y470-P487 HydrophobicContact CE1-CG 4.42Å; W485-P487 WeakPolarHBondContact O-CD 3.19Å; P487-H489 PolarHBondContact O-ND1 2.98Å |
| 488 | I | 90 | Very high | 73.9 | Confident | 8 Ų | 8 | 90.6 Ų | 90.6 | 4% | 0.041 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 120.2 | 172.2 | -54.8 | -175.7 | 0 | 0 | 0 | 109 | F410 F467 P468 D469 V471 F490 V534 A536 | F410-I488 HydrophobicContact CD2-CD1 4.45Å; F410-I488 HydrophobicContact CE2-CD1 3.7Å; F410-I488 HydrophobicContact CZ-CD1 4.14Å; F467-I488 HydrophobicContact CE1-CD1 3.93Å; F467-I488 HydrophobicContact CE1-CG2 4.22Å; P468-I488 HydrophobicContact CG-CD1 4.01Å; P468-I488 WeakPolarHBondContact O-CD1 3.36Å; D469-I488 PolarHBondContact O-N 3.37Å; V471-I488 HydrophobicContact CG2-CD1 3.67Å; V471-I488 HydrophobicContact CG2-CG1 3.83Å; I488-F490 HydrophobicContact CB-CE2 4.3Å; I488-F490 HydrophobicContact CB-CZ 4.13Å; I488-F490 HydrophobicContact CG2-CE1 4.11Å; I488-F490 HydrophobicContact CG2-CE2 4.47Å; I488-F490 HydrophobicContact CG2-CZ 4.07Å; I488-F490 VanDerWaalsContact O-CD2 3.29Å; I488-F490 WeakPolarHBondContact O-CD2 3.35Å; I488-F490 VanDerWaalsContact O-CE2 3.32Å; I488-F490 WeakPolarHBondContact O-CE2 3.31Å; I488-F490 PolarHBondContact O-N 2.64Å; I488-V534 HydrophobicContact CD1-CG1 4.49Å; I488-V534 HydrophobicContact CG1-CB 4.23Å; I488-V534 HydrophobicContact CG1-CG1 4.14Å; I488-V534 HydrophobicContact CG2-CG1 4.05Å; I488-A536 HydrophobicContact CG2-CB 3.82Å |
| 489 | H | 89.9 | Confident | 71.8 | Confident | 87 Ų | 87 | 94 Ų | 94 | 40% | 0.403 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 114.6 | 178.4 | -59.1 | 88.1 | 0 | 0 | 0 | 110.5 | P487 V534 T535 A536 | P487-H489 PolarHBondContact O-ND1 2.98Å; H489-V534 PolarHBondContact N-O 3.24Å; H489-V534 PolarHBondContact ND1-O 3.31Å; H489-T535 HydrophobicContact CB-CG2 4.29Å; H489-T535 CarbonylContact O-C 3.56Å; H489-T535 WeakPolarHBondContact O-CA 3.46Å; H489-A536 PolarHBondContact O-N 3.3Å |
| 490 | F | 85.7 | Confident | 69.7 | Low | 102 Ų | 102 | 97.7 Ų | 97.7 | 45% | 0.447 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 121.1 | -179.8 | -60.8 | -79.2 | 0 | 0 | 0 | 111.1 | W463 F467 I488 A536 | W463-F490 HydrophobicContact CE3-CE1 4.25Å; W463-F490 AromaticContact CH2-CD1 3.41Å; W463-F490 HydrophobicContact CH2-CD1 3.41Å; W463-F490 VanDerWaalsContact CH2-CD1 3.41Å; W463-F490 AromaticContact CH2-CE1 3.74Å; W463-F490 HydrophobicContact CH2-CE1 3.74Å; W463-F490 HydrophobicContact CZ2-CD1 4.17Å; W463-F490 AromaticContact CZ3-CD1 3.7Å; W463-F490 HydrophobicContact CZ3-CD1 3.7Å; W463-F490 AromaticContact CZ3-CE1 3.5Å; W463-F490 HydrophobicContact CZ3-CE1 3.5Å; W463-F490 VanDerWaalsContact CZ3-CE1 3.5Å; F467-F490 AromaticContact CD1-CE1 3.55Å; F467-F490 HydrophobicContact CD1-CE1 3.55Å; F467-F490 AromaticContact CD1-CZ 3.85Å; F467-F490 HydrophobicContact CD1-CZ 3.85Å; F467-F490 AromaticContact CE1-CE1 3.58Å; F467-F490 HydrophobicContact CE1-CE1 3.58Å; F467-F490 HydrophobicContact CE1-CZ 4.04Å; I488-F490 HydrophobicContact CB-CE2 4.3Å; I488-F490 HydrophobicContact CB-CZ 4.13Å; I488-F490 HydrophobicContact CG2-CE1 4.11Å; I488-F490 HydrophobicContact CG2-CE2 4.47Å; I488-F490 HydrophobicContact CG2-CZ 4.07Å; I488-F490 VanDerWaalsContact O-CD2 3.29Å; I488-F490 WeakPolarHBondContact O-CD2 3.35Å; I488-F490 VanDerWaalsContact O-CE2 3.32Å; I488-F490 WeakPolarHBondContact O-CE2 3.31Å; I488-F490 PolarHBondContact O-N 2.64Å; F490-A536 WeakPolarHBondContact CA-O 3.17Å; F490-A536 HydrophobicContact CD1-CB 4.12Å; F490-A536 HydrophobicContact CE1-CB 4.35Å |
| 491 | I | 83.4 | Confident | 68 | Low | 65 Ų | 65 | 98 Ų | 98 | 33% | 0.333 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.4 | -179.7 | -55 | 173.9 | 0 | 0 | 0 | 108.5 | Q493 A536 N537 L538 | I491-Q493 HydrophobicContact CG2-CG 4.18Å; I491-A536 PolarHBondContact N-O 3.35Å; I491-N537 HydrophobicContact CB-CB 4.4Å; I491-N537 CarbonylContact O-C 3.52Å; I491-N537 WeakPolarHBondContact O-CA 3.42Å; I491-N537 PolarHBondContact O-OD1 2.9Å; I491-L538 PolarHBondContact O-N 3.39Å |
| 492 | T | 74.5 | Confident | 66.3 | Low | 104 Ų | 104 | 101.3 Ų | 101.3 | 64% | 0.638 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 117.6 | 171.4 | 45.3 | 0 | 0 | 0 | 0 | 109.8 | L538 | T492-L538 HydrophobicContact CG2-CB 4.16Å; T492-L538 HydrophobicContact CG2-CD2 4.25Å |
| 493 | Q | 69.7 | Low | 65 | Low | 86 Ų | 86 | 108.4 Ų | 108.4 | 40% | 0.402 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 130.6 | 177.5 | -75.2 | -179.8 | -9.2 | 0 | 0 | 111.2 | I491 N537 L538 S540 | I491-Q493 HydrophobicContact CG2-CG 4.18Å; Q493-N537 WeakPolarHBondContact CG-OD1 3.28Å; Q493-N537 PolarHBondContact NE2-ND2 2.9Å; Q493-N537 PolarHBondContact OE1-ND2 2.83Å; Q493-L538 PolarHBondContact N-O 3.47Å; Q493-S540 PolarHBondContact O-N 2.83Å |
| 494 | S | 64.1 | Low | 63.9 | Low | 56 Ų | 56 | 108.1 Ų | 108.1 | 39% | 0.392 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 117.3 | 178.9 | -51.8 | 0 | 0 | 0 | 0 | 110.2 | N496 Q507 | S494-N496 PolarHBondContact O-N 3.14Å; S494-N496 VanDerWaalsContact O-N 3.17Å; S494-Q507 VanDerWaalsContact CB-OE1 3.3Å; S494-Q507 PolarHBondContact OG-OE1 3.24Å |
| 495 | F | 55.5 | Low | 63.1 | Low | 145 Ų | 145 | 107.5 Ų | 107.5 | 64% | 0.636 | 54% | 0.544 | S | S | * | . | trans | -82.3 | 92.7 | 175.4 | -80.7 | -83.9 | 0 | 0 | 0 | 110.9 | I539 S540 | F495-I539 HydrophobicContact CD2-CG2 4.17Å; F495-I539 HydrophobicContact CE2-CG2 4.13Å; F495-S540 PolarHBondContact N-O 2.96Å | ||
| 496 | N | 47.7 | Very low | 62.4 | Low | 113 Ų | 113 | 108.4 Ų | 108.4 | 60% | 0.604 | 55% | 0.553 | S | S | * | * | trans | -89.5 | 103.1 | 164.8 | -75.2 | -25.8 | 0 | 0 | 0 | 108.7 | S494 K498 | S494-N496 PolarHBondContact O-N 3.14Å; S494-N496 VanDerWaalsContact O-N 3.17Å; N496-K498 PolarHBondContact O-N 2.74Å; N496-K498 VanDerWaalsContact O-N 3.16Å | ||
| 497 | R | 41.8 | Very low | 62 | Low | 240 Ų | 240 | 111 Ų | 111 | 91% | 0.906 | 56% | 0.564 | S | S | * | * | trans | -61.9 | 118.4 | 167.3 | -154.3 | -173.2 | -67.9 | -171.5 | -0.2 | 106.2 | H499 | R497-H499 PolarHBondContact O-N 3.19Š| ||
| 498 | K | 39.1 | Very low | 61.6 | Low | 204 Ų | 204 | 108.7 Ų | 108.7 | 89% | 0.887 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -45.1 | 97.9 | 179.6 | -75.4 | 179.8 | 176.7 | 178.3 | 0 | 110.7 | N496 | N496-K498 PolarHBondContact O-N 2.74Å; N496-K498 VanDerWaalsContact O-N 3.16Å |
| 499 | H | 36.9 | Very low | 61.4 | Low | 183 Ų | 183 | 108.7 Ų | 108.7 | 85% | 0.847 | 55% | 0.549 | S | S | * | . | trans | -156.4 | 132.9 | 156.2 | -121.6 | -91.6 | 0 | 0 | 0 | 108.4 | R497 | R497-H499 PolarHBondContact O-N 3.19Š| ||
| 500 | S | 36.5 | Very low | 61.2 | Low | 94 Ų | 94 | 105.4 Ų | 105.4 | 66% | 0.657 | 54% | 0.538 | S | S | * | . | trans | -52.6 | 142.7 | -172.2 | 53.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 501 | V | 42.9 | Very low | 61.5 | Low | 131 Ų | 131 | 101.3 Ų | 101.3 | 79% | 0.794 | 52% | 0.523 | S | S | * | . | trans | 53.2 | 94.2 | 145.2 | -172.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 502 | L | 40.2 | Very low | 61.9 | Low | 155 Ų | 155 | 98.2 Ų | 98.2 | 81% | 0.812 | 51% | 0.508 | S | S | * | . | trans | -149.7 | 115.3 | 136.2 | -105.7 | 131.6 | 0 | 0 | 0 | 108 | ||||
