| 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 | 40.1 | Very low | 30.4 | Very low | 246 Ų | 246 | 151.2 Ų | 151.2 | 100% | 1.212 | 84% | 0.844 | S | S | * | * | 0 | 109.4 | 0 | -159.6 | 167.4 | 93 | 0 | 0 | 106.9 | |||||
| 2 | V | 25.7 | Very low | 30.5 | Very low | 130 Ų | 130 | 153 Ų | 153 | 79% | 0.788 | 84% | 0.844 | S | S | * | * | trans | -92.3 | 136.3 | -172.2 | 173.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 3 | K | 31.3 | Very low | 31 | Very low | 209 Ų | 209 | 155.9 Ų | 155.9 | 91% | 0.909 | 85% | 0.848 | S | S | * | * | trans | -152.6 | 113.1 | 146.8 | -118 | 178.7 | -179.1 | -175.6 | 0 | 110.4 | ||||
| 4 | T | 22.7 | Very low | 31.7 | Very low | 121 Ų | 121 | 157.4 Ų | 157.4 | 74% | 0.742 | 84% | 0.842 | S | S | * | * | trans | -105.8 | 142.7 | 170.7 | -57.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 5 | E | 30.2 | Very low | 32.4 | Very low | 192 Ų | 192 | 156.7 Ų | 156.7 | 90% | 0.897 | 84% | 0.839 | S | S | * | * | trans | 164.1 | 153.3 | 150.1 | -98.6 | 174.9 | 162.4 | 0 | 0 | 109.1 | ||||
| 6 | A | 27.3 | Very low | 32.9 | Very low | 93 Ų | 93 | 151.8 Ų | 151.8 | 77% | 0.769 | 84% | 0.836 | S | S | * | * | cis | -171.7 | 147.7 | -35.1 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 7 | T | 29.7 | Very low | 33.4 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 79% | 0.785 | 83% | 0.834 | S | S | * | * | trans | -72.7 | 172.5 | -174.2 | -25.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 8 | P | 31.8 | Very low | 33.9 | Very low | 126 Ų | 126 | 153.6 Ų | 153.6 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | -151.1 | 167 | 83.5 | 35.8 | -13.8 | 0 | 0 | 0 | 118 | |||||
| 9 | L | 27 | Very low | 34.1 | Very low | 157 Ų | 157 | 157.7 Ų | 157.7 | 82% | 0.822 | 84% | 0.839 | S | S | * | * | trans | -75.6 | 156.7 | 175 | -79.9 | 147.3 | 0 | 0 | 0 | 114.2 | ||||
| 10 | L | 33.5 | Very low | 34.7 | Very low | 164 Ų | 164 | 158.6 Ų | 158.6 | 86% | 0.859 | 84% | 0.842 | S | S | * | * | trans | -170.6 | 132.1 | 139.9 | -105.2 | 152 | 0 | 0 | 0 | 116.2 | ||||
| 11 | S | 35.3 | Very low | 34.7 | Very low | 97 Ų | 97 | 154.7 Ų | 154.7 | 68% | 0.678 | 84% | 0.84 | S | S | * | * | trans | 53.7 | 121.4 | 147.7 | 58.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 12 | M | 31.1 | Very low | 34.6 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 85% | 0.852 | 83% | 0.825 | S | S | * | * | 74.3 | 110 | 60.5 | -74.8 | -159.9 | 74.5 | 0 | 0 | 117.3 | |||||
| 13 | Q | 37.6 | Very low | 35.2 | Very low | 191 Ų | 191 | 152.4 Ų | 152.4 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | trans | 179.2 | 116.7 | 143.2 | -104.7 | 179 | -68 | 0 | 0 | 106.5 | ||||
| 14 | K | 40.3 | Very low | 35.9 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | cis | 83.1 | 132.6 | 46.9 | -138.8 | -169.1 | -177.1 | -176.5 | 0 | 114.7 | ||||
| 15 | D | 42 | Very low | 36.7 | Very low | 148 Ų | 148 | 147.2 Ų | 147.2 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | trans | 94.7 | 134.4 | 169.6 | -50.8 | -30.1 | 0 | 0 | 0 | 115.8 | ||||
| 16 | G | 40 | Very low | 37.4 | Very low | 77 Ų | 77 | 142.9 Ų | 142.9 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | cis | -168.2 | 176.5 | 10.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 17 | V | 41.4 | Very low | 38.2 | Very low | 134 Ų | 134 | 144.3 Ų | 144.3 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -97.9 | 148 | -160 | 165.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 18 | K | 42.6 | Very low | 39 | Very low | 203 Ų | 203 | 142.6 Ų | 142.6 | 88% | 0.883 | 81% | 0.807 | S | S | * | * | 169.7 | 150.8 | 111.2 | -126.8 | 149 | -172.5 | -170.8 | 0 | 114.5 | |||||
| 19 | R | 38.6 | Very low | 39.6 | Very low | 231 Ų | 231 | 143.5 Ų | 143.5 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -84.5 | 178.6 | -173.5 | -70.9 | 178 | 171.1 | 178.2 | -3 | 114.2 | ||||
| 20 | I | 45.1 | Very low | 40.4 | Very low | 175 Ų | 175 | 145.7 Ų | 145.7 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | 114.7 | 124.4 | 157.4 | -57.6 | 154.7 | 0 | 0 | 0 | 108.7 | ||||
| 21 | G | 35.3 | Very low | 40.8 | Very low | 78 Ų | 78 | 145.4 Ų | 145.4 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | cis | 145.7 | 128.3 | 13.6 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 22 | G | 38.4 | Very low | 41.2 | Very low | 87 Ų | 87 | 146.7 Ų | 146.7 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | trans | 157.7 | 113.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 23 | R | 37.6 | Very low | 41.6 | Very low | 241 Ų | 241 | 149.5 Ų | 149.5 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -124.9 | 172.3 | 163.3 | -138.5 | -161.2 | 163.2 | 177.3 | -2.8 | 104.9 | ||||
| 24 | P | 45.5 | Very low | 41.9 | Very low | 88 Ų | 88 | 144.5 Ų | 144.5 | 57% | 0.571 | 79% | 0.789 | S | S | * | * | cis | -141.2 | -173.1 | -8.5 | 37.5 | -15.7 | 0 | 0 | 0 | 115.4 | ||||
| 25 | T | 40.3 | Very low | 42 | Very low | 132 Ų | 132 | 144 Ų | 144 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | trans | 70 | 123 | 143.5 | 54.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 26 | S | 45.1 | Very low | 42.1 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | -172.2 | 126 | 126.7 | -160.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 27 | T | 44.4 | Very low | 42.2 | Very low | 122 Ų | 122 | 143.4 Ų | 143.4 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | 47 | 119.5 | 138.7 | 56.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 28 | A | 45.6 | Very low | 42.3 | Very low | 92 Ų | 92 | 144.5 Ų | 144.5 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | 84.8 | 140 | 91.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 29 | E | 45.1 | Very low | 42 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | cis | -160.2 | 159.2 | 31.5 | -73.5 | -173.8 | 101 | 0 | 0 | 111.8 | ||||
| 30 | R | 43.6 | Very low | 41.9 | Very low | 203 Ų | 203 | 130.9 Ų | 130.9 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | 40.6 | 128.5 | 142.1 | -63.8 | 178.2 | -136.8 | -159.3 | 3.1 | 122.6 | ||||
| 31 | D | 42.5 | Very low | 41.3 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | -170.1 | 148.7 | 100.5 | -98.4 | -23.5 | 0 | 0 | 0 | 114.1 | |||||
| 32 | T | 42.1 | Very low | 41.2 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | trans | -100.8 | 149.9 | -169.3 | 44.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 33 | R | 41.4 | Very low | 41.1 | Very low | 231 Ų | 231 | 137.6 Ų | 137.6 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | 147.8 | 109.1 | 138.3 | -91.8 | -179.9 | 170.8 | 175.2 | -3.1 | 112.1 | ||||
| 34 | S | 43.5 | Very low | 41 | Very low | 87 Ų | 87 | 131 Ų | 131 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | 79.3 | 106.2 | 92.5 | 67.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 35 | D | 41.8 | Very low | 40.6 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | 168.4 | 145.6 | 112.3 | -86.3 | -21.8 | 0 | 0 | 0 | 111.6 | |||||
| 36 | A | 43.6 | Very low | 40.4 | Very low | 94 Ų | 94 | 131.4 Ų | 131.4 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | -103.3 | -168 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 37 | P | 42.3 | Very low | 40.1 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | -115.7 | 168 | -112.7 | 33.9 | -15.3 | 0 | 0 | 0 | 113 | |||||
| 38 | V | 43.5 | Very low | 40 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 95% | 0.945 | 78% | 0.784 | S | S | * | * | trans | -178.4 | 136.3 | 148.9 | 161.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 39 | G | 37.2 | Very low | 39.7 | Very low | 73 Ų | 73 | 138 Ų | 138 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | 137.2 | 100.6 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 40 | G | 36 | Very low | 39.7 | Very low | 75 Ų | 75 | 139.7 Ų | 139.7 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | 77.1 | 95 | 126.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 41 | H | 31.8 | Very low | 39.5 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -64 | 134 | 162.1 | -62.6 | -79.7 | 0 | 0 | 0 | 111.7 | ||||
| 42 | S | 34.4 | Very low | 39.2 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -153.7 | 86.2 | 159.7 | -60 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 43 | F | 35.7 | Very low | 38.8 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | trans | -94.7 | 103.7 | 169.5 | -77 | -80.6 | 0 | 0 | 0 | 108.6 | T45 | F43-T45 PolarHBondContact O-N 3.15Š| ||
| 44 | A | 36.1 | Very low | 38.9 | Very low | 103 Ų | 103 | 129 Ų | 129 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -76.7 | 114.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 45 | T | 36.6 | Very low | 39 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -86 | 112.5 | 170.5 | 39 | 0 | 0 | 0 | 0 | 109.1 | F43 | F43-T45 PolarHBondContact O-N 3.15Š| ||
| 46 | S | 35.2 | Very low | 39.2 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -100.6 | 126.3 | 168.6 | -106.6 | 0 | 0 | 0 | 0 | 109.5 | V48 | S46-V48 PolarHBondContact O-N 3.29Š| ||
| 47 | P | 39.2 | Very low | 39.6 | Very low | 111 Ų | 111 | 136 Ų | 136 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -75.5 | 119.5 | 173.1 | 29.9 | -30.3 | 0 | 0 | 0 | 109.6 | R49 | P47-R49 PolarHBondContact O-N 3.1Š| ||
| 48 | V | 42.4 | Very low | 40 | Very low | 124 Ų | 124 | 139 Ų | 139 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -86.4 | 108.5 | 174.4 | 177.6 | 0 | 0 | 0 | 0 | 108.8 | S46 | S46-V48 PolarHBondContact O-N 3.29Š| ||
| 49 | R | 39.6 | Very low | 40.9 | Very low | 220 Ų | 220 | 135.3 Ų | 135.3 | 83% | 0.83 | 79% | 0.789 | S | S | * | * | trans | -92.2 | 113.4 | 171.2 | -172.2 | 179.6 | -174 | 179.5 | 2.4 | 108.7 | P47 Q51 | P47-R49 PolarHBondContact O-N 3.1Å; R49-Q51 PolarHBondContact O-N 2.93Å | ||
| 50 | R | 45.7 | Very low | 41.8 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | trans | -81 | 115.7 | 176.6 | -86.3 | -172.7 | 175.3 | -172.2 | 1.5 | 111.2 | E64 | R50-E64 PolarHBondContact NH2-O 3.33Š| ||
| 51 | Q | 38.3 | Very low | 42.8 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -111.4 | 125.5 | 153.9 | -80.9 | -179.8 | -18.4 | 0 | 0 | 107.1 | R49 | R49-Q51 PolarHBondContact O-N 2.93Š| ||
| 52 | S | 37.5 | Very low | 44 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -103.1 | 122 | -178.5 | 52.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 53 | C | 33 | Very low | 45.1 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 96% | 0.959 | 75% | 0.745 | S | S | * | * | trans | -178.1 | 94.6 | 143.2 | -94.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 54 | G | 43.8 | Very low | 45.8 | Very low | 59 Ų | 59 | 129.5 Ų | 129.5 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | -148.5 | 128.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109 | Y56 | G54-Y56 VanDerWaalsContact O-CD1 3.29Å; G54-Y56 WeakPolarHBondContact O-CD1 3.33Å; G54-Y56 PolarHBondContact O-N 3.3Å | ||
| 55 | I | 45.4 | Very low | 46.5 | Very low | 174 Ų | 174 | 129.5 Ų | 129.5 | 89% | 0.892 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 116.3 | -176 | -61.3 | 161.6 | 0 | 0 | 0 | 109.1 | ||
| 56 | Y | 46.3 | Very low | 47.6 | Very low | 187 Ų | 187 | 131.1 Ų | 131.1 | 73% | 0.733 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 122.3 | -179.3 | 32.4 | -92.4 | 0 | 0 | 0 | 111.3 | G54 | G54-Y56 VanDerWaalsContact O-CD1 3.29Å; G54-Y56 WeakPolarHBondContact O-CD1 3.33Å; G54-Y56 PolarHBondContact O-N 3.3Å |
| 57 | N | 51 | Low | 49.1 | Very low | 132 Ų | 132 | 129 Ų | 129 | 71% | 0.706 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 130.4 | 168.4 | -81.5 | -20.3 | 0 | 0 | 0 | 109.7 | G59 T60 | N57-G59 PolarHBondContact O-N 2.67Å; N57-T60 PolarHBondContact O-OG1 3.05Å |
| 58 | I | 51.8 | Low | 50.5 | Low | 183 Ų | 183 | 133.4 Ų | 133.4 | 94% | 0.938 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | 124.5 | 173 | -80.9 | 164.9 | 0 | 0 | 0 | 109.7 | ||
| 59 | G | 61.9 | Low | 52.1 | Low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.3 | -12.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | N57 | N57-G59 PolarHBondContact O-N 2.67Š|
| 60 | T | 56.7 | Low | 53.8 | Low | 103 Ų | 103 | 129.1 Ų | 129.1 | 63% | 0.632 | 68% | 0.677 | S | S | * | * | trans | -85 | 121.8 | 171 | 42.5 | 0 | 0 | 0 | 0 | 110.4 | N57 Q62 | N57-T60 PolarHBondContact O-OG1 3.05Å; T60-Q62 PolarHBondContact O-N 2.76Å | ||
| 61 | I | 57.1 | Low | 55.5 | Low | 133 Ų | 133 | 121.9 Ų | 121.9 | 68% | 0.682 | 65% | 0.654 | S | S | * | * | trans | -54.4 | 127.4 | 164.5 | -60.7 | 174.6 | 0 | 0 | 0 | 106.6 | P63 Y66 | I61-P63 VanDerWaalsContact O-CD 3.26Å; I61-P63 WeakPolarHBondContact O-CD 3.42Å; I61-Y66 HydrophobicContact CG2-CD2 4.35Å; I61-Y66 HydrophobicContact CG2-CE2 3.62Å | ||
| 62 | Q | 57.1 | Low | 57.7 | Low | 68 Ų | 68 | 117.3 Ų | 117.3 | 32% | 0.318 | 64% | 0.638 | S | S | . | * | trans | -99.2 | 96.6 | 175.9 | -73.2 | -166.1 | -77 | 0 | 0 | 108.4 | T60 E64 L65 Y66 | T60-Q62 PolarHBondContact O-N 2.76Å; Q62-E64 HydrophobicContact CB-CG 4.27Å; Q62-E64 WeakPolarHBondContact CB-OE1 2.98Å; Q62-E64 VanDerWaalsContact CG-OE1 3.28Å; Q62-E64 WeakPolarHBondContact CG-OE1 3.27Å; Q62-E64 PolarHBondContact NE2-OE1 2.83Å; Q62-E64 PolarHBondContact O-N 3.16Å; Q62-E64 VanDerWaalsContact O-N 3.1Å; Q62-L65 HydrophobicContact CB-CB 4.32Å; Q62-L65 HydrophobicContact CB-CD1 3.77Å; Q62-L65 HydrophobicContact CB-CG 3.69Å; Q62-L65 HydrophobicContact CG-CD1 4.38Å; Q62-L65 WeakPolarHBondContact O-CB 3.44Å; Q62-L65 PolarHBondContact O-N 3.15Å; Q62-Y66 VanDerWaalsContact O-CD2 3.28Å; Q62-Y66 WeakPolarHBondContact O-CD2 3.34Å | ||
| 63 | P | 56.8 | Low | 60 | Low | 91 Ų | 91 | 113.8 Ų | 113.8 | 59% | 0.591 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -55.9 | -29.5 | -178.8 | -22.7 | 33.9 | 0 | 0 | 0 | 112.5 | I61 L65 Y66 | I61-P63 VanDerWaalsContact O-CD 3.26Å; I61-P63 WeakPolarHBondContact O-CD 3.42Å; P63-L65 PolarHBondContact O-N 3.19Å; P63-Y66 PolarHBondContact O-N 3.42Å |
| 64 | E | 51 | Low | 62.5 | Low | 112 Ų | 112 | 110.9 Ų | 110.9 | 52% | 0.523 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -65.8 | -11.2 | 175.7 | 66.2 | -84.3 | -171.3 | 0 | 0 | 115 | R50 Q62 | R50-E64 PolarHBondContact NH2-O 3.33Å; Q62-E64 HydrophobicContact CB-CG 4.27Å; Q62-E64 WeakPolarHBondContact CB-OE1 2.98Å; Q62-E64 VanDerWaalsContact CG-OE1 3.28Å; Q62-E64 WeakPolarHBondContact CG-OE1 3.27Å; Q62-E64 PolarHBondContact NE2-OE1 2.83Å; Q62-E64 PolarHBondContact O-N 3.16Å; Q62-E64 VanDerWaalsContact O-N 3.1Å |
| 65 | L | 50.7 | Low | 64.3 | Low | 103 Ų | 103 | 111.4 Ų | 111.4 | 54% | 0.539 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -90.1 | -14.9 | 170.5 | -63.8 | -176.5 | 0 | 0 | 0 | 112.7 | Q62 P63 | Q62-L65 HydrophobicContact CB-CB 4.32Å; Q62-L65 HydrophobicContact CB-CD1 3.77Å; Q62-L65 HydrophobicContact CB-CG 3.69Å; Q62-L65 HydrophobicContact CG-CD1 4.38Å; Q62-L65 WeakPolarHBondContact O-CB 3.44Å; Q62-L65 PolarHBondContact O-N 3.15Å; P63-L65 PolarHBondContact O-N 3.19Å |
| 66 | Y | 58.8 | Low | 66.1 | Low | 157 Ų | 157 | 107.3 Ų | 107.3 | 62% | 0.616 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -98.7 | 103.9 | 179.9 | -62.6 | -88.3 | 0 | 0 | 0 | 109.6 | I61 Q62 P63 R68 | I61-Y66 HydrophobicContact CG2-CD2 4.35Å; I61-Y66 HydrophobicContact CG2-CE2 3.62Å; Q62-Y66 VanDerWaalsContact O-CD2 3.28Å; Q62-Y66 WeakPolarHBondContact O-CD2 3.34Å; P63-Y66 PolarHBondContact O-N 3.42Å; Y66-R68 PolarHBondContact O-N 2.75Å |
| 67 | L | 66.5 | Low | 67.3 | Low | 60 Ų | 60 | 101.4 Ų | 101.4 | 31% | 0.314 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 126.3 | 168.2 | -69.9 | 168.6 | 0 | 0 | 0 | 108.9 | L73 D190 A193 | L67-L73 HydrophobicContact CD1-CD1 4.43Å; L67-L73 HydrophobicContact CD2-CD1 4.08Å; L67-L73 HydrophobicContact CD2-CD2 3.65Å; L67-L73 HydrophobicContact CD2-CG 4.34Å; L67-D190 HydrophobicContact CD1-CB 3.98Å; L67-A193 HydrophobicContact CB-CB 4.04Å |
| 68 | R | 68.6 | Low | 68.1 | Low | 203 Ų | 203 | 98.3 Ų | 98.3 | 77% | 0.766 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 152 | 173.8 | -71.5 | -162.1 | 177.9 | -176 | 1.4 | 109 | Y66 G70 S71 | Y66-R68 PolarHBondContact O-N 2.75Å; R68-G70 PolarHBondContact O-N 3.4Å; R68-S71 PolarHBondContact N-OG 3.3Å; R68-S71 WeakPolarHBondContact O-CB 3.44Å; R68-S71 PolarHBondContact O-N 3.33Å; R68-S71 PolarHBondContact O-OG 2.92Å |
| 69 | R | 76.3 | Confident | 69.3 | Low | 205 Ų | 205 | 91.1 Ų | 91.1 | 77% | 0.774 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 125.4 | 175.7 | -168 | 177.2 | -180 | 172.4 | 1.2 | 110.3 | A193 D194 | R69-A193 CarbonylContact C-O 3.55Å; R69-A193 WeakPolarHBondContact CA-O 3.32Å; R69-D194 HydrophobicContact CG-CB 4.14Å; R69-D194 IonicContact NE-OD2 3.01Å; R69-D194 IonicContact NH2-OD2 3.31Å |
| 70 | G | 75.3 | Confident | 70.2 | Confident | 49 Ų | 49 | 95.3 Ų | 95.3 | 51% | 0.505 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 16 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | R68 A193 D194 | R68-G70 PolarHBondContact O-N 3.4Å; G70-A193 PolarHBondContact N-O 3.31Å; G70-D194 VanDerWaalsContact CA-O 3.24Å; G70-D194 WeakPolarHBondContact CA-O 3.37Å; G70-D194 PolarHBondContact N-O 3.45Å; G70-D194 VanDerWaalsContact N-O 3.14Å |
| 71 | S | 81.1 | Confident | 71.6 | Confident | 31 Ų | 31 | 95.3 Ų | 95.3 | 22% | 0.217 | 50% | 0.502 | C | S | . | . | trans | -57.9 | 139.6 | 172.5 | -79.8 | 0 | 0 | 0 | 0 | 111.7 | R68 I195 E196 | R68-S71 PolarHBondContact N-OG 3.3Å; R68-S71 WeakPolarHBondContact O-CB 3.44Å; R68-S71 PolarHBondContact O-N 3.33Å; R68-S71 PolarHBondContact O-OG 2.92Å; S71-I195 WeakPolarHBondContact O-CA 3.27Å; S71-E196 PolarHBondContact O-N 2.94Å | ||
| 72 | V | 85.4 | Confident | 73.2 | Confident | 79 Ų | 79 | 91.5 Ų | 91.5 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.2 | 172.6 | -175.4 | 0 | 0 | 0 | 0 | 108.4 | E196 | V72-E196 CarbonylContact C-O 3.51Å; V72-E196 VanDerWaalsContact CA-O 3.3Å; V72-E196 WeakPolarHBondContact CA-O 3.49Å; V72-E196 HydrophobicContact CG2-CB 4.35Å |
| 73 | L | 85.4 | Confident | 74.9 | Confident | 41 Ų | 41 | 88.9 Ų | 88.9 | 22% | 0.215 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 142.4 | 179.8 | -55.8 | -176.6 | 0 | 0 | 0 | 110.1 | L67 I195 E196 V197 A198 | L67-L73 HydrophobicContact CD1-CD1 4.43Å; L67-L73 HydrophobicContact CD2-CD1 4.08Å; L67-L73 HydrophobicContact CD2-CD2 3.65Å; L67-L73 HydrophobicContact CD2-CG 4.34Å; L73-I195 HydrophobicContact CD1-CD1 3.81Å; L73-E196 PolarHBondContact N-O 2.92Å; L73-V197 HydrophobicContact CB-CG2 4.38Å; L73-V197 CarbonylContact O-C 3.49Å; L73-V197 WeakPolarHBondContact O-CA 3.35Å; L73-A198 PolarHBondContact O-N 3.19Å |
| 74 | T | 86.3 | Confident | 76.7 | Confident | 80 Ų | 80 | 85.3 Ų | 85.3 | 49% | 0.491 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 119.8 | 172.8 | -49.8 | 0 | 0 | 0 | 0 | 108.6 | T76 A198 | T74-T76 HydrophobicContact CG2-CG2 3.87Å; T74-A198 CarbonylContact C-O 3.5Å; T74-A198 WeakPolarHBondContact CA-O 3.48Å |
| 75 | Q | 81.4 | Confident | 78.8 | Confident | 70 Ų | 70 | 83.6 Ų | 83.6 | 33% | 0.327 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 101.7 | 176.3 | -171.7 | 168.2 | -7.5 | 0 | 0 | 109.5 | E183 A198 A199 E200 | Q75-E183 PolarHBondContact NE2-O 3.44Å; Q75-A198 PolarHBondContact N-O 3.12Å; Q75-A199 HydrophobicContact CB-CB 4.24Å; Q75-E200 PolarHBondContact O-N 2.71Å |
| 76 | T | 81.4 | Confident | 80.9 | Confident | 88 Ų | 88 | 78.7 Ų | 78.7 | 54% | 0.54 | 42% | 0.422 | S | S | . | . | trans | -109.8 | 132.8 | 174.3 | 59.7 | 0 | 0 | 0 | 0 | 109.4 | T74 E200 | T74-T76 HydrophobicContact CG2-CG2 3.87Å; T76-E200 VanDerWaalsContact CA-CD 3.48Å; T76-E200 VanDerWaalsContact CA-OE2 3.26Å; T76-E200 WeakPolarHBondContact CA-OE2 3.28Å; T76-E200 WeakPolarHBondContact CB-OE1 3.4Å; T76-E200 HydrophobicContact CG2-CG 4.4Å; T76-E200 WeakPolarHBondContact CG2-OE1 3.43Å | ||
| 77 | S | 72 | Confident | 82.7 | Confident | 63 Ų | 63 | 75.5 Ų | 75.5 | 44% | 0.441 | 41% | 0.408 | S | S | . | . | trans | -92.9 | -22 | 172.1 | 65.5 | 0 | 0 | 0 | 0 | 112.6 | S79 E200 E202 | S77-S79 PolarHBondContact O-N 2.83Å; S77-S79 VanDerWaalsContact OG-CB 3.24Å; S77-S79 WeakPolarHBondContact OG-CB 3.46Å; S77-S79 PolarHBondContact OG-N 2.83Å; S77-S79 VanDerWaalsContact OG-N 3.11Å; S77-E200 PolarHBondContact N-OE2 3.26Å; S77-E200 PolarHBondContact OG-OE2 3.5Å; S77-E202 WeakPolarHBondContact CB-OE1 3.26Å; S77-E202 PolarHBondContact OG-OE1 3.27Å | ||
| 78 | G | 69.3 | Low | 84.1 | Confident | 67 Ų | 67 | 72.6 Ų | 72.6 | 69% | 0.691 | 39% | 0.393 | S | S | * | . | trans | 63.7 | 22 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E200 | G78-E200 PolarHBondContact N-OE2 3.35Š| ||
| 79 | S | 77 | Confident | 85.4 | Confident | 33 Ų | 33 | 68.4 Ų | 68.4 | 23% | 0.231 | 38% | 0.378 | C | S | . | . | trans | -82.5 | 144.5 | -177.7 | -177.8 | 0 | 0 | 0 | 0 | 112.2 | S77 Y81 V82 E202 | S77-S79 PolarHBondContact O-N 2.83Å; S77-S79 VanDerWaalsContact OG-CB 3.24Å; S77-S79 WeakPolarHBondContact OG-CB 3.46Å; S77-S79 PolarHBondContact OG-N 2.83Å; S77-S79 VanDerWaalsContact OG-N 3.11Å; S79-Y81 PolarHBondContact O-N 3.13Å; S79-Y81 WeakPolarHBondContact OG-CB 3.23Å; S79-Y81 WeakPolarHBondContact OG-CD2 3.32Å; S79-Y81 PolarHBondContact OG-N 3.08Å; S79-Y81 VanDerWaalsContact OG-N 3.14Å; S79-V82 VanDerWaalsContact O-CG2 3.27Å; S79-V82 WeakPolarHBondContact O-CG2 3.45Å; S79-V82 PolarHBondContact O-N 3.21Å; S79-E202 WeakPolarHBondContact CB-OE1 3.3Å | ||
| 80 | D | 80.6 | Confident | 86.3 | Confident | 165 Ų | 165 | 58.7 Ų | 58.7 | 88% | 0.882 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -3.8 | 168.6 | -60.7 | -30.5 | 0 | 0 | 0 | 113.3 | ||
| 81 | Y | 86 | Confident | 87.3 | Confident | 104 Ų | 104 | 57 Ų | 57 | 41% | 0.408 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 2.2 | 178.3 | -55.9 | -53.4 | 0 | 0 | 0 | 114 | S79 V83 E202 R203 R204 P205 | S79-Y81 PolarHBondContact O-N 3.13Å; S79-Y81 WeakPolarHBondContact OG-CB 3.23Å; S79-Y81 WeakPolarHBondContact OG-CD2 3.32Å; S79-Y81 PolarHBondContact OG-N 3.08Å; S79-Y81 VanDerWaalsContact OG-N 3.14Å; Y81-V83 PolarHBondContact O-N 3.3Å; Y81-E202 CarbonylContact O-C 3.57Å; Y81-E202 WeakPolarHBondContact O-CA 3.39Å; Y81-R203 PolarHBondContact O-N 3.46Å; Y81-R204 HydrophobicContact CD2-CB 4.15Å; Y81-R204 HydrophobicContact CD2-CG 3.6Å; Y81-R204 HydrophobicContact CE2-CG 4.39Å; Y81-R204 HydrophobicContact CG-CB 4.25Å; Y81-R204 HydrophobicContact CG-CG 3.87Å; Y81-P205 HydrophobicContact CD1-CG 4.24Å; Y81-P205 HydrophobicContact CE1-CG 3.57Å |
| 82 | V | 90.7 | Very high | 88 | Confident | 53 Ų | 53 | 56.5 Ų | 56.5 | 32% | 0.321 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 127.5 | 178.7 | 176.9 | 0 | 0 | 0 | 0 | 109.9 | S79 E200 I201 E202 | S79-V82 VanDerWaalsContact O-CG2 3.27Å; S79-V82 WeakPolarHBondContact O-CG2 3.45Å; S79-V82 PolarHBondContact O-N 3.21Å; V82-E200 HydrophobicContact CG1-CB 4.05Å; V82-E200 HydrophobicContact CG1-CG 4.08Å; V82-E200 HydrophobicContact CG2-CB 4.01Å; V82-E200 HydrophobicContact CG2-CG 4.28Å; V82-E200 WeakPolarHBondContact CG2-OE2 3.2Å; V82-I201 CarbonylContact C-O 3.55Å; V82-I201 WeakPolarHBondContact CA-O 3.42Å; V82-E202 HydrophobicContact CG2-CG 4.17Å |
| 83 | V | 92.8 | Very high | 88.4 | Confident | 12 Ų | 12 | 55.4 Ų | 55.4 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 5.3 | -178.4 | -67.1 | 0 | 0 | 0 | 0 | 112.3 | Y81 V108 E109 L179 I201 R203 | Y81-V83 PolarHBondContact O-N 3.3Å; V83-V108 HydrophobicContact CG2-CG2 4.23Å; V83-V108 WeakPolarHBondContact O-CA 3.28Å; V83-E109 HydrophobicContact CB-CB 4.41Å; V83-E109 PolarHBondContact O-N 2.88Å; V83-L179 WeakPolarHBondContact CG2-O 3.25Å; V83-I201 HydrophobicContact CG2-CB 4.31Å; V83-I201 HydrophobicContact CG2-CG2 3.83Å; V83-I201 WeakPolarHBondContact CG2-O 3.37Å; V83-I201 PolarHBondContact N-O 3.35Å; V83-R203 HydrophobicContact CB-CB 4.42Å; V83-R203 HydrophobicContact CG1-CB 3.65Å; V83-R203 HydrophobicContact CG2-CB 3.88Å |
| 84 | G | 93.6 | Very high | 88.8 | Confident | 16 Ų | 16 | 59.4 Ų | 59.4 | 17% | 0.165 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 168.4 | -174.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | N107 I201 | G84-N107 CarbonylContact C-O 3.52Å; G84-N107 WeakPolarHBondContact CA-O 3.48Å; G84-I201 PolarHBondContact N-O 3.47Å; G84-I201 PolarHBondContact O-N 3.11Å |
| 85 | L | 95.2 | Very high | 89.2 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 40% | 0.398 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 136.3 | 176.8 | -171 | 78.7 | 0 | 0 | 0 | 109.7 | A106 N107 A199 E200 | L85-A106 CarbonylContact O-C 3.32Å; L85-A106 WeakPolarHBondContact O-CA 3.46Å; L85-N107 PolarHBondContact N-O 3.35Å; L85-N107 PolarHBondContact O-N 3.22Å; L85-A199 WeakPolarHBondContact CA-O 3.42Å; L85-A199 WeakPolarHBondContact CD1-O 3.07Å; L85-E200 HydrophobicContact CD1-CG 4.39Å |