| 503 | Q | 47.5 | Very low | 62.9 | Low | 180 Ų | 180 | 95.6 Ų | 95.6 | 84% | 0.841 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 137.1 | 161.6 | -85.6 | 161.7 | -55.4 | 0 | 0 | 108.2 | ||
| 504 | D | 49.2 | Very low | 64.1 | Low | 154 Ų | 154 | 91.5 Ų | 91.5 | 82% | 0.824 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 40.6 | 176.5 | -57.9 | -22.7 | 0 | 0 | 0 | 119.3 | ||
| 505 | S | 62.1 | Low | 65.6 | Low | 70 Ų | 70 | 91.8 Ų | 91.8 | 49% | 0.49 | 47% | 0.467 | S | S | . | . | trans | -86.7 | 107.6 | 159.5 | 61.2 | 0 | 0 | 0 | 0 | 111.3 | Q507 | S505-Q507 PolarHBondContact O-N 2.99Š| ||
| 506 | C | 73.6 | Confident | 67.6 | Low | 32 Ų | 32 | 84.9 Ų | 84.9 | 22% | 0.216 | 44% | 0.437 | C | S | . | . | trans | -66 | 133.9 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | C451 F543 | C451-C506 HydrophobicContact CB-CB 3.42Å; C451-C506 VanDerWaalsContact CB-CB 3.42Å; C451-C506 WeakPolarHBondContact CB-SG 3.38Å; C451-C506 WeakPolarHBondContact SG-CB 3.38Å; C451-C506 CovalentContact SG-SG 2Å; C451-C506 PolarHBondContact SG-SG 2.8Å; C506-F543 PolarHBondContact O-N 2.93Å | ||
| 507 | Q | 81.5 | Confident | 69.8 | Low | 69 Ų | 69 | 83 Ų | 83 | 32% | 0.322 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 125.4 | 177.3 | -67.6 | -178.2 | -2 | 0 | 0 | 110.6 | S494 S505 | S494-Q507 VanDerWaalsContact CB-OE1 3.3Å; S494-Q507 PolarHBondContact OG-OE1 3.24Å; S505-Q507 PolarHBondContact O-N 2.99Å |
| 508 | L | 82.8 | Confident | 72.2 | Confident | 5 Ų | 5 | 73.6 Ų | 73.6 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 122.7 | 177.5 | -171.4 | 78.6 | 0 | 0 | 0 | 110.2 | V454 A455 V458 G510 S540 S541 F543 I554 | V454-L508 HydrophobicContact CB-CD1 4.19Å; V454-L508 HydrophobicContact CG1-CD1 3.7Å; A455-L508 HydrophobicContact CB-CD1 4.03Å; V458-L508 HydrophobicContact CB-CD1 4.42Å; V458-L508 HydrophobicContact CG2-CD1 4.09Å; L508-G510 PolarHBondContact O-N 2.88Å; L508-S540 WeakPolarHBondContact O-CA 3.03Å; L508-S541 PolarHBondContact N-O 2.83Å; L508-S541 PolarHBondContact O-N 2.85Å; L508-F543 HydrophobicContact CB-CB 3.74Å; L508-F543 HydrophobicContact CB-CD2 4.1Å; L508-F543 HydrophobicContact CB-CG 4.12Å; L508-F543 HydrophobicContact CD2-CD2 3.62Å; L508-F543 HydrophobicContact CD2-CE2 3.92Å; L508-F543 HydrophobicContact CD2-CG 4.36Å; L508-F543 HydrophobicContact CG-CD2 4.4Å; L508-I554 HydrophobicContact CD2-CD1 3.68Å; L508-I554 HydrophobicContact CD2-CG1 4.11Å; L508-I554 HydrophobicContact CD2-CG2 3.78Å |
| 509 | P | 84.5 | Confident | 74.5 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 5% | 0.052 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 103.6 | 177 | 29.1 | -31.9 | 0 | 0 | 0 | 109.8 | V458 K459 L462 L538 I539 | V458-P509 HydrophobicContact CG1-CG 4.44Å; V458-P509 WeakPolarHBondContact CG1-O 3.39Å; K459-P509 HydrophobicContact CB-CG 4.29Å; L462-P509 HydrophobicContact CD1-CB 4.23Å; L462-P509 WeakPolarHBondContact CD1-O 3.24Å; P509-L538 HydrophobicContact CB-CD1 3.86Å; P509-L538 HydrophobicContact CB-CD2 3.69Å; P509-L538 HydrophobicContact CB-CG 3.67Å; P509-L538 HydrophobicContact CG-CD2 4.42Å; P509-I539 CarbonylContact C-O 3.46Å; P509-I539 WeakPolarHBondContact CA-O 3.12Å |
| 510 | G | 86.3 | Confident | 76.8 | Confident | 17 Ų | 17 | 59 Ų | 59 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -20.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | L508 I539 I556 S557 | L508-G510 PolarHBondContact O-N 2.88Å; G510-I539 PolarHBondContact N-O 3.16Å; G510-I556 WeakPolarHBondContact O-CA 3Å; G510-S557 PolarHBondContact O-N 3.34Å; G510-S557 VanDerWaalsContact O-N 3.08Å |
| 511 | A | 91.4 | Very high | 78.9 | Confident | 16 Ų | 16 | 55.2 Ų | 55.2 | 13% | 0.132 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 148.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | I539 S557 | A511-I539 HydrophobicContact CB-CB 4.31Å; A511-I539 PolarHBondContact N-O 3.42Å; A511-I539 PolarHBondContact O-N 3.21Å; A511-S557 CarbonylContact C-O 3.55Å; A511-S557 WeakPolarHBondContact CA-O 3.32Å |
| 512 | L | 92.7 | Very high | 80.3 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 116.8 | 169.5 | 174.8 | 64.3 | 0 | 0 | 0 | 109.1 | L462 W463 F467 I514 A536 N537 L538 S557 T558 A559 | L462-L512 HydrophobicContact CB-CB 4.27Å; L462-L512 HydrophobicContact CD2-CB 4Å; W463-L512 HydrophobicContact CD2-CD2 4.28Å; W463-L512 HydrophobicContact CE3-CD1 4.34Å; W463-L512 HydrophobicContact CE3-CD2 3.87Å; W463-L512 HydrophobicContact CH2-CD1 3.34Å; W463-L512 HydrophobicContact CH2-CD2 4.37Å; W463-L512 HydrophobicContact CZ2-CD1 3.72Å; W463-L512 HydrophobicContact CZ3-CD1 3.69Å; W463-L512 HydrophobicContact CZ3-CD2 3.91Å; W463-L512 HydrophobicContact CZ3-CG 4.46Å; F467-L512 HydrophobicContact CE2-CD2 4.32Å; L512-I514 HydrophobicContact CD1-CG1 4.48Å; L512-I514 HydrophobicContact CD2-CD1 4.22Å; L512-I514 HydrophobicContact CD2-CG1 4.42Å; L512-I514 HydrophobicContact CG-CD1 4.42Å; L512-I514 HydrophobicContact CG-CG1 4.1Å; L512-A536 HydrophobicContact CD1-CB 4.3Å; L512-N537 WeakPolarHBondContact CA-O 3.37Å; L512-L538 HydrophobicContact CB-CD1 4.41Å; L512-L538 HydrophobicContact CD1-CD1 4.41Å; L512-S557 PolarHBondContact N-O 2.87Å; L512-T558 HydrophobicContact CB-CG2 4.15Å; L512-T558 CarbonylContact O-C 3.53Å; L512-T558 WeakPolarHBondContact O-CA 3.42Å; L512-A559 PolarHBondContact O-N 3.29Å |
| 513 | V | 94.9 | Very high | 81.5 | Confident | 48 Ų | 48 | 42.3 Ų | 42.3 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.8 | 178.8 | -178.3 | 0 | 0 | 0 | 0 | 108.5 | N537 I539 | V513-N537 PolarHBondContact N-O 2.9Å; V513-N537 PolarHBondContact O-N 3.44Å; V513-I539 HydrophobicContact CG2-CD1 3.59Å; V513-I539 HydrophobicContact CG2-CG1 4.41Å |
| 514 | I | 95.3 | Very high | 82.5 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.4 | -180 | -56.6 | 173.7 | 0 | 0 | 0 | 108 | F410 I412 F467 L512 V516 V534 T535 A536 A559 V560 T561 | F410-I514 HydrophobicContact CE1-CG2 4.3Å; F410-I514 HydrophobicContact CZ-CD1 4.14Å; F410-I514 HydrophobicContact CZ-CG2 3.9Å; I412-I514 HydrophobicContact CG2-CD1 3.88Å; F467-I514 HydrophobicContact CE2-CD1 4.01Å; F467-I514 HydrophobicContact CZ-CD1 3.89Å; L512-I514 HydrophobicContact CD1-CG1 4.48Å; L512-I514 HydrophobicContact CD2-CD1 4.22Å; L512-I514 HydrophobicContact CD2-CG1 4.42Å; L512-I514 HydrophobicContact CG-CD1 4.42Å; L512-I514 HydrophobicContact CG-CG1 4.1Å; I514-V516 HydrophobicContact CG2-CG2 4.16Å; I514-V534 HydrophobicContact CG2-CG1 4.12Å; I514-T535 CarbonylContact C-O 3.54Å; I514-T535 VanDerWaalsContact CA-O 3.27Å; I514-T535 WeakPolarHBondContact CA-O 3.48Å; I514-A536 HydrophobicContact CG1-CB 4.35Å; I514-A559 PolarHBondContact N-O 3.11Å; I514-V560 HydrophobicContact CB-CG1 4.41Å; I514-V560 HydrophobicContact CB-CG2 4.19Å; I514-V560 HydrophobicContact CD1-CG2 4.3Å; I514-V560 HydrophobicContact CG2-CG1 4.39Å; I514-V560 CarbonylContact O-C 3.57Å; I514-V560 VanDerWaalsContact O-CA 3.25Å; I514-V560 WeakPolarHBondContact O-CA 3.5Å; I514-T561 PolarHBondContact O-N 3.47Å; I514-T561 PolarHBondContact O-OG1 3.3Å |
| 515 | E | 96 | Very high | 83.2 | Confident | 62 Ų | 62 | 33.5 Ų | 33.5 | 29% | 0.29 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.8 | 173.1 | -177 | -179.5 | 86.5 | 0 | 0 | 109.1 | K517 V534 T535 V563 | E515-K517 HydrophobicContact CG-CG 4.45Å; E515-K517 WeakPolarHBondContact OE1-CE 3.27Å; E515-K517 IonicContact OE1-NZ 2.79Å; E515-V534 WeakPolarHBondContact O-CA 3.46Å; E515-T535 PolarHBondContact N-O 2.79Å; E515-T535 PolarHBondContact O-N 2.68Å; E515-V563 HydrophobicContact CG-CG2 4Å |
| 516 | V | 96 | Very high | 83.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 109.3 | 178.3 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | L388 I514 I531 V534 V560 T561 F562 V563 | L388-V516 HydrophobicContact CD1-CG1 4.27Å; L388-V516 HydrophobicContact CD1-CG2 4.1Å; I514-V516 HydrophobicContact CG2-CG2 4.16Å; V516-I531 HydrophobicContact CG1-CD1 4.12Å; V516-I531 HydrophobicContact CG1-CG1 4.25Å; V516-I531 HydrophobicContact CG1-CG2 4.12Å; V516-V534 HydrophobicContact CG1-CG2 4.28Å; V516-V534 HydrophobicContact CG2-CG1 4.25Å; V516-V560 HydrophobicContact CG2-CG1 4.24Å; V516-T561 PolarHBondContact N-O 3.19Å; V516-F562 HydrophobicContact CB-CD1 3.77Å; V516-F562 HydrophobicContact CB-CE1 3.77Å; V516-F562 HydrophobicContact CB-CG 4.41Å; V516-F562 HydrophobicContact CB-CZ 4.4Å; V516-F562 HydrophobicContact CG1-CD1 3.79Å; V516-F562 HydrophobicContact CG1-CE1 3.6Å; V516-F562 HydrophobicContact CG2-CE1 4.18Å; V516-F562 HydrophobicContact CG2-CZ 4.37Å; V516-F562 WeakPolarHBondContact O-CA 3.25Å; V516-V563 PolarHBondContact O-N 3.39Å |
| 517 | K | 93.8 | Very high | 83.6 | Confident | 72 Ų | 72 | 32.7 Ų | 32.7 | 31% | 0.313 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 131.7 | 173.9 | -58.7 | -173.2 | -179.2 | -178.3 | 0 | 110 | E515 V532 N533 V563 V565 | E515-K517 HydrophobicContact CG-CG 4.45Å; E515-K517 WeakPolarHBondContact OE1-CE 3.27Å; E515-K517 IonicContact OE1-NZ 2.79Å; K517-V532 HydrophobicContact CB-CG2 4Å; K517-V532 WeakPolarHBondContact O-CG2 3.16Å; K517-V532 PolarHBondContact O-N 3.13Å; K517-N533 HydrophobicContact CB-CB 4.12Å; K517-N533 HydrophobicContact CD-CB 4.37Å; K517-N533 HydrophobicContact CG-CB 4.49Å; K517-N533 PolarHBondContact N-O 2.92Å; K517-N533 PolarHBondContact O-N 2.9Å; K517-V563 WeakPolarHBondContact CA-O 3.3Å; K517-V563 HydrophobicContact CG-CB 4.35Å; K517-V565 HydrophobicContact CB-CG1 4.22Å; K517-V565 HydrophobicContact CB-CG2 4.28Å; K517-V565 HydrophobicContact CD-CG1 4.16Å; K517-V565 HydrophobicContact CG-CG1 4.36Å |
| 518 | W | 92.9 | Very high | 83.7 | Confident | 43 Ų | 43 | 30.2 Ų | 30.2 | 16% | 0.163 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 158.8 | -179.3 | 70 | -82.4 | 0 | 0 | 0 | 111 | F433 K520 A529 K530 V563 D564 V565 | F433-W518 HydrophobicContact CE2-CB 4.2Å; F433-W518 HydrophobicContact CE2-CD2 4.13Å; F433-W518 AromaticContact CE2-CG 3.91Å; F433-W518 HydrophobicContact CE2-CG 3.91Å; F433-W518 AromaticContact CZ-CD2 3.81Å; F433-W518 HydrophobicContact CZ-CD2 3.81Å; F433-W518 AromaticContact CZ-CE3 3.99Å; F433-W518 HydrophobicContact CZ-CE3 3.99Å; F433-W518 HydrophobicContact CZ-CG 4.1Å; F433-W518 HydrophobicContact CZ-CZ3 4.49Å; W518-K520 HydrophobicContact CZ3-CG 3.97Å; W518-A529 HydrophobicContact CE3-CB 4.05Å; W518-A529 HydrophobicContact CZ3-CB 4.23Å; W518-K530 CarbonylContact C-O 3.58Å; W518-K530 WeakPolarHBondContact CA-O 3.33Å; W518-K530 WeakPolarHBondContact CB-O 3.49Å; W518-V563 VanDerWaalsContact CD1-O 3.29Å; W518-V563 PolarHBondContact N-O 3.3Å; W518-D564 HydrophobicContact CH2-CB 4.35Å; W518-D564 HydrophobicContact CZ2-CB 3.75Å; W518-D564 WeakPolarHBondContact O-CA 3.46Å; W518-V565 WeakPolarHBondContact O-CG2 3.41Å; W518-V565 PolarHBondContact O-N 2.97Å |
| 519 | T | 88.3 | Confident | 84 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 5% | 0.049 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 157.3 | -178.2 | -167.8 | 0 | 0 | 0 | 0 | 110.6 | K530 V532 S566 | T519-K530 HydrophobicContact CG2-CB 4.26Å; T519-K530 PolarHBondContact N-O 3.45Å; T519-K530 PolarHBondContact O-N 2.02Å; T519-V532 HydrophobicContact CG2-CG1 3.49Å; T519-V532 VanDerWaalsContact CG2-CG1 3.49Å; T519-S566 WeakPolarHBondContact OG1-CA 3.38Å |
| 520 | K | 84.4 | Confident | 84.3 | Confident | 74 Ų | 74 | 31.9 Ų | 31.9 | 32% | 0.322 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 125.5 | 170 | -66.1 | 173 | -172.7 | 170.2 | 0 | 109.3 | F164 W518 P527 S566 | F164-K520 WeakPolarHBondContact CB-O 3.34Å; F164-K520 HydrophobicContact CD1-CB 3.66Å; F164-K520 HydrophobicContact CD1-CD 4.5Å; F164-K520 HydrophobicContact CD2-CB 3.93Å; F164-K520 HydrophobicContact CE1-CB 3.64Å; F164-K520 HydrophobicContact CE1-CD 3.65Å; F164-K520 HydrophobicContact CE1-CG 4.28Å; F164-K520 HydrophobicContact CE2-CB 3.92Å; F164-K520 HydrophobicContact CE2-CD 4.41Å; F164-K520 HydrophobicContact CG-CB 3.81Å; F164-K520 WeakPolarHBondContact CG-O 3.21Å; F164-K520 HydrophobicContact CZ-CB 3.77Å; F164-K520 HydrophobicContact CZ-CD 3.6Å; F164-K520 HydrophobicContact CZ-CG 4.28Å; W518-K520 HydrophobicContact CZ3-CG 3.97Å; K520-P527 HydrophobicContact CB-CB 4.1Å; K520-P527 HydrophobicContact CD-CB 4.07Å; K520-P527 HydrophobicContact CG-CB 4.06Å; K520-S566 PolarHBondContact N-OG 2.81Å |
| 521 | Y | 80.1 | Confident | 84.6 | Confident | 14 Ų | 14 | 31.1 Ų | 31.1 | 6% | 0.055 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 146.2 | 179.7 | 175.2 | -100 | 0 | 0 | 0 | 111 | R67 P68 P70 N166 F474 Q528 | R67-Y521 WeakPolarHBondContact CD-OH 3.49Å; R67-Y521 PolarHBondContact NE-OH 3.4Å; P68-Y521 PolarHBondContact O-OH 2.95Å; P70-Y521 HydrophobicContact CG-CE1 4.43Å; N166-Y521 WeakPolarHBondContact OD1-CD2 3.31Å; N166-Y521 WeakPolarHBondContact OD1-CE2 3.47Å; F474-Y521 AromaticContact CE1-CD1 3.71Å; F474-Y521 HydrophobicContact CE1-CD1 3.71Å; F474-Y521 HydrophobicContact CE1-CG 4.09Å; F474-Y521 AromaticContact CZ-CD1 3.47Å; F474-Y521 HydrophobicContact CZ-CD1 3.47Å; F474-Y521 VanDerWaalsContact CZ-CD1 3.47Å; F474-Y521 AromaticContact CZ-CE1 3.93Å; F474-Y521 HydrophobicContact CZ-CE1 3.93Å; F474-Y521 AromaticContact CZ-CG 3.87Å; F474-Y521 HydrophobicContact CZ-CG 3.87Å; Y521-Q528 PolarHBondContact N-O 2.83Å; Y521-Q528 WeakPolarHBondContact O-CB 3.47Å; Y521-Q528 PolarHBondContact O-N 3.29Å |
| 522 | G | 72.1 | Confident | 84.6 | Confident | 3 Ų | 3 | 32.5 Ų | 32.5 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | S | Bend | trans | 92.7 | -150.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S163 F164 | S163-G522 CarbonylContact C-O 3.55Å; S163-G522 VanDerWaalsContact CA-O 3.29Å; S163-G522 WeakPolarHBondContact CA-O 3.48Å; S163-G522 WeakPolarHBondContact CB-O 3.41Å; F164-G522 WeakPolarHBondContact CD2-O 3.27Å; F164-G522 PolarHBondContact N-O 3.38Å |