| 86 | I | 95.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.9 | 170.8 | -171 | 161.3 | 0 | 0 | 0 | 110.3 | L88 L103 E105 A106 L167 V182 A198 A199 I201 | I86-L88 HydrophobicContact CG2-CD2 4.12Å; I86-L103 HydrophobicContact CD1-CD2 4.07Å; I86-E105 WeakPolarHBondContact CA-O 3.34Å; I86-A106 HydrophobicContact CB-CB 4.15Å; I86-A106 HydrophobicContact CD1-CB 4.07Å; I86-A106 HydrophobicContact CG1-CB 3.92Å; I86-L167 HydrophobicContact CD1-CD1 4.1Å; I86-L167 HydrophobicContact CG2-CD1 4.41Å; I86-V182 HydrophobicContact CG2-CB 4.46Å; I86-V182 HydrophobicContact CG2-CG2 3.6Å; I86-A198 CarbonylContact O-C 3.42Å; I86-A198 WeakPolarHBondContact O-CA 3.26Å; I86-A199 HydrophobicContact CG2-CB 4.21Å; I86-A199 PolarHBondContact N-O 3.24Å; I86-A199 PolarHBondContact O-N 2.64Å; I86-I201 HydrophobicContact CB-CD1 4.07Å; I86-I201 HydrophobicContact CB-CG1 4.06Å; I86-I201 HydrophobicContact CG2-CG1 4.04Å |
| 87 | R | 95.8 | Very high | 90.3 | Very high | 90 Ų | 90 | 62.4 Ų | 62.4 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134 | 167.9 | -86.4 | 174.3 | 71.4 | 177.1 | 6.5 | 110 | V104 E105 E196 V197 A198 | R87-V104 HydrophobicContact CB-CB 4.12Å; R87-V104 WeakPolarHBondContact O-CB 3.34Å; R87-V104 PolarHBondContact O-N 3.41Å; R87-E105 HydrophobicContact CB-CG 4.08Å; R87-E105 PolarHBondContact N-O 3.13Å; R87-E105 IonicContact NH1-OE1 3.56Å; R87-E105 PolarHBondContact NH1-OE1 3.03Å; R87-E105 PolarHBondContact O-N 3.33Å; R87-E196 IonicContact CZ-OE1 2.62Å; R87-E196 IonicContact NE-OE1 3.45Å; R87-E196 PolarHBondContact NE-OE1 2.73Å; R87-E196 IonicContact NH2-OE1 2.87Å; R87-E196 PolarHBondContact NH2-OE1 3.26Å; R87-V197 WeakPolarHBondContact CA-O 3.23Å; R87-A198 HydrophobicContact CG-CB 3.89Å |
| 88 | L | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 157.1 | 178.3 | 63.5 | 155.9 | 0 | 0 | 0 | 111.5 | I86 L90 V101 R102 L103 L165 L167 L184 E196 V197 | I86-L88 HydrophobicContact CG2-CD2 4.12Å; L88-L90 HydrophobicContact CD1-CD2 3.69Å; L88-L90 HydrophobicContact CD1-CG 4.37Å; L88-V101 HydrophobicContact CD1-CG1 4.07Å; L88-R102 CarbonylContact C-O 3.16Å; L88-R102 WeakPolarHBondContact CA-O 3.47Å; L88-R102 WeakPolarHBondContact CB-O 3.47Å; L88-L103 HydrophobicContact CB-CD2 4.02Å; L88-L103 HydrophobicContact CD1-CD2 4.41Å; L88-L165 HydrophobicContact CD1-CD2 4.16Å; L88-L167 HydrophobicContact CD1-CD1 3.88Å; L88-L167 HydrophobicContact CD2-CD1 4.22Å; L88-L184 HydrophobicContact CD1-CD1 3.94Å; L88-L184 HydrophobicContact CD2-CD1 4.41Å; L88-E196 CarbonylContact O-C 3.59Å; L88-E196 WeakPolarHBondContact O-CA 3.48Å; L88-V197 HydrophobicContact CD2-CB 4.19Å; L88-V197 WeakPolarHBondContact CD2-O 3.45Å; L88-V197 HydrophobicContact CG-CB 4.31Å; L88-V197 PolarHBondContact N-O 2.8Å; L88-V197 PolarHBondContact O-N 3.14Å |
| 89 | R | 95.6 | Very high | 92.6 | Very high | 115 Ų | 115 | 57.4 Ų | 57.4 | 43% | 0.434 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 133.9 | 171.8 | -64.8 | 178.1 | 176.1 | 169.7 | 0.2 | 110.3 | R102 V104 I195 E196 | R89-R102 HydrophobicContact CB-CB 4.23Å; R89-R102 PolarHBondContact N-O 3.01Å; R89-R102 PolarHBondContact O-N 2.78Å; R89-V104 HydrophobicContact CG-CG2 4.21Å; R89-I195 CarbonylContact C-O 3.58Å; R89-I195 VanDerWaalsContact CA-O 3.28Å; R89-I195 WeakPolarHBondContact CA-O 3.47Å; R89-E196 HydrophobicContact CG-CB 4.12Å; R89-E196 HydrophobicContact CG-CG 3.87Å; R89-E196 IonicContact CZ-OE2 3.33Å; R89-E196 IonicContact NE-OE2 3.85Å; R89-E196 PolarHBondContact NE-OE2 2.75Å; R89-E196 IonicContact NH2-OE2 3.14Å; R89-E196 PolarHBondContact NH2-OE2 2.9Å |
| 90 | L | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.4 | 178.2 | -56.6 | -174.9 | 0 | 0 | 0 | 108.5 | L88 F99 V101 L165 L184 L186 N189 P191 D194 I195 V197 | L88-L90 HydrophobicContact CD1-CD2 3.69Å; L88-L90 HydrophobicContact CD1-CG 4.37Å; L90-F99 HydrophobicContact CB-CE2 4.22Å; L90-F99 HydrophobicContact CD2-CE2 4.09Å; L90-F99 HydrophobicContact CD2-CZ 3.87Å; L90-V101 HydrophobicContact CD2-CB 4.41Å; L90-V101 HydrophobicContact CD2-CG1 4.09Å; L90-V101 HydrophobicContact CD2-CG2 4.03Å; L90-L165 HydrophobicContact CD2-CD2 3.69Å; L90-L184 HydrophobicContact CD1-CD1 4.01Å; L90-L186 HydrophobicContact CD1-CD2 4.19Å; L90-N189 HydrophobicContact CD1-CB 4.01Å; L90-P191 HydrophobicContact CB-CB 4.28Å; L90-P191 HydrophobicContact CB-CG 4.46Å; L90-D194 CarbonylContact O-C 3.42Å; L90-D194 WeakPolarHBondContact O-CA 3.38Å; L90-I195 HydrophobicContact CB-CD1 4.43Å; L90-I195 HydrophobicContact CB-CG1 3.87Å; L90-I195 HydrophobicContact CD1-CD1 4.27Å; L90-I195 HydrophobicContact CG-CG1 4.49Å; L90-I195 PolarHBondContact N-O 3.21Å; L90-I195 PolarHBondContact O-N 3.24Å; L90-V197 HydrophobicContact CD1-CG2 4.11Å; L90-V197 HydrophobicContact CG-CG2 4.4Å |
| 91 | S | 95.4 | Very high | 94.3 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 10% | 0.098 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 151.1 | 179.8 | 56.6 | 0 | 0 | 0 | 0 | 110.5 | V100 P191 | S91-V100 PolarHBondContact N-O 2.62Å; S91-V100 PolarHBondContact O-N 2.97Å; S91-V100 PolarHBondContact OG-O 2.88Å; S91-P191 CarbonylContact C-O 3.58Å; S91-P191 VanDerWaalsContact CA-O 3.25Å; S91-P191 WeakPolarHBondContact CA-O 3.44Å |
| 92 | Y | 96.2 | Very high | 94.8 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 8% | 0.082 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 125.4 | 175.6 | -166.3 | -96.7 | 0 | 0 | 0 | 111.3 | F94 S97 F99 I155 P156 I157 L160 P191 | Y92-F94 AromaticContact CD1-CD1 3.79Å; Y92-F94 HydrophobicContact CD1-CD1 3.79Å; Y92-F94 HydrophobicContact CD1-CD2 4.04Å; Y92-F94 AromaticContact CD1-CE1 3.89Å; Y92-F94 HydrophobicContact CD1-CE1 3.89Å; Y92-F94 HydrophobicContact CD1-CE2 4.14Å; Y92-F94 AromaticContact CD1-CG 3.88Å; Y92-F94 HydrophobicContact CD1-CG 3.88Å; Y92-F94 HydrophobicContact CD1-CZ 4.07Å; Y92-F94 AromaticContact CE1-CD1 3.87Å; Y92-F94 HydrophobicContact CE1-CD1 3.87Å; Y92-F94 HydrophobicContact CE1-CE1 4.19Å; Y92-F94 HydrophobicContact CE1-CG 4.22Å; Y92-F94 PolarHBondContact O-N 2.63Å; Y92-S97 WeakPolarHBondContact OH-CA 3.48Å; Y92-S97 WeakPolarHBondContact OH-CB 3.36Å; Y92-F99 HydrophobicContact CD2-CB 4.11Å; Y92-F99 HydrophobicContact CE2-CB 4.35Å; Y92-I155 VanDerWaalsContact CE2-O 3.26Å; Y92-I155 WeakPolarHBondContact CE2-O 3.21Å; Y92-I155 PolarHBondContact OH-O 3.31Å; Y92-P156 WeakPolarHBondContact OH-CA 3.44Å; Y92-I157 HydrophobicContact CD1-CB 4.26Å; Y92-I157 HydrophobicContact CD1-CD1 4.07Å; Y92-I157 HydrophobicContact CD1-CG1 4.45Å; Y92-I157 HydrophobicContact CD2-CD1 3.93Å; Y92-I157 HydrophobicContact CE1-CB 3.74Å; Y92-I157 HydrophobicContact CE1-CD1 4.35Å; Y92-I157 HydrophobicContact CE1-CG1 4.41Å; Y92-I157 HydrophobicContact CE2-CB 4.31Å; Y92-I157 HydrophobicContact CE2-CD1 4.22Å; Y92-I157 HydrophobicContact CG-CD1 3.85Å; Y92-I157 PolarHBondContact OH-N 2.87Å; Y92-L160 HydrophobicContact CD2-CD2 3.54Å; Y92-L160 HydrophobicContact CE2-CD2 3.86Å; Y92-P191 PolarHBondContact N-O 3.08Å |
| 93 | D | 95 | Very high | 95 | Very high | 55 Ų | 55 | 46.4 Ų | 46.4 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 98.4 | 172.3 | -176.1 | -20.1 | 0 | 0 | 0 | 109.2 | G95 R96 S97 D98 | D93-G95 PolarHBondContact O-N 2.92Å; D93-G95 WeakPolarHBondContact OD1-CA 3.23Å; D93-G95 PolarHBondContact OD1-N 3.4Å; D93-R96 HydrophobicContact CB-CB 4.37Å; D93-R96 PolarHBondContact O-N 3.45Å; D93-R96 PolarHBondContact OD1-N 2.91Å; D93-R96 VanDerWaalsContact OD1-N 3.1Å; D93-R96 VanDerWaalsContact OD2-CD 3.26Å; D93-R96 WeakPolarHBondContact OD2-CD 3.45Å; D93-R96 WeakPolarHBondContact OD2-CG 2.98Å; D93-R96 IonicContact OD2-NE 3.81Å; D93-S97 WeakPolarHBondContact O-CA 3.33Å; D93-S97 PolarHBondContact O-N 3.25Å; D93-D98 HydrophobicContact CB-CB 4.33Å; D93-D98 PolarHBondContact N-O 3.34Å; D93-D98 PolarHBondContact O-N 2.8Å |
| 94 | F | 93.3 | Very high | 95.1 | Very high | 125 Ų | 125 | 47.9 Ų | 47.9 | 55% | 0.548 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -26.8 | 178 | -71.7 | -83.2 | 0 | 0 | 0 | 113.8 | Y92 I157 | Y92-F94 AromaticContact CD1-CD1 3.79Å; Y92-F94 HydrophobicContact CD1-CD1 3.79Å; Y92-F94 HydrophobicContact CD1-CD2 4.04Å; Y92-F94 AromaticContact CD1-CE1 3.89Å; Y92-F94 HydrophobicContact CD1-CE1 3.89Å; Y92-F94 HydrophobicContact CD1-CE2 4.14Å; Y92-F94 AromaticContact CD1-CG 3.88Å; Y92-F94 HydrophobicContact CD1-CG 3.88Å; Y92-F94 HydrophobicContact CD1-CZ 4.07Å; Y92-F94 AromaticContact CE1-CD1 3.87Å; Y92-F94 HydrophobicContact CE1-CD1 3.87Å; Y92-F94 HydrophobicContact CE1-CE1 4.19Å; Y92-F94 HydrophobicContact CE1-CG 4.22Å; Y92-F94 PolarHBondContact O-N 2.63Å; F94-I157 HydrophobicContact CE1-CB 4.38Å; F94-I157 HydrophobicContact CE1-CG1 4.2Å; F94-I157 HydrophobicContact CE1-CG2 4.29Å |
| 95 | G | 93.8 | Very high | 95.2 | Very high | 75 Ų | 75 | 49.7 Ų | 49.7 | 77% | 0.773 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -32.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D93 | D93-G95 PolarHBondContact O-N 2.92Å; D93-G95 WeakPolarHBondContact OD1-CA 3.23Å; D93-G95 PolarHBondContact OD1-N 3.4Å |
| 96 | R | 93.1 | Very high | 95.2 | Very high | 172 Ų | 172 | 46.1 Ų | 46.1 | 65% | 0.649 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.6 | -10.9 | -179.8 | -61 | -176.8 | -171.5 | -140.1 | -2.4 | 114.2 | D93 D98 | D93-R96 HydrophobicContact CB-CB 4.37Å; D93-R96 PolarHBondContact O-N 3.45Å; D93-R96 PolarHBondContact OD1-N 2.91Å; D93-R96 VanDerWaalsContact OD1-N 3.1Å; D93-R96 VanDerWaalsContact OD2-CD 3.26Å; D93-R96 WeakPolarHBondContact OD2-CD 3.45Å; D93-R96 WeakPolarHBondContact OD2-CG 2.98Å; D93-R96 IonicContact OD2-NE 3.81Å; R96-D98 HydrophobicContact CB-CB 4.16Å; R96-D98 PolarHBondContact O-N 3.25Å |
| 97 | S | 93.5 | Very high | 95.1 | Very high | 55 Ų | 55 | 49.7 Ų | 49.7 | 39% | 0.385 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.9 | 41.7 | -167.2 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | Y92 D93 I155 | Y92-S97 WeakPolarHBondContact OH-CA 3.48Å; Y92-S97 WeakPolarHBondContact OH-CB 3.36Å; D93-S97 WeakPolarHBondContact O-CA 3.33Å; D93-S97 PolarHBondContact O-N 3.25Å; S97-I155 CarbonylContact O-C 3.53Å; S97-I155 PolarHBondContact O-N 2.91Å; S97-I155 VanDerWaalsContact O-O 3.05Å |
| 98 | D | 94.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 45.5 Ų | 45.5 | 13% | 0.134 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 123.7 | -178.8 | -82 | -20.5 | 0 | 0 | 0 | 110.5 | D93 R96 V100 F153 P154 | D93-D98 HydrophobicContact CB-CB 4.33Å; D93-D98 PolarHBondContact N-O 3.34Å; D93-D98 PolarHBondContact O-N 2.8Å; R96-D98 HydrophobicContact CB-CB 4.16Å; R96-D98 PolarHBondContact O-N 3.25Å; D98-V100 HydrophobicContact CB-CG2 4.4Å; D98-F153 WeakPolarHBondContact CA-O 3.41Å; D98-P154 WeakPolarHBondContact OD1-CA 3.46Å |
| 99 | F | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 125.7 | 162.3 | 172.2 | -133 | 0 | 0 | 0 | 109.9 | L90 Y92 V101 L122 K152 F153 I155 L160 L165 L186 P191 | L90-F99 HydrophobicContact CB-CE2 4.22Å; L90-F99 HydrophobicContact CD2-CE2 4.09Å; L90-F99 HydrophobicContact CD2-CZ 3.87Å; Y92-F99 HydrophobicContact CD2-CB 4.11Å; Y92-F99 HydrophobicContact CE2-CB 4.35Å; F99-V101 HydrophobicContact CD1-CG2 4.03Å; F99-V101 HydrophobicContact CE1-CG2 3.32Å; F99-V101 HydrophobicContact CE2-CG2 3.98Å; F99-V101 HydrophobicContact CZ-CG2 3.33Å; F99-L122 HydrophobicContact CD1-CD1 4.2Å; F99-L122 HydrophobicContact CD1-CD2 4.02Å; F99-L122 HydrophobicContact CE1-CD2 3.78Å; F99-K152 CarbonylContact O-C 3.54Å; F99-K152 VanDerWaalsContact O-CA 3.3Å; F99-K152 WeakPolarHBondContact O-CA 3.43Å; F99-F153 HydrophobicContact CB-CB 4.28Å; F99-F153 HydrophobicContact CD1-CB 4.35Å; F99-F153 AromaticContact CD1-CD2 3.62Å; F99-F153 HydrophobicContact CD1-CD2 3.62Å; F99-F153 HydrophobicContact CD1-CE2 4.37Å; F99-F153 HydrophobicContact CD1-CG 4.35Å; F99-F153 HydrophobicContact CE1-CD2 4.18Å; F99-F153 PolarHBondContact N-O 3.07Å; F99-F153 PolarHBondContact O-N 3.4Å; F99-I155 HydrophobicContact CB-CG2 3.96Å; F99-L160 HydrophobicContact CB-CD1 3.88Å; F99-L160 HydrophobicContact CB-CD2 3.79Å; F99-L160 HydrophobicContact CD1-CD1 3.71Å; F99-L160 HydrophobicContact CD2-CD1 4.37Å; F99-L160 HydrophobicContact CD2-CD2 3.87Å; F99-L160 HydrophobicContact CE1-CD1 4.28Å; F99-L160 HydrophobicContact CG-CD1 3.73Å; F99-L160 HydrophobicContact CG-CD2 3.86Å; F99-L160 HydrophobicContact CG-CG 4.46Å; F99-L165 HydrophobicContact CE1-CD1 4.25Å; F99-L165 HydrophobicContact CE1-CD2 4.36Å; F99-L165 HydrophobicContact CZ-CD2 4.05Å; F99-L186 HydrophobicContact CE1-CD1 4.08Å; F99-L186 HydrophobicContact CZ-CD1 4.15Å; F99-L186 HydrophobicContact CZ-CD2 4.01Å; F99-P191 HydrophobicContact CD2-CB 3.76Å; F99-P191 HydrophobicContact CD2-CG 3.88Å; F99-P191 HydrophobicContact CE2-CB 3.63Å; F99-P191 HydrophobicContact CE2-CG 3.47Å; F99-P191 VanDerWaalsContact CE2-CG 3.47Å; F99-P191 HydrophobicContact CZ-CG 4.26Å |
| 100 | V | 96.3 | Very high | 94.1 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 5% | 0.048 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 116.7 | -174.9 | -173.7 | 0 | 0 | 0 | 0 | 110.2 | S91 D98 P150 V151 K152 | S91-V100 PolarHBondContact N-O 2.62Å; S91-V100 PolarHBondContact O-N 2.97Å; S91-V100 PolarHBondContact OG-O 2.88Å; D98-V100 HydrophobicContact CB-CG2 4.4Å; V100-P150 HydrophobicContact CG1-CB 3.98Å; V100-V151 WeakPolarHBondContact CA-O 3.45Å; V100-K152 HydrophobicContact CG1-CG 4.41Å; V100-K152 HydrophobicContact CG2-CD 4.42Å; V100-K152 HydrophobicContact CG2-CG 4.17Å |
| 101 | V | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 118.6 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 108.8 | L88 L90 F99 L103 V120 P150 V151 F153 L165 | L88-V101 HydrophobicContact CD1-CG1 4.07Å; L90-V101 HydrophobicContact CD2-CB 4.41Å; L90-V101 HydrophobicContact CD2-CG1 4.09Å; L90-V101 HydrophobicContact CD2-CG2 4.03Å; F99-V101 HydrophobicContact CD1-CG2 4.03Å; F99-V101 HydrophobicContact CE1-CG2 3.32Å; F99-V101 HydrophobicContact CE2-CG2 3.98Å; F99-V101 HydrophobicContact CZ-CG2 3.33Å; V101-L103 HydrophobicContact CG1-CD2 4.1Å; V101-V120 HydrophobicContact CB-CG1 4.35Å; V101-V120 HydrophobicContact CG1-CG1 4.21Å; V101-V120 HydrophobicContact CG2-CG1 4.27Å; V101-P150 WeakPolarHBondContact O-CA 3.05Å; V101-V151 HydrophobicContact CB-CB 4.33Å; V101-V151 PolarHBondContact N-O 2.83Å; V101-V151 PolarHBondContact O-N 3.16Å; V101-F153 HydrophobicContact CG2-CD2 4.45Å; V101-F153 HydrophobicContact CG2-CE2 4.1Å; V101-L165 HydrophobicContact CG1-CD2 4.28Å; V101-L165 HydrophobicContact CG2-CD1 4.26Å; V101-L165 HydrophobicContact CG2-CD2 3.98Å |
| 102 | R | 96.5 | Very high | 93.2 | Very high | 111 Ų | 111 | 57 Ų | 57 | 42% | 0.419 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 107.3 | 170.7 | -75 | -176.9 | -169.3 | 99.8 | -3.5 | 109.3 | L88 R89 V104 P150 | L88-R102 CarbonylContact C-O 3.16Å; L88-R102 WeakPolarHBondContact CA-O 3.47Å; L88-R102 WeakPolarHBondContact CB-O 3.47Å; R89-R102 HydrophobicContact CB-CB 4.23Å; R89-R102 PolarHBondContact N-O 3.01Å; R89-R102 PolarHBondContact O-N 2.78Å; R102-V104 PolarHBondContact O-N 3.47Å; R102-P150 HydrophobicContact CG-CB 3.76Å |
| 103 | L | 95.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 130.4 | 165.8 | -52.5 | -179.9 | 0 | 0 | 0 | 107.2 | I86 L88 V101 V118 V120 V134 F147 L167 | I86-L103 HydrophobicContact CD1-CD2 4.07Å; L88-L103 HydrophobicContact CB-CD2 4.02Å; L88-L103 HydrophobicContact CD1-CD2 4.41Å; V101-L103 HydrophobicContact CG1-CD2 4.1Å; L103-V118 HydrophobicContact CD1-CB 3.69Å; L103-V118 HydrophobicContact CD1-CG1 3.67Å; L103-V118 HydrophobicContact CD1-CG2 4Å; L103-V120 HydrophobicContact CD1-CG2 4.24Å; L103-V134 HydrophobicContact CD1-CB 4.34Å; L103-V134 HydrophobicContact CD1-CG2 4.46Å; L103-F147 HydrophobicContact CB-CB 3.65Å; L103-F147 HydrophobicContact CB-CD1 4.31Å; L103-F147 HydrophobicContact CB-CD2 3.69Å; L103-F147 HydrophobicContact CB-CE2 4.43Å; L103-F147 HydrophobicContact CB-CG 3.62Å; L103-F147 HydrophobicContact CD1-CD1 4.09Å; L103-F147 HydrophobicContact CD1-CE1 4.28Å; L103-F147 HydrophobicContact CD1-CG 4.24Å; L103-F147 WeakPolarHBondContact O-CB 3.47Å; L103-L167 HydrophobicContact CD2-CD1 4.14Å; L103-L167 HydrophobicContact CD2-CD2 4.31Å |
| 104 | V | 94.4 | Very high | 92.6 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 26% | 0.261 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | -65.3 | -179.2 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | R87 R89 R102 F147 | R87-V104 HydrophobicContact CB-CB 4.12Å; R87-V104 WeakPolarHBondContact O-CB 3.34Å; R87-V104 PolarHBondContact O-N 3.41Å; R89-V104 HydrophobicContact CG-CG2 4.21Å; R102-V104 PolarHBondContact O-N 3.47Å; V104-F147 PolarHBondContact O-N 3.44Å |
| 105 | E | 95.1 | Very high | 92.5 | Very high | 55 Ų | 55 | 56.3 Ų | 56.3 | 26% | 0.257 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 152.8 | 179.2 | 62.1 | -178.8 | 168.6 | 0 | 0 | 110.9 | I86 R87 N144 F145 | I86-E105 WeakPolarHBondContact CA-O 3.34Å; R87-E105 HydrophobicContact CB-CG 4.08Å; R87-E105 PolarHBondContact N-O 3.13Å; R87-E105 IonicContact NH1-OE1 3.56Å; R87-E105 PolarHBondContact NH1-OE1 3.03Å; R87-E105 PolarHBondContact O-N 3.33Å; E105-N144 HydrophobicContact CB-CB 4.33Å; E105-N144 PolarHBondContact OE2-ND2 2.95Å; E105-F145 CarbonylContact C-O 3.58Å; E105-F145 WeakPolarHBondContact CA-O 3.26Å; E105-F145 WeakPolarHBondContact CB-O 3.28Å |
| 106 | A | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 133.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L85 I86 N144 F145 F147 L169 I201 | L85-A106 CarbonylContact O-C 3.32Å; L85-A106 WeakPolarHBondContact O-CA 3.46Å; I86-A106 HydrophobicContact CB-CB 4.15Å; I86-A106 HydrophobicContact CD1-CB 4.07Å; I86-A106 HydrophobicContact CG1-CB 3.92Å; A106-N144 CarbonylContact O-C 3.59Å; A106-N144 WeakPolarHBondContact O-CA 3.49Å; A106-F145 HydrophobicContact CB-CB 4.45Å; A106-F145 PolarHBondContact N-O 2.72Å; A106-F145 WeakPolarHBondContact O-CD2 3.2Å; A106-F145 PolarHBondContact O-N 3.06Å; A106-F147 HydrophobicContact CB-CE2 3.76Å; A106-F147 HydrophobicContact CB-CZ 4.31Å; A106-L169 HydrophobicContact CB-CD2 4.21Å; A106-I201 HydrophobicContact CB-CD1 4.49Å |
| 107 | N | 94.3 | Very high | 92 | Very high | 76 Ų | 76 | 47.1 Ų | 47.1 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 126.9 | 165.4 | -176 | 8.3 | 0 | 0 | 0 | 107.9 | G84 L85 I201 | G84-N107 CarbonylContact C-O 3.52Å; G84-N107 WeakPolarHBondContact CA-O 3.48Å; L85-N107 PolarHBondContact N-O 3.35Å; L85-N107 PolarHBondContact O-N 3.22Å; N107-I201 WeakPolarHBondContact O-CD1 3.38Å |
| 108 | V | 92 | Very high | 91.8 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 143.3 | -177.2 | 64.1 | 0 | 0 | 0 | 0 | 110.7 | V83 R138 F145 L169 L179 I201 | V83-V108 HydrophobicContact CG2-CG2 4.23Å; V83-V108 WeakPolarHBondContact O-CA 3.28Å; V108-R138 PolarHBondContact O-NH2 3.5Å; V108-F145 HydrophobicContact CG1-CD2 4.13Å; V108-F145 HydrophobicContact CG1-CE2 3.65Å; V108-L169 HydrophobicContact CB-CD2 4.47Å; V108-L169 HydrophobicContact CG1-CD2 4.39Å; V108-L179 HydrophobicContact CG1-CD1 3.98Å; V108-L179 HydrophobicContact CG2-CB 3.9Å; V108-I201 HydrophobicContact CB-CD1 4.02Å; V108-I201 HydrophobicContact CG2-CD1 4.31Å; V108-I201 HydrophobicContact CG2-CG2 4.3Å |
| 109 | E | 88.4 | Confident | 91.4 | Very high | 117 Ų | 117 | 43.9 Ų | 43.9 | 55% | 0.547 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -82.6 | 145.6 | 171.9 | -66.7 | -173.3 | 173.9 | 0 | 0 | 112 | V83 | V83-E109 HydrophobicContact CB-CB 4.41Å; V83-E109 PolarHBondContact O-N 2.88Å |
| 110 | P | 85.9 | Confident | 91.1 | Very high | 47 Ų | 47 | 43.9 Ų | 43.9 | 31% | 0.305 | 22% | 0.224 | S | C | . | . | S | Bend | cis | -79.8 | 154.6 | 2.2 | 30.9 | -31.2 | 0 | 0 | 0 | 113.3 | D112 V113 | P110-D112 WeakPolarHBondContact CB-OD1 3.24Å; P110-D112 WeakPolarHBondContact CG-OD1 3.23Å; P110-D112 PolarHBondContact O-N 3.19Å; P110-V113 HydrophobicContact CG-CG2 3.82Å; P110-V113 WeakPolarHBondContact O-CG2 3.49Å; P110-V113 PolarHBondContact O-N 3.4Å |
| 111 | A | 86.5 | Confident | 90.6 | Very high | 83 Ų | 83 | 43.5 Ų | 43.5 | 69% | 0.686 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -10.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R138 | A111-R138 VanDerWaalsContact C-NH1 3.28Å; A111-R138 PolarHBondContact O-NH1 3.19Å |
| 112 | D | 86.6 | Confident | 90.1 | Very high | 123 Ų | 123 | 43.5 Ų | 43.5 | 66% | 0.658 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.3 | -7.8 | 176.3 | 63.1 | -21.6 | 0 | 0 | 0 | 113.3 | P110 M114 | P110-D112 WeakPolarHBondContact CB-OD1 3.24Å; P110-D112 WeakPolarHBondContact CG-OD1 3.23Å; P110-D112 PolarHBondContact O-N 3.19Å; D112-M114 PolarHBondContact O-N 3.32Å; D112-M114 VanDerWaalsContact O-N 3.17Å |
| 113 | V | 88 | Confident | 89.1 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 9% | 0.085 | 20% | 0.204 | C | C | . | . | trans | -68 | 114.7 | 175.5 | -175.7 | 0 | 0 | 0 | 0 | 110 | P110 R115 R138 F145 L179 | P110-V113 HydrophobicContact CG-CG2 3.82Å; P110-V113 WeakPolarHBondContact O-CG2 3.49Å; P110-V113 PolarHBondContact O-N 3.4Å; V113-R115 WeakPolarHBondContact CG1-O 3.47Å; V113-R138 VanDerWaalsContact O-CZ 3.32Å; V113-R138 PolarHBondContact O-NE 3.37Å; V113-F145 HydrophobicContact CB-CZ 4.25Å; V113-F145 HydrophobicContact CG1-CZ 3.84Å; V113-F145 VanDerWaalsContact O-CZ 3.26Å; V113-F145 WeakPolarHBondContact O-CZ 3.15Å; V113-L179 HydrophobicContact CG1-CD1 4.01Å; V113-L179 HydrophobicContact CG2-CD1 4.43Å; V113-L179 HydrophobicContact CG2-CD2 3.87Å | ||
| 114 | M | 90.2 | Very high | 88.2 | Confident | 69 Ų | 69 | 42 Ų | 42 | 34% | 0.34 | 22% | 0.222 | S | C | . | . | trans | -97.5 | -24.5 | 179.3 | -67 | -56.3 | -62.5 | 0 | 0 | 114 | D112 V137 R138 | D112-M114 PolarHBondContact O-N 3.32Å; D112-M114 VanDerWaalsContact O-N 3.17Å; M114-V137 CarbonylContact O-C 3.58Å; M114-V137 WeakPolarHBondContact O-CA 3.43Å; M114-R138 HydrophobicContact CE-CB 4.15Å; M114-R138 VanDerWaalsContact CE-O 3.3Å; M114-R138 WeakPolarHBondContact CE-O 3.35Å; M114-R138 PolarHBondContact O-N 3.09Å; M114-R138 HydrophobicContact SD-CB 4.34Å | ||
| 115 | R | 90.7 | Very high | 87 | Confident | 104 Ų | 104 | 42.6 Ų | 42.6 | 39% | 0.392 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.1 | 177.3 | -65.9 | -162.8 | -66.5 | -156.8 | -10.3 | 111.4 | V113 V137 S171 M172 E173 | V113-R115 WeakPolarHBondContact CG1-O 3.47Å; R115-V137 HydrophobicContact CG-CG1 4.38Å; R115-V137 HydrophobicContact CG-CG2 4.15Å; R115-S171 WeakPolarHBondContact O-CA 3.43Å; R115-M172 HydrophobicContact CB-CB 3.93Å; R115-M172 HydrophobicContact CB-CG 4.46Å; R115-M172 HydrophobicContact CB-SD 4.49Å; R115-M172 PolarHBondContact O-N 2.87Å; R115-E173 HydrophobicContact CB-CG 4.42Å; R115-E173 IonicContact CZ-OE1 3.26Å; R115-E173 IonicContact NE-OE1 3.64Å; R115-E173 PolarHBondContact NE-OE1 3.29Å; R115-E173 IonicContact NH1-OE1 2.73Å; R115-E173 IonicContact NH2-OE1 2.71Å; R115-E173 PolarHBondContact NH2-OE1 2.63Å |
| 116 | C | 88 | Confident | 85.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 132.2 | -179.3 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | E135 A136 F145 I170 | C116-E135 WeakPolarHBondContact O-CA 3.37Å; C116-A136 PolarHBondContact N-O 3.4Å; C116-A136 PolarHBondContact O-N 2.74Å; C116-F145 HydrophobicContact CB-CD1 3.72Å; C116-F145 HydrophobicContact CB-CD2 4.01Å; C116-F145 HydrophobicContact CB-CE1 3.47Å; C116-F145 VanDerWaalsContact CB-CE1 3.47Å; C116-F145 HydrophobicContact CB-CE2 3.77Å; C116-F145 HydrophobicContact CB-CG 3.99Å; C116-F145 HydrophobicContact CB-CZ 3.52Å; C116-I170 CarbonylContact C-O 3.59Å; C116-I170 VanDerWaalsContact CA-O 3.27Å; C116-I170 WeakPolarHBondContact CA-O 3.24Å |
| 117 | R | 87.6 | Confident | 83.1 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 131.8 | 164.8 | 177.3 | -176.8 | -70.8 | 164.7 | -1.3 | 108.3 | V119 N133 V134 E135 I170 M172 | R117-V119 HydrophobicContact CG-CG2 4.37Å; R117-N133 HydrophobicContact CG-CB 4.27Å; R117-V134 CarbonylContact C-O 3.38Å; R117-V134 WeakPolarHBondContact CA-O 3.49Å; R117-E135 HydrophobicContact CB-CG 4.12Å; R117-E135 HydrophobicContact CG-CG 4.1Å; R117-E135 IonicContact CZ-OE1 3.56Å; R117-E135 IonicContact NE-OE1 2.78Å; R117-E135 PolarHBondContact NE-OE1 3.25Å; R117-E135 IonicContact NH2-OE1 2.66Å; R117-E135 PolarHBondContact NH2-OE1 3.12Å; R117-I170 HydrophobicContact CB-CB 4.21Å; R117-I170 HydrophobicContact CB-CG2 4.44Å; R117-I170 PolarHBondContact N-O 3.01Å; R117-I170 WeakPolarHBondContact O-CB 3.41Å; R117-I170 PolarHBondContact O-N 2.84Å; R117-M172 HydrophobicContact CB-CG 4.1Å; R117-M172 HydrophobicContact CB-SD 3.95Å |