| 523 | S | 66.4 | Low | 84.5 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 8% | 0.084 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -69 | 146.9 | -176.2 | -178.8 | 0 | 0 | 0 | 0 | 111.8 | L162 L525 N526 | L162-S523 CarbonylContact O-C 3.56Å; L162-S523 WeakPolarHBondContact O-CA 3.44Å; L162-S523 PolarHBondContact O-OG 3.26Å; S523-L525 PolarHBondContact O-N 3.08Å; S523-L525 VanDerWaalsContact O-N 3.17Å; S523-L525 WeakPolarHBondContact OG-CB 3.49Å; S523-L525 VanDerWaalsContact OG-CG 3.29Å; S523-L525 WeakPolarHBondContact OG-CG 3.16Å; S523-L525 PolarHBondContact OG-N 3.46Å; S523-N526 CarbonylContact O-C 3.57Å; S523-N526 PolarHBondContact O-N 2.93Å; S523-N526 VanDerWaalsContact O-N 3.08Å |
| 524 | L | 67.6 | Low | 84.4 | Confident | 81 Ų | 81 | 32.2 Ų | 32.2 | 42% | 0.424 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.7 | 169.1 | -165.7 | 69.3 | 0 | 0 | 0 | 111.4 | L162 F164 N526 | L162-L524 PolarHBondContact O-N 3.17Å; F164-L524 HydrophobicContact CE1-CD1 4.11Å; F164-L524 HydrophobicContact CE2-CD1 3.92Å; F164-L524 HydrophobicContact CZ-CD1 3.59Å; L524-N526 VanDerWaalsContact C-N 3.34Å |
| 525 | L | 64.1 | Low | 84.3 | Confident | 68 Ų | 68 | 33.5 Ų | 33.5 | 36% | 0.356 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -27.3 | -180 | -48.3 | -173.5 | 0 | 0 | 0 | 113 | D116 S523 | D116-L525 HydrophobicContact CB-CD1 4.12Å; D116-L525 HydrophobicContact CB-CD2 3.17Å; D116-L525 HydrophobicContact CB-CG 4.25Å; D116-L525 WeakPolarHBondContact OD2-CD2 3.4Å; S523-L525 PolarHBondContact O-N 3.08Å; S523-L525 VanDerWaalsContact O-N 3.17Å; S523-L525 WeakPolarHBondContact OG-CB 3.49Å; S523-L525 VanDerWaalsContact OG-CG 3.29Å; S523-L525 WeakPolarHBondContact OG-CG 3.16Å; S523-L525 PolarHBondContact OG-N 3.46Å |
| 526 | N | 67.6 | Low | 84.1 | Confident | 25 Ų | 25 | 30.6 Ų | 30.6 | 13% | 0.134 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -143.9 | 69.7 | -177.1 | -173 | 34.5 | 0 | 0 | 0 | 109.3 | L77 S523 L524 Q528 | L77-N526 HydrophobicContact CD1-CB 3.95Å; L77-N526 WeakPolarHBondContact CD2-ND2 3.12Å; S523-N526 CarbonylContact O-C 3.57Å; S523-N526 PolarHBondContact O-N 2.93Å; S523-N526 VanDerWaalsContact O-N 3.08Å; L524-N526 VanDerWaalsContact C-N 3.34Å; N526-Q528 PolarHBondContact ND2-NE2 3.01Å; N526-Q528 PolarHBondContact O-N 3.14Å; N526-Q528 PolarHBondContact O-NE2 3.42Å; N526-Q528 PolarHBondContact OD1-NE2 3.42Å |
| 527 | P | 76.9 | Confident | 83.9 | Confident | 59 Ų | 59 | 31.6 Ų | 31.6 | 38% | 0.383 | 16% | 0.164 | S | C | . | . | P | Polyproline II helix | trans | -60.7 | 117.4 | 177.7 | 20.3 | -29.4 | 0 | 0 | 0 | 110.4 | F164 K520 | F164-P527 HydrophobicContact CD2-CB 4.37Å; F164-P527 HydrophobicContact CE2-CB 3.52Å; F164-P527 HydrophobicContact CE2-CG 4.4Å; F164-P527 HydrophobicContact CZ-CB 3.95Å; K520-P527 HydrophobicContact CB-CB 4.1Å; K520-P527 HydrophobicContact CD-CB 4.07Å; K520-P527 HydrophobicContact CG-CB 4.06Å |
| 528 | Q | 83.4 | Confident | 83.7 | Confident | 17 Ų | 17 | 28.5 Ų | 28.5 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.1 | 175.3 | -55.3 | -52.3 | -73.5 | 0 | 0 | 109.4 | P380 F474 Y521 N526 K530 | P380-Q528 HydrophobicContact CB-CG 4.15Å; P380-Q528 HydrophobicContact CG-CG 4.22Å; P380-Q528 PolarHBondContact O-OE1 2.88Å; F474-Q528 HydrophobicContact CD1-CB 4.48Å; F474-Q528 HydrophobicContact CE1-CB 4.17Å; Y521-Q528 PolarHBondContact N-O 2.83Å; Y521-Q528 WeakPolarHBondContact O-CB 3.47Å; Y521-Q528 PolarHBondContact O-N 3.29Å; N526-Q528 PolarHBondContact ND2-NE2 3.01Å; N526-Q528 PolarHBondContact O-N 3.14Å; N526-Q528 PolarHBondContact O-NE2 3.42Å; N526-Q528 PolarHBondContact OD1-NE2 3.42Å; Q528-K530 PolarHBondContact O-N 2.93Å |
| 529 | A | 89.9 | Confident | 83.5 | Confident | 12 Ų | 12 | 28.8 Ų | 28.8 | 10% | 0.099 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 118 | 173 | 0 | 0 | 0 | 0 | 0 | 110 | G381 Y382 F433 W518 | G381-A529 WeakPolarHBondContact CA-O 3.46Å; Y382-A529 PolarHBondContact N-O 2.67Å; F433-A529 HydrophobicContact CE1-CB 3.68Å; F433-A529 HydrophobicContact CE2-CB 4.37Å; F433-A529 HydrophobicContact CZ-CB 3.47Å; F433-A529 VanDerWaalsContact CZ-CB 3.47Å; W518-A529 HydrophobicContact CE3-CB 4.05Å; W518-A529 HydrophobicContact CZ3-CB 4.23Å |
| 530 | K | 90.6 | Very high | 83.3 | Confident | 37 Ų | 37 | 29 Ų | 29 | 16% | 0.161 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.2 | 177.5 | -169.2 | -167.7 | 179 | -169.8 | 0 | 110.6 | R67 P473 F474 W518 T519 Q528 V532 | R67-K530 VanDerWaalsContact NH2-CD 3.3Å; P473-K530 HydrophobicContact CB-CG 4.13Å; P473-K530 CarbonylContact O-C 3.52Å; P473-K530 VanDerWaalsContact O-CA 3.24Å; P473-K530 WeakPolarHBondContact O-CA 3.34Å; P473-K530 WeakPolarHBondContact O-CG 3.18Å; F474-K530 HydrophobicContact CD1-CB 4.03Å; F474-K530 HydrophobicContact CD1-CG 4.08Å; F474-K530 HydrophobicContact CD2-CG 4.47Å; F474-K530 HydrophobicContact CE1-CB 3.52Å; F474-K530 HydrophobicContact CE1-CD 4.13Å; F474-K530 HydrophobicContact CE1-CG 3.61Å; F474-K530 HydrophobicContact CE2-CD 4.07Å; F474-K530 HydrophobicContact CE2-CG 4.02Å; F474-K530 HydrophobicContact CZ-CB 3.96Å; F474-K530 HydrophobicContact CZ-CD 3.62Å; F474-K530 HydrophobicContact CZ-CG 3.58Å; W518-K530 CarbonylContact C-O 3.58Å; W518-K530 WeakPolarHBondContact CA-O 3.33Å; W518-K530 WeakPolarHBondContact CB-O 3.49Å; T519-K530 HydrophobicContact CG2-CB 4.26Å; T519-K530 PolarHBondContact N-O 3.45Å; T519-K530 PolarHBondContact O-N 2.02Å; Q528-K530 PolarHBondContact O-N 2.93Å; K530-V532 HydrophobicContact CD-CG1 4.47Å |
| 531 | I | 92.6 | Very high | 83.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 134.8 | 169.2 | -61.9 | 178.2 | 0 | 0 | 0 | 109 | Y382 L388 V471 P473 V486 V516 V534 | Y382-I531 HydrophobicContact CD2-CD1 3.94Å; Y382-I531 HydrophobicContact CD2-CG1 4Å; Y382-I531 HydrophobicContact CE2-CD1 3.4Å; Y382-I531 HydrophobicContact CE2-CG1 3.77Å; L388-I531 HydrophobicContact CD1-CD1 4.14Å; L388-I531 HydrophobicContact CD2-CD1 3.5Å; L388-I531 HydrophobicContact CG-CD1 4.42Å; V471-I531 HydrophobicContact CG1-CD1 3.6Å; V471-I531 HydrophobicContact CG1-CG2 4.33Å; P473-I531 PolarHBondContact O-N 3.47Å; V486-I531 HydrophobicContact CG1-CG2 4.48Å; V486-I531 HydrophobicContact CG2-CG2 4.36Å; V486-I531 WeakPolarHBondContact CG2-O 3.38Å; V516-I531 HydrophobicContact CG1-CD1 4.12Å; V516-I531 HydrophobicContact CG1-CG1 4.25Å; V516-I531 HydrophobicContact CG1-CG2 4.12Å; I531-V534 HydrophobicContact CG2-CG2 3.73Å |
| 532 | V | 90.1 | Very high | 83 | Confident | 46 Ų | 46 | 31.3 Ų | 31.3 | 28% | 0.279 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | -27.9 | -177.1 | -66.1 | 0 | 0 | 0 | 0 | 113.2 | K517 T519 K530 V565 | K517-V532 HydrophobicContact CB-CG2 4Å; K517-V532 WeakPolarHBondContact O-CG2 3.16Å; K517-V532 PolarHBondContact O-N 3.13Å; T519-V532 HydrophobicContact CG2-CG1 3.49Å; T519-V532 VanDerWaalsContact CG2-CG1 3.49Å; K530-V532 HydrophobicContact CD-CG1 4.47Å; V532-V565 HydrophobicContact CG2-CG2 3.62Å |
| 533 | N | 91.5 | Very high | 82.9 | Confident | 43 Ų | 43 | 32 Ų | 32 | 23% | 0.23 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 140.8 | 177.4 | -164.3 | -54.8 | 0 | 0 | 0 | 110 | K517 T535 | K517-N533 HydrophobicContact CB-CB 4.12Å; K517-N533 HydrophobicContact CD-CB 4.37Å; K517-N533 HydrophobicContact CG-CB 4.49Å; K517-N533 PolarHBondContact N-O 2.92Å; K517-N533 PolarHBondContact O-N 2.9Å; N533-T535 WeakPolarHBondContact OD1-CG2 3.23Å |
| 534 | V | 93.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.1 | 170.6 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | F410 V471 V486 I488 H489 I514 E515 V516 I531 | F410-V534 HydrophobicContact CZ-CG1 4.3Å; V471-V534 HydrophobicContact CB-CG2 4.1Å; V471-V534 HydrophobicContact CG1-CG2 4.45Å; V471-V534 HydrophobicContact CG2-CG2 3.99Å; V486-V534 HydrophobicContact CG1-CG2 4.45Å; I488-V534 HydrophobicContact CD1-CG1 4.49Å; I488-V534 HydrophobicContact CG1-CB 4.23Å; I488-V534 HydrophobicContact CG1-CG1 4.14Å; I488-V534 HydrophobicContact CG2-CG1 4.05Å; H489-V534 PolarHBondContact N-O 3.24Å; H489-V534 PolarHBondContact ND1-O 3.31Å; I514-V534 HydrophobicContact CG2-CG1 4.12Å; E515-V534 WeakPolarHBondContact O-CA 3.46Å; V516-V534 HydrophobicContact CG1-CG2 4.28Å; V516-V534 HydrophobicContact CG2-CG1 4.25Å; I531-V534 HydrophobicContact CG2-CG2 3.73Å |
| 535 | T | 93.1 | Very high | 82.2 | Confident | 28 Ų | 28 | 38.4 Ų | 38.4 | 17% | 0.172 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 138.9 | 172.6 | 67.5 | 0 | 0 | 0 | 0 | 109.7 | H489 I514 E515 N533 | H489-T535 HydrophobicContact CB-CG2 4.29Å; H489-T535 CarbonylContact O-C 3.56Å; H489-T535 WeakPolarHBondContact O-CA 3.46Å; I514-T535 CarbonylContact C-O 3.54Å; I514-T535 VanDerWaalsContact CA-O 3.27Å; I514-T535 WeakPolarHBondContact CA-O 3.48Å; E515-T535 PolarHBondContact N-O 2.79Å; E515-T535 PolarHBondContact O-N 2.68Å; N533-T535 WeakPolarHBondContact OD1-CG2 3.23Å |
| 536 | A | 92.3 | Very high | 81.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 103.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | W463 F467 I488 H489 F490 I491 L512 I514 | W463-A536 HydrophobicContact CH2-CB 3.71Å; W463-A536 HydrophobicContact CZ3-CB 3.84Å; F467-A536 HydrophobicContact CE1-CB 4.37Å; F467-A536 HydrophobicContact CZ-CB 4.35Å; I488-A536 HydrophobicContact CG2-CB 3.82Å; H489-A536 PolarHBondContact O-N 3.3Å; F490-A536 WeakPolarHBondContact CA-O 3.17Å; F490-A536 HydrophobicContact CD1-CB 4.12Å; F490-A536 HydrophobicContact CE1-CB 4.35Å; I491-A536 PolarHBondContact N-O 3.35Å; L512-A536 HydrophobicContact CD1-CB 4.3Å; I514-A536 HydrophobicContact CG1-CB 4.35Å |
| 537 | N | 91.2 | Very high | 80.7 | Confident | 22 Ų | 22 | 42 Ų | 42 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 116.8 | -172.8 | -175.6 | 18.7 | 0 | 0 | 0 | 111.4 | I491 Q493 L512 V513 | I491-N537 HydrophobicContact CB-CB 4.4Å; I491-N537 CarbonylContact O-C 3.52Å; I491-N537 WeakPolarHBondContact O-CA 3.42Å; I491-N537 PolarHBondContact O-OD1 2.9Å; Q493-N537 WeakPolarHBondContact CG-OD1 3.28Å; Q493-N537 PolarHBondContact NE2-ND2 2.9Å; Q493-N537 PolarHBondContact OE1-ND2 2.83Å; L512-N537 WeakPolarHBondContact CA-O 3.37Å; V513-N537 PolarHBondContact N-O 2.9Å; V513-N537 PolarHBondContact O-N 3.44Å |
| 538 | L | 89.3 | Confident | 79.4 | Confident | 7 Ų | 7 | 44.1 Ų | 44.1 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 110.8 | 177.4 | -167.5 | 72 | 0 | 0 | 0 | 109.8 | L462 W463 I491 T492 Q493 P509 L512 | L462-L538 HydrophobicContact CD1-CD1 3.62Å; W463-L538 HydrophobicContact CZ2-CB 4.24Å; W463-L538 HydrophobicContact CZ2-CD1 4.28Å; I491-L538 PolarHBondContact O-N 3.39Å; T492-L538 HydrophobicContact CG2-CB 4.16Å; T492-L538 HydrophobicContact CG2-CD2 4.25Å; Q493-L538 PolarHBondContact N-O 3.47Å; P509-L538 HydrophobicContact CB-CD1 3.86Å; P509-L538 HydrophobicContact CB-CD2 3.69Å; P509-L538 HydrophobicContact CB-CG 3.67Å; P509-L538 HydrophobicContact CG-CD2 4.42Å; L512-L538 HydrophobicContact CB-CD1 4.41Å; L512-L538 HydrophobicContact CD1-CD1 4.41Å |
| 539 | I | 88.1 | Confident | 77.9 | Confident | 48 Ų | 48 | 46.4 Ų | 46.4 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.3 | -177.7 | -56.4 | 177 | 0 | 0 | 0 | 109.2 | F495 P509 G510 A511 V513 | F495-I539 HydrophobicContact CD2-CG2 4.17Å; F495-I539 HydrophobicContact CE2-CG2 4.13Å; P509-I539 CarbonylContact C-O 3.46Å; P509-I539 WeakPolarHBondContact CA-O 3.12Å; G510-I539 PolarHBondContact N-O 3.16Å; A511-I539 HydrophobicContact CB-CB 4.31Å; A511-I539 PolarHBondContact N-O 3.42Å; A511-I539 PolarHBondContact O-N 3.21Å; V513-I539 HydrophobicContact CG2-CD1 3.59Å; V513-I539 HydrophobicContact CG2-CG1 4.41Å |
| 540 | S | 85.7 | Confident | 76.4 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143.1 | -179.8 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | Q493 F495 L508 | Q493-S540 PolarHBondContact O-N 2.83Å; F495-S540 PolarHBondContact N-O 2.96Å; L508-S540 WeakPolarHBondContact O-CA 3.03Å |
| 541 | S | 80.1 | Confident | 75.2 | Confident | 64 Ų | 64 | 57.6 Ų | 57.6 | 45% | 0.448 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 151.6 | 176.7 | 62.6 | 0 | 0 | 0 | 0 | 110.8 | L508 F543 | L508-S541 PolarHBondContact N-O 2.83Å; L508-S541 PolarHBondContact O-N 2.85Å; S541-F543 PolarHBondContact O-N 3.34Å |
| 542 | S | 76.4 | Confident | 74.4 | Confident | 73 Ų | 73 | 62.3 Ų | 62.3 | 51% | 0.51 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 124.4 | 174.6 | 57.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 543 | F | 70.4 | Confident | 73.9 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | trans | -106.1 | 109.1 | 178 | -171.4 | -99.2 | 0 | 0 | 0 | 109.4 | L445 C451 C506 L508 S541 E545 I554 | L445-F543 HydrophobicContact CD1-CZ 4.2Å; C451-F543 HydrophobicContact CB-CD1 4.07Å; C451-F543 VanDerWaalsContact SG-CD1 3.54Å; C506-F543 PolarHBondContact O-N 2.93Å; L508-F543 HydrophobicContact CB-CB 3.74Å; L508-F543 HydrophobicContact CB-CD2 4.1Å; L508-F543 HydrophobicContact CB-CG 4.12Å; L508-F543 HydrophobicContact CD2-CD2 3.62Å; L508-F543 HydrophobicContact CD2-CE2 3.92Å; L508-F543 HydrophobicContact CD2-CG 4.36Å; L508-F543 HydrophobicContact CG-CD2 4.4Å; S541-F543 PolarHBondContact O-N 3.34Å; F543-E545 PolarHBondContact O-N 3.18Å; F543-I554 HydrophobicContact CE2-CD1 3.91Å; F543-I554 HydrophobicContact CE2-CG1 4.13Å; F543-I554 HydrophobicContact CZ-CD1 4.29Å | ||
| 544 | P | 62.8 | Low | 73.5 | Confident | 75 Ų | 75 | 62.3 Ų | 62.3 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | trans | -69.2 | 130.6 | 178.4 | 24.7 | -28.7 | 0 | 0 | 0 | 109.5 | A546 R552 | P544-A546 PolarHBondContact O-N 3.43Å; P544-R552 PolarHBondContact O-NH1 2.95Å | ||