| 118 | V | 89.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 118.5 | 170.4 | -171.7 | 0 | 0 | 0 | 0 | 108.4 | L103 V120 N133 V134 F147 L167 N168 L169 | L103-V118 HydrophobicContact CD1-CB 3.69Å; L103-V118 HydrophobicContact CD1-CG1 3.67Å; L103-V118 HydrophobicContact CD1-CG2 4Å; V118-V120 HydrophobicContact CG1-CG2 4.18Å; V118-N133 WeakPolarHBondContact O-CA 3.21Å; V118-V134 PolarHBondContact N-O 2.94Å; V118-V134 PolarHBondContact O-N 2.87Å; V118-F147 HydrophobicContact CB-CE1 4.42Å; V118-F147 HydrophobicContact CG2-CE1 3.5Å; V118-F147 VanDerWaalsContact CG2-CE1 3.5Å; V118-F147 HydrophobicContact CG2-CE2 4.5Å; V118-F147 HydrophobicContact CG2-CZ 3.46Å; V118-F147 VanDerWaalsContact CG2-CZ 3.46Å; V118-L167 HydrophobicContact CG1-CB 4.17Å; V118-N168 CarbonylContact C-O 3.53Å; V118-N168 VanDerWaalsContact CA-O 3.29Å; V118-N168 WeakPolarHBondContact CA-O 3.25Å; V118-L169 HydrophobicContact CG2-CG 4.1Å |
| 119 | V | 86.7 | Confident | 80.6 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 7% | 0.073 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 118.1 | 169.6 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | R117 S131 R132 N133 L167 N168 I170 T211 | R117-V119 HydrophobicContact CG-CG2 4.37Å; V119-S131 WeakPolarHBondContact CG1-OG 3.06Å; V119-R132 CarbonylContact C-O 3.54Å; V119-R132 WeakPolarHBondContact CA-O 3.22Å; V119-N133 HydrophobicContact CG2-CB 4.44Å; V119-L167 WeakPolarHBondContact O-CA 3.34Å; V119-N168 HydrophobicContact CB-CB 4.33Å; V119-N168 PolarHBondContact N-O 2.75Å; V119-N168 PolarHBondContact O-N 3.4Å; V119-I170 HydrophobicContact CG2-CD1 3.91Å; V119-T211 HydrophobicContact CB-CG2 3.29Å; V119-T211 HydrophobicContact CG1-CG2 3.72Å; V119-T211 HydrophobicContact CG2-CG2 3.37Å |
| 120 | V | 89.6 | Confident | 79.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 115.8 | -179.5 | -173.3 | 0 | 0 | 0 | 0 | 107.1 | V101 L103 V118 S131 R132 V151 F153 L165 H166 L167 | V101-V120 HydrophobicContact CB-CG1 4.35Å; V101-V120 HydrophobicContact CG1-CG1 4.21Å; V101-V120 HydrophobicContact CG2-CG1 4.27Å; L103-V120 HydrophobicContact CD1-CG2 4.24Å; V118-V120 HydrophobicContact CG1-CG2 4.18Å; V120-S131 WeakPolarHBondContact O-CA 3.12Å; V120-R132 PolarHBondContact N-O 2.93Å; V120-R132 PolarHBondContact O-N 3.22Å; V120-V151 HydrophobicContact CB-CG1 4.34Å; V120-V151 HydrophobicContact CB-CG2 4.45Å; V120-V151 HydrophobicContact CG1-CG1 4.33Å; V120-V151 HydrophobicContact CG2-CG2 4.06Å; V120-F153 HydrophobicContact CB-CZ 4.18Å; V120-F153 HydrophobicContact CG1-CE2 3.74Å; V120-F153 HydrophobicContact CG1-CZ 3.72Å; V120-F153 WeakPolarHBondContact O-CZ 2.92Å; V120-L165 HydrophobicContact CG1-CD1 3.56Å; V120-H166 WeakPolarHBondContact CA-O 3.36Å; V120-L167 HydrophobicContact CB-CD2 4.11Å; V120-L167 HydrophobicContact CG1-CD2 3.72Å; V120-L167 HydrophobicContact CG2-CD2 3.86Å |
| 121 | S | 85.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 150.5 | -179.1 | 64.2 | 0 | 0 | 0 | 0 | 113.6 | E128 S130 H166 | S121-E128 WeakPolarHBondContact CB-OE2 3.38Å; S121-E128 PolarHBondContact OG-OE2 3Å; S121-S130 CarbonylContact C-O 3.51Å; S121-S130 WeakPolarHBondContact CA-O 3.39Å; S121-S130 VanDerWaalsContact CB-O 3.3Å; S121-S130 WeakPolarHBondContact CB-O 3.37Å; S121-H166 PolarHBondContact N-O 2.89Å; S121-H166 PolarHBondContact O-N 2.85Å |
| 122 | L | 84.1 | Confident | 79.2 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 126.2 | 173.1 | -69.2 | 178.2 | 0 | 0 | 0 | 109.5 | F99 T129 S130 F153 I155 L160 R163 K164 L165 L186 | F99-L122 HydrophobicContact CD1-CD1 4.2Å; F99-L122 HydrophobicContact CD1-CD2 4.02Å; F99-L122 HydrophobicContact CE1-CD2 3.78Å; L122-T129 PolarHBondContact O-N 3.28Å; L122-T129 PolarHBondContact O-OG1 2.82Å; L122-S130 PolarHBondContact N-O 2.91Å; L122-F153 HydrophobicContact CD1-CB 3.78Å; L122-F153 HydrophobicContact CD1-CD1 4.07Å; L122-F153 HydrophobicContact CD1-CD2 4.23Å; L122-F153 HydrophobicContact CD1-CG 3.77Å; L122-F153 HydrophobicContact CG-CD1 4.34Å; L122-F153 HydrophobicContact CG-CD2 4.41Å; L122-F153 HydrophobicContact CG-CG 4.26Å; L122-I155 HydrophobicContact CD1-CD1 4.35Å; L122-I155 HydrophobicContact CD1-CG2 4.28Å; L122-L160 HydrophobicContact CD1-CD1 4.27Å; L122-L160 HydrophobicContact CD2-CD1 4.34Å; L122-R163 HydrophobicContact CD2-CB 4.36Å; L122-K164 WeakPolarHBondContact CA-O 3.29Å; L122-L165 HydrophobicContact CD2-CB 4.48Å; L122-L165 HydrophobicContact CD2-CD1 4.26Å; L122-L186 HydrophobicContact CD2-CD1 3.8Å |
| 123 | Q | 76.8 | Confident | 79.1 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146.3 | 177.2 | -62 | -167.3 | -10.7 | 0 | 0 | 111.9 | E127 R163 K164 H166 E210 | Q123-E127 CarbonylContact C-O 3.41Å; Q123-E127 VanDerWaalsContact CA-O 3.24Å; Q123-E127 WeakPolarHBondContact CA-O 3.46Å; Q123-R163 CarbonylContact O-C 3.35Å; Q123-R163 WeakPolarHBondContact O-CA 3.23Å; Q123-R163 WeakPolarHBondContact O-CB 3.37Å; Q123-R163 WeakPolarHBondContact O-CD 3.25Å; Q123-K164 PolarHBondContact N-O 2.83Å; Q123-K164 PolarHBondContact O-N 3.38Å; Q123-H166 PolarHBondContact OE1-CE1 2.89Å; Q123-H166 VanDerWaalsContact OE1-CE1 3.32Å; Q123-H166 PolarHBondContact OE1-NE2 2.91Å; Q123-H166 VanDerWaalsContact OE1-NE2 3.13Å; Q123-E210 PolarHBondContact NE2-OE2 2.85Å |
| 124 | D | 76.6 | Confident | 79 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 40% | 0.401 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 108.5 | 168.3 | -172.8 | 2.6 | 0 | 0 | 0 | 108.2 | F126 E127 T129 R163 | D124-F126 PolarHBondContact O-N 2.93Å; D124-E127 PolarHBondContact N-O 3.32Å; D124-E127 PolarHBondContact O-N 3.4Å; D124-E127 VanDerWaalsContact O-N 3.14Å; D124-T129 HydrophobicContact CB-CG2 4.26Å; D124-R163 VanDerWaalsContact CB-CZ 3.4Å; D124-R163 IonicContact OD2-CZ 2.63Å; D124-R163 IonicContact OD2-NE 3.52Å; D124-R163 IonicContact OD2-NH1 2.72Å; D124-R163 IonicContact OD2-NH2 3.78Å; D124-R163 PolarHBondContact OD2-NH2 3.24Å |
| 125 | G | 68.8 | Low | 79 | Confident | 54 Ų | 54 | 56.6 Ų | 56.6 | 56% | 0.557 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | -116.2 | -163 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 126 | F | 56.4 | Low | 79 | Confident | 194 Ų | 194 | 52 Ų | 52 | 85% | 0.851 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | 2.1 | 178.8 | -62.1 | -79.4 | 0 | 0 | 0 | 113.1 | D124 | D124-F126 PolarHBondContact O-N 2.93Š|
| 127 | E | 52.2 | Low | 79.2 | Confident | 147 Ų | 147 | 56.7 Ų | 56.7 | 69% | 0.687 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.3 | -177.6 | -66.6 | -166.4 | 164.2 | 0 | 0 | 111.6 | Q123 D124 T129 | Q123-E127 CarbonylContact C-O 3.41Å; Q123-E127 VanDerWaalsContact CA-O 3.24Å; Q123-E127 WeakPolarHBondContact CA-O 3.46Å; D124-E127 PolarHBondContact N-O 3.32Å; D124-E127 PolarHBondContact O-N 3.4Å; D124-E127 VanDerWaalsContact O-N 3.14Å; E127-T129 PolarHBondContact O-N 2.77Å |
| 128 | E | 68.8 | Low | 79.3 | Confident | 76 Ų | 76 | 54.7 Ų | 54.7 | 36% | 0.355 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 122.3 | 167.2 | -176.4 | 177.6 | 105.8 | 0 | 0 | 110.5 | S121 S131 | S121-E128 WeakPolarHBondContact CB-OE2 3.38Å; S121-E128 PolarHBondContact OG-OE2 3Å; E128-S131 WeakPolarHBondContact OE1-CB 3.26Å |
| 129 | T | 66.1 | Low | 79.2 | Confident | 66 Ų | 66 | 57.7 Ų | 57.7 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | -25.6 | -174.4 | 56.8 | 0 | 0 | 0 | 0 | 113.6 | L122 D124 E127 R163 | L122-T129 PolarHBondContact O-N 3.28Å; L122-T129 PolarHBondContact O-OG1 2.82Å; D124-T129 HydrophobicContact CB-CG2 4.26Å; E127-T129 PolarHBondContact O-N 2.77Å; T129-R163 VanDerWaalsContact CB-NH1 3.28Å; T129-R163 PolarHBondContact OG1-NH1 2.79Å |
| 130 | S | 73.3 | Confident | 79 | Confident | 32 Ų | 32 | 64.1 Ų | 64.1 | 22% | 0.224 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 150.1 | 171.3 | 65.2 | 0 | 0 | 0 | 0 | 110.1 | S121 L122 F153 | S121-S130 CarbonylContact C-O 3.51Å; S121-S130 WeakPolarHBondContact CA-O 3.39Å; S121-S130 VanDerWaalsContact CB-O 3.3Å; S121-S130 WeakPolarHBondContact CB-O 3.37Å; L122-S130 PolarHBondContact N-O 2.91Å; S130-F153 WeakPolarHBondContact OG-CD1 3.27Å; S130-F153 WeakPolarHBondContact OG-CE1 3.4Å |
| 131 | S | 78.2 | Confident | 78.4 | Confident | 36 Ų | 36 | 68.3 Ų | 68.3 | 25% | 0.252 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 146.4 | -179.2 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | V119 V120 E128 | V119-S131 WeakPolarHBondContact CG1-OG 3.06Å; V120-S131 WeakPolarHBondContact O-CA 3.12Å; E128-S131 WeakPolarHBondContact OE1-CB 3.26Å |
| 132 | R | 79.1 | Confident | 78.1 | Confident | 114 Ų | 114 | 69.8 Ų | 69.8 | 43% | 0.43 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 154.9 | -179.2 | -64.5 | -68.8 | -175.4 | -90.6 | -0.6 | 108.6 | V119 V120 V151 F153 | V119-R132 CarbonylContact C-O 3.54Å; V119-R132 WeakPolarHBondContact CA-O 3.22Å; V120-R132 PolarHBondContact N-O 2.93Å; V120-R132 PolarHBondContact O-N 3.22Å; R132-V151 HydrophobicContact CB-CG1 3.34Å; R132-V151 HydrophobicContact CB-CG2 4.48Å; R132-V151 HydrophobicContact CG-CG1 3.56Å; R132-F153 HydrophobicContact CB-CE1 4.29Å; R132-F153 HydrophobicContact CB-CZ 4.22Å; R132-F153 HydrophobicContact CG-CD1 4.34Å; R132-F153 HydrophobicContact CG-CE1 3.67Å; R132-F153 HydrophobicContact CG-CZ 4Å |
| 133 | N | 84.2 | Confident | 78.2 | Confident | 102 Ų | 102 | 72.9 Ų | 72.9 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.1 | -179.1 | 39.8 | 18.2 | 0 | 0 | 0 | 111 | R117 V118 V119 | R117-N133 HydrophobicContact CG-CB 4.27Å; V118-N133 WeakPolarHBondContact O-CA 3.21Å; V119-N133 HydrophobicContact CG2-CB 4.44Å |
| 134 | V | 85.9 | Confident | 78.9 | Confident | 7 Ų | 7 | 74.7 Ų | 74.7 | 4% | 0.042 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 139.9 | 170.3 | -169.5 | 0 | 0 | 0 | 0 | 107.6 | L103 R117 V118 F147 Q149 V151 | L103-V134 HydrophobicContact CD1-CB 4.34Å; L103-V134 HydrophobicContact CD1-CG2 4.46Å; R117-V134 CarbonylContact C-O 3.38Å; R117-V134 WeakPolarHBondContact CA-O 3.49Å; V118-V134 PolarHBondContact N-O 2.94Å; V118-V134 PolarHBondContact O-N 2.87Å; V134-F147 HydrophobicContact CB-CD1 4.4Å; V134-F147 HydrophobicContact CG1-CD1 3.85Å; V134-Q149 HydrophobicContact CG1-CB 4.38Å; V134-V151 HydrophobicContact CG2-CG2 3.19Å |
| 135 | E | 90.6 | Very high | 79.7 | Confident | 105 Ų | 105 | 71.1 Ų | 71.1 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 143.6 | 178.8 | -61.6 | -179 | 174 | 0 | 0 | 109.2 | C116 R117 M172 | C116-E135 WeakPolarHBondContact O-CA 3.37Å; R117-E135 HydrophobicContact CB-CG 4.12Å; R117-E135 HydrophobicContact CG-CG 4.1Å; R117-E135 IonicContact CZ-OE1 3.56Å; R117-E135 IonicContact NE-OE1 2.78Å; R117-E135 PolarHBondContact NE-OE1 3.25Å; R117-E135 IonicContact NH2-OE1 2.66Å; R117-E135 PolarHBondContact NH2-OE1 3.12Å; E135-M172 HydrophobicContact CB-SD 4.48Å; E135-M172 HydrophobicContact CG-SD 4.07Å |
| 136 | A | 91.5 | Very high | 80.9 | Confident | 8 Ų | 8 | 72 Ų | 72 | 7% | 0.066 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 147.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | C116 F145 F147 | C116-A136 PolarHBondContact N-O 3.4Å; C116-A136 PolarHBondContact O-N 2.74Å; A136-F145 HydrophobicContact CB-CB 4.1Å; A136-F145 HydrophobicContact CB-CD1 4.19Å; A136-F147 HydrophobicContact CB-CD1 3.56Å; A136-F147 HydrophobicContact CB-CE1 3.39Å; A136-F147 HydrophobicContact CB-CG 4.23Å; A136-F147 HydrophobicContact CB-CZ 3.96Å |
| 137 | V | 91 | Very high | 82.6 | Confident | 98 Ų | 98 | 63.3 Ų | 63.3 | 59% | 0.594 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.7 | 171.4 | -174.5 | 0 | 0 | 0 | 0 | 107.3 | M114 R115 | M114-V137 CarbonylContact O-C 3.58Å; M114-V137 WeakPolarHBondContact O-CA 3.43Å; R115-V137 HydrophobicContact CG-CG1 4.38Å; R115-V137 HydrophobicContact CG-CG2 4.15Å |
| 138 | R | 90.2 | Very high | 84.1 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 5% | 0.045 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 126.8 | 175.1 | -171.2 | 173 | -71.2 | -178.2 | -4.6 | 108.7 | V108 A111 V113 M114 G142 A143 F145 | V108-R138 PolarHBondContact O-NH2 3.5Å; A111-R138 VanDerWaalsContact C-NH1 3.28Å; A111-R138 PolarHBondContact O-NH1 3.19Å; V113-R138 VanDerWaalsContact O-CZ 3.32Å; V113-R138 PolarHBondContact O-NE 3.37Å; M114-R138 HydrophobicContact CE-CB 4.15Å; M114-R138 VanDerWaalsContact CE-O 3.3Å; M114-R138 WeakPolarHBondContact CE-O 3.35Å; M114-R138 PolarHBondContact O-N 3.09Å; M114-R138 HydrophobicContact SD-CB 4.34Å; R138-G142 VanDerWaalsContact CD-O 3.31Å; R138-G142 WeakPolarHBondContact CD-O 3.42Å; R138-G142 WeakPolarHBondContact CG-O 3.41Å; R138-A143 PolarHBondContact NE-O 3.29Å; R138-F145 HydrophobicContact CB-CD1 3.99Å; R138-F145 HydrophobicContact CB-CE1 3.71Å; R138-F145 HydrophobicContact CB-CZ 4.28Å |
| 139 | P | 87.6 | Confident | 84.9 | Confident | 64 Ų | 64 | 66.1 Ų | 66.1 | 42% | 0.416 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -58 | 144.7 | 175.2 | -22.9 | 33.3 | 0 | 0 | 0 | 110.9 | G141 G142 N144 | P139-G141 PolarHBondContact O-N 3.06Å; P139-G141 VanDerWaalsContact O-N 3.15Å; P139-G142 PolarHBondContact O-N 2.87Å; P139-N144 VanDerWaalsContact CD-O 3.29Å; P139-N144 WeakPolarHBondContact CD-O 3.36Å |
| 140 | V | 81.4 | Confident | 86.2 | Confident | 146 Ų | 146 | 65.4 Ų | 65.4 | 89% | 0.885 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 120.3 | 175.6 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | G142 | V140-G142 VanDerWaalsContact C-N 3.29Å; V140-G142 PolarHBondContact O-N 2.74Å |
| 141 | G | 77.8 | Confident | 87 | Confident | 89 Ų | 89 | 64.3 Ų | 64.3 | 92% | 0.918 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | 0 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | P139 | P139-G141 PolarHBondContact O-N 3.06Å; P139-G141 VanDerWaalsContact O-N 3.15Å |
| 142 | G | 80.4 | Confident | 87.8 | Confident | 31 Ų | 31 | 66.7 Ų | 66.7 | 32% | 0.32 | 39% | 0.391 | S | S | . | . | trans | -88.8 | 146.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | R138 P139 V140 | R138-G142 VanDerWaalsContact CD-O 3.31Å; R138-G142 WeakPolarHBondContact CD-O 3.42Å; R138-G142 WeakPolarHBondContact CG-O 3.41Å; P139-G142 PolarHBondContact O-N 2.87Å; V140-G142 VanDerWaalsContact C-N 3.29Å; V140-G142 PolarHBondContact O-N 2.74Å | ||
| 143 | A | 84.7 | Confident | 88.3 | Confident | 65 Ų | 65 | 61.4 Ų | 61.4 | 54% | 0.537 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -83.8 | -27.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R138 | R138-A143 PolarHBondContact NE-O 3.29Š|
| 144 | N | 92.4 | Very high | 88.6 | Confident | 48 Ų | 48 | 61.2 Ų | 61.2 | 26% | 0.257 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -111.7 | 144.4 | -168.1 | -57.6 | -15.1 | 0 | 0 | 0 | 111.7 | E105 A106 P139 | E105-N144 HydrophobicContact CB-CB 4.33Å; E105-N144 PolarHBondContact OE2-ND2 2.95Å; A106-N144 CarbonylContact O-C 3.59Å; A106-N144 WeakPolarHBondContact O-CA 3.49Å; P139-N144 VanDerWaalsContact CD-O 3.29Å; P139-N144 WeakPolarHBondContact CD-O 3.36Å |
| 145 | F | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 135.8 | 157.7 | -64.6 | -75.8 | 0 | 0 | 0 | 109 | E105 A106 V108 V113 C116 A136 R138 F147 | E105-F145 CarbonylContact C-O 3.58Å; E105-F145 WeakPolarHBondContact CA-O 3.26Å; E105-F145 WeakPolarHBondContact CB-O 3.28Å; A106-F145 HydrophobicContact CB-CB 4.45Å; A106-F145 PolarHBondContact N-O 2.72Å; A106-F145 WeakPolarHBondContact O-CD2 3.2Å; A106-F145 PolarHBondContact O-N 3.06Å; V108-F145 HydrophobicContact CG1-CD2 4.13Å; V108-F145 HydrophobicContact CG1-CE2 3.65Å; V113-F145 HydrophobicContact CB-CZ 4.25Å; V113-F145 HydrophobicContact CG1-CZ 3.84Å; V113-F145 VanDerWaalsContact O-CZ 3.26Å; V113-F145 WeakPolarHBondContact O-CZ 3.15Å; C116-F145 HydrophobicContact CB-CD1 3.72Å; C116-F145 HydrophobicContact CB-CD2 4.01Å; C116-F145 HydrophobicContact CB-CE1 3.47Å; C116-F145 VanDerWaalsContact CB-CE1 3.47Å; C116-F145 HydrophobicContact CB-CE2 3.77Å; C116-F145 HydrophobicContact CB-CG 3.99Å; C116-F145 HydrophobicContact CB-CZ 3.52Å; A136-F145 HydrophobicContact CB-CB 4.1Å; A136-F145 HydrophobicContact CB-CD1 4.19Å; R138-F145 HydrophobicContact CB-CD1 3.99Å; R138-F145 HydrophobicContact CB-CE1 3.71Å; R138-F145 HydrophobicContact CB-CZ 4.28Å; F145-F147 HydrophobicContact CB-CE2 3.81Å; F145-F147 HydrophobicContact CB-CZ 3.87Å |
| 146 | V | 93.1 | Very high | 88.8 | Confident | 72 Ų | 72 | 59.7 Ų | 59.7 | 44% | 0.436 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 128.7 | 174.9 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | ||
| 147 | F | 92.1 | Very high | 88.9 | Confident | 11 Ų | 11 | 61.8 Ų | 61.8 | 5% | 0.048 | 38% | 0.384 | C | S | . | . | trans | -110.8 | 127.1 | -177 | -57.1 | -91 | 0 | 0 | 0 | 109.8 | L103 V104 A106 V118 V134 A136 F145 | L103-F147 HydrophobicContact CB-CB 3.65Å; L103-F147 HydrophobicContact CB-CD1 4.31Å; L103-F147 HydrophobicContact CB-CD2 3.69Å; L103-F147 HydrophobicContact CB-CE2 4.43Å; L103-F147 HydrophobicContact CB-CG 3.62Å; L103-F147 HydrophobicContact CD1-CD1 4.09Å; L103-F147 HydrophobicContact CD1-CE1 4.28Å; L103-F147 HydrophobicContact CD1-CG 4.24Å; L103-F147 WeakPolarHBondContact O-CB 3.47Å; V104-F147 PolarHBondContact O-N 3.44Å; A106-F147 HydrophobicContact CB-CE2 3.76Å; A106-F147 HydrophobicContact CB-CZ 4.31Å; V118-F147 HydrophobicContact CB-CE1 4.42Å; V118-F147 HydrophobicContact CG2-CE1 3.5Å; V118-F147 VanDerWaalsContact CG2-CE1 3.5Å; V118-F147 HydrophobicContact CG2-CE2 4.5Å; V118-F147 HydrophobicContact CG2-CZ 3.46Å; V118-F147 VanDerWaalsContact CG2-CZ 3.46Å; V134-F147 HydrophobicContact CB-CD1 4.4Å; V134-F147 HydrophobicContact CG1-CD1 3.85Å; A136-F147 HydrophobicContact CB-CD1 3.56Å; A136-F147 HydrophobicContact CB-CE1 3.39Å; A136-F147 HydrophobicContact CB-CG 4.23Å; A136-F147 HydrophobicContact CB-CZ 3.96Å; F145-F147 HydrophobicContact CB-CE2 3.81Å; F145-F147 HydrophobicContact CB-CZ 3.87Å | ||
| 148 | N | 82.8 | Confident | 88.8 | Confident | 154 Ų | 154 | 59.5 Ų | 59.5 | 82% | 0.824 | 38% | 0.38 | S | S | * | . | trans | -104 | -9.9 | -174.9 | -66.6 | -28.9 | 0 | 0 | 0 | 113.4 | ||||
| 149 | Q | 86.5 | Confident | 88.6 | Confident | 128 Ų | 128 | 63.8 Ų | 63.8 | 60% | 0.598 | 40% | 0.4 | S | S | * | . | trans | -110.4 | 123.8 | -171.5 | -170.3 | 174.4 | 5.2 | 0 | 0 | 112 | V134 | V134-Q149 HydrophobicContact CG1-CB 4.38Š| ||
| 150 | P | 93 | Very high | 88.7 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 34% | 0.338 | 38% | 0.38 | S | S | . | . | trans | -70.2 | 142.9 | 169 | 27.3 | -31.7 | 0 | 0 | 0 | 111.3 | V100 V101 R102 | V100-P150 HydrophobicContact CG1-CB 3.98Å; V101-P150 WeakPolarHBondContact O-CA 3.05Å; R102-P150 HydrophobicContact CG-CB 3.76Å | ||
| 151 | V | 91.2 | Very high | 88.9 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 5% | 0.048 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 136.8 | 166.9 | -179.2 | 0 | 0 | 0 | 0 | 109.1 | V100 V101 V120 R132 V134 F153 | V100-V151 WeakPolarHBondContact CA-O 3.45Å; V101-V151 HydrophobicContact CB-CB 4.33Å; V101-V151 PolarHBondContact N-O 2.83Å; V101-V151 PolarHBondContact O-N 3.16Å; V120-V151 HydrophobicContact CB-CG1 4.34Å; V120-V151 HydrophobicContact CB-CG2 4.45Å; V120-V151 HydrophobicContact CG1-CG1 4.33Å; V120-V151 HydrophobicContact CG2-CG2 4.06Å; R132-V151 HydrophobicContact CB-CG1 3.34Å; R132-V151 HydrophobicContact CB-CG2 4.48Å; R132-V151 HydrophobicContact CG-CG1 3.56Å; V134-V151 HydrophobicContact CG2-CG2 3.19Å; V151-F153 HydrophobicContact CB-CE2 4.4Å; V151-F153 HydrophobicContact CG1-CD2 4.21Å; V151-F153 HydrophobicContact CG1-CE1 4.32Å; V151-F153 HydrophobicContact CG1-CE2 3.45Å; V151-F153 VanDerWaalsContact CG1-CE2 3.45Å; V151-F153 HydrophobicContact CG1-CZ 3.52Å |
| 152 | K | 93.7 | Very high | 89 | Confident | 87 Ų | 87 | 61 Ų | 61 | 38% | 0.378 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 138.7 | 178.4 | -58.6 | -169.2 | 177.6 | -173.2 | 0 | 112.1 | F99 V100 | F99-K152 CarbonylContact O-C 3.54Å; F99-K152 VanDerWaalsContact O-CA 3.3Å; F99-K152 WeakPolarHBondContact O-CA 3.43Å; V100-K152 HydrophobicContact CG1-CG 4.41Å; V100-K152 HydrophobicContact CG2-CD 4.42Å; V100-K152 HydrophobicContact CG2-CG 4.17Å |
| 153 | F | 89.3 | Confident | 89.2 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.009 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 117 | 175.4 | -58.7 | -82.7 | 0 | 0 | 0 | 109.8 | D98 F99 V101 V120 L122 S130 R132 V151 I155 | D98-F153 WeakPolarHBondContact CA-O 3.41Å; F99-F153 HydrophobicContact CB-CB 4.28Å; F99-F153 HydrophobicContact CD1-CB 4.35Å; F99-F153 AromaticContact CD1-CD2 3.62Å; F99-F153 HydrophobicContact CD1-CD2 3.62Å; F99-F153 HydrophobicContact CD1-CE2 4.37Å; F99-F153 HydrophobicContact CD1-CG 4.35Å; F99-F153 HydrophobicContact CE1-CD2 4.18Å; F99-F153 PolarHBondContact N-O 3.07Å; F99-F153 PolarHBondContact O-N 3.4Å; V101-F153 HydrophobicContact CG2-CD2 4.45Å; V101-F153 HydrophobicContact CG2-CE2 4.1Å; V120-F153 HydrophobicContact CB-CZ 4.18Å; V120-F153 HydrophobicContact CG1-CE2 3.74Å; V120-F153 HydrophobicContact CG1-CZ 3.72Å; V120-F153 WeakPolarHBondContact O-CZ 2.92Å; L122-F153 HydrophobicContact CD1-CB 3.78Å; L122-F153 HydrophobicContact CD1-CD1 4.07Å; L122-F153 HydrophobicContact CD1-CD2 4.23Å; L122-F153 HydrophobicContact CD1-CG 3.77Å; L122-F153 HydrophobicContact CG-CD1 4.34Å; L122-F153 HydrophobicContact CG-CD2 4.41Å; L122-F153 HydrophobicContact CG-CG 4.26Å; S130-F153 WeakPolarHBondContact OG-CD1 3.27Å; S130-F153 WeakPolarHBondContact OG-CE1 3.4Å; R132-F153 HydrophobicContact CB-CE1 4.29Å; R132-F153 HydrophobicContact CB-CZ 4.22Å; R132-F153 HydrophobicContact CG-CD1 4.34Å; R132-F153 HydrophobicContact CG-CE1 3.67Å; R132-F153 HydrophobicContact CG-CZ 4Å; V151-F153 HydrophobicContact CB-CE2 4.4Å; V151-F153 HydrophobicContact CG1-CD2 4.21Å; V151-F153 HydrophobicContact CG1-CE1 4.32Å; V151-F153 HydrophobicContact CG1-CE2 3.45Å; V151-F153 VanDerWaalsContact CG1-CE2 3.45Å; V151-F153 HydrophobicContact CG1-CZ 3.52Å; F153-I155 HydrophobicContact CB-CG2 4.33Å; F153-I155 PolarHBondContact O-N 3.02Å; F153-I155 VanDerWaalsContact O-N 3.1Å |
| 154 | P | 91.7 | Very high | 89.3 | Confident | 99 Ų | 99 | 61.3 Ų | 61.3 | 64% | 0.643 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 97.5 | 176.3 | 30.5 | -32.3 | 0 | 0 | 0 | 109.2 | D98 | D98-P154 WeakPolarHBondContact OD1-CA 3.46Å |
| 155 | I | 88.8 | Confident | 89.4 | Confident | 16 Ų | 16 | 59 Ų | 59 | 8% | 0.082 | 31% | 0.31 | C | S | . | . | trans | -148.1 | 131.6 | -176.3 | -174.9 | 171.4 | 0 | 0 | 0 | 110.1 | Y92 S97 F99 L122 F153 E159 L160 R163 | Y92-I155 VanDerWaalsContact CE2-O 3.26Å; Y92-I155 WeakPolarHBondContact CE2-O 3.21Å; Y92-I155 PolarHBondContact OH-O 3.31Å; S97-I155 CarbonylContact O-C 3.53Å; S97-I155 PolarHBondContact O-N 2.91Å; S97-I155 VanDerWaalsContact O-O 3.05Å; F99-I155 HydrophobicContact CB-CG2 3.96Å; L122-I155 HydrophobicContact CD1-CD1 4.35Å; L122-I155 HydrophobicContact CD1-CG2 4.28Å; F153-I155 HydrophobicContact CB-CG2 4.33Å; F153-I155 PolarHBondContact O-N 3.02Å; F153-I155 VanDerWaalsContact O-N 3.1Å; I155-E159 HydrophobicContact CD1-CB 4.1Å; I155-E159 HydrophobicContact CG1-CB 3.98Å; I155-L160 HydrophobicContact CG2-CB 4.31Å; I155-L160 HydrophobicContact CG2-CD1 3.77Å; I155-R163 HydrophobicContact CD1-CG 4.07Å | ||
| 156 | P | 92.2 | Very high | 89.1 | Confident | 64 Ų | 64 | 59.7 Ų | 59.7 | 42% | 0.416 | 31% | 0.313 | S | S | . | . | trans | -59.9 | 142.6 | 175.1 | -23.6 | 34.3 | 0 | 0 | 0 | 112.8 | Y92 G158 E159 L160 | Y92-P156 WeakPolarHBondContact OH-CA 3.44Å; P156-G158 PolarHBondContact O-N 2.86Å; P156-G158 VanDerWaalsContact O-N 3.16Å; P156-E159 PolarHBondContact O-N 2.99Å; P156-L160 PolarHBondContact O-N 3.43Å | ||
| 157 | I | 92.2 | Very high | 89.2 | Confident | 52 Ų | 52 | 56.3 Ų | 56.3 | 27% | 0.267 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.1 | -35.7 | -176.6 | -170.8 | 59.2 | 0 | 0 | 0 | 112.9 | Y92 F94 E159 L160 V161 | Y92-I157 HydrophobicContact CD1-CB 4.26Å; Y92-I157 HydrophobicContact CD1-CD1 4.07Å; Y92-I157 HydrophobicContact CD1-CG1 4.45Å; Y92-I157 HydrophobicContact CD2-CD1 3.93Å; Y92-I157 HydrophobicContact CE1-CB 3.74Å; Y92-I157 HydrophobicContact CE1-CD1 4.35Å; Y92-I157 HydrophobicContact CE1-CG1 4.41Å; Y92-I157 HydrophobicContact CE2-CB 4.31Å; Y92-I157 HydrophobicContact CE2-CD1 4.22Å; Y92-I157 HydrophobicContact CG-CD1 3.85Å; Y92-I157 PolarHBondContact OH-N 2.87Å; F94-I157 HydrophobicContact CE1-CB 4.38Å; F94-I157 HydrophobicContact CE1-CG1 4.2Å; F94-I157 HydrophobicContact CE1-CG2 4.29Å; I157-E159 VanDerWaalsContact C-N 3.28Å; I157-E159 PolarHBondContact O-N 2.8Å; I157-L160 HydrophobicContact CD1-CD2 3.97Å; I157-L160 PolarHBondContact O-N 2.91Å; I157-V161 PolarHBondContact O-N 3.47Å |