| 545 | E | 56.6 | Low | 73.2 | Confident | 153 Ų | 153 | 68.3 Ų | 68.3 | 72% | 0.715 | 41% | 0.406 | S | S | * | . | trans | -56.7 | 131.6 | 174.4 | -77.6 | -173.6 | 144.4 | 0 | 0 | 110.1 | F543 S547 | F543-E545 PolarHBondContact O-N 3.18Å; E545-S547 PolarHBondContact O-N 3.05Å | ||
| 546 | A | 53.8 | Low | 73 | Confident | 57 Ų | 57 | 67.1 Ų | 67.1 | 47% | 0.471 | 40% | 0.398 | S | S | . | . | trans | -75.1 | 112.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P544 S548 | P544-A546 PolarHBondContact O-N 3.43Å; A546-S548 PolarHBondContact O-N 3.4Å | ||
| 547 | S | 47.5 | Very low | 73 | Confident | 112 Ų | 112 | 69 Ų | 69 | 78% | 0.783 | 41% | 0.411 | S | S | * | . | trans | -72.8 | 109.8 | 160.1 | 50.9 | 0 | 0 | 0 | 0 | 109.1 | E545 | E545-S547 PolarHBondContact O-N 3.05Š| ||
| 548 | S | 48.7 | Very low | 73.1 | Confident | 102 Ų | 102 | 67.9 Ų | 67.9 | 71% | 0.713 | 41% | 0.406 | S | S | * | . | S | Bend | trans | 56.9 | 114 | 161.8 | -173.4 | 0 | 0 | 0 | 0 | 118.7 | A546 N550 | A546-S548 PolarHBondContact O-N 3.4Å; S548-N550 VanDerWaalsContact C-N 3.32Å; S548-N550 PolarHBondContact O-N 2.87Å |
| 549 | G | 52.1 | Low | 73.4 | Confident | 66 Ų | 66 | 68.6 Ų | 68.6 | 68% | 0.68 | 41% | 0.413 | S | S | * | . | S | Bend | trans | 73.3 | -17.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||
| 550 | N | 58.8 | Low | 73.8 | Confident | 137 Ų | 137 | 66.3 Ų | 66.3 | 73% | 0.733 | 40% | 0.401 | S | S | * | . | trans | -88 | 131.8 | -174 | -68.5 | -16.9 | 0 | 0 | 0 | 112.7 | S548 R552 | S548-N550 VanDerWaalsContact C-N 3.32Å; S548-N550 PolarHBondContact O-N 2.87Å; N550-R552 PolarHBondContact O-N 2.84Å | ||
| 551 | E | 65.6 | Low | 74.3 | Confident | 146 Ų | 146 | 68 Ų | 68 | 68% | 0.682 | 41% | 0.41 | S | S | * | . | trans | -58.5 | 130.9 | 167.6 | -73.7 | -171.9 | 162.5 | 0 | 0 | 110.1 | L445 | L445-E551 WeakPolarHBondContact O-CA 3.3Š| ||
| 552 | R | 74.7 | Confident | 75 | Confident | 99 Ų | 99 | 66.2 Ų | 66.2 | 37% | 0.374 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 137.4 | 178.2 | -166.3 | 170.5 | -175.9 | 178.8 | 1.2 | 110.4 | L445 P544 N550 | L445-R552 PolarHBondContact N-O 3.18Å; L445-R552 PolarHBondContact O-N 3.39Å; P544-R552 PolarHBondContact O-NH1 2.95Å; N550-R552 PolarHBondContact O-N 2.84Å |
| 553 | T | 79.6 | Confident | 75.8 | Confident | 75 Ų | 75 | 65.2 Ų | 65.2 | 46% | 0.46 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 130 | 175 | -57.5 | 0 | 0 | 0 | 0 | 109.8 | K442 L443 | K442-T553 HydrophobicContact CB-CG2 3.72Å; K442-T553 HydrophobicContact CD-CG2 4.49Å; K442-T553 HydrophobicContact CG-CG2 4.04Å; L443-T553 WeakPolarHBondContact O-CA 3.47Å |
| 554 | I | 83.1 | Confident | 76.7 | Confident | 15 Ų | 15 | 67.9 Ų | 67.9 | 8% | 0.077 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 134.6 | 175 | -63.8 | 159.2 | 0 | 0 | 0 | 108.4 | K442 L443 L445 V454 L508 F543 I556 | K442-I554 WeakPolarHBondContact CA-O 3.5Å; L443-I554 HydrophobicContact CB-CB 4.47Å; L443-I554 PolarHBondContact N-O 2.85Å; L443-I554 PolarHBondContact O-N 2.91Å; L445-I554 HydrophobicContact CD1-CD1 3.42Å; L445-I554 VanDerWaalsContact CD1-CD1 3.42Å; L445-I554 HydrophobicContact CD1-CG1 4.36Å; L445-I554 HydrophobicContact CD2-CD1 4.44Å; L445-I554 HydrophobicContact CG-CD1 3.96Å; V454-I554 HydrophobicContact CG1-CD1 3.8Å; L508-I554 HydrophobicContact CD2-CD1 3.68Å; L508-I554 HydrophobicContact CD2-CG1 4.11Å; L508-I554 HydrophobicContact CD2-CG2 3.78Å; F543-I554 HydrophobicContact CE2-CD1 3.91Å; F543-I554 HydrophobicContact CE2-CG1 4.13Å; F543-I554 HydrophobicContact CZ-CD1 4.29Å; I554-I556 HydrophobicContact CG2-CG1 4.05Å |
| 555 | L | 86.8 | Confident | 77.8 | Confident | 126 Ų | 126 | 67.3 Ų | 67.3 | 66% | 0.66 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.4 | 170.4 | -65 | 171.6 | 0 | 0 | 0 | 109.3 | K442 | K442-L555 HydrophobicContact CG-CD2 3.68Å |
| 556 | I | 90.1 | Very high | 79 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 131.8 | 178.2 | -56.6 | 172.4 | 0 | 0 | 0 | 106.9 | L413 G440 C441 L443 V458 L461 L462 G510 I554 | L413-I556 HydrophobicContact CD2-CG2 4.37Å; G440-I556 CarbonylContact C-O 3.14Å; G440-I556 WeakPolarHBondContact CA-O 3.37Å; C441-I556 PolarHBondContact N-O 2.66Å; C441-I556 PolarHBondContact O-N 3.17Å; L443-I556 HydrophobicContact CB-CD1 3.71Å; L443-I556 HydrophobicContact CD2-CD1 3.96Å; L443-I556 HydrophobicContact CG-CD1 4.45Å; V458-I556 HydrophobicContact CB-CD1 4.3Å; V458-I556 HydrophobicContact CG1-CD1 3.76Å; V458-I556 HydrophobicContact CG1-CG1 3.9Å; V458-I556 HydrophobicContact CG1-CG2 4.22Å; V458-I556 HydrophobicContact CG2-CD1 3.86Å; L461-I556 HydrophobicContact CD1-CD1 3.81Å; L462-I556 HydrophobicContact CD1-CG2 4.45Å; L462-I556 HydrophobicContact CD2-CG2 3.36Å; L462-I556 HydrophobicContact CG-CG2 3.73Å; G510-I556 WeakPolarHBondContact O-CA 3Å; I554-I556 HydrophobicContact CG2-CG1 4.05Å |
| 557 | S | 92.4 | Very high | 79.9 | Confident | 39 Ų | 39 | 61.3 Ų | 61.3 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 152.5 | -179.1 | 62.1 | 0 | 0 | 0 | 0 | 113.6 | S439 L462 G510 A511 L512 | S439-S557 CarbonylContact O-C 3.58Å; S439-S557 VanDerWaalsContact O-CA 3.27Å; S439-S557 WeakPolarHBondContact O-CA 3.26Å; S439-S557 WeakPolarHBondContact O-CB 3.25Å; L462-S557 VanDerWaalsContact CD2-O 3.23Å; L462-S557 WeakPolarHBondContact CD2-O 3.33Å; G510-S557 PolarHBondContact O-N 3.34Å; G510-S557 VanDerWaalsContact O-N 3.08Å; A511-S557 CarbonylContact C-O 3.55Å; A511-S557 WeakPolarHBondContact CA-O 3.32Å; L512-S557 PolarHBondContact N-O 2.87Å |
| 558 | T | 93.4 | Very high | 80.9 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 134.2 | 173.3 | 57.8 | 0 | 0 | 0 | 0 | 108.8 | I412 L413 Q438 S439 L462 L512 | I412-T558 HydrophobicContact CB-CG2 4.5Å; L413-T558 HydrophobicContact CB-CG2 3.56Å; L413-T558 WeakPolarHBondContact CB-OG1 3.37Å; L413-T558 PolarHBondContact N-OG1 2.88Å; Q438-T558 WeakPolarHBondContact CA-O 3.47Å; S439-T558 PolarHBondContact N-O 2.98Å; S439-T558 PolarHBondContact O-N 3.29Å; L462-T558 HydrophobicContact CD2-CG2 3.71Å; L512-T558 HydrophobicContact CB-CG2 4.15Å; L512-T558 CarbonylContact O-C 3.53Å; L512-T558 WeakPolarHBondContact O-CA 3.42Å |
| 559 | A | 95.6 | Very high | 81.6 | Confident | 22 Ų | 22 | 61.4 Ų | 61.4 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.9 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | M437 Q438 L512 I514 | M437-A559 CarbonylContact O-C 3.49Å; M437-A559 WeakPolarHBondContact O-CA 3.36Å; Q438-A559 HydrophobicContact CG-CB 4.39Å; L512-A559 PolarHBondContact O-N 3.29Å; I514-A559 PolarHBondContact N-O 3.11Å |
| 560 | V | 96.7 | Very high | 82 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 127.3 | 174.8 | -172.6 | 0 | 0 | 0 | 0 | 109 | I412 V431 T436 M437 I514 V516 F562 | I412-V560 HydrophobicContact CD1-CG2 4.08Å; I412-V560 HydrophobicContact CG2-CG2 3.6Å; V431-V560 HydrophobicContact CG1-CG1 3.82Å; V431-V560 HydrophobicContact CG1-CG2 4.38Å; V431-V560 HydrophobicContact CG2-CG2 4.03Å; T436-V560 CarbonylContact C-O 3.53Å; T436-V560 VanDerWaalsContact CA-O 3.31Å; T436-V560 WeakPolarHBondContact CA-O 3.37Å; T436-V560 WeakPolarHBondContact CG2-O 3.38Å; M437-V560 PolarHBondContact N-O 2.81Å; M437-V560 PolarHBondContact O-N 3.15Å; I514-V560 HydrophobicContact CB-CG1 4.41Å; I514-V560 HydrophobicContact CB-CG2 4.19Å; I514-V560 HydrophobicContact CD1-CG2 4.3Å; I514-V560 HydrophobicContact CG2-CG1 4.39Å; I514-V560 CarbonylContact O-C 3.57Å; I514-V560 VanDerWaalsContact O-CA 3.25Å; I514-V560 WeakPolarHBondContact O-CA 3.5Å; V516-V560 HydrophobicContact CG2-CG1 4.24Å; V560-F562 HydrophobicContact CG1-CD2 4.46Å; V560-F562 HydrophobicContact CG1-CE2 3.98Å |
| 561 | T | 96.3 | Very high | 81.7 | Confident | 46 Ų | 46 | 64.8 Ų | 64.8 | 28% | 0.282 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 141.1 | 175.1 | 52 | 0 | 0 | 0 | 0 | 110.6 | T436 I514 V516 | T436-T561 HydrophobicContact CG2-CG2 4.07Å; I514-T561 PolarHBondContact O-N 3.47Å; I514-T561 PolarHBondContact O-OG1 3.3Å; V516-T561 PolarHBondContact N-O 3.19Å |
| 562 | F | 94.4 | Very high | 81.2 | Confident | 28 Ų | 28 | 61.4 Ų | 61.4 | 12% | 0.123 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.8 | 172.6 | -75.3 | -92.6 | 0 | 0 | 0 | 109.7 | L388 V431 L432 F433 Y435 V516 V560 | L388-F562 HydrophobicContact CD1-CE1 4Å; L388-F562 HydrophobicContact CD1-CZ 3.85Å; L388-F562 HydrophobicContact CD2-CE1 4.32Å; L388-F562 HydrophobicContact CD2-CZ 4.46Å; L388-F562 HydrophobicContact CG-CE1 4.49Å; L388-F562 HydrophobicContact CG-CZ 4.24Å; V431-F562 HydrophobicContact CG1-CE2 4.22Å; V431-F562 HydrophobicContact CG1-CZ 3.99Å; L432-F562 VanDerWaalsContact O-CE2 3.24Å; L432-F562 WeakPolarHBondContact O-CE2 2.89Å; L432-F562 WeakPolarHBondContact O-CZ 3.35Å; F433-F562 HydrophobicContact CD2-CD1 4.05Å; F433-F562 AromaticContact CD2-CE1 3.64Å; F433-F562 HydrophobicContact CD2-CE1 3.64Å; F433-F562 HydrophobicContact CD2-CZ 4.5Å; F433-F562 HydrophobicContact CE2-CD1 4.18Å; F433-F562 HydrophobicContact CE2-CE1 4.2Å; F433-F562 HydrophobicContact CG-CE1 4.48Å; Y435-F562 VanDerWaalsContact O-CD2 3.3Å; Y435-F562 WeakPolarHBondContact O-CD2 3.47Å; Y435-F562 WeakPolarHBondContact O-CE2 3.42Å; V516-F562 HydrophobicContact CB-CD1 3.77Å; V516-F562 HydrophobicContact CB-CE1 3.77Å; V516-F562 HydrophobicContact CB-CG 4.41Å; V516-F562 HydrophobicContact CB-CZ 4.4Å; V516-F562 HydrophobicContact CG1-CD1 3.79Å; V516-F562 HydrophobicContact CG1-CE1 3.6Å; V516-F562 HydrophobicContact CG2-CE1 4.18Å; V516-F562 HydrophobicContact CG2-CZ 4.37Å; V516-F562 WeakPolarHBondContact O-CA 3.25Å; V560-F562 HydrophobicContact CG1-CD2 4.46Å; V560-F562 HydrophobicContact CG1-CE2 3.98Å |
| 563 | V | 91.9 | Very high | 80.1 | Confident | 51 Ų | 51 | 66.6 Ų | 66.6 | 31% | 0.309 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 119.4 | -178.1 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | E515 V516 K517 W518 V565 | E515-V563 HydrophobicContact CG-CG2 4Å; V516-V563 PolarHBondContact O-N 3.39Å; K517-V563 WeakPolarHBondContact CA-O 3.3Å; K517-V563 HydrophobicContact CG-CB 4.35Å; W518-V563 VanDerWaalsContact CD1-O 3.29Å; W518-V563 PolarHBondContact N-O 3.3Å; V563-V565 HydrophobicContact CG1-CG1 4.1Å |
| 564 | D | 89.1 | Confident | 78.9 | Confident | 74 Ų | 74 | 72.1 Ų | 72.1 | 40% | 0.396 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 118.4 | 171.9 | -172.2 | -8.1 | 0 | 0 | 0 | 109.1 | W518 S566 | W518-D564 HydrophobicContact CH2-CB 4.35Å; W518-D564 HydrophobicContact CZ2-CB 3.75Å; W518-D564 WeakPolarHBondContact O-CA 3.46Å; D564-S566 WeakPolarHBondContact OD1-CB 3.48Å; D564-S566 PolarHBondContact OD1-N 2.86Å; D564-S566 PolarHBondContact OD1-OG 3.16Å |
| 565 | V | 87.6 | Confident | 77.6 | Confident | 64 Ų | 64 | 75.2 Ų | 75.2 | 39% | 0.388 | 46% | 0.456 | S | S | . | . | trans | -113.7 | 24.3 | 177.2 | -61 | 0 | 0 | 0 | 0 | 111.9 | K517 W518 V532 V563 A567 | K517-V565 HydrophobicContact CB-CG1 4.22Å; K517-V565 HydrophobicContact CB-CG2 4.28Å; K517-V565 HydrophobicContact CD-CG1 4.16Å; K517-V565 HydrophobicContact CG-CG1 4.36Å; W518-V565 WeakPolarHBondContact O-CG2 3.41Å; W518-V565 PolarHBondContact O-N 2.97Å; V532-V565 HydrophobicContact CG2-CG2 3.62Å; V563-V565 HydrophobicContact CG1-CG1 4.1Å; V565-A567 PolarHBondContact O-N 3.5Å | ||
| 566 | S | 80.8 | Confident | 76.2 | Confident | 26 Ų | 26 | 74.7 Ų | 74.7 | 18% | 0.182 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 134.8 | 172.2 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | T519 K520 D564 | T519-S566 WeakPolarHBondContact OG1-CA 3.38Å; K520-S566 PolarHBondContact N-OG 2.81Å; D564-S566 WeakPolarHBondContact OD1-CB 3.48Å; D564-S566 PolarHBondContact OD1-N 2.86Å; D564-S566 PolarHBondContact OD1-OG 3.16Å |
| 567 | A | 72.7 | Confident | 74.5 | Confident | 57 Ų | 57 | 79.6 Ų | 79.6 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 132.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110 | V565 | V565-A567 PolarHBondContact O-N 3.5Š|
| 568 | P | 68.2 | Low | 73.1 | Confident | 108 Ų | 108 | 82 Ų | 82 | 70% | 0.701 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -63.7 | 152 | 173.7 | 27.5 | -33 | 0 | 0 | 0 | 110 | E570 | P568-E570 PolarHBondContact O-N 3.42Š|
| 569 | A | 63.6 | Low | 71.8 | Confident | 109 Ų | 109 | 89.2 Ų | 89.2 | 90% | 0.901 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 121.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 570 | E | 59.6 | Low | 70 | Confident | 177 Ų | 177 | 96 Ų | 96 | 83% | 0.827 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 129.2 | 173 | -67.6 | -173.3 | 172.9 | 0 | 0 | 110.6 | P568 G572 | P568-E570 PolarHBondContact O-N 3.42Å; E570-G572 PolarHBondContact O-N 2.82Å |
| 571 | A | 54.5 | Low | 68.9 | Low | 97 Ų | 97 | 98.9 Ų | 98.9 | 80% | 0.802 | 61% | 0.608 | S | S | * | * | trans | -75.8 | 105.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 572 | G | 53.8 | Low | 67.6 | Low | 74 Ų | 74 | 108.7 Ų | 108.7 | 76% | 0.763 | 64% | 0.64 | S | S | * | * | trans | -112.9 | 118.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E570 | E570-G572 PolarHBondContact O-N 2.82Š| ||
| 573 | F | 51.7 | Low | 67 | Low | 208 Ų | 208 | 111.5 Ų | 111.5 | 91% | 0.912 | 66% | 0.656 | S | S | * | * | trans | -90.2 | 115.1 | 168.9 | -62.8 | -82.8 | 0 | 0 | 0 | 109 | ||||
| 574 | R | 55.2 | Low | 66.5 | Low | 192 Ų | 192 | 112.9 Ų | 112.9 | 73% | 0.725 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 162.3 | 164.2 | -103.2 | -163.1 | -173.4 | -152.5 | 3.4 | 110.6 | ||
| 575 | A | 54.6 | Low | 66.1 | Low | 80 Ų | 80 | 119.2 Ų | 119.2 | 66% | 0.661 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 134.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 576 | P | 57.4 | Low | 65.8 | Low | 115 Ų | 115 | 120.2 Ų | 120.2 | 75% | 0.747 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 141.7 | 178.1 | 19.6 | -30.5 | 0 | 0 | 0 | 109.9 | A578 | P576-A578 PolarHBondContact O-N 2Š|