| 158 | G | 88.8 | Confident | 88.9 | Confident | 50 Ų | 50 | 55.8 Ų | 55.8 | 52% | 0.515 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -68.4 | -24.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P156 V161 | P156-G158 PolarHBondContact O-N 2.86Å; P156-G158 VanDerWaalsContact O-N 3.16Å; G158-V161 WeakPolarHBondContact O-CG2 3.46Å |
| 159 | E | 87.9 | Confident | 89.4 | Confident | 101 Ų | 101 | 48.4 Ų | 48.4 | 47% | 0.472 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -87.9 | -33.5 | 173 | -68 | 178.7 | -150.6 | 0 | 0 | 111.4 | I155 P156 I157 V161 R162 R163 | I155-E159 HydrophobicContact CD1-CB 4.1Å; I155-E159 HydrophobicContact CG1-CB 3.98Å; P156-E159 PolarHBondContact O-N 2.99Å; I157-E159 VanDerWaalsContact C-N 3.28Å; I157-E159 PolarHBondContact O-N 2.8Å; E159-V161 PolarHBondContact O-N 2.96Å; E159-R162 PolarHBondContact O-N 2.82Å; E159-R163 WeakPolarHBondContact O-CG 3.35Å |
| 160 | L | 89.6 | Confident | 89.4 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.7 | -42.7 | -178.7 | -175.9 | 66.6 | 0 | 0 | 0 | 112.8 | Y92 F99 L122 I155 P156 I157 R162 R163 L186 P191 | Y92-L160 HydrophobicContact CD2-CD2 3.54Å; Y92-L160 HydrophobicContact CE2-CD2 3.86Å; F99-L160 HydrophobicContact CB-CD1 3.88Å; F99-L160 HydrophobicContact CB-CD2 3.79Å; F99-L160 HydrophobicContact CD1-CD1 3.71Å; F99-L160 HydrophobicContact CD2-CD1 4.37Å; F99-L160 HydrophobicContact CD2-CD2 3.87Å; F99-L160 HydrophobicContact CE1-CD1 4.28Å; F99-L160 HydrophobicContact CG-CD1 3.73Å; F99-L160 HydrophobicContact CG-CD2 3.86Å; F99-L160 HydrophobicContact CG-CG 4.46Å; L122-L160 HydrophobicContact CD1-CD1 4.27Å; L122-L160 HydrophobicContact CD2-CD1 4.34Å; I155-L160 HydrophobicContact CG2-CB 4.31Å; I155-L160 HydrophobicContact CG2-CD1 3.77Å; P156-L160 PolarHBondContact O-N 3.43Å; I157-L160 HydrophobicContact CD1-CD2 3.97Å; I157-L160 PolarHBondContact O-N 2.91Å; L160-R162 PolarHBondContact O-N 2.87Å; L160-R163 WeakPolarHBondContact O-CB 3.17Å; L160-R163 PolarHBondContact O-N 2.84Å; L160-L186 HydrophobicContact CD1-CD1 3.41Å; L160-L186 VanDerWaalsContact CD1-CD1 3.41Å; L160-L186 HydrophobicContact CG-CD1 3.89Å; L160-P191 HydrophobicContact CD2-CB 4.29Å; L160-P191 HydrophobicContact CD2-CG 3.92Å |
| 161 | V | 85.2 | Confident | 89.1 | Confident | 45 Ų | 45 | 40.1 Ų | 40.1 | 27% | 0.273 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -11.1 | -178.2 | -65.3 | 0 | 0 | 0 | 0 | 114.1 | I157 G158 E159 | I157-V161 PolarHBondContact O-N 3.47Å; G158-V161 WeakPolarHBondContact O-CG2 3.46Å; E159-V161 PolarHBondContact O-N 2.96Å |
| 162 | R | 79.9 | Confident | 88.5 | Confident | 196 Ų | 196 | 41.7 Ų | 41.7 | 74% | 0.74 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -1.9 | 175.6 | -61.8 | 178.8 | -180 | -99.8 | -1.9 | 113 | E159 L160 | E159-R162 PolarHBondContact O-N 2.82Å; L160-R162 PolarHBondContact O-N 2.87Å |
| 163 | R | 84.8 | Confident | 87.4 | Confident | 31 Ų | 31 | 41.6 Ų | 41.6 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -95.4 | 158 | -175.6 | -53.9 | -63.8 | 171.7 | 155.9 | -27.1 | 111.2 | L122 Q123 D124 T129 I155 E159 L160 L186 | L122-R163 HydrophobicContact CD2-CB 4.36Å; Q123-R163 CarbonylContact O-C 3.35Å; Q123-R163 WeakPolarHBondContact O-CA 3.23Å; Q123-R163 WeakPolarHBondContact O-CB 3.37Å; Q123-R163 WeakPolarHBondContact O-CD 3.25Å; D124-R163 VanDerWaalsContact CB-CZ 3.4Å; D124-R163 IonicContact OD2-CZ 2.63Å; D124-R163 IonicContact OD2-NE 3.52Å; D124-R163 IonicContact OD2-NH1 2.72Å; D124-R163 IonicContact OD2-NH2 3.78Å; D124-R163 PolarHBondContact OD2-NH2 3.24Å; T129-R163 VanDerWaalsContact CB-NH1 3.28Å; T129-R163 PolarHBondContact OG1-NH1 2.79Å; I155-R163 HydrophobicContact CD1-CG 4.07Å; E159-R163 WeakPolarHBondContact O-CG 3.35Å; L160-R163 WeakPolarHBondContact O-CB 3.17Å; L160-R163 PolarHBondContact O-N 2.84Å; R163-L186 HydrophobicContact CB-CD1 4.17Å; R163-L186 VanDerWaalsContact O-CB 3.32Å; R163-L186 WeakPolarHBondContact O-CB 3.25Å; R163-L186 WeakPolarHBondContact O-CG 3.38Å; R163-L186 PolarHBondContact O-N 2.85Å |
| 164 | K | 86.7 | Confident | 86.1 | Confident | 71 Ų | 71 | 48 Ų | 48 | 31% | 0.309 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 139.5 | 162.9 | -65 | -177.1 | 171.6 | -169.5 | 0 | 109.8 | L122 Q123 E183 L184 | L122-K164 WeakPolarHBondContact CA-O 3.29Å; Q123-K164 PolarHBondContact N-O 2.83Å; Q123-K164 PolarHBondContact O-N 3.38Å; K164-E183 HydrophobicContact CD-CG 4.24Å; K164-E183 WeakPolarHBondContact CD-OE1 3.34Å; K164-E183 WeakPolarHBondContact CE-OE1 2.97Å; K164-E183 IonicContact NZ-OE1 3.16Å; K164-E183 PolarHBondContact NZ-OE1 3.24Å; K164-L184 CarbonylContact C-O 3.55Å; K164-L184 WeakPolarHBondContact CA-O 3.13Å |
| 165 | L | 93.3 | Very high | 85 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 120.6 | 168.8 | 174.7 | 63.7 | 0 | 0 | 0 | 109 | L88 L90 F99 V101 V120 L122 L167 E183 L184 L186 | L88-L165 HydrophobicContact CD1-CD2 4.16Å; L90-L165 HydrophobicContact CD2-CD2 3.69Å; F99-L165 HydrophobicContact CE1-CD1 4.25Å; F99-L165 HydrophobicContact CE1-CD2 4.36Å; F99-L165 HydrophobicContact CZ-CD2 4.05Å; V101-L165 HydrophobicContact CG1-CD2 4.28Å; V101-L165 HydrophobicContact CG2-CD1 4.26Å; V101-L165 HydrophobicContact CG2-CD2 3.98Å; V120-L165 HydrophobicContact CG1-CD1 3.56Å; L122-L165 HydrophobicContact CD2-CB 4.48Å; L122-L165 HydrophobicContact CD2-CD1 4.26Å; L165-L167 HydrophobicContact CD1-CD2 4.14Å; L165-L167 HydrophobicContact CD2-CD2 4.37Å; L165-L167 HydrophobicContact CG-CD2 4.14Å; L165-E183 WeakPolarHBondContact O-CA 3.24Å; L165-L184 HydrophobicContact CB-CB 4.29Å; L165-L184 HydrophobicContact CD2-CD1 4.18Å; L165-L184 PolarHBondContact N-O 2.93Å; L165-L184 PolarHBondContact O-N 2.87Å; L165-L186 HydrophobicContact CB-CD1 4.42Å; L165-L186 HydrophobicContact CB-CD2 3.86Å; L165-L186 HydrophobicContact CB-CG 4.22Å |
| 166 | H | 89.1 | Confident | 84.3 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 7% | 0.069 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 132.1 | 175.8 | -74.3 | -111.7 | 0 | 0 | 0 | 109.8 | V120 S121 Q123 V182 E183 | V120-H166 WeakPolarHBondContact CA-O 3.36Å; S121-H166 PolarHBondContact N-O 2.89Å; S121-H166 PolarHBondContact O-N 2.85Å; Q123-H166 PolarHBondContact OE1-CE1 2.89Å; Q123-H166 VanDerWaalsContact OE1-CE1 3.32Å; Q123-H166 PolarHBondContact OE1-NE2 2.91Å; Q123-H166 VanDerWaalsContact OE1-NE2 3.13Å; H166-V182 CarbonylContact C-O 3.6Å; H166-V182 WeakPolarHBondContact CA-O 3.33Å; H166-E183 IonicContact CE1-OE2 3.91Å |
| 167 | L | 93.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.1 | 173.1 | -48.1 | 177 | 0 | 0 | 0 | 108.1 | I86 L88 L103 V118 V119 V120 L165 A181 V182 | I86-L167 HydrophobicContact CD1-CD1 4.1Å; I86-L167 HydrophobicContact CG2-CD1 4.41Å; L88-L167 HydrophobicContact CD1-CD1 3.88Å; L88-L167 HydrophobicContact CD2-CD1 4.22Å; L103-L167 HydrophobicContact CD2-CD1 4.14Å; L103-L167 HydrophobicContact CD2-CD2 4.31Å; V118-L167 HydrophobicContact CG1-CB 4.17Å; V119-L167 WeakPolarHBondContact O-CA 3.34Å; V120-L167 HydrophobicContact CB-CD2 4.11Å; V120-L167 HydrophobicContact CG1-CD2 3.72Å; V120-L167 HydrophobicContact CG2-CD2 3.86Å; L165-L167 HydrophobicContact CD1-CD2 4.14Å; L165-L167 HydrophobicContact CD2-CD2 4.37Å; L165-L167 HydrophobicContact CG-CD2 4.14Å; L167-A181 CarbonylContact O-C 3.55Å; L167-A181 WeakPolarHBondContact O-CA 3.25Å; L167-A181 WeakPolarHBondContact O-CB 3.37Å; L167-V182 HydrophobicContact CB-CB 4.15Å; L167-V182 HydrophobicContact CD1-CB 4.17Å; L167-V182 HydrophobicContact CD1-CG1 4.39Å; L167-V182 HydrophobicContact CG-CB 4.36Å; L167-V182 PolarHBondContact N-O 3.18Å; L167-V182 PolarHBondContact O-N 3.01Å |
| 168 | N | 87.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 119.2 | 175.9 | -66.6 | -55.4 | 0 | 0 | 0 | 109.5 | V118 V119 S209 E210 T211 | V118-N168 CarbonylContact C-O 3.53Å; V118-N168 VanDerWaalsContact CA-O 3.29Å; V118-N168 WeakPolarHBondContact CA-O 3.25Å; V119-N168 HydrophobicContact CB-CB 4.33Å; V119-N168 PolarHBondContact N-O 2.75Å; V119-N168 PolarHBondContact O-N 3.4Å; N168-S209 WeakPolarHBondContact OD1-CB 3.45Å; N168-S209 PolarHBondContact OD1-OG 3.36Å; N168-E210 PolarHBondContact ND2-O 3.21Å; N168-T211 HydrophobicContact CB-CG2 3.31Å |
| 169 | L | 92.1 | Very high | 83.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 131.9 | 179.6 | -67.5 | 83.9 | 0 | 0 | 0 | 109.9 | A106 V108 V118 L179 G180 I201 | A106-L169 HydrophobicContact CB-CD2 4.21Å; V108-L169 HydrophobicContact CB-CD2 4.47Å; V108-L169 HydrophobicContact CG1-CD2 4.39Å; V118-L169 HydrophobicContact CG2-CG 4.1Å; L169-L179 HydrophobicContact CB-CB 4.09Å; L169-L179 WeakPolarHBondContact O-CB 3.44Å; L169-L179 PolarHBondContact O-N 3.37Å; L169-G180 PolarHBondContact N-O 2.9Å; L169-I201 HydrophobicContact CD1-CG1 4.39Å; L169-I201 HydrophobicContact CD1-CG2 4.13Å; L169-I201 HydrophobicContact CD2-CD1 3.68Å; L169-I201 HydrophobicContact CD2-CG1 4.41Å |
| 170 | I | 85.9 | Confident | 83.4 | Confident | 3 Ų | 3 | 47.7 Ų | 47.7 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 130.4 | -168.9 | -64.1 | 170 | 0 | 0 | 0 | 108.8 | C116 R117 V119 N176 Q177 T211 E214 | C116-I170 CarbonylContact C-O 3.59Å; C116-I170 VanDerWaalsContact CA-O 3.27Å; C116-I170 WeakPolarHBondContact CA-O 3.24Å; R117-I170 HydrophobicContact CB-CB 4.21Å; R117-I170 HydrophobicContact CB-CG2 4.44Å; R117-I170 PolarHBondContact N-O 3.01Å; R117-I170 WeakPolarHBondContact O-CB 3.41Å; R117-I170 PolarHBondContact O-N 2.84Å; V119-I170 HydrophobicContact CG2-CD1 3.91Å; I170-N176 HydrophobicContact CG2-CB 4.2Å; I170-Q177 WeakPolarHBondContact CA-O 3.29Å; I170-T211 HydrophobicContact CD1-CG2 3.82Å; I170-T211 WeakPolarHBondContact CD1-OG1 3.32Å; I170-E214 WeakPolarHBondContact CB-OE1 3.04Å; I170-E214 WeakPolarHBondContact CD1-OE1 3.21Å; I170-E214 WeakPolarHBondContact CG1-OE1 3.16Å; I170-E214 WeakPolarHBondContact CG1-OE2 3.49Å; I170-E214 WeakPolarHBondContact CG2-OE1 3.33Å |
| 171 | S | 87.5 | Confident | 83.5 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 146.2 | 166.5 | 72.4 | 0 | 0 | 0 | 0 | 110.8 | R115 K175 N176 Q177 | R115-S171 WeakPolarHBondContact O-CA 3.43Å; S171-K175 PolarHBondContact OG-O 2.92Å; S171-N176 VanDerWaalsContact O-CA 3.25Å; S171-N176 WeakPolarHBondContact O-CA 3.46Å; S171-Q177 PolarHBondContact N-O 2.81Å; S171-Q177 PolarHBondContact O-N 2.84Å; S171-Q177 WeakPolarHBondContact OG-CB 3.34Å; S171-Q177 PolarHBondContact OG-N 2.96Å; S171-Q177 PolarHBondContact OG-O 3.16Å |
| 172 | M | 77.7 | Confident | 83.9 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 21% | 0.207 | 22% | 0.222 | C | C | . | . | trans | -106.5 | 10.6 | 178.1 | -59.3 | 179.4 | 67.3 | 0 | 0 | 113.3 | R115 R117 E135 | R115-M172 HydrophobicContact CB-CB 3.93Å; R115-M172 HydrophobicContact CB-CG 4.46Å; R115-M172 HydrophobicContact CB-SD 4.49Å; R115-M172 PolarHBondContact O-N 2.87Å; R117-M172 HydrophobicContact CB-CG 4.1Å; R117-M172 HydrophobicContact CB-SD 3.95Å; E135-M172 HydrophobicContact CB-SD 4.48Å; E135-M172 HydrophobicContact CG-SD 4.07Å | ||
| 173 | E | 71.5 | Confident | 84.3 | Confident | 84 Ų | 84 | 39.6 Ų | 39.6 | 39% | 0.393 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -146.5 | 132.9 | -171.2 | -67.7 | -177.4 | 152.3 | 0 | 0 | 111.8 | R115 | R115-E173 HydrophobicContact CB-CG 4.42Å; R115-E173 IonicContact CZ-OE1 3.26Å; R115-E173 IonicContact NE-OE1 3.64Å; R115-E173 PolarHBondContact NE-OE1 3.29Å; R115-E173 IonicContact NH1-OE1 2.73Å; R115-E173 IonicContact NH2-OE1 2.71Å; R115-E173 PolarHBondContact NH2-OE1 2.63Å |
| 174 | P | 62.7 | Low | 84.6 | Confident | 138 Ų | 138 | 38.1 Ų | 38.1 | 90% | 0.896 | 19% | 0.192 | S | C | * | . | S | Bend | cis | -75.5 | -8.8 | -20.2 | 32.2 | -34.4 | 0 | 0 | 0 | 113 | ||
| 175 | K | 68.8 | Low | 84.6 | Confident | 164 Ų | 164 | 37.2 Ų | 37.2 | 71% | 0.713 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -133 | 157.8 | 178.1 | -68.4 | -179.4 | -179.7 | 176.1 | 0 | 108.7 | S171 Q177 | S171-K175 PolarHBondContact OG-O 2.92Å; K175-Q177 PolarHBondContact O-N 2.85Å; K175-Q177 VanDerWaalsContact O-N 3.09Å |
| 176 | N | 73.3 | Confident | 84.4 | Confident | 72 Ų | 72 | 37.2 Ų | 37.2 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | trans | -67.4 | 106.5 | 170.9 | -62.5 | -1.7 | 0 | 0 | 0 | 109 | I170 S171 E214 | I170-N176 HydrophobicContact CG2-CB 4.2Å; S171-N176 VanDerWaalsContact O-CA 3.25Å; S171-N176 WeakPolarHBondContact O-CA 3.46Å; N176-E214 HydrophobicContact CB-CG 3.77Å; N176-E214 WeakPolarHBondContact CB-OE1 3.21Å | ||
| 177 | Q | 81.1 | Confident | 84.3 | Confident | 107 Ų | 107 | 42.3 Ų | 42.3 | 50% | 0.5 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 130.3 | 177.4 | -176.4 | -175.7 | 28.1 | 0 | 0 | 110 | I170 S171 K175 L179 E214 | I170-Q177 WeakPolarHBondContact CA-O 3.29Å; S171-Q177 PolarHBondContact N-O 2.81Å; S171-Q177 PolarHBondContact O-N 2.84Å; S171-Q177 WeakPolarHBondContact OG-CB 3.34Å; S171-Q177 PolarHBondContact OG-N 2.96Å; S171-Q177 PolarHBondContact OG-O 3.16Å; K175-Q177 PolarHBondContact O-N 2.85Å; K175-Q177 VanDerWaalsContact O-N 3.09Å; Q177-L179 PolarHBondContact O-N 3Å; Q177-E214 VanDerWaalsContact C-OE2 3.28Å |
| 178 | F | 82.2 | Confident | 83.8 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 120 | 175.7 | 178.2 | -110.8 | 0 | 0 | 0 | 110.5 | G180 A181 R203 E214 | F178-G180 WeakPolarHBondContact CE2-O 3.29Å; F178-G180 WeakPolarHBondContact CZ-O 3.41Å; F178-A181 HydrophobicContact CE2-CB 4.06Å; F178-A181 HydrophobicContact CZ-CB 3.76Å; F178-R203 HydrophobicContact CD1-CG 4.31Å; F178-R203 HydrophobicContact CE1-CG 4.14Å; F178-E214 WeakPolarHBondContact CA-OE2 3.32Å; F178-E214 WeakPolarHBondContact CB-OE2 3.4Å; F178-E214 PolarHBondContact N-OE2 2.7Å |
| 179 | L | 89.5 | Confident | 83.9 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | -40.1 | -179.8 | -61.7 | 177.1 | 0 | 0 | 0 | 111.4 | V83 V108 V113 L169 Q177 R203 | V83-L179 WeakPolarHBondContact CG2-O 3.25Å; V108-L179 HydrophobicContact CG1-CD1 3.98Å; V108-L179 HydrophobicContact CG2-CB 3.9Å; V113-L179 HydrophobicContact CG1-CD1 4.01Å; V113-L179 HydrophobicContact CG2-CD1 4.43Å; V113-L179 HydrophobicContact CG2-CD2 3.87Å; L169-L179 HydrophobicContact CB-CB 4.09Å; L169-L179 WeakPolarHBondContact O-CB 3.44Å; L169-L179 PolarHBondContact O-N 3.37Å; Q177-L179 PolarHBondContact O-N 3Å; L179-R203 WeakPolarHBondContact O-CD 3.18Å |
| 180 | G | 90 | Very high | 83.7 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.6 | 176.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L169 F178 E202 | L169-G180 PolarHBondContact N-O 2.9Å; F178-G180 WeakPolarHBondContact CE2-O 3.29Å; F178-G180 WeakPolarHBondContact CZ-O 3.41Å; G180-E202 CarbonylContact C-O 3.57Å; G180-E202 VanDerWaalsContact CA-O 3.24Å; G180-E202 WeakPolarHBondContact CA-O 3.49Å |
| 181 | A | 90.8 | Very high | 83.9 | Confident | 14 Ų | 14 | 51.2 Ų | 51.2 | 12% | 0.116 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 160.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | L167 F178 E202 S209 | L167-A181 CarbonylContact O-C 3.55Å; L167-A181 WeakPolarHBondContact O-CA 3.25Å; L167-A181 WeakPolarHBondContact O-CB 3.37Å; F178-A181 HydrophobicContact CE2-CB 4.06Å; F178-A181 HydrophobicContact CZ-CB 3.76Å; A181-E202 PolarHBondContact N-O 3.37Å; A181-E202 PolarHBondContact O-N 2.83Å; A181-S209 WeakPolarHBondContact CB-OG 3.11Å |
| 182 | V | 92.9 | Very high | 84.1 | Confident | 7 Ų | 7 | 53.6 Ų | 53.6 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.3 | 173.5 | 177.9 | 0 | 0 | 0 | 0 | 109 | I86 H166 L167 L184 A199 I201 | I86-V182 HydrophobicContact CG2-CB 4.46Å; I86-V182 HydrophobicContact CG2-CG2 3.6Å; H166-V182 CarbonylContact C-O 3.6Å; H166-V182 WeakPolarHBondContact CA-O 3.33Å; L167-V182 HydrophobicContact CB-CB 4.15Å; L167-V182 HydrophobicContact CD1-CB 4.17Å; L167-V182 HydrophobicContact CD1-CG1 4.39Å; L167-V182 HydrophobicContact CG-CB 4.36Å; L167-V182 PolarHBondContact N-O 3.18Å; L167-V182 PolarHBondContact O-N 3.01Å; V182-L184 HydrophobicContact CG1-CD2 3.61Å; V182-L184 HydrophobicContact CG1-CG 4Å; V182-A199 HydrophobicContact CG1-CB 3.53Å; V182-A199 HydrophobicContact CG2-CB 4.34Å; V182-I201 HydrophobicContact CG2-CB 4.42Å; V182-I201 HydrophobicContact CG2-CG1 3.98Å |
| 183 | E | 89.1 | Confident | 84.5 | Confident | 50 Ų | 50 | 52 Ų | 52 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 117.3 | 176.1 | 177.7 | -177.9 | 151.4 | 0 | 0 | 108.2 | Q75 K164 L165 H166 R207 | Q75-E183 PolarHBondContact NE2-O 3.44Å; K164-E183 HydrophobicContact CD-CG 4.24Å; K164-E183 WeakPolarHBondContact CD-OE1 3.34Å; K164-E183 WeakPolarHBondContact CE-OE1 2.97Å; K164-E183 IonicContact NZ-OE1 3.16Å; K164-E183 PolarHBondContact NZ-OE1 3.24Å; L165-E183 WeakPolarHBondContact O-CA 3.24Å; H166-E183 IonicContact CE1-OE2 3.91Å; E183-R207 IonicContact OE2-CZ 3.85Å; E183-R207 IonicContact OE2-NH1 2.87Å; E183-R207 PolarHBondContact OE2-NH1 2.77Å; E183-R207 IonicContact OE2-NH2 3.41Å |
| 184 | L | 90.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 123.6 | 176.6 | -49.4 | -175.7 | 0 | 0 | 0 | 109.2 | L88 L90 K164 L165 V182 L186 V197 A199 | L88-L184 HydrophobicContact CD1-CD1 3.94Å; L88-L184 HydrophobicContact CD2-CD1 4.41Å; L90-L184 HydrophobicContact CD1-CD1 4.01Å; K164-L184 CarbonylContact C-O 3.55Å; K164-L184 WeakPolarHBondContact CA-O 3.13Å; L165-L184 HydrophobicContact CB-CB 4.29Å; L165-L184 HydrophobicContact CD2-CD1 4.18Å; L165-L184 PolarHBondContact N-O 2.93Å; L165-L184 PolarHBondContact O-N 2.87Å; V182-L184 HydrophobicContact CG1-CD2 3.61Å; V182-L184 HydrophobicContact CG1-CG 4Å; L184-L186 PolarHBondContact O-N 3.29Å; L184-V197 HydrophobicContact CD1-CB 4.49Å; L184-V197 HydrophobicContact CD1-CG1 4.18Å; L184-V197 HydrophobicContact CD2-CG1 4.2Å; L184-A199 HydrophobicContact CD2-CB 4.12Å |
| 185 | D | 86.8 | Confident | 86.9 | Confident | 52 Ų | 52 | 44.2 Ų | 44.2 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 120.4 | 166.3 | -165.1 | -32.5 | 0 | 0 | 0 | 108.8 | L187 E188 N189 | D185-L187 PolarHBondContact O-N 3.02Å; D185-L187 WeakPolarHBondContact OD1-CB 3.27Å; D185-L187 PolarHBondContact OD1-N 3.28Å; D185-E188 HydrophobicContact CB-CB 4.44Å; D185-E188 HydrophobicContact CB-CG 4.3Å; D185-E188 PolarHBondContact O-N 3.47Å; D185-N189 WeakPolarHBondContact O-CB 3.43Å; D185-N189 PolarHBondContact O-N 2.94Å; D185-N189 PolarHBondContact O-ND2 2.81Å |
| 186 | L | 90.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -9.1 | -178.6 | -61.8 | -176.6 | 0 | 0 | 0 | 112.9 | L90 F99 L122 L160 R163 L165 L184 P191 | L90-L186 HydrophobicContact CD1-CD2 4.19Å; F99-L186 HydrophobicContact CE1-CD1 4.08Å; F99-L186 HydrophobicContact CZ-CD1 4.15Å; F99-L186 HydrophobicContact CZ-CD2 4.01Å; L122-L186 HydrophobicContact CD2-CD1 3.8Å; L160-L186 HydrophobicContact CD1-CD1 3.41Å; L160-L186 VanDerWaalsContact CD1-CD1 3.41Å; L160-L186 HydrophobicContact CG-CD1 3.89Å; R163-L186 HydrophobicContact CB-CD1 4.17Å; R163-L186 VanDerWaalsContact O-CB 3.32Å; R163-L186 WeakPolarHBondContact O-CB 3.25Å; R163-L186 WeakPolarHBondContact O-CG 3.38Å; R163-L186 PolarHBondContact O-N 2.85Å; L165-L186 HydrophobicContact CB-CD1 4.42Å; L165-L186 HydrophobicContact CB-CD2 3.86Å; L165-L186 HydrophobicContact CB-CG 4.22Å; L184-L186 PolarHBondContact O-N 3.29Å; L186-P191 HydrophobicContact CD2-CG 4.2Å |
| 187 | L | 85.8 | Confident | 89.1 | Confident | 123 Ų | 123 | 33.9 Ų | 33.9 | 64% | 0.644 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.8 | -37.3 | 166.3 | -172 | 63.2 | 0 | 0 | 0 | 111.3 | D185 | D185-L187 PolarHBondContact O-N 3.02Å; D185-L187 WeakPolarHBondContact OD1-CB 3.27Å; D185-L187 PolarHBondContact OD1-N 3.28Å |
| 188 | E | 83.9 | Confident | 89.8 | Confident | 137 Ų | 137 | 29.4 Ų | 29.4 | 64% | 0.64 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -28.5 | 179.7 | -60.6 | -170.2 | 160.6 | 0 | 0 | 112.7 | D185 | D185-E188 HydrophobicContact CB-CB 4.44Å; D185-E188 HydrophobicContact CB-CG 4.3Å; D185-E188 PolarHBondContact O-N 3.47Å |
| 189 | N | 88.3 | Confident | 90.3 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.043 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -108.6 | 64.3 | -179.5 | -64.1 | -88.7 | 0 | 0 | 0 | 110.2 | L90 D185 P191 I195 | L90-N189 HydrophobicContact CD1-CB 4.01Å; D185-N189 WeakPolarHBondContact O-CB 3.43Å; D185-N189 PolarHBondContact O-N 2.94Å; D185-N189 PolarHBondContact O-ND2 2.81Å; N189-P191 WeakPolarHBondContact O-CD 3.38Å; N189-P191 VanDerWaalsContact O-N 3.12Å; N189-I195 HydrophobicContact CB-CD1 3.91Å |
| 190 | D | 88.4 | Confident | 90.6 | Very high | 45 Ų | 45 | 30.2 Ų | 30.2 | 24% | 0.241 | 16% | 0.162 | C | C | . | . | trans | -59.7 | 110.3 | -171.5 | -177.6 | 6 | 0 | 0 | 0 | 112.9 | L67 S192 A193 | L67-D190 HydrophobicContact CD1-CB 3.98Å; D190-S192 PolarHBondContact O-N 2.83Å; D190-S192 WeakPolarHBondContact OD1-CB 3.26Å; D190-S192 PolarHBondContact OD1-N 3.45Å; D190-S192 PolarHBondContact OD1-OG 2.81Å; D190-S192 PolarHBondContact OD2-OG 2.97Å; D190-A193 PolarHBondContact O-N 2.91Å | ||
| 191 | P | 90.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -67.3 | -17.1 | 178.3 | -21 | 36.3 | 0 | 0 | 0 | 113.7 | L90 S91 Y92 F99 L160 L186 N189 A193 D194 | L90-P191 HydrophobicContact CB-CB 4.28Å; L90-P191 HydrophobicContact CB-CG 4.46Å; S91-P191 CarbonylContact C-O 3.58Å; S91-P191 VanDerWaalsContact CA-O 3.25Å; S91-P191 WeakPolarHBondContact CA-O 3.44Å; Y92-P191 PolarHBondContact N-O 3.08Å; F99-P191 HydrophobicContact CD2-CB 3.76Å; F99-P191 HydrophobicContact CD2-CG 3.88Å; F99-P191 HydrophobicContact CE2-CB 3.63Å; F99-P191 HydrophobicContact CE2-CG 3.47Å; F99-P191 VanDerWaalsContact CE2-CG 3.47Å; F99-P191 HydrophobicContact CZ-CG 4.26Å; L160-P191 HydrophobicContact CD2-CB 4.29Å; L160-P191 HydrophobicContact CD2-CG 3.92Å; L186-P191 HydrophobicContact CD2-CG 4.2Å; N189-P191 WeakPolarHBondContact O-CD 3.38Å; N189-P191 VanDerWaalsContact O-N 3.12Å; P191-A193 PolarHBondContact O-N 3.22Å; P191-D194 PolarHBondContact O-N 3.02Å |
| 192 | S | 90.3 | Very high | 90.6 | Very high | 51 Ų | 51 | 30.7 Ų | 30.7 | 36% | 0.357 | 16% | 0.162 | S | C | . | . | G | 310 helix | trans | -65.1 | -26.1 | 178.1 | 88.3 | 0 | 0 | 0 | 0 | 112.5 | D190 D194 | D190-S192 PolarHBondContact O-N 2.83Å; D190-S192 WeakPolarHBondContact OD1-CB 3.26Å; D190-S192 PolarHBondContact OD1-N 3.45Å; D190-S192 PolarHBondContact OD1-OG 2.81Å; D190-S192 PolarHBondContact OD2-OG 2.97Å; S192-D194 VanDerWaalsContact C-N 3.34Å |
| 193 | A | 87.3 | Confident | 90.4 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 8% | 0.083 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -87.4 | 5.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L67 R69 G70 D190 P191 I195 | L67-A193 HydrophobicContact CB-CB 4.04Å; R69-A193 CarbonylContact C-O 3.55Å; R69-A193 WeakPolarHBondContact CA-O 3.32Å; G70-A193 PolarHBondContact N-O 3.31Å; D190-A193 PolarHBondContact O-N 2.91Å; P191-A193 PolarHBondContact O-N 3.22Å; A193-I195 HydrophobicContact CB-CG2 3.73Å; A193-I195 PolarHBondContact O-N 3.24Å |
| 194 | D | 91.5 | Very high | 89.5 | Confident | 56 Ų | 56 | 36.7 Ų | 36.7 | 30% | 0.299 | 18% | 0.182 | S | C | . | . | trans | 49.9 | 63.6 | 178.1 | -167.7 | 11 | 0 | 0 | 0 | 111.3 | R69 G70 L90 P191 S192 | R69-D194 HydrophobicContact CG-CB 4.14Å; R69-D194 IonicContact NE-OD2 3.01Å; R69-D194 IonicContact NH2-OD2 3.31Å; G70-D194 VanDerWaalsContact CA-O 3.24Å; G70-D194 WeakPolarHBondContact CA-O 3.37Å; G70-D194 PolarHBondContact N-O 3.45Å; G70-D194 VanDerWaalsContact N-O 3.14Å; L90-D194 CarbonylContact O-C 3.42Å; L90-D194 WeakPolarHBondContact O-CA 3.38Å; P191-D194 PolarHBondContact O-N 3.02Å; S192-D194 VanDerWaalsContact C-N 3.34Å | ||
| 195 | I | 92.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 41.4 Ų | 41.4 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 155 | -168.9 | 60.4 | 172.1 | 0 | 0 | 0 | 111.6 | S71 L73 R89 L90 N189 A193 V197 | S71-I195 WeakPolarHBondContact O-CA 3.27Å; L73-I195 HydrophobicContact CD1-CD1 3.81Å; R89-I195 CarbonylContact C-O 3.58Å; R89-I195 VanDerWaalsContact CA-O 3.28Å; R89-I195 WeakPolarHBondContact CA-O 3.47Å; L90-I195 HydrophobicContact CB-CD1 4.43Å; L90-I195 HydrophobicContact CB-CG1 3.87Å; L90-I195 HydrophobicContact CD1-CD1 4.27Å; L90-I195 HydrophobicContact CG-CG1 4.49Å; L90-I195 PolarHBondContact N-O 3.21Å; L90-I195 PolarHBondContact O-N 3.24Å; N189-I195 HydrophobicContact CB-CD1 3.91Å; A193-I195 HydrophobicContact CB-CG2 3.73Å; A193-I195 PolarHBondContact O-N 3.24Å; I195-V197 HydrophobicContact CD1-CG2 3.94Å; I195-V197 HydrophobicContact CG1-CG2 4.27Å |
| 196 | E | 94.6 | Very high | 85.9 | Confident | 20 Ų | 20 | 42.6 Ų | 42.6 | 9% | 0.093 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 133.3 | 168.1 | -167.2 | 170.3 | 138.9 | 0 | 0 | 109.4 | S71 V72 L73 R87 L88 R89 | S71-E196 PolarHBondContact O-N 2.94Å; V72-E196 CarbonylContact C-O 3.51Å; V72-E196 VanDerWaalsContact CA-O 3.3Å; V72-E196 WeakPolarHBondContact CA-O 3.49Å; V72-E196 HydrophobicContact CG2-CB 4.35Å; L73-E196 PolarHBondContact N-O 2.92Å; R87-E196 IonicContact CZ-OE1 2.62Å; R87-E196 IonicContact NE-OE1 3.45Å; R87-E196 PolarHBondContact NE-OE1 2.73Å; R87-E196 IonicContact NH2-OE1 2.87Å; R87-E196 PolarHBondContact NH2-OE1 3.26Å; L88-E196 CarbonylContact O-C 3.59Å; L88-E196 WeakPolarHBondContact O-CA 3.48Å; R89-E196 HydrophobicContact CG-CB 4.12Å; R89-E196 HydrophobicContact CG-CG 3.87Å; R89-E196 IonicContact CZ-OE2 3.33Å; R89-E196 IonicContact NE-OE2 3.85Å; R89-E196 PolarHBondContact NE-OE2 2.75Å; R89-E196 IonicContact NH2-OE2 3.14Å; R89-E196 PolarHBondContact NH2-OE2 2.9Å |
| 197 | V | 93.7 | Very high | 83.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.1 | -178.3 | -173.8 | 0 | 0 | 0 | 0 | 108.7 | L73 R87 L88 L90 L184 I195 A199 | L73-V197 HydrophobicContact CB-CG2 4.38Å; L73-V197 CarbonylContact O-C 3.49Å; L73-V197 WeakPolarHBondContact O-CA 3.35Å; R87-V197 WeakPolarHBondContact CA-O 3.23Å; L88-V197 HydrophobicContact CD2-CB 4.19Å; L88-V197 WeakPolarHBondContact CD2-O 3.45Å; L88-V197 HydrophobicContact CG-CB 4.31Å; L88-V197 PolarHBondContact N-O 2.8Å; L88-V197 PolarHBondContact O-N 3.14Å; L90-V197 HydrophobicContact CD1-CG2 4.11Å; L90-V197 HydrophobicContact CG-CG2 4.4Å; L184-V197 HydrophobicContact CD1-CB 4.49Å; L184-V197 HydrophobicContact CD1-CG1 4.18Å; L184-V197 HydrophobicContact CD2-CG1 4.2Å; I195-V197 HydrophobicContact CD1-CG2 3.94Å; I195-V197 HydrophobicContact CG1-CG2 4.27Å; V197-A199 HydrophobicContact CG1-CB 4.27Å |
| 198 | A | 95.1 | Very high | 81.2 | Confident | 13 Ų | 13 | 46.4 Ų | 46.4 | 11% | 0.107 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 109.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | L73 T74 Q75 I86 R87 | L73-A198 PolarHBondContact O-N 3.19Å; T74-A198 CarbonylContact C-O 3.5Å; T74-A198 WeakPolarHBondContact CA-O 3.48Å; Q75-A198 PolarHBondContact N-O 3.12Å; I86-A198 CarbonylContact O-C 3.42Å; I86-A198 WeakPolarHBondContact O-CA 3.26Å; R87-A198 HydrophobicContact CG-CB 3.89Å |
| 199 | A | 94.2 | Very high | 79 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 137.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q75 L85 I86 V182 L184 V197 | Q75-A199 HydrophobicContact CB-CB 4.24Å; L85-A199 WeakPolarHBondContact CA-O 3.42Å; L85-A199 WeakPolarHBondContact CD1-O 3.07Å; I86-A199 HydrophobicContact CG2-CB 4.21Å; I86-A199 PolarHBondContact N-O 3.24Å; I86-A199 PolarHBondContact O-N 2.64Å; V182-A199 HydrophobicContact CG1-CB 3.53Å; V182-A199 HydrophobicContact CG2-CB 4.34Å; L184-A199 HydrophobicContact CD2-CB 4.12Å; V197-A199 HydrophobicContact CG1-CB 4.27Å |
| 200 | E | 94.8 | Very high | 76.5 | Confident | 46 Ų | 46 | 45.1 Ų | 45.1 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 130.9 | 171.2 | -73.4 | 176.7 | 172.6 | 0 | 0 | 110.4 | Q75 T76 S77 G78 V82 L85 | Q75-E200 PolarHBondContact O-N 2.71Å; T76-E200 VanDerWaalsContact CA-CD 3.48Å; T76-E200 VanDerWaalsContact CA-OE2 3.26Å; T76-E200 WeakPolarHBondContact CA-OE2 3.28Å; T76-E200 WeakPolarHBondContact CB-OE1 3.4Å; T76-E200 HydrophobicContact CG2-CG 4.4Å; T76-E200 WeakPolarHBondContact CG2-OE1 3.43Å; S77-E200 PolarHBondContact N-OE2 3.26Å; S77-E200 PolarHBondContact OG-OE2 3.5Å; G78-E200 PolarHBondContact N-OE2 3.35Å; V82-E200 HydrophobicContact CG1-CB 4.05Å; V82-E200 HydrophobicContact CG1-CG 4.08Å; V82-E200 HydrophobicContact CG2-CB 4.01Å; V82-E200 HydrophobicContact CG2-CG 4.28Å; V82-E200 WeakPolarHBondContact CG2-OE2 3.2Å; L85-E200 HydrophobicContact CD1-CG 4.39Å |
| 201 | I | 94.4 | Very high | 74.3 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 125.4 | 173.4 | -57.8 | 161.7 | 0 | 0 | 0 | 107 | V82 V83 G84 I86 A106 N107 V108 L169 V182 | V82-I201 CarbonylContact C-O 3.55Å; V82-I201 WeakPolarHBondContact CA-O 3.42Å; V83-I201 HydrophobicContact CG2-CB 4.31Å; V83-I201 HydrophobicContact CG2-CG2 3.83Å; V83-I201 WeakPolarHBondContact CG2-O 3.37Å; V83-I201 PolarHBondContact N-O 3.35Å; G84-I201 PolarHBondContact N-O 3.47Å; G84-I201 PolarHBondContact O-N 3.11Å; I86-I201 HydrophobicContact CB-CD1 4.07Å; I86-I201 HydrophobicContact CB-CG1 4.06Å; I86-I201 HydrophobicContact CG2-CG1 4.04Å; A106-I201 HydrophobicContact CB-CD1 4.49Å; N107-I201 WeakPolarHBondContact O-CD1 3.38Å; V108-I201 HydrophobicContact CB-CD1 4.02Å; V108-I201 HydrophobicContact CG2-CD1 4.31Å; V108-I201 HydrophobicContact CG2-CG2 4.3Å; L169-I201 HydrophobicContact CD1-CG1 4.39Å; L169-I201 HydrophobicContact CD1-CG2 4.13Å; L169-I201 HydrophobicContact CD2-CD1 3.68Å; L169-I201 HydrophobicContact CD2-CG1 4.41Å; V182-I201 HydrophobicContact CG2-CB 4.42Å; V182-I201 HydrophobicContact CG2-CG1 3.98Å |
| 202 | E | 87.7 | Confident | 72.2 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 11% | 0.112 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 140.3 | -179.1 | -65.2 | -174.4 | 156.5 | 0 | 0 | 112.7 | S77 S79 Y81 V82 G180 A181 R204 | S77-E202 WeakPolarHBondContact CB-OE1 3.26Å; S77-E202 PolarHBondContact OG-OE1 3.27Å; S79-E202 WeakPolarHBondContact CB-OE1 3.3Å; Y81-E202 CarbonylContact O-C 3.57Å; Y81-E202 WeakPolarHBondContact O-CA 3.39Å; V82-E202 HydrophobicContact CG2-CG 4.17Å; G180-E202 CarbonylContact C-O 3.57Å; G180-E202 VanDerWaalsContact CA-O 3.24Å; G180-E202 WeakPolarHBondContact CA-O 3.49Å; A181-E202 PolarHBondContact N-O 3.37Å; A181-E202 PolarHBondContact O-N 2.83Å; E202-R204 HydrophobicContact CB-CG 4.43Å; E202-R204 IonicContact OE1-NH2 3.77Å; E202-R204 IonicContact OE2-CZ 2.79Å; E202-R204 IonicContact OE2-NE 2.88Å; E202-R204 PolarHBondContact OE2-NE 3.28Å; E202-R204 IonicContact OE2-NH2 3.53Å; E202-R204 PolarHBondContact OE2-NH2 3.49Å |
| 203 | R | 87.6 | Confident | 70.1 | Confident | 103 Ų | 103 | 46.2 Ų | 46.2 | 39% | 0.389 | 25% | 0.254 | S | S | . | . | trans | -118.4 | 82.4 | 171.5 | -170.2 | 178.8 | 62.6 | -171.4 | -4.3 | 109.5 | Y81 V83 F178 L179 | Y81-R203 PolarHBondContact O-N 3.46Å; V83-R203 HydrophobicContact CB-CB 4.42Å; V83-R203 HydrophobicContact CG1-CB 3.65Å; V83-R203 HydrophobicContact CG2-CB 3.88Å; F178-R203 HydrophobicContact CD1-CG 4.31Å; F178-R203 HydrophobicContact CE1-CG 4.14Å; L179-R203 WeakPolarHBondContact O-CD 3.18Å | ||
| 204 | R | 70.3 | Confident | 68 | Low | 80 Ų | 80 | 47.2 Ų | 47.2 | 30% | 0.302 | 26% | 0.256 | S | S | . | . | trans | -80.9 | 131.3 | 179.9 | -56.6 | -163.9 | -162.3 | 148 | 4.3 | 111.6 | Y81 E202 G206 R207 | Y81-R204 HydrophobicContact CD2-CB 4.15Å; Y81-R204 HydrophobicContact CD2-CG 3.6Å; Y81-R204 HydrophobicContact CE2-CG 4.39Å; Y81-R204 HydrophobicContact CG-CB 4.25Å; Y81-R204 HydrophobicContact CG-CG 3.87Å; E202-R204 HydrophobicContact CB-CG 4.43Å; E202-R204 IonicContact OE1-NH2 3.77Å; E202-R204 IonicContact OE2-CZ 2.79Å; E202-R204 IonicContact OE2-NE 2.88Å; E202-R204 PolarHBondContact OE2-NE 3.28Å; E202-R204 IonicContact OE2-NH2 3.53Å; E202-R204 PolarHBondContact OE2-NH2 3.49Å; R204-G206 PolarHBondContact O-N 2.8Å; R204-R207 HydrophobicContact CB-CB 3.69Å; R204-R207 HydrophobicContact CG-CB 4.4Å; R204-R207 VanDerWaalsContact NH1-NE 3.19Å; R204-R207 PolarHBondContact O-N 3.06Å | ||
| 205 | P | 54.4 | Low | 66 | Low | 99 Ų | 99 | 47.8 Ų | 47.8 | 64% | 0.643 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | 123.8 | 167.6 | 25.6 | -28.3 | 0 | 0 | 0 | 109.2 | Y81 R207 | Y81-P205 HydrophobicContact CD1-CG 4.24Å; Y81-P205 HydrophobicContact CE1-CG 3.57Å; P205-R207 PolarHBondContact O-N 2.98Å |
| 206 | G | 46.7 | Very low | 64.5 | Low | 77 Ų | 77 | 48 Ų | 48 | 79% | 0.794 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.9 | -14.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | R204 V208 | R204-G206 PolarHBondContact O-N 2.8Å; G206-V208 VanDerWaalsContact C-N 3.35Å; G206-V208 PolarHBondContact O-N 2.97Å |
| 207 | R | 43 | Very low | 63.4 | Low | 129 Ų | 129 | 49.6 Ų | 49.6 | 49% | 0.487 | 27% | 0.265 | S | S | . | . | trans | -98 | 73.4 | 163.9 | -125.6 | -161.4 | -158.5 | -155.5 | -3 | 107.7 | E183 R204 P205 S209 | E183-R207 IonicContact OE2-CZ 3.85Å; E183-R207 IonicContact OE2-NH1 2.87Å; E183-R207 PolarHBondContact OE2-NH1 2.77Å; E183-R207 IonicContact OE2-NH2 3.41Å; R204-R207 HydrophobicContact CB-CB 3.69Å; R204-R207 HydrophobicContact CG-CB 4.4Å; R204-R207 VanDerWaalsContact NH1-NE 3.19Å; R204-R207 PolarHBondContact O-N 3.06Å; P205-R207 PolarHBondContact O-N 2.98Å; R207-S209 PolarHBondContact O-N 3.1Å; R207-S209 VanDerWaalsContact O-N 3.09Å | ||
| 208 | V | 34.9 | Very low | 62.7 | Low | 74 Ų | 74 | 50.8 Ų | 50.8 | 45% | 0.448 | 27% | 0.271 | S | S | . | . | trans | -71.3 | 101.5 | 178.3 | 171.7 | 0 | 0 | 0 | 0 | 107.4 | G206 H215 | G206-V208 VanDerWaalsContact C-N 3.35Å; G206-V208 PolarHBondContact O-N 2.97Å; V208-H215 WeakPolarHBondContact CG1-CD2 3.4Å; V208-H215 WeakPolarHBondContact CG1-CE1 3.41Å; V208-H215 VanDerWaalsContact CG1-ND1 3.29Å; V208-H215 WeakPolarHBondContact CG1-ND1 3.18Å; V208-H215 WeakPolarHBondContact CG1-NE2 2.89Å | ||
| 209 | S | 37.6 | Very low | 62.3 | Low | 18 Ų | 18 | 50.2 Ų | 50.2 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | trans | -74.3 | 132.5 | -171.3 | -149.5 | 0 | 0 | 0 | 0 | 111.5 | N168 A181 R207 T211 | N168-S209 WeakPolarHBondContact OD1-CB 3.45Å; N168-S209 PolarHBondContact OD1-OG 3.36Å; A181-S209 WeakPolarHBondContact CB-OG 3.11Å; R207-S209 PolarHBondContact O-N 3.1Å; R207-S209 VanDerWaalsContact O-N 3.09Å; S209-T211 PolarHBondContact O-N 2.84Å | ||
| 210 | E | 37.5 | Very low | 62.1 | Low | 101 Ų | 101 | 52.1 Ų | 52.1 | 47% | 0.472 | 28% | 0.276 | S | S | . | . | trans | -81.4 | 84.6 | -156.1 | -63.6 | 163.3 | 169.1 | 0 | 0 | 110.7 | Q123 N168 | Q123-E210 PolarHBondContact NE2-OE2 2.85Å; N168-E210 PolarHBondContact ND2-O 3.21Å | ||
| 211 | T | 41.9 | Very low | 62.1 | Low | 3 Ų | 3 | 50 Ų | 50 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | trans | -104 | 123.4 | 148.8 | 44.5 | 0 | 0 | 0 | 0 | 108.9 | V119 N168 I170 S209 V213 E214 | V119-T211 HydrophobicContact CB-CG2 3.29Å; V119-T211 HydrophobicContact CG1-CG2 3.72Å; V119-T211 HydrophobicContact CG2-CG2 3.37Å; N168-T211 HydrophobicContact CB-CG2 3.31Å; I170-T211 HydrophobicContact CD1-CG2 3.82Å; I170-T211 WeakPolarHBondContact CD1-OG1 3.32Å; S209-T211 PolarHBondContact O-N 2.84Å; T211-V213 PolarHBondContact O-N 2.92Å; T211-V213 VanDerWaalsContact O-N 3.12Å; T211-E214 PolarHBondContact O-N 2.62Å | ||
| 212 | P | 45.9 | Very low | 62.2 | Low | 46 Ų | 46 | 51.2 Ų | 51.2 | 30% | 0.299 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -57.9 | -36.4 | -173.1 | -17.1 | 24.2 | 0 | 0 | 0 | 112 | E214 Y217 | P212-E214 PolarHBondContact O-N 3.04Å; P212-Y217 CarbonylContact C-O 3.53Å; P212-Y217 HydrophobicContact CB-CD1 2.99Å; P212-Y217 HydrophobicContact CB-CD2 4.46Å; P212-Y217 HydrophobicContact CB-CE1 3.35Å; P212-Y217 HydrophobicContact CB-CG 3.6Å; P212-Y217 HydrophobicContact CG-CD1 4.22Å; P212-Y217 HydrophobicContact CG-CE1 4.15Å; P212-Y217 CarbonylContact O-C 3.59Å; P212-Y217 WeakPolarHBondContact O-CA 3.29Å; P212-Y217 WeakPolarHBondContact O-CB 3.28Å; P212-Y217 PolarHBondContact O-N 3.31Å |
| 213 | V | 46.2 | Very low | 62.6 | Low | 70 Ų | 70 | 50.1 Ų | 50.1 | 42% | 0.424 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -65 | -19.9 | -175.3 | -171.9 | 0 | 0 | 0 | 0 | 114.7 | T211 Y217 | T211-V213 PolarHBondContact O-N 2.92Å; T211-V213 VanDerWaalsContact O-N 3.12Å; V213-Y217 VanDerWaalsContact CA-O 3.32Å; V213-Y217 WeakPolarHBondContact CA-O 3.21Å; V213-Y217 PolarHBondContact N-O 2.92Å |
| 214 | E | 43.9 | Very low | 63.1 | Low | 30 Ų | 30 | 45.4 Ų | 45.4 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -98.7 | -22.9 | -171.5 | -117.5 | 152.7 | -101 | 0 | 0 | 116.2 | I170 N176 Q177 F178 T211 P212 G216 | I170-E214 WeakPolarHBondContact CB-OE1 3.04Å; I170-E214 WeakPolarHBondContact CD1-OE1 3.21Å; I170-E214 WeakPolarHBondContact CG1-OE1 3.16Å; I170-E214 WeakPolarHBondContact CG1-OE2 3.49Å; I170-E214 WeakPolarHBondContact CG2-OE1 3.33Å; N176-E214 HydrophobicContact CB-CG 3.77Å; N176-E214 WeakPolarHBondContact CB-OE1 3.21Å; Q177-E214 VanDerWaalsContact C-OE2 3.28Å; F178-E214 WeakPolarHBondContact CA-OE2 3.32Å; F178-E214 WeakPolarHBondContact CB-OE2 3.4Å; F178-E214 PolarHBondContact N-OE2 2.7Å; T211-E214 PolarHBondContact O-N 2.62Å; P212-E214 PolarHBondContact O-N 3.04Å; E214-G216 PolarHBondContact O-N 2.81Å |
| 215 | H | 49.8 | Very low | 64.4 | Low | 69 Ų | 69 | 41.6 Ų | 41.6 | 32% | 0.319 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -89.8 | 32.7 | 165.5 | -61.1 | -55 | 0 | 0 | 0 | 110.7 | V208 Y217 W359 | V208-H215 WeakPolarHBondContact CG1-CD2 3.4Å; V208-H215 WeakPolarHBondContact CG1-CE1 3.41Å; V208-H215 VanDerWaalsContact CG1-ND1 3.29Å; V208-H215 WeakPolarHBondContact CG1-ND1 3.18Å; V208-H215 WeakPolarHBondContact CG1-NE2 2.89Å; H215-Y217 PolarHBondContact O-N 2.93Å; H215-W359 PolarHBondContact O-NE1 3.4Å |
| 216 | G | 61.4 | Low | 66.4 | Low | 5 Ų | 5 | 40.7 Ų | 40.7 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 11.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | E214 N218 M357 S358 | E214-G216 PolarHBondContact O-N 2.81Å; G216-N218 PolarHBondContact O-N 2.87Å; G216-M357 CarbonylContact O-C 3.5Å; G216-M357 WeakPolarHBondContact O-CA 3.11Å; G216-S358 WeakPolarHBondContact CA-OG 3.39Å; G216-S358 PolarHBondContact O-N 2.83Å |
| 217 | Y | 69.7 | Low | 68.7 | Low | 53 Ų | 53 | 37.6 Ų | 37.6 | 21% | 0.208 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 123.8 | 174.4 | 171.2 | -64.4 | 0 | 0 | 0 | 108.5 | P212 V213 H215 G219 E220 P355 L356 M357 | P212-Y217 CarbonylContact C-O 3.53Å; P212-Y217 HydrophobicContact CB-CD1 2.99Å; P212-Y217 HydrophobicContact CB-CD2 4.46Å; P212-Y217 HydrophobicContact CB-CE1 3.35Å; P212-Y217 HydrophobicContact CB-CG 3.6Å; P212-Y217 HydrophobicContact CG-CD1 4.22Å; P212-Y217 HydrophobicContact CG-CE1 4.15Å; P212-Y217 CarbonylContact O-C 3.59Å; P212-Y217 WeakPolarHBondContact O-CA 3.29Å; P212-Y217 WeakPolarHBondContact O-CB 3.28Å; P212-Y217 PolarHBondContact O-N 3.31Å; V213-Y217 VanDerWaalsContact CA-O 3.32Å; V213-Y217 WeakPolarHBondContact CA-O 3.21Å; V213-Y217 PolarHBondContact N-O 2.92Å; H215-Y217 PolarHBondContact O-N 2.93Å; Y217-G219 VanDerWaalsContact CE1-N 3.28Å; Y217-E220 HydrophobicContact CE2-CG 3.92Å; Y217-E220 WeakPolarHBondContact OH-CG 3.39Å; Y217-P355 HydrophobicContact CD2-CB 3.47Å; Y217-P355 VanDerWaalsContact CD2-CB 3.47Å; Y217-P355 HydrophobicContact CE2-CB 3.57Å; Y217-L356 CarbonylContact C-O 3.53Å; Y217-L356 WeakPolarHBondContact CA-O 3.26Å; Y217-M357 HydrophobicContact CD2-CE 4.16Å; Y217-M357 HydrophobicContact CD2-SD 4.24Å; Y217-M357 HydrophobicContact CG-SD 4.38Å |
| 218 | N | 80.1 | Confident | 71.1 | Confident | 25 Ų | 25 | 34.9 Ų | 34.9 | 13% | 0.134 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 32.8 | -173.5 | -72.4 | -24.5 | 0 | 0 | 0 | 110.3 | G216 I244 A245 L322 L356 | G216-N218 PolarHBondContact O-N 2.87Å; N218-I244 VanDerWaalsContact O-CA 3.26Å; N218-I244 WeakPolarHBondContact O-CA 3.08Å; N218-I244 WeakPolarHBondContact O-CG1 3.25Å; N218-A245 PolarHBondContact O-N 2.63Å; N218-L322 WeakPolarHBondContact CB-O 3.43Å; N218-L322 PolarHBondContact ND2-O 3.48Å; N218-L356 HydrophobicContact CB-CD2 4.18Å; N218-L356 HydrophobicContact CB-CG 4.42Å; N218-L356 PolarHBondContact N-O 3.16Å |
| 219 | G | 85.7 | Confident | 73.7 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 107.6 | -168 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y217 K242 G243 L356 | Y217-G219 VanDerWaalsContact CE1-N 3.28Å; G219-K242 CarbonylContact C-O 3.55Å; G219-K242 VanDerWaalsContact CA-O 3.32Å; G219-K242 WeakPolarHBondContact CA-O 3.09Å; G219-G243 VanDerWaalsContact CA-O 3.28Å; G219-G243 WeakPolarHBondContact CA-O 3.15Å; G219-L356 WeakPolarHBondContact O-CB 3.4Å; G219-L356 PolarHBondContact O-N 2.73Å |
| 220 | E | 90.6 | Very high | 76.3 | Confident | 42 Ų | 42 | 41.4 Ų | 41.4 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 150 | 176.6 | -49 | -176.2 | 111 | 0 | 0 | 110.8 | Y217 T241 K242 W353 H354 | Y217-E220 HydrophobicContact CE2-CG 3.92Å; Y217-E220 WeakPolarHBondContact OH-CG 3.39Å; E220-T241 CarbonylContact O-C 3.51Å; E220-T241 WeakPolarHBondContact O-CA 3.3Å; E220-T241 VanDerWaalsContact O-CB 3.25Å; E220-T241 WeakPolarHBondContact O-CB 3.42Å; E220-K242 PolarHBondContact N-O 3.22Å; E220-K242 PolarHBondContact O-N 2.83Å; E220-K242 IonicContact OE2-NZ 3.53Å; E220-W353 HydrophobicContact CB-CE3 3.56Å; E220-W353 HydrophobicContact CB-CZ3 4.09Å; E220-H354 CarbonylContact C-O 3.51Å; E220-H354 VanDerWaalsContact CA-O 3.24Å; E220-H354 WeakPolarHBondContact CA-O 3.16Å |
| 221 | L | 94.5 | Very high | 79 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 123 | 174.8 | 179.3 | 62.8 | 0 | 0 | 0 | 109.2 | L223 F238 T241 L287 V309 V325 H354 | L221-L223 HydrophobicContact CD1-CD2 4.26Å; L221-L223 HydrophobicContact CD2-CD1 4.09Å; L221-L223 HydrophobicContact CD2-CD2 3.7Å; L221-L223 HydrophobicContact CD2-CG 4.1Å; L221-L223 HydrophobicContact CG-CD1 4.25Å; L221-L223 HydrophobicContact CG-CD2 3.65Å; L221-L223 HydrophobicContact CG-CG 3.83Å; L221-F238 HydrophobicContact CD2-CD1 4.26Å; L221-F238 HydrophobicContact CD2-CE1 4.48Å; L221-T241 HydrophobicContact CD1-CG2 3.79Å; L221-L287 HydrophobicContact CD1-CD1 3.89Å; L221-V309 HydrophobicContact CD2-CG2 4Å; L221-V325 HydrophobicContact CD2-CG2 4.46Å; L221-H354 PolarHBondContact N-O 2.84Å; L221-H354 PolarHBondContact O-N 3.45Å |
| 222 | E | 97 | Very high | 81.4 | Confident | 26 Ų | 26 | 44.6 Ų | 44.6 | 12% | 0.121 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 124.1 | 174.9 | -161.6 | 178.8 | -149.5 | 0 | 0 | 109.7 | L239 R240 T351 W353 | E222-L239 HydrophobicContact CB-CB 4.24Å; E222-L239 HydrophobicContact CG-CB 4.4Å; E222-L239 HydrophobicContact CG-CD1 4.06Å; E222-L239 PolarHBondContact O-N 2.84Å; E222-R240 HydrophobicContact CB-CG 4.19Å; E222-R240 PolarHBondContact N-O 3.32Å; E222-R240 IonicContact OE1-NH2 3.04Å; E222-R240 WeakPolarHBondContact OE2-CG 3.42Å; E222-R240 IonicContact OE2-CZ 3.88Å; E222-R240 IonicContact OE2-NE 3.01Å; E222-R240 PolarHBondContact OE2-NE 3.46Å; E222-R240 IonicContact OE2-NH2 3.55Å; E222-R240 PolarHBondContact OE2-NH2 3.29Å; E222-T351 HydrophobicContact CG-CG2 3.81Å; E222-W353 HydrophobicContact CB-CD2 3.82Å; E222-W353 HydrophobicContact CB-CE3 3.69Å; E222-W353 HydrophobicContact CB-CH2 3.77Å; E222-W353 HydrophobicContact CB-CZ2 3.86Å; E222-W353 HydrophobicContact CB-CZ3 3.67Å; E222-W353 HydrophobicContact CG-CD2 4Å; E222-W353 HydrophobicContact CG-CE3 4.39Å; E222-W353 HydrophobicContact CG-CG 4.46Å; E222-W353 HydrophobicContact CG-CH2 4.42Å; E222-W353 HydrophobicContact CG-CZ2 3.99Å; E222-W353 PolarHBondContact OE1-NE1 3.31Å |
| 223 | L | 97 | Very high | 83.8 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.1 | -173.2 | -60.1 | 168.8 | 0 | 0 | 0 | 110.3 | L221 S237 F238 L307 V325 I327 H339 T351 M352 | L221-L223 HydrophobicContact CD1-CD2 4.26Å; L221-L223 HydrophobicContact CD2-CD1 4.09Å; L221-L223 HydrophobicContact CD2-CD2 3.7Å; L221-L223 HydrophobicContact CD2-CG 4.1Å; L221-L223 HydrophobicContact CG-CD1 4.25Å; L221-L223 HydrophobicContact CG-CD2 3.65Å; L221-L223 HydrophobicContact CG-CG 3.83Å; L223-S237 CarbonylContact C-O 3.57Å; L223-S237 VanDerWaalsContact CA-O 3.24Å; L223-S237 WeakPolarHBondContact CA-O 3.45Å; L223-F238 HydrophobicContact CD2-CB 4.39Å; L223-F238 HydrophobicContact CD2-CD1 3.26Å; L223-F238 HydrophobicContact CD2-CE1 3.56Å; L223-F238 HydrophobicContact CD2-CG 4.02Å; L223-L307 HydrophobicContact CD1-CD2 3.62Å; L223-L307 HydrophobicContact CD2-CD2 4.15Å; L223-V325 HydrophobicContact CD1-CG1 4.35Å; L223-I327 HydrophobicContact CD1-CD1 4.04Å; L223-H339 PolarHBondContact O-CE1 2.85Å; L223-H339 VanDerWaalsContact O-CE1 3.24Å; L223-T351 CarbonylContact O-C 3.59Å; L223-T351 VanDerWaalsContact O-CA 3.28Å; L223-T351 WeakPolarHBondContact O-CA 3.43Å; L223-M352 PolarHBondContact N-O 3.45Å; L223-M352 PolarHBondContact O-N 2.8Å |
| 224 | S | 97.4 | Very high | 86.2 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.028 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 137.7 | 163.7 | 175.8 | 0 | 0 | 0 | 0 | 111 | S237 E349 T350 T351 | S224-S237 PolarHBondContact N-O 2.91Å; S224-S237 PolarHBondContact O-N 2.97Å; S224-E349 WeakPolarHBondContact OG-CG 3.49Å; S224-E349 PolarHBondContact OG-OE1 2.66Å; S224-T350 VanDerWaalsContact CA-O 3.23Å; S224-T350 WeakPolarHBondContact CA-O 2.82Å; S224-T350 PolarHBondContact OG-O 2.69Å; S224-T351 WeakPolarHBondContact CB-OG1 3.33Å |
| 225 | L | 97.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.4 | 173.7 | -66.7 | 179.8 | 0 | 0 | 0 | 110.9 | L234 V235 V236 L305 I327 H339 A343 E349 T350 | L225-L234 HydrophobicContact CD2-CD1 4.47Å; L225-V235 WeakPolarHBondContact CA-O 3.44Å; L225-V236 HydrophobicContact CD2-CB 4Å; L225-V236 HydrophobicContact CD2-CG1 3.79Å; L225-V236 HydrophobicContact CD2-CG2 3.64Å; L225-L305 HydrophobicContact CD2-CD1 4.15Å; L225-I327 HydrophobicContact CD1-CD1 4.02Å; L225-I327 HydrophobicContact CD1-CG2 3.74Å; L225-H339 HydrophobicContact CD1-CB 4.26Å; L225-H339 VanDerWaalsContact CG-CE1 3.47Å; L225-H339 WeakPolarHBondContact CG-CE1 3.49Å; L225-H339 PolarHBondContact N-NE2 2.79Å; L225-A343 HydrophobicContact CB-CB 3.61Å; L225-E349 WeakPolarHBondContact O-CA 3.26Å; L225-T350 PolarHBondContact N-O 2.62Å; L225-T350 VanDerWaalsContact N-O 3.08Å; L225-T350 PolarHBondContact O-N 3.01Å |
| 226 | K | 95.6 | Very high | 91 | Very high | 80 Ų | 80 | 40.8 Ų | 40.8 | 35% | 0.348 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 120.9 | 175 | -177 | -173.6 | -158.1 | 140.1 | 0 | 110.5 | L234 V235 E349 | K226-L234 CarbonylContact O-C 3.57Å; K226-L234 WeakPolarHBondContact O-CA 3.13Å; K226-V235 HydrophobicContact CB-CB 4.41Å; K226-V235 PolarHBondContact N-O 3.18Å; K226-V235 PolarHBondContact O-N 3Å; K226-E349 HydrophobicContact CB-CB 4.14Å; K226-E349 HydrophobicContact CB-CG 4.04Å; K226-E349 HydrophobicContact CD-CB 4.48Å; K226-E349 WeakPolarHBondContact CD-OE2 3.44Å; K226-E349 WeakPolarHBondContact CE-OE2 3.05Å; K226-E349 HydrophobicContact CG-CB 4.14Å; K226-E349 HydrophobicContact CG-CG 4.44Å; K226-E349 IonicContact NZ-OE2 2.84Å; K226-E349 PolarHBondContact NZ-OE2 2.78Å |
| 227 | Y | 95.2 | Very high | 92.7 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.5 | 172.7 | -173.2 | -120.5 | 0 | 0 | 0 | 111.3 | I229 K232 L234 L295 D297 L300 A343 I344 | Y227-I229 HydrophobicContact CD1-CB 4.43Å; Y227-I229 HydrophobicContact CE1-CB 4.15Å; Y227-I229 HydrophobicContact CE1-CG1 4.24Å; Y227-K232 WeakPolarHBondContact OH-CA 3.21Å; Y227-L234 HydrophobicContact CD2-CB 3.99Å; Y227-L234 HydrophobicContact CD2-CD1 4.48Å; Y227-L295 HydrophobicContact CD2-CD1 4.46Å; Y227-L295 HydrophobicContact CE2-CB 4.25Å; Y227-L295 HydrophobicContact CE2-CD1 4.16Å; Y227-L295 HydrophobicContact CE2-CG 4.46Å; Y227-D297 PolarHBondContact OH-OD1 3.23Å; Y227-L300 HydrophobicContact CE1-CD1 4.07Å; Y227-A343 WeakPolarHBondContact CB-O 3.49Å; Y227-I344 HydrophobicContact CD1-CD1 4.08Å; Y227-I344 HydrophobicContact CD2-CD1 4.1Å; Y227-I344 HydrophobicContact CG-CD1 3.67Å |
| 228 | M | 93.1 | Very high | 94 | Very high | 73 Ų | 73 | 39.2 Ų | 39.2 | 36% | 0.36 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 95.1 | 174.9 | -61.6 | 174.5 | 67.4 | 0 | 0 | 108.5 | S230 I231 K232 R233 | M228-S230 VanDerWaalsContact C-N 3.29Å; M228-S230 PolarHBondContact O-N 3.39Å; M228-I231 HydrophobicContact CB-CD1 4.26Å; M228-I231 HydrophobicContact CB-CG1 3.76Å; M228-I231 HydrophobicContact CE-CD1 3.77Å; M228-I231 HydrophobicContact CE-CG1 4.22Å; M228-I231 PolarHBondContact O-N 3.44Å; M228-I231 HydrophobicContact SD-CD1 3.98Å; M228-K232 WeakPolarHBondContact O-CA 3.49Å; M228-K232 PolarHBondContact O-N 3.13Å; M228-R233 PolarHBondContact N-O 2.77Å; M228-R233 PolarHBondContact O-N 2.9Å |