| 577 | P | 55.7 | Low | 65.9 | Low | 104 Ų | 104 | 124.5 Ų | 124.5 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 133.3 | -178.2 | 22.3 | -32.1 | 0 | 0 | 0 | 109.7 | I579 | P577-I579 PolarHBondContact O-N 3.21Š|
| 578 | A | 61.9 | Low | 66.4 | Low | 90 Ų | 90 | 127.7 Ų | 127.7 | 74% | 0.744 | 71% | 0.712 | S | S | * | * | trans | -64 | 111.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | P576 N580 | P576-A578 PolarHBondContact O-N 2Å; A578-N580 PolarHBondContact O-N 3.18Å | ||
| 579 | I | 67.3 | Low | 66.8 | Low | 152 Ų | 152 | 130.5 Ų | 130.5 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | trans | -71.9 | 97.3 | 175.1 | -60 | 173.2 | 0 | 0 | 0 | 107.3 | P577 A581 | P577-I579 PolarHBondContact O-N 3.21Å; I579-A581 HydrophobicContact CG2-CB 3.92Å; I579-A581 PolarHBondContact O-N 3.32Å | ||
| 580 | N | 56.8 | Low | 67.6 | Low | 163 Ų | 163 | 129.4 Ų | 129.4 | 87% | 0.872 | 70% | 0.698 | S | S | * | * | trans | -77.7 | 68 | 168.6 | -98.6 | -27.9 | 0 | 0 | 0 | 109.5 | A578 R582 | A578-N580 PolarHBondContact O-N 3.18Å; N580-R582 PolarHBondContact O-N 3.41Å | ||
| 581 | A | 74.4 | Confident | 68.2 | Low | 62 Ų | 62 | 129.8 Ų | 129.8 | 51% | 0.512 | 70% | 0.697 | S | S | . | * | trans | -76.8 | 112.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | I579 L583 | I579-A581 HydrophobicContact CG2-CB 3.92Å; I579-A581 PolarHBondContact O-N 3.32Å; A581-L583 HydrophobicContact CB-CD2 4.32Å; A581-L583 HydrophobicContact CB-CG 4.37Å; A581-L583 PolarHBondContact O-N 3.28Å | ||
| 582 | R | 69.3 | Low | 68.5 | Low | 251 Ų | 251 | 133.6 Ų | 133.6 | 95% | 0.947 | 71% | 0.71 | S | S | * | * | trans | -84 | 100.1 | 163.2 | -71.6 | -172.7 | -179.5 | -178.7 | 0.9 | 107.7 | N580 | N580-R582 PolarHBondContact O-N 3.41Š| ||
| 583 | L | 81.7 | Confident | 69.2 | Low | 87 Ų | 87 | 136.6 Ų | 136.6 | 46% | 0.455 | 71% | 0.708 | S | S | . | * | trans | -82.4 | 141.6 | 176.7 | -61.6 | 173 | 0 | 0 | 0 | 109.7 | A581 F587 F588 | A581-L583 HydrophobicContact CB-CD2 4.32Å; A581-L583 HydrophobicContact CB-CG 4.37Å; A581-L583 PolarHBondContact O-N 3.28Å; L583-F587 HydrophobicContact CB-CB 3.9Å; L583-F587 HydrophobicContact CB-CD2 4.36Å; L583-F587 HydrophobicContact CB-CG 4.02Å; L583-F587 HydrophobicContact CD1-CD1 3.64Å; L583-F587 HydrophobicContact CD1-CD2 4.42Å; L583-F587 HydrophobicContact CD1-CE1 3.82Å; L583-F587 HydrophobicContact CD1-CG 3.94Å; L583-F587 HydrophobicContact CD1-CZ 4.29Å; L583-F587 HydrophobicContact CD2-CD1 4.42Å; L583-F587 HydrophobicContact CD2-CD2 3.73Å; L583-F587 HydrophobicContact CD2-CE1 4.43Å; L583-F587 HydrophobicContact CD2-CE2 3.74Å; L583-F587 HydrophobicContact CD2-CG 4.06Å; L583-F587 HydrophobicContact CD2-CZ 4.09Å; L583-F587 HydrophobicContact CG-CD1 4.41Å; L583-F587 HydrophobicContact CG-CD2 4.38Å; L583-F587 HydrophobicContact CG-CG 4.22Å; L583-F588 HydrophobicContact CD1-CE2 4.4Å | ||
| 584 | P | 81.4 | Confident | 70.1 | Confident | 81 Ų | 81 | 132.8 Ų | 132.8 | 53% | 0.526 | 70% | 0.697 | S | S | . | * | trans | -54.8 | 153 | 170.1 | -23.6 | 33.4 | 0 | 0 | 0 | 111.4 | N586 F587 | P584-N586 WeakPolarHBondContact CB-OD1 2.92Å; P584-N586 PolarHBondContact O-N 3.43Å; P584-F587 WeakPolarHBondContact O-CB 3.42Å; P584-F587 PolarHBondContact O-N 3.42Å | ||
| 585 | F | 79.2 | Confident | 70.9 | Confident | 206 Ų | 206 | 129.6 Ų | 129.6 | 90% | 0.904 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.8 | -22.6 | -174.4 | 80.1 | -88.3 | 0 | 0 | 0 | 114.2 | ||
| 586 | N | 81.5 | Confident | 71.9 | Confident | 86 Ų | 86 | 132.5 Ų | 132.5 | 46% | 0.46 | 70% | 0.697 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -107.1 | 12.2 | -175.1 | 59.1 | -22.9 | 0 | 0 | 0 | 113.9 | P584 F588 F589 | P584-N586 WeakPolarHBondContact CB-OD1 2.92Å; P584-N586 PolarHBondContact O-N 3.43Å; N586-F588 PolarHBondContact O-N 2.79Å; N586-F588 VanDerWaalsContact O-N 3.08Å; N586-F589 HydrophobicContact CB-CB 4.43Å; N586-F589 WeakPolarHBondContact O-CB 2.9Å; N586-F589 PolarHBondContact O-N 3.24Å |
| 587 | F | 83.4 | Confident | 72.8 | Confident | 115 Ų | 115 | 133.6 Ų | 133.6 | 50% | 0.504 | 69% | 0.694 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54.6 | -32.4 | -175 | -179.5 | -94.9 | 0 | 0 | 0 | 114.1 | L583 P584 | L583-F587 HydrophobicContact CB-CB 3.9Å; L583-F587 HydrophobicContact CB-CD2 4.36Å; L583-F587 HydrophobicContact CB-CG 4.02Å; L583-F587 HydrophobicContact CD1-CD1 3.64Å; L583-F587 HydrophobicContact CD1-CD2 4.42Å; L583-F587 HydrophobicContact CD1-CE1 3.82Å; L583-F587 HydrophobicContact CD1-CG 3.94Å; L583-F587 HydrophobicContact CD1-CZ 4.29Å; L583-F587 HydrophobicContact CD2-CD1 4.42Å; L583-F587 HydrophobicContact CD2-CD2 3.73Å; L583-F587 HydrophobicContact CD2-CE1 4.43Å; L583-F587 HydrophobicContact CD2-CE2 3.74Å; L583-F587 HydrophobicContact CD2-CG 4.06Å; L583-F587 HydrophobicContact CD2-CZ 4.09Å; L583-F587 HydrophobicContact CG-CD1 4.41Å; L583-F587 HydrophobicContact CG-CD2 4.38Å; L583-F587 HydrophobicContact CG-CG 4.22Å; P584-F587 WeakPolarHBondContact O-CB 3.42Å; P584-F587 PolarHBondContact O-N 3.42Å |
| 588 | F | 83.2 | Confident | 73.9 | Confident | 124 Ų | 124 | 135.5 Ų | 135.5 | 54% | 0.544 | 70% | 0.695 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.7 | 9.3 | 179.2 | -64.2 | -73.9 | 0 | 0 | 0 | 114.5 | L583 N586 F591 V592 | L583-F588 HydrophobicContact CD1-CE2 4.4Å; N586-F588 PolarHBondContact O-N 2.79Å; N586-F588 VanDerWaalsContact O-N 3.08Å; F588-F591 WeakPolarHBondContact O-CA 3.47Å; F588-F591 PolarHBondContact O-N 3.35Å; F588-V592 HydrophobicContact CB-CG2 3.2Å; F588-V592 HydrophobicContact CG-CG2 4.09Å |
| 589 | F | 76.6 | Confident | 74.8 | Confident | 167 Ų | 167 | 138.8 Ų | 138.8 | 73% | 0.732 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 134 | 178.2 | -173.4 | -92.9 | 0 | 0 | 0 | 111.2 | N586 | N586-F589 HydrophobicContact CB-CB 4.43Å; N586-F589 WeakPolarHBondContact O-CB 2.9Å; N586-F589 PolarHBondContact O-N 3.24Å |
| 590 | P | 79.7 | Confident | 75.4 | Confident | 87 Ų | 87 | 137.8 Ų | 137.8 | 57% | 0.565 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -101.3 | 27 | -0.8 | 40.2 | -34.6 | 0 | 0 | 0 | 113.6 | V592 | P590-V592 VanDerWaalsContact C-N 3.35Å; P590-V592 PolarHBondContact O-N 2.89Å |
| 591 | F | 73.8 | Confident | 76.9 | Confident | 184 Ų | 184 | 135.7 Ų | 135.7 | 81% | 0.807 | 67% | 0.67 | S | S | * | * | trans | -87.1 | 7.5 | -168.3 | -58.7 | -75.2 | 0 | 0 | 0 | 115 | F588 | F588-F591 WeakPolarHBondContact O-CA 3.47Å; F588-F591 PolarHBondContact O-N 3.35Å | ||
| 592 | V | 58.9 | Low | 77.2 | Confident | 178 Ų | 178 | 142.4 Ų | 142.4 | 100% | 1.079 | 68% | 0.684 | S | S | * | * | trans | -123.9 | 0 | 173.5 | -139.3 | 0 | 0 | 0 | 0 | 111.2 | F588 P590 | F588-V592 HydrophobicContact CB-CG2 3.2Å; F588-V592 HydrophobicContact CG-CG2 4.09Å; P590-V592 VanDerWaalsContact C-N 3.35Å; P590-V592 PolarHBondContact O-N 2.89Å |
Retrieved 592 of 592 residues in 301 ms
(Link to these results)