| 229 | I | 91 | Very high | 94.8 | Very high | 125 Ų | 125 | 40.2 Ų | 40.2 | 64% | 0.641 | 20% | 0.204 | S | C | * | . | G | 310 helix | trans | -58.2 | -38.2 | -175.6 | -167.4 | 166.2 | 0 | 0 | 0 | 112.9 | Y227 I231 K232 | Y227-I229 HydrophobicContact CD1-CB 4.43Å; Y227-I229 HydrophobicContact CE1-CB 4.15Å; Y227-I229 HydrophobicContact CE1-CG1 4.24Å; I229-I231 PolarHBondContact O-N 3.21Å; I229-I231 VanDerWaalsContact O-N 3.15Å; I229-K232 PolarHBondContact O-N 3.32Å; I229-K232 VanDerWaalsContact O-N 3.1Å |
| 230 | S | 91.5 | Very high | 95.2 | Very high | 104 Ų | 104 | 45.5 Ų | 45.5 | 73% | 0.727 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -58.4 | -31.7 | -178.1 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | M228 | M228-S230 VanDerWaalsContact C-N 3.29Å; M228-S230 PolarHBondContact O-N 3.39Å |
| 231 | I | 93.7 | Very high | 95.3 | Very high | 85 Ų | 85 | 43.7 Ų | 43.7 | 44% | 0.436 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -118.3 | 10.7 | 179 | 60.9 | 165.4 | 0 | 0 | 0 | 112.2 | M228 I229 R233 | M228-I231 HydrophobicContact CB-CD1 4.26Å; M228-I231 HydrophobicContact CB-CG1 3.76Å; M228-I231 HydrophobicContact CE-CD1 3.77Å; M228-I231 HydrophobicContact CE-CG1 4.22Å; M228-I231 PolarHBondContact O-N 3.44Å; M228-I231 HydrophobicContact SD-CD1 3.98Å; I229-I231 PolarHBondContact O-N 3.21Å; I229-I231 VanDerWaalsContact O-N 3.15Å; I231-R233 HydrophobicContact CD1-CB 3.67Å; I231-R233 HydrophobicContact CD1-CG 4.38Å; I231-R233 HydrophobicContact CG1-CB 3.69Å; I231-R233 PolarHBondContact O-N 2.83Å; I231-R233 VanDerWaalsContact O-N 3.16Å |
| 232 | K | 93.8 | Very high | 94.8 | Very high | 86 Ų | 86 | 49.5 Ų | 49.5 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 41.9 | -178.1 | -45 | -173.7 | -172.2 | -153.5 | 0 | 112.9 | Y227 M228 I229 T294 L295 D297 | Y227-K232 WeakPolarHBondContact OH-CA 3.21Å; M228-K232 WeakPolarHBondContact O-CA 3.49Å; M228-K232 PolarHBondContact O-N 3.13Å; I229-K232 PolarHBondContact O-N 3.32Å; I229-K232 VanDerWaalsContact O-N 3.1Å; K232-T294 CarbonylContact O-C 3.42Å; K232-T294 VanDerWaalsContact O-CA 3.26Å; K232-T294 WeakPolarHBondContact O-CA 3.39Å; K232-L295 VanDerWaalsContact CB-O 3.23Å; K232-L295 WeakPolarHBondContact CB-O 2.76Å; K232-L295 PolarHBondContact O-N 2.84Å; K232-D297 VanDerWaalsContact CD-OD2 3.27Å; K232-D297 WeakPolarHBondContact CD-OD2 3.35Å; K232-D297 WeakPolarHBondContact CE-OD2 3.2Å; K232-D297 IonicContact NZ-OD2 3.6Å; K232-D297 PolarHBondContact NZ-OD2 3.1Å |
| 233 | R | 95.1 | Very high | 94 | Very high | 105 Ų | 105 | 51.4 Ų | 51.4 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 117.3 | -172.3 | -169.6 | 177.6 | -174.9 | -172.3 | -1.8 | 110.7 | M228 I231 S292 F293 | M228-R233 PolarHBondContact N-O 2.77Å; M228-R233 PolarHBondContact O-N 2.9Å; I231-R233 HydrophobicContact CD1-CB 3.67Å; I231-R233 HydrophobicContact CD1-CG 4.38Å; I231-R233 HydrophobicContact CG1-CB 3.69Å; I231-R233 PolarHBondContact O-N 2.83Å; I231-R233 VanDerWaalsContact O-N 3.16Å; R233-S292 VanDerWaalsContact NE-CB 3.29Å; R233-S292 PolarHBondContact NE-OG 2.72Å; R233-S292 PolarHBondContact NH2-OG 3.34Å; R233-F293 WeakPolarHBondContact CA-O 3.42Å |
| 234 | L | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 127.9 | 167.9 | -179 | 68.3 | 0 | 0 | 0 | 109.7 | L225 K226 Y227 V236 S292 F293 L295 L305 W340 I344 | L225-L234 HydrophobicContact CD2-CD1 4.47Å; K226-L234 CarbonylContact O-C 3.57Å; K226-L234 WeakPolarHBondContact O-CA 3.13Å; Y227-L234 HydrophobicContact CD2-CB 3.99Å; Y227-L234 HydrophobicContact CD2-CD1 4.48Å; L234-V236 HydrophobicContact CD2-CG2 4.09Å; L234-V236 HydrophobicContact CG-CG2 4.16Å; L234-S292 CarbonylContact O-C 3.54Å; L234-S292 VanDerWaalsContact O-CA 3.23Å; L234-S292 WeakPolarHBondContact O-CA 3.11Å; L234-F293 PolarHBondContact N-O 3.14Å; L234-F293 PolarHBondContact O-N 2.46Å; L234-L295 HydrophobicContact CB-CD1 3.77Å; L234-L295 HydrophobicContact CB-CG 4.16Å; L234-L295 HydrophobicContact CD2-CD1 3.97Å; L234-L295 HydrophobicContact CG-CD1 4.46Å; L234-L305 HydrophobicContact CD2-CD1 3.69Å; L234-L305 HydrophobicContact CD2-CD2 3.81Å; L234-L305 HydrophobicContact CD2-CG 4.27Å; L234-W340 HydrophobicContact CD2-CZ3 4.21Å; L234-I344 HydrophobicContact CD1-CD1 4.08Å |
| 235 | V | 97 | Very high | 92.2 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.6 | 169.9 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | L225 K226 A290 | L225-V235 WeakPolarHBondContact CA-O 3.44Å; K226-V235 HydrophobicContact CB-CB 4.41Å; K226-V235 PolarHBondContact N-O 3.18Å; K226-V235 PolarHBondContact O-N 3Å; V235-A290 HydrophobicContact CG1-CB 4.23Å |
| 236 | V | 98 | Very high | 91 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 110.1 | 175.9 | -172.6 | 0 | 0 | 0 | 0 | 107.7 | L225 L234 F238 A290 L291 F293 L305 L307 | L225-V236 HydrophobicContact CD2-CB 4Å; L225-V236 HydrophobicContact CD2-CG1 3.79Å; L225-V236 HydrophobicContact CD2-CG2 3.64Å; L234-V236 HydrophobicContact CD2-CG2 4.09Å; L234-V236 HydrophobicContact CG-CG2 4.16Å; V236-F238 HydrophobicContact CB-CE2 4.26Å; V236-F238 HydrophobicContact CB-CZ 4.37Å; V236-F238 HydrophobicContact CG1-CE1 4.26Å; V236-F238 HydrophobicContact CG1-CE2 3.84Å; V236-F238 HydrophobicContact CG1-CZ 3.56Å; V236-F238 WeakPolarHBondContact O-CE2 3.29Å; V236-A290 CarbonylContact O-C 3.4Å; V236-A290 WeakPolarHBondContact O-CA 3.44Å; V236-L291 PolarHBondContact N-O 2.94Å; V236-L291 PolarHBondContact O-N 3.04Å; V236-F293 HydrophobicContact CG2-CD2 4.15Å; V236-F293 HydrophobicContact CG2-CE2 3.99Å; V236-L305 HydrophobicContact CG2-CD1 4.21Å; V236-L307 HydrophobicContact CG1-CD2 4.12Å |
| 237 | S | 97.9 | Very high | 89.7 | Confident | 24 Ų | 24 | 53 Ų | 53 | 17% | 0.168 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 131.1 | 179 | -55.8 | 0 | 0 | 0 | 0 | 110.2 | L223 S224 Q289 | L223-S237 CarbonylContact C-O 3.57Å; L223-S237 VanDerWaalsContact CA-O 3.24Å; L223-S237 WeakPolarHBondContact CA-O 3.45Å; S224-S237 PolarHBondContact N-O 2.91Å; S224-S237 PolarHBondContact O-N 2.97Å; S237-Q289 CarbonylContact C-O 3.53Å; S237-Q289 WeakPolarHBondContact CA-O 3.39Å |
| 238 | F | 97.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 111.8 | 179.2 | -58.5 | -89.5 | 0 | 0 | 0 | 108.4 | L221 L223 V236 V260 V262 T276 L287 N288 Q289 L291 L307 | L221-F238 HydrophobicContact CD2-CD1 4.26Å; L221-F238 HydrophobicContact CD2-CE1 4.48Å; L223-F238 HydrophobicContact CD2-CB 4.39Å; L223-F238 HydrophobicContact CD2-CD1 3.26Å; L223-F238 HydrophobicContact CD2-CE1 3.56Å; L223-F238 HydrophobicContact CD2-CG 4.02Å; V236-F238 HydrophobicContact CB-CE2 4.26Å; V236-F238 HydrophobicContact CB-CZ 4.37Å; V236-F238 HydrophobicContact CG1-CE1 4.26Å; V236-F238 HydrophobicContact CG1-CE2 3.84Å; V236-F238 HydrophobicContact CG1-CZ 3.56Å; V236-F238 WeakPolarHBondContact O-CE2 3.29Å; F238-V260 HydrophobicContact CD1-CB 4.08Å; F238-V260 HydrophobicContact CD1-CG1 4.06Å; F238-V260 HydrophobicContact CD1-CG2 3.89Å; F238-V260 HydrophobicContact CE1-CB 3.93Å; F238-V260 HydrophobicContact CE1-CG1 3.49Å; F238-V260 VanDerWaalsContact CE1-CG1 3.49Å; F238-V260 HydrophobicContact CE1-CG2 4.2Å; F238-V260 HydrophobicContact CZ-CB 4.47Å; F238-V260 HydrophobicContact CZ-CG1 4.1Å; F238-V262 HydrophobicContact CE1-CG2 4.29Å; F238-V262 HydrophobicContact CE2-CG2 4.15Å; F238-V262 HydrophobicContact CZ-CG2 3.42Å; F238-V262 VanDerWaalsContact CZ-CG2 3.42Å; F238-T276 HydrophobicContact CD2-CG2 3.82Å; F238-T276 HydrophobicContact CE2-CG2 4.08Å; F238-T276 HydrophobicContact CG-CG2 4.24Å; F238-L287 HydrophobicContact CB-CB 3.97Å; F238-L287 HydrophobicContact CB-CD1 3.87Å; F238-N288 VanDerWaalsContact O-CA 3.22Å; F238-N288 WeakPolarHBondContact O-CA 3.47Å; F238-N288 PolarHBondContact O-N 3.01Å; F238-Q289 WeakPolarHBondContact CD2-O 3.39Å; F238-Q289 PolarHBondContact N-O 3.23Å; F238-Q289 PolarHBondContact O-N 3.09Å; F238-L291 HydrophobicContact CE2-CB 4.28Å; F238-L291 HydrophobicContact CE2-CD1 3.9Å; F238-L291 HydrophobicContact CE2-CG 4Å; F238-L291 HydrophobicContact CZ-CD1 4.42Å; F238-L307 HydrophobicContact CE1-CD2 3.49Å; F238-L307 VanDerWaalsContact CE1-CD2 3.49Å; F238-L307 HydrophobicContact CZ-CD2 3.85Å |
| 239 | L | 96.3 | Very high | 86.7 | Confident | 47 Ų | 47 | 62.8 Ų | 62.8 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -73.1 | -172.6 | -60.8 | 176.4 | 0 | 0 | 0 | 110.5 | E222 L287 N288 T351 | E222-L239 HydrophobicContact CB-CB 4.24Å; E222-L239 HydrophobicContact CG-CB 4.4Å; E222-L239 HydrophobicContact CG-CD1 4.06Å; E222-L239 PolarHBondContact O-N 2.84Å; L239-L287 PolarHBondContact O-N 3.42Å; L239-N288 PolarHBondContact O-N 3.27Å; L239-N288 VanDerWaalsContact O-N 3.16Å; L239-N288 PolarHBondContact O-OD1 3.21Å; L239-T351 HydrophobicContact CD1-CG2 3.49Å; L239-T351 VanDerWaalsContact CD1-CG2 3.49Å |
| 240 | R | 94.7 | Very high | 85.2 | Confident | 111 Ų | 111 | 57.3 Ų | 57.3 | 42% | 0.419 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 172.7 | -178.1 | 56.3 | 174.2 | 175.4 | -178.4 | -0.6 | 112 | E222 L285 V286 W353 | E222-R240 HydrophobicContact CB-CG 4.19Å; E222-R240 PolarHBondContact N-O 3.32Å; E222-R240 IonicContact OE1-NH2 3.04Å; E222-R240 WeakPolarHBondContact OE2-CG 3.42Å; E222-R240 IonicContact OE2-CZ 3.88Å; E222-R240 IonicContact OE2-NE 3.01Å; E222-R240 PolarHBondContact OE2-NE 3.46Å; E222-R240 IonicContact OE2-NH2 3.55Å; E222-R240 PolarHBondContact OE2-NH2 3.29Å; R240-L285 CarbonylContact C-O 3.56Å; R240-L285 WeakPolarHBondContact CA-O 3.22Å; R240-L285 VanDerWaalsContact CB-O 3.26Å; R240-L285 WeakPolarHBondContact CB-O 3.5Å; R240-V286 HydrophobicContact CB-CG2 4.45Å; R240-W353 HydrophobicContact CG-CH2 3.92Å; R240-W353 HydrophobicContact CG-CZ2 4.45Å |
| 241 | T | 91.1 | Very high | 83.6 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 161 | 170.9 | 74.6 | 0 | 0 | 0 | 0 | 111.9 | E220 L221 I244 P284 L285 | E220-T241 CarbonylContact O-C 3.51Å; E220-T241 WeakPolarHBondContact O-CA 3.3Å; E220-T241 VanDerWaalsContact O-CB 3.25Å; E220-T241 WeakPolarHBondContact O-CB 3.42Å; L221-T241 HydrophobicContact CD1-CG2 3.79Å; T241-I244 HydrophobicContact CG2-CD1 4.18Å; T241-I244 WeakPolarHBondContact OG1-CG2 3.39Å; T241-P284 WeakPolarHBondContact O-CB 3.29Å; T241-L285 HydrophobicContact CG2-CB 4.25Å; T241-L285 HydrophobicContact CG2-CD2 4.03Å; T241-L285 PolarHBondContact N-O 3.01Å; T241-L285 WeakPolarHBondContact OG1-CB 3.34Å |
| 242 | K | 84.6 | Confident | 82 | Confident | 124 Ų | 124 | 58.5 Ų | 58.5 | 54% | 0.539 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.9 | 173.3 | 179 | -175.5 | 167.8 | -159.2 | 0 | 109.1 | G219 E220 I244 W353 | G219-K242 CarbonylContact C-O 3.55Å; G219-K242 VanDerWaalsContact CA-O 3.32Å; G219-K242 WeakPolarHBondContact CA-O 3.09Å; E220-K242 PolarHBondContact N-O 3.22Å; E220-K242 PolarHBondContact O-N 2.83Å; E220-K242 IonicContact OE2-NZ 3.53Å; K242-I244 VanDerWaalsContact C-N 3.25Å; K242-I244 PolarHBondContact O-N 3.48Å; K242-W353 HydrophobicContact CB-CE3 4.43Å; K242-W353 HydrophobicContact CB-CH2 3.77Å; K242-W353 HydrophobicContact CB-CZ3 3.61Å |
| 243 | G | 80.6 | Confident | 80.3 | Confident | 65 Ų | 65 | 57.5 Ų | 57.5 | 67% | 0.67 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 60.5 | 29.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G219 A245 | G219-G243 VanDerWaalsContact CA-O 3.28Å; G219-G243 WeakPolarHBondContact CA-O 3.15Å; G243-A245 PolarHBondContact O-N 3.13Å |
| 244 | I | 81.4 | Confident | 78.5 | Confident | 11 Ų | 11 | 58.5 Ų | 58.5 | 6% | 0.056 | 33% | 0.329 | C | S | . | . | trans | -69.4 | 127.5 | -178.7 | -167.9 | 165.5 | 0 | 0 | 0 | 111 | N218 T241 K242 V246 Y281 V309 L322 L356 | N218-I244 VanDerWaalsContact O-CA 3.26Å; N218-I244 WeakPolarHBondContact O-CA 3.08Å; N218-I244 WeakPolarHBondContact O-CG1 3.25Å; T241-I244 HydrophobicContact CG2-CD1 4.18Å; T241-I244 WeakPolarHBondContact OG1-CG2 3.39Å; K242-I244 VanDerWaalsContact C-N 3.25Å; K242-I244 PolarHBondContact O-N 3.48Å; I244-V246 HydrophobicContact CG1-CG1 4.42Å; I244-V246 HydrophobicContact CG2-CG1 4.2Å; I244-V246 PolarHBondContact O-N 2.79Å; I244-Y281 HydrophobicContact CG2-CE2 3.59Å; I244-V309 HydrophobicContact CD1-CG1 4Å; I244-L322 HydrophobicContact CD1-CB 4.37Å; I244-L322 HydrophobicContact CD1-CD1 3.46Å; I244-L322 VanDerWaalsContact CD1-CD1 3.46Å; I244-L322 HydrophobicContact CG1-CD1 3.94Å; I244-L356 HydrophobicContact CD1-CD2 3.78Å; I244-L356 HydrophobicContact CG1-CD2 4.04Å | ||
| 245 | A | 73.7 | Confident | 77 | Confident | 45 Ų | 45 | 68 Ų | 68 | 37% | 0.372 | 37% | 0.365 | S | S | . | . | trans | -81.8 | 114.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | N218 G243 L322 | N218-A245 PolarHBondContact O-N 2.63Å; G243-A245 PolarHBondContact O-N 3.13Å; A245-L322 WeakPolarHBondContact O-CD2 3.27Å | ||
| 246 | V | 72.5 | Confident | 75.9 | Confident | 26 Ų | 26 | 67.1 Ų | 67.1 | 16% | 0.158 | 36% | 0.36 | C | S | . | . | trans | -119.6 | 159 | 179.7 | -68.3 | 0 | 0 | 0 | 0 | 110.7 | I244 V250 L251 Y281 L322 | I244-V246 HydrophobicContact CG1-CG1 4.42Å; I244-V246 HydrophobicContact CG2-CG1 4.2Å; I244-V246 PolarHBondContact O-N 2.79Å; V246-V250 HydrophobicContact CB-CB 4.08Å; V246-V250 HydrophobicContact CB-CG1 3.77Å; V246-V250 HydrophobicContact CG1-CG1 4.24Å; V246-V250 HydrophobicContact CG2-CB 4.22Å; V246-V250 HydrophobicContact CG2-CG1 3.61Å; V246-L251 HydrophobicContact CG2-CD2 3.74Å; V246-L251 HydrophobicContact CG2-CG 4.06Å; V246-Y281 HydrophobicContact CG1-CD2 4Å; V246-Y281 HydrophobicContact CG1-CE2 3.67Å; V246-Y281 HydrophobicContact CG2-CD1 4.32Å; V246-Y281 HydrophobicContact CG2-CE1 3.77Å; V246-Y281 HydrophobicContact CG2-CE2 4.08Å; V246-L322 HydrophobicContact CG1-CD1 3.85Å; V246-L322 HydrophobicContact CG1-CD2 4.38Å | ||
| 247 | S | 68.9 | Low | 75.4 | Confident | 37 Ų | 37 | 69.5 Ų | 69.5 | 26% | 0.259 | 37% | 0.371 | S | S | . | . | trans | -63.8 | 158.8 | 177.1 | 73.6 | 0 | 0 | 0 | 0 | 112 | E249 V250 L251 E311 | S247-E249 PolarHBondContact O-N 2.84Å; S247-V250 WeakPolarHBondContact O-CB 3.47Å; S247-V250 PolarHBondContact O-N 3.48Å; S247-V250 PolarHBondContact OG-N 2.95Å; S247-L251 PolarHBondContact O-N 3.25Å; S247-E311 WeakPolarHBondContact CA-OE1 3.35Å; S247-E311 VanDerWaalsContact CB-OE1 3.22Å; S247-E311 WeakPolarHBondContact CB-OE1 3.26Å; S247-E311 PolarHBondContact N-OE1 2.98Å; S247-E311 PolarHBondContact N-OE2 2.87Å; S247-E311 VanDerWaalsContact OG-CD 3.27Å; S247-E311 PolarHBondContact OG-OE1 2.92Å | ||
| 248 | K | 64.3 | Low | 75 | Confident | 177 Ų | 177 | 68.4 Ų | 68.4 | 77% | 0.77 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.7 | -31.6 | 174.9 | -72.2 | -174.7 | 179.1 | -179.4 | 0 | 112.5 | V250 L251 T252 | K248-V250 VanDerWaalsContact C-N 3.28Å; K248-V250 PolarHBondContact O-N 2.97Å; K248-L251 CarbonylContact O-C 3.57Å; K248-L251 WeakPolarHBondContact O-CA 3.47Å; K248-L251 WeakPolarHBondContact O-CB 3.41Å; K248-L251 PolarHBondContact O-N 3.1Å; K248-T252 WeakPolarHBondContact O-CG2 2.99Å; K248-T252 PolarHBondContact O-N 2.9Å; K248-T252 PolarHBondContact O-OG1 3.46Å |
| 249 | E | 61.5 | Low | 74.8 | Confident | 113 Ų | 113 | 69.4 Ų | 69.4 | 53% | 0.528 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.8 | -36.9 | 177.8 | -63 | 175.9 | -173.6 | 0 | 0 | 111.9 | S247 T252 E254 | S247-E249 PolarHBondContact O-N 2.84Å; E249-T252 WeakPolarHBondContact CA-OG1 2.91Å; E249-T252 PolarHBondContact O-OG1 3.2Å; E249-T252 VanDerWaalsContact O-OG1 3.1Å; E249-E254 PolarHBondContact O-N 3.45Å |
| 250 | V | 59 | Low | 74.7 | Confident | 9 Ų | 9 | 67.1 Ų | 67.1 | 6% | 0.055 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.5 | -42.3 | 170.9 | 158.3 | 0 | 0 | 0 | 0 | 111.6 | V246 S247 K248 T252 G253 S256 Y281 E311 | V246-V250 HydrophobicContact CB-CB 4.08Å; V246-V250 HydrophobicContact CB-CG1 3.77Å; V246-V250 HydrophobicContact CG1-CG1 4.24Å; V246-V250 HydrophobicContact CG2-CB 4.22Å; V246-V250 HydrophobicContact CG2-CG1 3.61Å; S247-V250 WeakPolarHBondContact O-CB 3.47Å; S247-V250 PolarHBondContact O-N 3.48Å; S247-V250 PolarHBondContact OG-N 2.95Å; K248-V250 VanDerWaalsContact C-N 3.28Å; K248-V250 PolarHBondContact O-N 2.97Å; V250-T252 VanDerWaalsContact C-N 3.33Å; V250-T252 PolarHBondContact O-N 3.2Å; V250-G253 PolarHBondContact O-N 2.82Å; V250-S256 WeakPolarHBondContact CG2-OG 2.95Å; V250-Y281 HydrophobicContact CG1-CD1 3.23Å; V250-Y281 HydrophobicContact CG1-CD2 3.95Å; V250-Y281 HydrophobicContact CG1-CE1 3.99Å; V250-Y281 HydrophobicContact CG1-CG 3.19Å; V250-E311 WeakPolarHBondContact CB-OE1 3.15Å; V250-E311 HydrophobicContact CG2-CG 3.61Å; V250-E311 WeakPolarHBondContact CG2-OE1 3.41Å |
| 251 | L | 58.6 | Low | 74.8 | Confident | 115 Ų | 115 | 65.6 Ų | 65.6 | 60% | 0.602 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -68.1 | -32 | -179.1 | -62.4 | 175.6 | 0 | 0 | 0 | 112.8 | V246 S247 K248 G253 Y281 | V246-L251 HydrophobicContact CG2-CD2 3.74Å; V246-L251 HydrophobicContact CG2-CG 4.06Å; S247-L251 PolarHBondContact O-N 3.25Å; K248-L251 CarbonylContact O-C 3.57Å; K248-L251 WeakPolarHBondContact O-CA 3.47Å; K248-L251 WeakPolarHBondContact O-CB 3.41Å; K248-L251 PolarHBondContact O-N 3.1Å; L251-G253 PolarHBondContact O-N 3.3Å; L251-Y281 HydrophobicContact CD2-CE1 4.03Å |
| 252 | T | 60.1 | Low | 75.1 | Confident | 100 Ų | 100 | 65.4 Ų | 65.4 | 61% | 0.613 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -1 | 176.6 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | K248 E249 V250 E254 | K248-T252 WeakPolarHBondContact O-CG2 2.99Å; K248-T252 PolarHBondContact O-N 2.9Å; K248-T252 PolarHBondContact O-OG1 3.46Å; E249-T252 WeakPolarHBondContact CA-OG1 2.91Å; E249-T252 PolarHBondContact O-OG1 3.2Å; E249-T252 VanDerWaalsContact O-OG1 3.1Å; V250-T252 VanDerWaalsContact C-N 3.33Å; V250-T252 PolarHBondContact O-N 3.2Å; T252-E254 VanDerWaalsContact C-N 3.31Å; T252-E254 PolarHBondContact O-N 3.43Å |
| 253 | G | 57.1 | Low | 75.7 | Confident | 64 Ų | 64 | 61 Ų | 61 | 66% | 0.66 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 13.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V250 L251 R255 | V250-G253 PolarHBondContact O-N 2.82Å; L251-G253 PolarHBondContact O-N 3.3Å; G253-R255 PolarHBondContact O-N 3.49Å |
| 254 | E | 58.5 | Low | 76.4 | Confident | 126 Ų | 126 | 57.9 Ų | 57.9 | 59% | 0.589 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -75.8 | 85.8 | 179.6 | -73.8 | -169.7 | 152.3 | 0 | 0 | 111.2 | E249 T252 S256 H313 | E249-E254 PolarHBondContact O-N 3.45Å; T252-E254 VanDerWaalsContact C-N 3.31Å; T252-E254 PolarHBondContact O-N 3.43Å; E254-S256 WeakPolarHBondContact O-CB 3.48Å; E254-S256 PolarHBondContact O-N 3.07Å; E254-H313 PolarHBondContact O-CE1 2.84Å |
| 255 | R | 64.2 | Low | 77 | Confident | 201 Ų | 201 | 58.5 Ų | 58.5 | 76% | 0.758 | 30% | 0.301 | S | S | * | . | S | Bend | trans | 44.2 | 12.4 | 166.1 | -72.5 | -171 | -178.5 | -172.1 | 1.9 | 118 | G253 H313 | G253-R255 PolarHBondContact O-N 3.49Å; R255-H313 PolarHBondContact O-CE1 3.35Å; R255-H313 PolarHBondContact O-ND1 3.25Å |
| 256 | S | 73.7 | Confident | 78 | Confident | 10 Ų | 10 | 57.4 Ų | 57.4 | 7% | 0.07 | 29% | 0.288 | C | S | . | . | trans | -90.9 | 137.9 | -172 | -172.1 | 0 | 0 | 0 | 0 | 109.6 | V250 E254 G312 | V250-S256 WeakPolarHBondContact CG2-OG 2.95Å; E254-S256 WeakPolarHBondContact O-CB 3.48Å; E254-S256 PolarHBondContact O-N 3.07Å; S256-G312 WeakPolarHBondContact OG-CA 3.39Å; S256-G312 PolarHBondContact OG-N 2.82Å | ||
| 257 | E | 87.2 | Confident | 78.7 | Confident | 51 Ų | 51 | 60 Ų | 60 | 24% | 0.238 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 152.4 | -169.8 | -54.2 | 173.9 | 141.8 | 0 | 0 | 109.7 | P278 V279 E311 G312 | E257-P278 HydrophobicContact CB-CB 3.6Å; E257-P278 HydrophobicContact CG-CB 4.1Å; E257-P278 VanDerWaalsContact OE2-CB 3.25Å; E257-P278 WeakPolarHBondContact OE2-CB 3.34Å; E257-V279 CarbonylContact C-O 3.08Å; E257-V279 WeakPolarHBondContact CA-O 3.39Å; E257-E311 WeakPolarHBondContact O-CA 3.38Å; E257-G312 PolarHBondContact N-O 3.17Å; E257-G312 PolarHBondContact O-N 2.57Å |
| 258 | V | 89.6 | Confident | 79.5 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.5 | 175.2 | -177.8 | 0 | 0 | 0 | 0 | 109.5 | P278 V279 Y281 L285 V309 F310 L322 | V258-P278 WeakPolarHBondContact O-CA 3.44Å; V258-V279 PolarHBondContact N-O 3.12Å; V258-V279 PolarHBondContact O-N 3.19Å; V258-Y281 HydrophobicContact CG2-CD2 4.07Å; V258-L285 HydrophobicContact CB-CD1 4.38Å; V258-L285 HydrophobicContact CB-CD2 3.69Å; V258-L285 HydrophobicContact CG1-CD2 3.4Å; V258-L285 VanDerWaalsContact CG1-CD2 3.4Å; V258-L285 HydrophobicContact CG2-CD2 4.17Å; V258-V309 HydrophobicContact CG1-CG1 3.71Å; V258-F310 VanDerWaalsContact CA-O 3.27Å; V258-F310 WeakPolarHBondContact CA-O 3.28Å; V258-F310 WeakPolarHBondContact CG1-O 2.93Å; V258-L322 HydrophobicContact CG1-CD1 4.37Å; V258-L322 HydrophobicContact CG2-CD1 4.5Å |
| 259 | W | 93 | Very high | 80.8 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 8% | 0.08 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 159.9 | 172.6 | 68.7 | 92.3 | 0 | 0 | 0 | 111.2 | T276 F310 Q314 | W259-T276 WeakPolarHBondContact CA-OG1 3.35Å; W259-F310 HydrophobicContact CD2-CB 3.92Å; W259-F310 VanDerWaalsContact CE2-CB 3.41Å; W259-F310 HydrophobicContact CE3-CB 4.38Å; W259-F310 HydrophobicContact CG-CB 4.47Å; W259-F310 HydrophobicContact CH2-CB 3.98Å; W259-F310 HydrophobicContact CZ2-CB 3.46Å; W259-F310 VanDerWaalsContact CZ2-CB 3.46Å; W259-F310 HydrophobicContact CZ2-CG 4.04Å; W259-F310 HydrophobicContact CZ3-CB 4.4Å; W259-F310 PolarHBondContact N-O 2.81Å; W259-F310 AromaticContact NE1-CD2 3.86Å; W259-F310 AromaticContact NE1-CG 3.99Å; W259-F310 PolarHBondContact O-N 3.42Å; W259-Q314 HydrophobicContact CE3-CG 4.24Å; W259-Q314 HydrophobicContact CZ3-CG 4.3Å |
| 260 | V | 95.2 | Very high | 82.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.3 | 176.8 | -168.1 | 0 | 0 | 0 | 0 | 109.8 | F238 V262 K275 T276 L287 L307 L308 V309 | F238-V260 HydrophobicContact CD1-CB 4.08Å; F238-V260 HydrophobicContact CD1-CG1 4.06Å; F238-V260 HydrophobicContact CD1-CG2 3.89Å; F238-V260 HydrophobicContact CE1-CB 3.93Å; F238-V260 HydrophobicContact CE1-CG1 3.49Å; F238-V260 VanDerWaalsContact CE1-CG1 3.49Å; F238-V260 HydrophobicContact CE1-CG2 4.2Å; F238-V260 HydrophobicContact CZ-CB 4.47Å; F238-V260 HydrophobicContact CZ-CG1 4.1Å; V260-V262 HydrophobicContact CG1-CG2 4.43Å; V260-K275 CarbonylContact O-C 3.58Å; V260-K275 WeakPolarHBondContact O-CA 3.4Å; V260-T276 HydrophobicContact CB-CG2 3.9Å; V260-T276 HydrophobicContact CG2-CG2 4.44Å; V260-T276 PolarHBondContact N-OG1 3.04Å; V260-T276 PolarHBondContact O-N 2.86Å; V260-L287 HydrophobicContact CG2-CD1 3.92Å; V260-L307 HydrophobicContact CG1-CB 4.2Å; V260-L308 CarbonylContact C-O 3.55Å; V260-L308 WeakPolarHBondContact CA-O 2.87Å; V260-V309 HydrophobicContact CG1-CG2 4.44Å; V260-V309 HydrophobicContact CG2-CG2 4.18Å |
| 261 | K | 95.7 | Very high | 84.1 | Confident | 79 Ų | 79 | 60.4 Ų | 60.4 | 34% | 0.343 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.7 | 170.8 | -177.5 | 177.9 | -175.3 | 171.8 | 0 | 109 | L308 F310 | K261-L308 HydrophobicContact CB-CB 4.33Å; K261-L308 PolarHBondContact N-O 2.79Å; K261-L308 PolarHBondContact O-N 3.07Å; K261-F310 HydrophobicContact CB-CD2 4.19Å; K261-F310 HydrophobicContact CB-CE2 3.97Å; K261-F310 HydrophobicContact CD-CE2 4.2Å |
| 262 | V | 97.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128.4 | 178.6 | -175.1 | 0 | 0 | 0 | 0 | 109.3 | F238 V260 K273 K274 L291 F293 E306 L307 | F238-V262 HydrophobicContact CE1-CG2 4.29Å; F238-V262 HydrophobicContact CE2-CG2 4.15Å; F238-V262 HydrophobicContact CZ-CG2 3.42Å; F238-V262 VanDerWaalsContact CZ-CG2 3.42Å; V260-V262 HydrophobicContact CG1-CG2 4.43Å; V262-K273 WeakPolarHBondContact O-CA 3.38Å; V262-K274 PolarHBondContact N-O 2.84Å; V262-K274 PolarHBondContact O-N 3.27Å; V262-L291 HydrophobicContact CB-CD1 4.3Å; V262-L291 HydrophobicContact CG2-CD1 3.67Å; V262-F293 HydrophobicContact CB-CE2 4.42Å; V262-F293 HydrophobicContact CB-CZ 3.77Å; V262-F293 HydrophobicContact CG1-CE1 4.37Å; V262-F293 HydrophobicContact CG1-CE2 3.9Å; V262-F293 HydrophobicContact CG1-CZ 3.56Å; V262-F293 HydrophobicContact CG2-CZ 4.48Å; V262-E306 CarbonylContact C-O 3.55Å; V262-E306 WeakPolarHBondContact CA-O 3.25Å; V262-L307 HydrophobicContact CG2-CG 4.39Å |
| 263 | K | 96.9 | Very high | 87.7 | Confident | 30 Ų | 30 | 60.3 Ų | 60.3 | 13% | 0.13 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 134.3 | 167.9 | -50.3 | -166.6 | -145.9 | 126.4 | 0 | 109 | W265 V270 K272 K273 E306 | K263-W265 HydrophobicContact CD-CZ2 4.28Å; K263-V270 HydrophobicContact CB-CG1 3.96Å; K263-V270 HydrophobicContact CD-CG1 4.39Å; K263-V270 HydrophobicContact CD-CG2 4.23Å; K263-K272 WeakPolarHBondContact CA-O 3.47Å; K263-K273 HydrophobicContact CG-CG 4.25Å; K263-E306 HydrophobicContact CB-CB 4.32Å; K263-E306 VanDerWaalsContact CD-OE2 3.25Å; K263-E306 WeakPolarHBondContact CD-OE2 3.48Å; K263-E306 WeakPolarHBondContact CE-OE2 3.05Å; K263-E306 PolarHBondContact N-O 3Å; K263-E306 IonicContact NZ-OE1 2.86Å; K263-E306 PolarHBondContact NZ-OE1 2.86Å; K263-E306 IonicContact NZ-OE2 3.2Å; K263-E306 PolarHBondContact NZ-OE2 2.87Å; K263-E306 PolarHBondContact O-N 2.96Å |
| 264 | V | 96.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.7 | 170.5 | -175 | 0 | 0 | 0 | 0 | 107.2 | V270 V271 K272 F293 L295 T303 L305 | V264-V270 WeakPolarHBondContact O-CA 3.44Å; V264-V271 HydrophobicContact CB-CG2 4.18Å; V264-V271 HydrophobicContact CG1-CG2 3.97Å; V264-V271 WeakPolarHBondContact O-CG2 3.46Å; V264-V271 PolarHBondContact O-N 2.87Å; V264-K272 HydrophobicContact CB-CB 4.05Å; V264-K272 HydrophobicContact CG2-CB 4.1Å; V264-K272 PolarHBondContact N-O 3.22Å; V264-K272 PolarHBondContact O-N 2.83Å; V264-F293 HydrophobicContact CG2-CB 4.35Å; V264-F293 HydrophobicContact CG2-CD1 3.51Å; V264-F293 HydrophobicContact CG2-CD2 4.38Å; V264-F293 HydrophobicContact CG2-CE1 3.83Å; V264-F293 HydrophobicContact CG2-CG 3.82Å; V264-F293 HydrophobicContact CG2-CZ 4.42Å; V264-L295 HydrophobicContact CG1-CD2 3.89Å; V264-T303 HydrophobicContact CG1-CG2 3.77Å; V264-L305 HydrophobicContact CG1-CD2 4.37Å; V264-L305 HydrophobicContact CG2-CD2 3.9Å |
| 265 | W | 94.5 | Very high | 91.4 | Very high | 25 Ų | 25 | 61.2 Ų | 61.2 | 10% | 0.095 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 139.4 | 176.4 | -59.2 | 86.8 | 0 | 0 | 0 | 109.3 | K263 K269 V270 T303 V304 E306 T362 H364 | K263-W265 HydrophobicContact CD-CZ2 4.28Å; W265-K269 CarbonylContact C-O 3.58Å; W265-K269 VanDerWaalsContact CA-O 3.29Å; W265-K269 WeakPolarHBondContact CA-O 3.26Å; W265-V270 HydrophobicContact CD2-CB 4.47Å; W265-V270 HydrophobicContact CD2-CG2 3.64Å; W265-V270 HydrophobicContact CE3-CB 4.16Å; W265-V270 HydrophobicContact CE3-CG2 3.32Å; W265-V270 HydrophobicContact CH2-CG2 3.28Å; W265-V270 HydrophobicContact CZ2-CG2 3.5Å; W265-V270 HydrophobicContact CZ3-CB 4.31Å; W265-V270 HydrophobicContact CZ3-CG2 3.15Å; W265-T303 CarbonylContact O-C 3.54Å; W265-T303 VanDerWaalsContact O-CA 3.23Å; W265-T303 WeakPolarHBondContact O-CA 3.46Å; W265-V304 HydrophobicContact CB-CB 4.19Å; W265-V304 PolarHBondContact N-O 2.78Å; W265-V304 PolarHBondContact O-N 2.84Å; W265-E306 VanDerWaalsContact CZ2-OE2 3.29Å; W265-E306 WeakPolarHBondContact CZ2-OE2 3.13Å; W265-E306 VanDerWaalsContact NE1-CB 3.34Å; W265-E306 PolarHBondContact NE1-OE2 2.85Å; W265-T362 HydrophobicContact CH2-CG2 3.44Å; W265-T362 VanDerWaalsContact CH2-CG2 3.44Å; W265-T362 HydrophobicContact CZ2-CG2 3.28Å; W265-H364 AromaticContact CD2-CD2 3.5Å; W265-H364 AromaticContact CD2-NE2 3.18Å; W265-H364 AromaticContact CE3-CD2 2.89Å; W265-H364 AromaticContact CE3-NE2 2.89Å; W265-H364 AromaticContact CG-NE2 3.57Å; W265-H364 AromaticContact CH2-CD2 3.57Å; W265-H364 AromaticContact CZ3-CD2 2.92Å; W265-H364 WeakPolarHBondContact CZ3-CD2 3.29Å; W265-H364 AromaticContact CZ3-CG 3.97Å; W265-H364 AromaticContact CZ3-NE2 3.52Å |
| 266 | Q | 92.8 | Very high | 92.9 | Very high | 21 Ų | 21 | 51.8 Ų | 51.8 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 134.2 | 171.7 | -68.3 | -175.2 | -33.6 | 0 | 0 | 107.5 | S268 K269 V271 H299 T303 | Q266-S268 PolarHBondContact O-N 3.3Å; Q266-K269 PolarHBondContact N-O 2.66Å; Q266-K269 PolarHBondContact O-N 2.9Å; Q266-V271 HydrophobicContact CB-CG1 3.98Å; Q266-V271 HydrophobicContact CB-CG2 4.16Å; Q266-V271 HydrophobicContact CG-CG1 4.48Å; Q266-V271 HydrophobicContact CG-CG2 3.78Å; Q266-H299 HydrophobicContact CB-CB 4.12Å; Q266-H299 HydrophobicContact CG-CB 4.01Å; Q266-T303 HydrophobicContact CG-CG2 4.42Å; Q266-T303 WeakPolarHBondContact CG-OG1 3.39Å; Q266-T303 PolarHBondContact NE2-OG1 2.8Å |
| 267 | D | 88.7 | Confident | 93.9 | Very high | 82 Ų | 82 | 57.8 Ų | 57.8 | 44% | 0.439 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.5 | 43.3 | -179.5 | -54.7 | -29.2 | 0 | 0 | 0 | 113.9 | K269 H299 T302 | D267-K269 VanDerWaalsContact C-N 3.31Å; D267-K269 PolarHBondContact O-N 3.32Å; D267-H299 IonicContact OD1-ND1 2.67Å; D267-H299 IonicContact OD2-CE1 2.74Å; D267-H299 PolarHBondContact OD2-CE1 3.09Å; D267-H299 IonicContact OD2-CG 3.77Å; D267-H299 IonicContact OD2-ND1 2.76Å; D267-H299 PolarHBondContact OD2-ND1 3.38Å; D267-T302 PolarHBondContact N-OG1 3.2Å; D267-T302 VanDerWaalsContact OD1-CB 3.26Å; D267-T302 WeakPolarHBondContact OD1-CB 3.01Å; D267-T302 VanDerWaalsContact OD1-CG2 3.28Å; D267-T302 WeakPolarHBondContact OD1-CG2 3.35Å; D267-T302 PolarHBondContact OD1-OG1 3.47Å |
| 268 | S | 85.1 | Confident | 94.1 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 53% | 0.531 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.6 | 14.8 | -177.7 | -54.9 | 0 | 0 | 0 | 0 | 119.4 | Q266 H364 | Q266-S268 PolarHBondContact O-N 3.3Å; S268-H364 WeakPolarHBondContact CA-CE1 3.31Å; S268-H364 WeakPolarHBondContact CA-ND1 3.33Å; S268-H364 WeakPolarHBondContact CB-ND1 3.3Å; S268-H364 PolarHBondContact OG-ND1 3.5Å |
| 269 | K | 92.4 | Very high | 94.2 | Very high | 154 Ų | 154 | 58.3 Ų | 58.3 | 67% | 0.67 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 140.1 | 179 | -63.6 | 176.6 | -176.4 | 173.8 | 0 | 110.6 | W265 Q266 D267 V271 | W265-K269 CarbonylContact C-O 3.58Å; W265-K269 VanDerWaalsContact CA-O 3.29Å; W265-K269 WeakPolarHBondContact CA-O 3.26Å; Q266-K269 PolarHBondContact N-O 2.66Å; Q266-K269 PolarHBondContact O-N 2.9Å; D267-K269 VanDerWaalsContact C-N 3.31Å; D267-K269 PolarHBondContact O-N 3.32Å; K269-V271 PolarHBondContact O-N 3.01Å |
| 270 | V | 94.4 | Very high | 93.8 | Very high | 45 Ų | 45 | 66.6 Ų | 66.6 | 27% | 0.273 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 114 | 170.2 | -170.2 | 0 | 0 | 0 | 0 | 108.5 | K263 V264 W265 K272 K273 | K263-V270 HydrophobicContact CB-CG1 3.96Å; K263-V270 HydrophobicContact CD-CG1 4.39Å; K263-V270 HydrophobicContact CD-CG2 4.23Å; V264-V270 WeakPolarHBondContact O-CA 3.44Å; W265-V270 HydrophobicContact CD2-CB 4.47Å; W265-V270 HydrophobicContact CD2-CG2 3.64Å; W265-V270 HydrophobicContact CE3-CB 4.16Å; W265-V270 HydrophobicContact CE3-CG2 3.32Å; W265-V270 HydrophobicContact CH2-CG2 3.28Å; W265-V270 HydrophobicContact CZ2-CG2 3.5Å; W265-V270 HydrophobicContact CZ3-CB 4.31Å; W265-V270 HydrophobicContact CZ3-CG2 3.15Å; V270-K272 WeakPolarHBondContact CG1-O 3.49Å; V270-K273 HydrophobicContact CG1-CD 4.14Å; V270-K273 VanDerWaalsContact CG1-CE 3.41Å; V270-K273 HydrophobicContact CG1-CG 3.58Å |
| 271 | V | 94.9 | Very high | 93.2 | Very high | 68 Ų | 68 | 68.9 Ų | 68.9 | 41% | 0.412 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | -28.9 | 178.8 | -67 | 0 | 0 | 0 | 0 | 112.5 | V264 Q266 K269 | V264-V271 HydrophobicContact CB-CG2 4.18Å; V264-V271 HydrophobicContact CG1-CG2 3.97Å; V264-V271 WeakPolarHBondContact O-CG2 3.46Å; V264-V271 PolarHBondContact O-N 2.87Å; Q266-V271 HydrophobicContact CB-CG1 3.98Å; Q266-V271 HydrophobicContact CB-CG2 4.16Å; Q266-V271 HydrophobicContact CG-CG1 4.48Å; Q266-V271 HydrophobicContact CG-CG2 3.78Å; K269-V271 PolarHBondContact O-N 3.01Å |
| 272 | K | 96.6 | Very high | 92.3 | Very high | 79 Ų | 79 | 67.6 Ų | 67.6 | 34% | 0.343 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 145.7 | -180 | -59.9 | -175.2 | 177.6 | -175.9 | 0 | 111.4 | K263 V264 V270 F293 T294 | K263-K272 WeakPolarHBondContact CA-O 3.47Å; V264-K272 HydrophobicContact CB-CB 4.05Å; V264-K272 HydrophobicContact CG2-CB 4.1Å; V264-K272 PolarHBondContact N-O 3.22Å; V264-K272 PolarHBondContact O-N 2.83Å; V270-K272 WeakPolarHBondContact CG1-O 3.49Å; K272-F293 HydrophobicContact CB-CD1 4.05Å; K272-F293 HydrophobicContact CB-CE1 4.48Å; K272-F293 HydrophobicContact CD-CD1 4.42Å; K272-T294 WeakPolarHBondContact CE-O 3.01Å; K272-T294 PolarHBondContact NZ-O 2.94Å |
| 273 | K | 97.1 | Very high | 91.3 | Very high | 135 Ų | 135 | 72.6 Ų | 72.6 | 59% | 0.587 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 130.9 | 175 | -61.6 | 177.8 | -175.1 | 166.8 | 0 | 109 | V262 K263 V270 | V262-K273 WeakPolarHBondContact O-CA 3.38Å; K263-K273 HydrophobicContact CG-CG 4.25Å; V270-K273 HydrophobicContact CG1-CD 4.14Å; V270-K273 VanDerWaalsContact CG1-CE 3.41Å; V270-K273 HydrophobicContact CG1-CG 3.58Å |
| 274 | K | 97.9 | Very high | 90.5 | Very high | 92 Ų | 92 | 74.5 Ų | 74.5 | 40% | 0.4 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 161 | 170.5 | -70.1 | -171.6 | 174.4 | -172.8 | 0 | 109.6 | V262 L291 S292 F293 | V262-K274 PolarHBondContact N-O 2.84Å; V262-K274 PolarHBondContact O-N 3.27Å; K274-L291 HydrophobicContact CB-CD1 3.97Å; K274-L291 HydrophobicContact CB-CD2 4.25Å; K274-S292 PolarHBondContact NZ-O 2.63Å; K274-F293 HydrophobicContact CB-CE1 3.85Å; K274-F293 HydrophobicContact CB-CZ 3.89Å; K274-F293 HydrophobicContact CD-CD1 4.28Å; K274-F293 HydrophobicContact CD-CE1 3.76Å; K274-F293 HydrophobicContact CD-CZ 4.09Å; K274-F293 HydrophobicContact CG-CE1 3.7Å; K274-F293 HydrophobicContact CG-CZ 4.17Å |
| 275 | K | 95.8 | Very high | 90 | Very high | 117 Ų | 117 | 74.5 Ų | 74.5 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 150.5 | 172.2 | 63.4 | 172.8 | -176 | 167.8 | 0 | 110.3 | V260 Q314 | V260-K275 CarbonylContact O-C 3.58Å; V260-K275 WeakPolarHBondContact O-CA 3.4Å; K275-Q314 VanDerWaalsContact NZ-NE2 3.14Å |
| 276 | T | 96.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.012 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 161.8 | 169.5 | 67.5 | 0 | 0 | 0 | 0 | 109.8 | F238 W259 V260 Q289 L291 | F238-T276 HydrophobicContact CD2-CG2 3.82Å; F238-T276 HydrophobicContact CE2-CG2 4.08Å; F238-T276 HydrophobicContact CG-CG2 4.24Å; W259-T276 WeakPolarHBondContact CA-OG1 3.35Å; V260-T276 HydrophobicContact CB-CG2 3.9Å; V260-T276 HydrophobicContact CG2-CG2 4.44Å; V260-T276 PolarHBondContact N-OG1 3.04Å; V260-T276 PolarHBondContact O-N 2.86Å; T276-Q289 HydrophobicContact CG2-CB 4.47Å; T276-L291 HydrophobicContact CG2-CD1 4.03Å; T276-L291 HydrophobicContact CG2-CG 4.35Å |
| 277 | Q | 94.2 | Very high | 89.9 | Confident | 136 Ų | 136 | 75.8 Ų | 75.8 | 64% | 0.636 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 142.3 | 162 | -61.6 | -61.7 | -19.4 | 0 | 0 | 108.8 | Q289 | Q277-Q289 PolarHBondContact O-NE2 2.93Å; Q277-Q289 PolarHBondContact O-OE1 3.1Å |
| 278 | P | 91.5 | Very high | 90.3 | Very high | 28 Ų | 28 | 77.4 Ų | 77.4 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -60 | 144.8 | 171.6 | -19.4 | 32.2 | 0 | 0 | 0 | 111.5 | E257 V258 Q314 | E257-P278 HydrophobicContact CB-CB 3.6Å; E257-P278 HydrophobicContact CG-CB 4.1Å; E257-P278 VanDerWaalsContact OE2-CB 3.25Å; E257-P278 WeakPolarHBondContact OE2-CB 3.34Å; V258-P278 WeakPolarHBondContact O-CA 3.44Å; P278-Q314 HydrophobicContact CB-CG 4.27Å; P278-Q314 HydrophobicContact CG-CG 3.38Å; P278-Q314 VanDerWaalsContact CG-OE1 3.23Å |
| 279 | V | 90.5 | Very high | 90.8 | Very high | 34 Ų | 34 | 75.9 Ų | 75.9 | 21% | 0.206 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 137.4 | 172.5 | -173 | 0 | 0 | 0 | 0 | 107.6 | E257 V258 Y281 L285 L287 | E257-V279 CarbonylContact C-O 3.08Å; E257-V279 WeakPolarHBondContact CA-O 3.39Å; V258-V279 PolarHBondContact N-O 3.12Å; V258-V279 PolarHBondContact O-N 3.19Å; V279-Y281 PolarHBondContact O-N 2.85Å; V279-L285 HydrophobicContact CB-CD1 4.48Å; V279-L285 HydrophobicContact CG1-CD1 4.38Å; V279-L287 HydrophobicContact CB-CD2 4.49Å; V279-L287 HydrophobicContact CG2-CD2 4.09Å |
| 280 | R | 86.5 | Confident | 91.1 | Very high | 195 Ų | 195 | 71.4 Ų | 71.4 | 74% | 0.736 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.8 | 138.9 | 171.2 | -70.4 | -176 | -178 | 143.2 | 1.6 | 109.4 | S282 | R280-S282 PolarHBondContact O-N 2.84Å |
| 281 | Y | 80.6 | Confident | 91.3 | Very high | 48 Ų | 48 | 70.3 Ų | 70.3 | 19% | 0.188 | 36% | 0.364 | C | S | . | . | trans | -62.3 | 139.4 | -178.7 | -175.8 | -105.8 | 0 | 0 | 0 | 112.2 | I244 V246 V250 L251 V258 V279 L285 | I244-Y281 HydrophobicContact CG2-CE2 3.59Å; V246-Y281 HydrophobicContact CG1-CD2 4Å; V246-Y281 HydrophobicContact CG1-CE2 3.67Å; V246-Y281 HydrophobicContact CG2-CD1 4.32Å; V246-Y281 HydrophobicContact CG2-CE1 3.77Å; V246-Y281 HydrophobicContact CG2-CE2 4.08Å; V250-Y281 HydrophobicContact CG1-CD1 3.23Å; V250-Y281 HydrophobicContact CG1-CD2 3.95Å; V250-Y281 HydrophobicContact CG1-CE1 3.99Å; V250-Y281 HydrophobicContact CG1-CG 3.19Å; L251-Y281 HydrophobicContact CD2-CE1 4.03Å; V258-Y281 HydrophobicContact CG2-CD2 4.07Å; V279-Y281 PolarHBondContact O-N 2.85Å; Y281-L285 HydrophobicContact CD2-CB 4.34Å; Y281-L285 HydrophobicContact CD2-CD1 4.34Å; Y281-L285 HydrophobicContact CE2-CB 4.27Å | ||
| 282 | S | 77.4 | Confident | 91.4 | Very high | 52 Ų | 52 | 68.3 Ų | 68.3 | 36% | 0.364 | 35% | 0.353 | S | S | . | . | trans | -140 | 160.3 | 169.1 | 42.3 | 0 | 0 | 0 | 0 | 107.5 | R280 P284 L285 | R280-S282 PolarHBondContact O-N 2.84Å; S282-P284 VanDerWaalsContact C-C 3.46Å; S282-P284 CarbonylContact C-O 3.57Å; S282-P284 CarbonylContact O-C 3.58Å; S282-P284 PolarHBondContact OG-O 2.94Å; S282-L285 WeakPolarHBondContact O-CA 3.16Å; S282-L285 PolarHBondContact O-N 2.5Å | ||
| 283 | S | 76.3 | Confident | 91.4 | Very high | 105 Ų | 105 | 64.7 Ų | 64.7 | 73% | 0.734 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -119.7 | 111 | 174.7 | -173.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 284 | P | 81 | Confident | 91.4 | Very high | 71 Ų | 71 | 62.1 Ų | 62.1 | 46% | 0.461 | 33% | 0.333 | S | S | . | . | S | Bend | cis | -68.5 | 153.9 | -3.6 | 31 | -35.3 | 0 | 0 | 0 | 112.3 | T241 S282 V286 | T241-P284 WeakPolarHBondContact O-CB 3.29Å; S282-P284 VanDerWaalsContact C-C 3.46Å; S282-P284 CarbonylContact C-O 3.57Å; S282-P284 CarbonylContact O-C 3.58Å; S282-P284 PolarHBondContact OG-O 2.94Å; P284-V286 PolarHBondContact O-N 3.24Å |
| 285 | L | 86.1 | Confident | 91.2 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 121.8 | 174.2 | 173.7 | 71.2 | 0 | 0 | 0 | 108.3 | R240 T241 V258 V279 Y281 S282 L287 | R240-L285 CarbonylContact C-O 3.56Å; R240-L285 WeakPolarHBondContact CA-O 3.22Å; R240-L285 VanDerWaalsContact CB-O 3.26Å; R240-L285 WeakPolarHBondContact CB-O 3.5Å; T241-L285 HydrophobicContact CG2-CB 4.25Å; T241-L285 HydrophobicContact CG2-CD2 4.03Å; T241-L285 PolarHBondContact N-O 3.01Å; T241-L285 WeakPolarHBondContact OG1-CB 3.34Å; V258-L285 HydrophobicContact CB-CD1 4.38Å; V258-L285 HydrophobicContact CB-CD2 3.69Å; V258-L285 HydrophobicContact CG1-CD2 3.4Å; V258-L285 VanDerWaalsContact CG1-CD2 3.4Å; V258-L285 HydrophobicContact CG2-CD2 4.17Å; V279-L285 HydrophobicContact CB-CD1 4.48Å; V279-L285 HydrophobicContact CG1-CD1 4.38Å; Y281-L285 HydrophobicContact CD2-CB 4.34Å; Y281-L285 HydrophobicContact CD2-CD1 4.34Å; Y281-L285 HydrophobicContact CE2-CB 4.27Å; S282-L285 WeakPolarHBondContact O-CA 3.16Å; S282-L285 PolarHBondContact O-N 2.5Å; L285-L287 HydrophobicContact CD2-CD2 4.23Å; L285-L287 HydrophobicContact CD2-CG 4.25Å; L285-L287 HydrophobicContact CG-CG 4.34Å |
| 286 | V | 92.3 | Very high | 90.8 | Very high | 63 Ų | 63 | 54.9 Ų | 54.9 | 38% | 0.382 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 118.1 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 109.1 | R240 P284 N288 | R240-V286 HydrophobicContact CB-CG2 4.45Å; P284-V286 PolarHBondContact O-N 3.24Å; V286-N288 HydrophobicContact CG1-CB 4.42Å; V286-N288 VanDerWaalsContact CG1-ND2 3.27Å; V286-N288 WeakPolarHBondContact CG1-ND2 3.13Å |
| 287 | L | 93.5 | Very high | 90.2 | Very high | 10 Ų | 10 | 57.7 Ų | 57.7 | 5% | 0.052 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -53.7 | 179.7 | -70.8 | 161.1 | 0 | 0 | 0 | 110.6 | L221 F238 L239 V260 V279 L285 Q289 | L221-L287 HydrophobicContact CD1-CD1 3.89Å; F238-L287 HydrophobicContact CB-CB 3.97Å; F238-L287 HydrophobicContact CB-CD1 3.87Å; L239-L287 PolarHBondContact O-N 3.42Å; V260-L287 HydrophobicContact CG2-CD1 3.92Å; V279-L287 HydrophobicContact CB-CD2 4.49Å; V279-L287 HydrophobicContact CG2-CD2 4.09Å; L285-L287 HydrophobicContact CD2-CD2 4.23Å; L285-L287 HydrophobicContact CD2-CG 4.25Å; L285-L287 HydrophobicContact CG-CG 4.34Å; L287-Q289 VanDerWaalsContact C-N 3.28Å; L287-Q289 WeakPolarHBondContact O-CG 3.46Å; L287-Q289 PolarHBondContact O-N 3.32Å |
| 288 | N | 95.2 | Very high | 89.9 | Confident | 115 Ų | 115 | 55.3 Ų | 55.3 | 62% | 0.615 | 33% | 0.326 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 44.9 | 47.6 | -174.9 | -70.7 | -18.3 | 0 | 0 | 0 | 114.1 | F238 L239 V286 | F238-N288 VanDerWaalsContact O-CA 3.22Å; F238-N288 WeakPolarHBondContact O-CA 3.47Å; F238-N288 PolarHBondContact O-N 3.01Å; L239-N288 PolarHBondContact O-N 3.27Å; L239-N288 VanDerWaalsContact O-N 3.16Å; L239-N288 PolarHBondContact O-OD1 3.21Å; V286-N288 HydrophobicContact CG1-CB 4.42Å; V286-N288 VanDerWaalsContact CG1-ND2 3.27Å; V286-N288 WeakPolarHBondContact CG1-ND2 3.13Å |
| 289 | Q | 97.6 | Very high | 89.8 | Confident | 44 Ų | 44 | 56.9 Ų | 56.9 | 21% | 0.206 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 153.7 | 179.3 | -70.1 | -179.2 | 34.9 | 0 | 0 | 111.1 | S237 F238 T276 Q277 L287 | S237-Q289 CarbonylContact C-O 3.53Å; S237-Q289 WeakPolarHBondContact CA-O 3.39Å; F238-Q289 WeakPolarHBondContact CD2-O 3.39Å; F238-Q289 PolarHBondContact N-O 3.23Å; F238-Q289 PolarHBondContact O-N 3.09Å; T276-Q289 HydrophobicContact CG2-CB 4.47Å; Q277-Q289 PolarHBondContact O-NE2 2.93Å; Q277-Q289 PolarHBondContact O-OE1 3.1Å; L287-Q289 VanDerWaalsContact C-N 3.28Å; L287-Q289 WeakPolarHBondContact O-CG 3.46Å; L287-Q289 PolarHBondContact O-N 3.32Å |
| 290 | A | 97.7 | Very high | 89.9 | Confident | 60 Ų | 60 | 56.4 Ų | 56.4 | 50% | 0.496 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 141.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | V235 V236 | V235-A290 HydrophobicContact CG1-CB 4.23Å; V236-A290 CarbonylContact O-C 3.4Å; V236-A290 WeakPolarHBondContact O-CA 3.44Å |
| 291 | L | 98.2 | Very high | 90 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 12% | 0.115 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.8 | 172.6 | -62.5 | 177.7 | 0 | 0 | 0 | 108.9 | V236 F238 V262 K274 T276 F293 | V236-L291 PolarHBondContact N-O 2.94Å; V236-L291 PolarHBondContact O-N 3.04Å; F238-L291 HydrophobicContact CE2-CB 4.28Å; F238-L291 HydrophobicContact CE2-CD1 3.9Å; F238-L291 HydrophobicContact CE2-CG 4Å; F238-L291 HydrophobicContact CZ-CD1 4.42Å; V262-L291 HydrophobicContact CB-CD1 4.3Å; V262-L291 HydrophobicContact CG2-CD1 3.67Å; K274-L291 HydrophobicContact CB-CD1 3.97Å; K274-L291 HydrophobicContact CB-CD2 4.25Å; T276-L291 HydrophobicContact CG2-CD1 4.03Å; T276-L291 HydrophobicContact CG2-CG 4.35Å; L291-F293 HydrophobicContact CB-CE2 3.84Å; L291-F293 HydrophobicContact CB-CZ 4.01Å |
| 292 | S | 97.3 | Very high | 90.5 | Very high | 27 Ų | 27 | 54.8 Ų | 54.8 | 19% | 0.189 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142.2 | 178.1 | 71.5 | 0 | 0 | 0 | 0 | 113 | R233 L234 K274 | R233-S292 VanDerWaalsContact NE-CB 3.29Å; R233-S292 PolarHBondContact NE-OG 2.72Å; R233-S292 PolarHBondContact NH2-OG 3.34Å; L234-S292 CarbonylContact O-C 3.54Å; L234-S292 VanDerWaalsContact O-CA 3.23Å; L234-S292 WeakPolarHBondContact O-CA 3.11Å; K274-S292 PolarHBondContact NZ-O 2.63Å |
| 293 | F | 97.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.009 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 126.6 | -179.6 | -54.4 | -89.9 | 0 | 0 | 0 | 109.5 | R233 L234 V236 V262 V264 K272 K274 L291 L295 | R233-F293 WeakPolarHBondContact CA-O 3.42Å; L234-F293 PolarHBondContact N-O 3.14Å; L234-F293 PolarHBondContact O-N 2.46Å; V236-F293 HydrophobicContact CG2-CD2 4.15Å; V236-F293 HydrophobicContact CG2-CE2 3.99Å; V262-F293 HydrophobicContact CB-CE2 4.42Å; V262-F293 HydrophobicContact CB-CZ 3.77Å; V262-F293 HydrophobicContact CG1-CE1 4.37Å; V262-F293 HydrophobicContact CG1-CE2 3.9Å; V262-F293 HydrophobicContact CG1-CZ 3.56Å; V262-F293 HydrophobicContact CG2-CZ 4.48Å; V264-F293 HydrophobicContact CG2-CB 4.35Å; V264-F293 HydrophobicContact CG2-CD1 3.51Å; V264-F293 HydrophobicContact CG2-CD2 4.38Å; V264-F293 HydrophobicContact CG2-CE1 3.83Å; V264-F293 HydrophobicContact CG2-CG 3.82Å; V264-F293 HydrophobicContact CG2-CZ 4.42Å; K272-F293 HydrophobicContact CB-CD1 4.05Å; K272-F293 HydrophobicContact CB-CE1 4.48Å; K272-F293 HydrophobicContact CD-CD1 4.42Å; K274-F293 HydrophobicContact CB-CE1 3.85Å; K274-F293 HydrophobicContact CB-CZ 3.89Å; K274-F293 HydrophobicContact CD-CD1 4.28Å; K274-F293 HydrophobicContact CD-CE1 3.76Å; K274-F293 HydrophobicContact CD-CZ 4.09Å; K274-F293 HydrophobicContact CG-CE1 3.7Å; K274-F293 HydrophobicContact CG-CZ 4.17Å; L291-F293 HydrophobicContact CB-CE2 3.84Å; L291-F293 HydrophobicContact CB-CZ 4.01Å; F293-L295 HydrophobicContact CB-CD2 4.17Å |
| 294 | T | 95.9 | Very high | 92.1 | Very high | 82 Ų | 82 | 48.7 Ų | 48.7 | 50% | 0.503 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 130.6 | 163.3 | -46.8 | 0 | 0 | 0 | 0 | 107.9 | K232 K272 | K232-T294 CarbonylContact O-C 3.42Å; K232-T294 VanDerWaalsContact O-CA 3.26Å; K232-T294 WeakPolarHBondContact O-CA 3.39Å; K272-T294 WeakPolarHBondContact CE-O 3.01Å; K272-T294 PolarHBondContact NZ-O 2.94Å |
| 295 | L | 93.4 | Very high | 92.9 | Very high | 8 Ų | 8 | 45.3 Ų | 45.3 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | trans | -111.6 | 160.6 | 176.2 | -58.3 | -177.5 | 0 | 0 | 0 | 109.4 | Y227 K232 L234 V264 F293 L300 T303 W340 | Y227-L295 HydrophobicContact CD2-CD1 4.46Å; Y227-L295 HydrophobicContact CE2-CB 4.25Å; Y227-L295 HydrophobicContact CE2-CD1 4.16Å; Y227-L295 HydrophobicContact CE2-CG 4.46Å; K232-L295 VanDerWaalsContact CB-O 3.23Å; K232-L295 WeakPolarHBondContact CB-O 2.76Å; K232-L295 PolarHBondContact O-N 2.84Å; L234-L295 HydrophobicContact CB-CD1 3.77Å; L234-L295 HydrophobicContact CB-CG 4.16Å; L234-L295 HydrophobicContact CD2-CD1 3.97Å; L234-L295 HydrophobicContact CG-CD1 4.46Å; V264-L295 HydrophobicContact CG1-CD2 3.89Å; F293-L295 HydrophobicContact CB-CD2 4.17Å; L295-L300 HydrophobicContact CB-CD2 4.12Å; L295-L300 HydrophobicContact CD1-CD2 3.83Å; L295-T303 HydrophobicContact CD1-CG2 4.39Å; L295-T303 HydrophobicContact CD2-CG2 4.41Å; L295-W340 HydrophobicContact CD1-CH2 4.32Å | ||
| 296 | S | 88.7 | Confident | 93.3 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 34% | 0.336 | 27% | 0.268 | S | S | . | . | trans | -100.5 | 129.1 | 169.6 | 178 | 0 | 0 | 0 | 0 | 107.8 | A298 H299 | S296-A298 PolarHBondContact O-N 2.87Å; S296-H299 PolarHBondContact O-N 3.4Å; S296-H299 VanDerWaalsContact O-N 3.13Å | ||
| 297 | D | 82.7 | Confident | 93.5 | Very high | 62 Ų | 62 | 42.3 Ų | 42.3 | 33% | 0.332 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -59.2 | -31.9 | -179.9 | -56.4 | -37.8 | 0 | 0 | 0 | 111.7 | Y227 K232 H299 L300 | Y227-D297 PolarHBondContact OH-OD1 3.23Å; K232-D297 VanDerWaalsContact CD-OD2 3.27Å; K232-D297 WeakPolarHBondContact CD-OD2 3.35Å; K232-D297 WeakPolarHBondContact CE-OD2 3.2Å; K232-D297 IonicContact NZ-OD2 3.6Å; K232-D297 PolarHBondContact NZ-OD2 3.1Å; D297-H299 PolarHBondContact O-N 3.15Å; D297-H299 VanDerWaalsContact O-N 3.08Å; D297-L300 HydrophobicContact CB-CD1 4.34Å; D297-L300 PolarHBondContact O-N 3.46Å |
| 298 | A | 88.8 | Confident | 93.5 | Very high | 85 Ų | 85 | 42.1 Ų | 42.1 | 70% | 0.702 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -61.8 | -17.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S296 | S296-A298 PolarHBondContact O-N 2.87Š|
| 299 | H | 90.2 | Very high | 93.4 | Very high | 61 Ų | 61 | 36.7 Ų | 36.7 | 28% | 0.282 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -122.3 | 12.6 | -176.4 | -57.3 | -71.9 | 0 | 0 | 0 | 112.7 | Q266 D267 S296 D297 E301 T302 T303 | Q266-H299 HydrophobicContact CB-CB 4.12Å; Q266-H299 HydrophobicContact CG-CB 4.01Å; D267-H299 IonicContact OD1-ND1 2.67Å; D267-H299 IonicContact OD2-CE1 2.74Å; D267-H299 PolarHBondContact OD2-CE1 3.09Å; D267-H299 IonicContact OD2-CG 3.77Å; D267-H299 IonicContact OD2-ND1 2.76Å; D267-H299 PolarHBondContact OD2-ND1 3.38Å; S296-H299 PolarHBondContact O-N 3.4Å; S296-H299 VanDerWaalsContact O-N 3.13Å; D297-H299 PolarHBondContact O-N 3.15Å; D297-H299 VanDerWaalsContact O-N 3.08Å; H299-E301 VanDerWaalsContact C-N 3.3Å; H299-E301 PolarHBondContact O-N 3.21Å; H299-T302 CarbonylContact O-C 3.47Å; H299-T302 PolarHBondContact O-N 3.29Å; H299-T302 PolarHBondContact O-OG1 3.3Å; H299-T303 WeakPolarHBondContact O-CB 3.5Å; H299-T303 PolarHBondContact O-N 3.04Å; H299-T303 PolarHBondContact O-OG1 2.85Å |
| 300 | L | 90.9 | Very high | 93.1 | Very high | 25 Ų | 25 | 36 Ų | 36 | 13% | 0.131 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -39.6 | -177.1 | -76.4 | 173.1 | 0 | 0 | 0 | 112.2 | Y227 L295 D297 T302 T303 W340 I344 | Y227-L300 HydrophobicContact CE1-CD1 4.07Å; L295-L300 HydrophobicContact CB-CD2 4.12Å; L295-L300 HydrophobicContact CD1-CD2 3.83Å; D297-L300 HydrophobicContact CB-CD1 4.34Å; D297-L300 PolarHBondContact O-N 3.46Å; L300-T302 VanDerWaalsContact C-N 3.27Å; L300-T302 PolarHBondContact O-N 3.4Å; L300-T303 WeakPolarHBondContact O-CB 3.41Å; L300-T303 PolarHBondContact O-N 3.49Å; L300-T303 VanDerWaalsContact O-N 3.13Å; L300-W340 WeakPolarHBondContact O-CZ2 3.33Å; L300-I344 HydrophobicContact CD1-CG2 4.22Å; L300-I344 HydrophobicContact CD2-CG2 4.33Å |
| 301 | E | 89.3 | Confident | 92.5 | Very high | 149 Ų | 149 | 33.3 Ų | 33.3 | 70% | 0.696 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -33.7 | 177.8 | -62.9 | -176.5 | 170.9 | 0 | 0 | 112.7 | H299 Q329 | H299-E301 VanDerWaalsContact C-N 3.3Å; H299-E301 PolarHBondContact O-N 3.21Å; E301-Q329 PolarHBondContact O-OE1 3.03Å |
| 302 | T | 91.3 | Very high | 91.7 | Very high | 60 Ų | 60 | 32.7 Ų | 32.7 | 37% | 0.368 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 1.5 | 178.4 | 70.2 | 0 | 0 | 0 | 0 | 113 | D267 H299 L300 V304 | D267-T302 PolarHBondContact N-OG1 3.2Å; D267-T302 VanDerWaalsContact OD1-CB 3.26Å; D267-T302 WeakPolarHBondContact OD1-CB 3.01Å; D267-T302 VanDerWaalsContact OD1-CG2 3.28Å; D267-T302 WeakPolarHBondContact OD1-CG2 3.35Å; D267-T302 PolarHBondContact OD1-OG1 3.47Å; H299-T302 CarbonylContact O-C 3.47Å; H299-T302 PolarHBondContact O-N 3.29Å; H299-T302 PolarHBondContact O-OG1 3.3Å; L300-T302 VanDerWaalsContact C-N 3.27Å; L300-T302 PolarHBondContact O-N 3.4Å; T302-V304 PolarHBondContact O-N 2.8Å |
| 303 | T | 94 | Very high | 90.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -76.6 | 127.2 | -178.3 | -62.9 | 0 | 0 | 0 | 0 | 110.7 | V264 W265 Q266 L295 H299 L300 W340 | V264-T303 HydrophobicContact CG1-CG2 3.77Å; W265-T303 CarbonylContact O-C 3.54Å; W265-T303 VanDerWaalsContact O-CA 3.23Å; W265-T303 WeakPolarHBondContact O-CA 3.46Å; Q266-T303 HydrophobicContact CG-CG2 4.42Å; Q266-T303 WeakPolarHBondContact CG-OG1 3.39Å; Q266-T303 PolarHBondContact NE2-OG1 2.8Å; L295-T303 HydrophobicContact CD1-CG2 4.39Å; L295-T303 HydrophobicContact CD2-CG2 4.41Å; H299-T303 WeakPolarHBondContact O-CB 3.5Å; H299-T303 PolarHBondContact O-N 3.04Å; H299-T303 PolarHBondContact O-OG1 2.85Å; L300-T303 WeakPolarHBondContact O-CB 3.41Å; L300-T303 PolarHBondContact O-N 3.49Å; L300-T303 VanDerWaalsContact O-N 3.13Å; T303-W340 HydrophobicContact CG2-CH2 3.43Å; T303-W340 VanDerWaalsContact CG2-CH2 3.43Å; T303-W340 HydrophobicContact CG2-CZ2 4.06Å; T303-W340 HydrophobicContact CG2-CZ3 4.28Å | ||
| 304 | V | 93.8 | Very high | 89.2 | Confident | 28 Ų | 28 | 35.5 Ų | 35.5 | 17% | 0.17 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 129.6 | 174.1 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | W265 T302 V326 P363 | W265-V304 HydrophobicContact CB-CB 4.19Å; W265-V304 PolarHBondContact N-O 2.78Å; W265-V304 PolarHBondContact O-N 2.84Å; T302-V304 PolarHBondContact O-N 2.8Å; V304-V326 HydrophobicContact CG1-CG1 3.51Å; V304-P363 HydrophobicContact CG1-CB 4.17Å; V304-P363 HydrophobicContact CG1-CG 3.89Å |
| 305 | L | 96.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 123 | 169 | -49.7 | 175.5 | 0 | 0 | 0 | 108.9 | L225 L234 V236 V264 L307 V326 I327 W340 | L225-L305 HydrophobicContact CD2-CD1 4.15Å; L234-L305 HydrophobicContact CD2-CD1 3.69Å; L234-L305 HydrophobicContact CD2-CD2 3.81Å; L234-L305 HydrophobicContact CD2-CG 4.27Å; V236-L305 HydrophobicContact CG2-CD1 4.21Å; V264-L305 HydrophobicContact CG1-CD2 4.37Å; V264-L305 HydrophobicContact CG2-CD2 3.9Å; L305-L307 HydrophobicContact CB-CD1 3.83Å; L305-V326 WeakPolarHBondContact O-CA 3.15Å; L305-I327 HydrophobicContact CB-CB 4.22Å; L305-I327 HydrophobicContact CD1-CB 4.32Å; L305-I327 HydrophobicContact CD1-CG2 4.29Å; L305-I327 PolarHBondContact N-O 2.7Å; L305-I327 PolarHBondContact O-N 2.92Å; L305-W340 HydrophobicContact CD1-CE3 4.32Å; L305-W340 HydrophobicContact CD1-CZ3 3.95Å; L305-W340 HydrophobicContact CD2-CZ3 4.37Å; L305-W340 HydrophobicContact CG-CE3 4.44Å; L305-W340 HydrophobicContact CG-CZ3 3.86Å |
| 306 | E | 95.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 113.2 | 170 | -178.7 | -162.1 | -166 | 0 | 0 | 108 | V262 K263 W265 L308 R324 P363 | V262-E306 CarbonylContact C-O 3.55Å; V262-E306 WeakPolarHBondContact CA-O 3.25Å; K263-E306 HydrophobicContact CB-CB 4.32Å; K263-E306 VanDerWaalsContact CD-OE2 3.25Å; K263-E306 WeakPolarHBondContact CD-OE2 3.48Å; K263-E306 WeakPolarHBondContact CE-OE2 3.05Å; K263-E306 PolarHBondContact N-O 3Å; K263-E306 IonicContact NZ-OE1 2.86Å; K263-E306 PolarHBondContact NZ-OE1 2.86Å; K263-E306 IonicContact NZ-OE2 3.2Å; K263-E306 PolarHBondContact NZ-OE2 2.87Å; K263-E306 PolarHBondContact O-N 2.96Å; W265-E306 VanDerWaalsContact CZ2-OE2 3.29Å; W265-E306 WeakPolarHBondContact CZ2-OE2 3.13Å; W265-E306 VanDerWaalsContact NE1-CB 3.34Å; W265-E306 PolarHBondContact NE1-OE2 2.85Å; E306-L308 HydrophobicContact CG-CD2 4.29Å; E306-L308 HydrophobicContact CG-CG 4.25Å; E306-R324 HydrophobicContact CG-CG 4.16Å; E306-R324 IonicContact OE1-CZ 3.88Å; E306-R324 IonicContact OE1-NE 2.72Å; E306-R324 IonicContact OE1-NH1 3.47Å; E306-R324 PolarHBondContact OE1-NH1 3.22Å; E306-R324 IonicContact OE1-NH2 2.7Å; E306-P363 HydrophobicContact CB-CG 4.44Å |
| 307 | L | 97 | Very high | 84.8 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.5 | -180 | -52.9 | 79.8 | 0 | 0 | 0 | 107.6 | L223 V236 F238 V260 V262 L305 R324 V325 I327 | L223-L307 HydrophobicContact CD1-CD2 3.62Å; L223-L307 HydrophobicContact CD2-CD2 4.15Å; V236-L307 HydrophobicContact CG1-CD2 4.12Å; F238-L307 HydrophobicContact CE1-CD2 3.49Å; F238-L307 VanDerWaalsContact CE1-CD2 3.49Å; F238-L307 HydrophobicContact CZ-CD2 3.85Å; V260-L307 HydrophobicContact CG1-CB 4.2Å; V262-L307 HydrophobicContact CG2-CG 4.39Å; L305-L307 HydrophobicContact CB-CD1 3.83Å; L307-R324 CarbonylContact O-C 3.56Å; L307-R324 VanDerWaalsContact O-CA 3.25Å; L307-R324 WeakPolarHBondContact O-CA 3.24Å; L307-V325 HydrophobicContact CB-CB 4.22Å; L307-V325 HydrophobicContact CD1-CB 4.4Å; L307-V325 HydrophobicContact CD1-CG1 4.32Å; L307-V325 WeakPolarHBondContact CD1-O 3.38Å; L307-V325 PolarHBondContact N-O 2.89Å; L307-V325 PolarHBondContact O-N 2.87Å; L307-I327 HydrophobicContact CD1-CD1 4.15Å; L307-I327 HydrophobicContact CD1-CG1 4.17Å |
| 308 | L | 93.6 | Very high | 83.6 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 117.1 | -176.3 | -62.9 | 166.9 | 0 | 0 | 0 | 108.8 | V260 K261 E306 F310 L321 R324 | V260-L308 CarbonylContact C-O 3.55Å; V260-L308 WeakPolarHBondContact CA-O 2.87Å; K261-L308 HydrophobicContact CB-CB 4.33Å; K261-L308 PolarHBondContact N-O 2.79Å; K261-L308 PolarHBondContact O-N 3.07Å; E306-L308 HydrophobicContact CG-CD2 4.29Å; E306-L308 HydrophobicContact CG-CG 4.25Å; L308-F310 HydrophobicContact CB-CD2 4.07Å; L308-F310 HydrophobicContact CB-CE2 3.47Å; L308-F310 VanDerWaalsContact CB-CE2 3.47Å; L308-F310 HydrophobicContact CB-CZ 4.21Å; L308-F310 HydrophobicContact CD1-CE2 4.08Å; L308-F310 HydrophobicContact CD1-CZ 4.32Å; L308-F310 HydrophobicContact CG-CE2 4.39Å; L308-L321 HydrophobicContact CB-CD1 3.88Å; L308-L321 HydrophobicContact CD2-CD1 3.83Å; L308-L321 HydrophobicContact CD2-CD2 4.32Å; L308-L321 HydrophobicContact CG-CD1 4.43Å; L308-R324 HydrophobicContact CD2-CB 4.06Å; L308-R324 HydrophobicContact CD2-CG 3.84Å |
| 309 | V | 92.5 | Very high | 83 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 120.5 | 177.9 | -172.2 | 0 | 0 | 0 | 0 | 108.3 | L221 I244 V258 V260 L322 G323 L356 | L221-V309 HydrophobicContact CD2-CG2 4Å; I244-V309 HydrophobicContact CD1-CG1 4Å; V258-V309 HydrophobicContact CG1-CG1 3.71Å; V260-V309 HydrophobicContact CG1-CG2 4.44Å; V260-V309 HydrophobicContact CG2-CG2 4.18Å; V309-L322 HydrophobicContact CB-CB 4.32Å; V309-L322 HydrophobicContact CG1-CB 4.29Å; V309-L322 HydrophobicContact CG1-CD1 4.03Å; V309-L322 WeakPolarHBondContact O-CB 3.37Å; V309-L322 PolarHBondContact O-N 2.82Å; V309-G323 PolarHBondContact N-O 3.48Å; V309-G323 PolarHBondContact O-N 3.46Å; V309-L356 HydrophobicContact CB-CD1 3.96Å; V309-L356 HydrophobicContact CB-CD2 4.14Å; V309-L356 HydrophobicContact CG2-CD1 3.47Å; V309-L356 VanDerWaalsContact CG2-CD1 3.47Å; V309-L356 HydrophobicContact CG2-CD2 4.27Å |
| 310 | F | 90.6 | Very high | 82.6 | Confident | 29 Ų | 29 | 53.2 Ų | 53.2 | 13% | 0.127 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 150.7 | -178.7 | -74.8 | -85.4 | 0 | 0 | 0 | 111.2 | V258 W259 K261 L308 S319 N320 L321 | V258-F310 VanDerWaalsContact CA-O 3.27Å; V258-F310 WeakPolarHBondContact CA-O 3.28Å; V258-F310 WeakPolarHBondContact CG1-O 2.93Å; W259-F310 HydrophobicContact CD2-CB 3.92Å; W259-F310 VanDerWaalsContact CE2-CB 3.41Å; W259-F310 HydrophobicContact CE3-CB 4.38Å; W259-F310 HydrophobicContact CG-CB 4.47Å; W259-F310 HydrophobicContact CH2-CB 3.98Å; W259-F310 HydrophobicContact CZ2-CB 3.46Å; W259-F310 VanDerWaalsContact CZ2-CB 3.46Å; W259-F310 HydrophobicContact CZ2-CG 4.04Å; W259-F310 HydrophobicContact CZ3-CB 4.4Å; W259-F310 PolarHBondContact N-O 2.81Å; W259-F310 AromaticContact NE1-CD2 3.86Å; W259-F310 AromaticContact NE1-CG 3.99Å; W259-F310 PolarHBondContact O-N 3.42Å; K261-F310 HydrophobicContact CB-CD2 4.19Å; K261-F310 HydrophobicContact CB-CE2 3.97Å; K261-F310 HydrophobicContact CD-CE2 4.2Å; L308-F310 HydrophobicContact CB-CD2 4.07Å; L308-F310 HydrophobicContact CB-CE2 3.47Å; L308-F310 VanDerWaalsContact CB-CE2 3.47Å; L308-F310 HydrophobicContact CB-CZ 4.21Å; L308-F310 HydrophobicContact CD1-CE2 4.08Å; L308-F310 HydrophobicContact CD1-CZ 4.32Å; L308-F310 HydrophobicContact CG-CE2 4.39Å; F310-S319 WeakPolarHBondContact CD1-OG 3.32Å; F310-N320 CarbonylContact C-O 3.56Å; F310-N320 VanDerWaalsContact CA-O 3.27Å; F310-N320 WeakPolarHBondContact CA-O 3.46Å; F310-N320 WeakPolarHBondContact CD1-O 3.43Å; F310-L321 HydrophobicContact CD1-CB 4.3Å; F310-L321 HydrophobicContact CD1-CD1 4.33Å; F310-L321 HydrophobicContact CD2-CD1 4.49Å; F310-L321 HydrophobicContact CE1-CB 4Å; F310-L321 HydrophobicContact CE1-CD1 3.99Å; F310-L321 HydrophobicContact CE2-CD1 4.18Å; F310-L321 HydrophobicContact CZ-CD1 3.91Å |
| 311 | E | 86.5 | Confident | 82.3 | Confident | 3 Ų | 3 | 54.7 Ų | 54.7 | 1% | 0.014 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 145.1 | 171.2 | 164.2 | -173.6 | -140.1 | 0 | 0 | 109.2 | S247 V250 E257 S319 N320 L322 | S247-E311 WeakPolarHBondContact CA-OE1 3.35Å; S247-E311 VanDerWaalsContact CB-OE1 3.22Å; S247-E311 WeakPolarHBondContact CB-OE1 3.26Å; S247-E311 PolarHBondContact N-OE1 2.98Å; S247-E311 PolarHBondContact N-OE2 2.87Å; S247-E311 VanDerWaalsContact OG-CD 3.27Å; S247-E311 PolarHBondContact OG-OE1 2.92Å; V250-E311 WeakPolarHBondContact CB-OE1 3.15Å; V250-E311 HydrophobicContact CG2-CG 3.61Å; V250-E311 WeakPolarHBondContact CG2-OE1 3.41Å; E257-E311 WeakPolarHBondContact O-CA 3.38Å; E311-S319 CarbonylContact O-C 3.59Å; E311-S319 WeakPolarHBondContact O-CA 3.37Å; E311-N320 HydrophobicContact CB-CB 4.36Å; E311-N320 PolarHBondContact N-O 2.97Å; E311-N320 PolarHBondContact O-N 3.17Å; E311-N320 PolarHBondContact OE2-ND2 2.9Å; E311-L322 HydrophobicContact CB-CD1 3.98Å; E311-L322 HydrophobicContact CB-CD2 3.67Å; E311-L322 HydrophobicContact CB-CG 3.77Å; E311-L322 HydrophobicContact CG-CD2 4.46Å; E311-L322 VanDerWaalsContact OE2-CD2 3.29Å; E311-L322 WeakPolarHBondContact OE2-CD2 3.24Å |
| 312 | G | 80.6 | Confident | 82.2 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 9% | 0.093 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 143.8 | -155.5 | 167 | 0 | 0 | 0 | 0 | 0 | 111.9 | S256 E257 | S256-G312 WeakPolarHBondContact OG-CA 3.39Å; S256-G312 PolarHBondContact OG-N 2.82Å; E257-G312 PolarHBondContact N-O 3.17Å; E257-G312 PolarHBondContact O-N 2.57Å |
| 313 | H | 77.1 | Confident | 82 | Confident | 14 Ų | 14 | 44.9 Ų | 44.9 | 7% | 0.065 | 23% | 0.23 | C | C | . | . | trans | -105.7 | 124.5 | 174.7 | -54.9 | -80.9 | 0 | 0 | 0 | 109.1 | E254 R255 W315 R316 | E254-H313 PolarHBondContact O-CE1 2.84Å; R255-H313 PolarHBondContact O-CE1 3.35Å; R255-H313 PolarHBondContact O-ND1 3.25Å; H313-W315 HydrophobicContact CB-CD2 4.46Å; H313-W315 HydrophobicContact CB-CG 4.48Å; H313-W315 PolarHBondContact O-N 2.96Å; H313-R316 HydrophobicContact CB-CB 4.16Å; H313-R316 HydrophobicContact CB-CG 4.05Å; H313-R316 PolarHBondContact CD2-NH1 3.48Å; H313-R316 PolarHBondContact NE2-NH1 2.82Å; H313-R316 PolarHBondContact O-N 2.82Å | ||
| 314 | Q | 64.7 | Low | 81.9 | Confident | 75 Ų | 75 | 46.2 Ų | 46.2 | 35% | 0.35 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -25.5 | -177.9 | -78.4 | -147.7 | -39.5 | 0 | 0 | 114.9 | W259 K275 P278 | W259-Q314 HydrophobicContact CE3-CG 4.24Å; W259-Q314 HydrophobicContact CZ3-CG 4.3Å; K275-Q314 VanDerWaalsContact NZ-NE2 3.14Å; P278-Q314 HydrophobicContact CB-CG 4.27Å; P278-Q314 HydrophobicContact CG-CG 3.38Å; P278-Q314 VanDerWaalsContact CG-OE1 3.23Å |
| 315 | W | 67.5 | Low | 81.9 | Confident | 174 Ų | 174 | 45 Ų | 45 | 66% | 0.659 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -10.6 | -178.7 | 58.7 | -91.8 | 0 | 0 | 0 | 113.7 | H313 | H313-W315 HydrophobicContact CB-CD2 4.46Å; H313-W315 HydrophobicContact CB-CG 4.48Å; H313-W315 PolarHBondContact O-N 2.96Å |
| 316 | R | 63.1 | Low | 81.7 | Confident | 133 Ų | 133 | 45.5 Ų | 45.5 | 50% | 0.502 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -92.8 | 142 | 173.6 | -69.2 | -171.4 | 174.2 | 145.1 | -7.5 | 109.8 | H313 A318 | H313-R316 HydrophobicContact CB-CB 4.16Å; H313-R316 HydrophobicContact CB-CG 4.05Å; H313-R316 PolarHBondContact CD2-NH1 3.48Å; H313-R316 PolarHBondContact NE2-NH1 2.82Å; H313-R316 PolarHBondContact O-N 2.82Å; R316-A318 PolarHBondContact O-N 3.02Å |
| 317 | L | 55.9 | Low | 81.6 | Confident | 190 Ų | 190 | 45.5 Ų | 45.5 | 100% | 0.995 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -61.7 | -23.6 | 179 | -76.4 | 143.4 | 0 | 0 | 0 | 113.1 | ||
| 318 | A | 57.1 | Low | 81.4 | Confident | 80 Ų | 80 | 45.5 Ų | 45.5 | 66% | 0.661 | 23% | 0.231 | S | C | * | . | trans | -95 | 107.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | R316 | R316-A318 PolarHBondContact O-N 3.02Š| ||
| 319 | S | 74.9 | Confident | 81.1 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 36% | 0.364 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 133.1 | 164.6 | 61.9 | 0 | 0 | 0 | 0 | 109.1 | F310 E311 | F310-S319 WeakPolarHBondContact CD1-OG 3.32Å; E311-S319 CarbonylContact O-C 3.59Å; E311-S319 WeakPolarHBondContact O-CA 3.37Å |
| 320 | N | 81.9 | Confident | 80.7 | Confident | 88 Ų | 88 | 55.3 Ų | 55.3 | 47% | 0.471 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 132.5 | 175.4 | -174.4 | 29.4 | 0 | 0 | 0 | 110.1 | F310 E311 L322 | F310-N320 CarbonylContact C-O 3.56Å; F310-N320 VanDerWaalsContact CA-O 3.27Å; F310-N320 WeakPolarHBondContact CA-O 3.46Å; F310-N320 WeakPolarHBondContact CD1-O 3.43Å; E311-N320 HydrophobicContact CB-CB 4.36Å; E311-N320 PolarHBondContact N-O 2.97Å; E311-N320 PolarHBondContact O-N 3.17Å; E311-N320 PolarHBondContact OE2-ND2 2.9Å; N320-L322 PolarHBondContact O-N 2.85Å |
| 321 | L | 86.1 | Confident | 80.3 | Confident | 56 Ų | 56 | 54 Ų | 54 | 29% | 0.293 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 107.9 | 173 | 176.6 | 67.4 | 0 | 0 | 0 | 108.2 | L308 F310 G323 | L308-L321 HydrophobicContact CB-CD1 3.88Å; L308-L321 HydrophobicContact CD2-CD1 3.83Å; L308-L321 HydrophobicContact CD2-CD2 4.32Å; L308-L321 HydrophobicContact CG-CD1 4.43Å; F310-L321 HydrophobicContact CD1-CB 4.3Å; F310-L321 HydrophobicContact CD1-CD1 4.33Å; F310-L321 HydrophobicContact CD2-CD1 4.49Å; F310-L321 HydrophobicContact CE1-CB 4Å; F310-L321 HydrophobicContact CE1-CD1 3.99Å; F310-L321 HydrophobicContact CE2-CD1 4.18Å; F310-L321 HydrophobicContact CZ-CD1 3.91Å; L321-G323 VanDerWaalsContact C-N 3.31Å; L321-G323 WeakPolarHBondContact CD1-O 3.43Å |
| 322 | L | 85.8 | Confident | 79.7 | Confident | 3 Ų | 3 | 57.7 Ų | 57.7 | 2% | 0.016 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -35.4 | 174.3 | -60.4 | -173.6 | 0 | 0 | 0 | 111.1 | N218 I244 A245 V246 V258 V309 E311 N320 L356 | N218-L322 WeakPolarHBondContact CB-O 3.43Å; N218-L322 PolarHBondContact ND2-O 3.48Å; I244-L322 HydrophobicContact CD1-CB 4.37Å; I244-L322 HydrophobicContact CD1-CD1 3.46Å; I244-L322 VanDerWaalsContact CD1-CD1 3.46Å; I244-L322 HydrophobicContact CG1-CD1 3.94Å; A245-L322 WeakPolarHBondContact O-CD2 3.27Å; V246-L322 HydrophobicContact CG1-CD1 3.85Å; V246-L322 HydrophobicContact CG1-CD2 4.38Å; V258-L322 HydrophobicContact CG1-CD1 4.37Å; V258-L322 HydrophobicContact CG2-CD1 4.5Å; V309-L322 HydrophobicContact CB-CB 4.32Å; V309-L322 HydrophobicContact CG1-CB 4.29Å; V309-L322 HydrophobicContact CG1-CD1 4.03Å; V309-L322 WeakPolarHBondContact O-CB 3.37Å; V309-L322 PolarHBondContact O-N 2.82Å; E311-L322 HydrophobicContact CB-CD1 3.98Å; E311-L322 HydrophobicContact CB-CD2 3.67Å; E311-L322 HydrophobicContact CB-CG 3.77Å; E311-L322 HydrophobicContact CG-CD2 4.46Å; E311-L322 VanDerWaalsContact OE2-CD2 3.29Å; E311-L322 WeakPolarHBondContact OE2-CD2 3.24Å; N320-L322 PolarHBondContact O-N 2.85Å; L322-L356 HydrophobicContact CB-CD2 3.98Å |
| 323 | G | 88.2 | Confident | 79.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.3 | -166.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V309 L321 | V309-G323 PolarHBondContact N-O 3.48Å; V309-G323 PolarHBondContact O-N 3.46Å; L321-G323 VanDerWaalsContact C-N 3.31Å; L321-G323 WeakPolarHBondContact CD1-O 3.43Å |
| 324 | R | 91.1 | Very high | 79.5 | Confident | 28 Ų | 28 | 61.2 Ų | 61.2 | 11% | 0.106 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146 | -168.6 | -173.2 | 176.1 | -54.5 | -173.2 | 2.4 | 111.6 | E306 L307 L308 V326 M357 L360 Q361 T362 | E306-R324 HydrophobicContact CG-CG 4.16Å; E306-R324 IonicContact OE1-CZ 3.88Å; E306-R324 IonicContact OE1-NE 2.72Å; E306-R324 IonicContact OE1-NH1 3.47Å; E306-R324 PolarHBondContact OE1-NH1 3.22Å; E306-R324 IonicContact OE1-NH2 2.7Å; L307-R324 CarbonylContact O-C 3.56Å; L307-R324 VanDerWaalsContact O-CA 3.25Å; L307-R324 WeakPolarHBondContact O-CA 3.24Å; L308-R324 HydrophobicContact CD2-CB 4.06Å; L308-R324 HydrophobicContact CD2-CG 3.84Å; R324-V326 HydrophobicContact CG-CG2 4.02Å; R324-M357 WeakPolarHBondContact CB-O 3.45Å; R324-M357 PolarHBondContact N-O 3.19Å; R324-M357 PolarHBondContact O-N 3.45Å; R324-L360 HydrophobicContact CB-CB 4.07Å; R324-L360 HydrophobicContact CB-CD1 4.46Å; R324-L360 WeakPolarHBondContact CD-O 3.4Å; R324-L360 HydrophobicContact CG-CB 4.15Å; R324-L360 PolarHBondContact NE-O 2.76Å; R324-L360 PolarHBondContact NH1-O 3.28Å; R324-L360 WeakPolarHBondContact O-CD1 3.28Å; R324-Q361 PolarHBondContact NH1-O 3.05Å; R324-T362 PolarHBondContact NH1-OG1 3.11Å |
| 325 | V | 93.7 | Very high | 80.5 | Confident | 3 Ų | 3 | 58.9 Ų | 58.9 | 2% | 0.018 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 136.2 | 165 | 176.1 | 0 | 0 | 0 | 0 | 107.3 | L221 L223 L307 I327 H354 L356 | L221-V325 HydrophobicContact CD2-CG2 4.46Å; L223-V325 HydrophobicContact CD1-CG1 4.35Å; L307-V325 HydrophobicContact CB-CB 4.22Å; L307-V325 HydrophobicContact CD1-CB 4.4Å; L307-V325 HydrophobicContact CD1-CG1 4.32Å; L307-V325 WeakPolarHBondContact CD1-O 3.38Å; L307-V325 PolarHBondContact N-O 2.89Å; L307-V325 PolarHBondContact O-N 2.87Å; V325-I327 HydrophobicContact CG1-CD1 4.24Å; V325-I327 HydrophobicContact CG1-CG1 3.96Å; V325-H354 HydrophobicContact CB-CB 4.44Å; V325-H354 HydrophobicContact CG1-CB 3.6Å; V325-H354 HydrophobicContact CG2-CB 3.93Å; V325-L356 HydrophobicContact CG2-CD1 4.17Å |
| 326 | V | 92.2 | Very high | 81.4 | Confident | 11 Ų | 11 | 50.6 Ų | 50.6 | 7% | 0.067 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126 | 176.7 | 179 | 0 | 0 | 0 | 0 | 108.5 | V304 L305 R324 A331 P332 L360 P363 | V304-V326 HydrophobicContact CG1-CG1 3.51Å; L305-V326 WeakPolarHBondContact O-CA 3.15Å; R324-V326 HydrophobicContact CG-CG2 4.02Å; V326-A331 HydrophobicContact CG1-CB 4.43Å; V326-A331 WeakPolarHBondContact O-CB 3.4Å; V326-P332 HydrophobicContact CB-CG 4.33Å; V326-L360 HydrophobicContact CG2-CD1 4.18Å; V326-P363 HydrophobicContact CG1-CG 4.49Å |
| 327 | I | 94.2 | Very high | 82.5 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 133.6 | -179.2 | -59.6 | -179.1 | 0 | 0 | 0 | 108.2 | L223 L225 L305 L307 V325 G336 W340 | L223-I327 HydrophobicContact CD1-CD1 4.04Å; L225-I327 HydrophobicContact CD1-CD1 4.02Å; L225-I327 HydrophobicContact CD1-CG2 3.74Å; L305-I327 HydrophobicContact CB-CB 4.22Å; L305-I327 HydrophobicContact CD1-CB 4.32Å; L305-I327 HydrophobicContact CD1-CG2 4.29Å; L305-I327 PolarHBondContact N-O 2.7Å; L305-I327 PolarHBondContact O-N 2.92Å; L307-I327 HydrophobicContact CD1-CD1 4.15Å; L307-I327 HydrophobicContact CD1-CG1 4.17Å; V325-I327 HydrophobicContact CG1-CD1 4.24Å; V325-I327 HydrophobicContact CG1-CG1 3.96Å; I327-G336 WeakPolarHBondContact CG2-O 3.44Å; I327-W340 HydrophobicContact CG2-CB 3.9Å; I327-W340 HydrophobicContact CG2-CE3 3.96Å |
| 328 | G | 92.4 | Very high | 84 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.7 | 168.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | N330 A331 | G328-N330 PolarHBondContact O-N 2.86Å; G328-A331 WeakPolarHBondContact O-CB 3.45Å; G328-A331 PolarHBondContact O-N 3.48Å; G328-A331 VanDerWaalsContact O-N 3.09Å |
| 329 | Q | 87.5 | Confident | 85.8 | Confident | 74 Ų | 74 | 40.3 Ų | 40.3 | 35% | 0.346 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -37.9 | -178 | -170.7 | 172.3 | 18 | 0 | 0 | 112.6 | E301 W340 | E301-Q329 PolarHBondContact O-OE1 3.03Å; Q329-W340 VanDerWaalsContact N-CD1 3.3Å |
| 330 | N | 83.3 | Confident | 86.7 | Confident | 140 Ų | 140 | 38 Ų | 38 | 75% | 0.749 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | 33.3 | 179.5 | -59.2 | -43.2 | 0 | 0 | 0 | 112.3 | G328 | G328-N330 PolarHBondContact O-N 2.86Š|
| 331 | A | 82.2 | Confident | 87.1 | Confident | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | trans | -60.5 | 143.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V326 G328 I333 Q337 | V326-A331 HydrophobicContact CG1-CB 4.43Å; V326-A331 WeakPolarHBondContact O-CB 3.4Å; G328-A331 WeakPolarHBondContact O-CB 3.45Å; G328-A331 PolarHBondContact O-N 3.48Å; G328-A331 VanDerWaalsContact O-N 3.09Å; A331-I333 PolarHBondContact O-N 2.77Å; A331-Q337 HydrophobicContact CB-CG 3.94Å; A331-Q337 WeakPolarHBondContact O-CG 3.41Å; A331-Q337 PolarHBondContact O-NE2 3.37Å | ||
| 332 | P | 73.7 | Confident | 87.3 | Confident | 79 Ų | 79 | 34 Ų | 34 | 51% | 0.513 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -68.5 | -15.3 | -176.8 | 24.6 | -32.8 | 0 | 0 | 0 | 114.4 | V326 L360 | V326-P332 HydrophobicContact CB-CG 4.33Å; P332-L360 HydrophobicContact CB-CD2 4.01Å; P332-L360 HydrophobicContact CG-CD2 3.31Å |
| 333 | I | 75.8 | Confident | 87.7 | Confident | 34 Ų | 34 | 33.9 Ų | 33.9 | 17% | 0.174 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -119.7 | 135.1 | -179.4 | -58.4 | 179.1 | 0 | 0 | 0 | 108.6 | A331 S335 G336 Q337 P355 M357 L360 | A331-I333 PolarHBondContact O-N 2.77Å; I333-S335 VanDerWaalsContact C-N 3.3Å; I333-S335 PolarHBondContact O-N 2.87Å; I333-G336 PolarHBondContact O-N 2.92Å; I333-Q337 PolarHBondContact O-N 2.91Å; I333-P355 HydrophobicContact CD1-CG 3.82Å; I333-P355 HydrophobicContact CG2-CG 4Å; I333-M357 HydrophobicContact CD1-CE 3.92Å; I333-M357 HydrophobicContact CD1-CG 3.69Å; I333-L360 HydrophobicContact CD1-CD1 4.11Å; I333-L360 HydrophobicContact CD1-CD2 4.49Å |
| 334 | A | 77.7 | Confident | 87.8 | Confident | 63 Ų | 63 | 34.9 Ų | 34.9 | 52% | 0.521 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.3 | -39.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | G336 Q337 L338 | A334-G336 PolarHBondContact O-N 2.78Å; A334-Q337 PolarHBondContact O-N 2.77Å; A334-Q337 VanDerWaalsContact O-N 3.12Å; A334-L338 WeakPolarHBondContact O-CG 3.36Å; A334-L338 PolarHBondContact O-N 2.81Å |
| 335 | S | 86.3 | Confident | 87.5 | Confident | 27 Ų | 27 | 39 Ų | 39 | 19% | 0.189 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -56.7 | -39.9 | 176.5 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | I333 H339 H354 | I333-S335 VanDerWaalsContact C-N 3.3Å; I333-S335 PolarHBondContact O-N 2.87Å; S335-H339 VanDerWaalsContact O-CB 3.25Å; S335-H339 WeakPolarHBondContact O-CB 3.24Å; S335-H339 PolarHBondContact O-N 3.24Å; S335-H354 PolarHBondContact O-CE1 2.83Å; S335-H354 VanDerWaalsContact O-CE1 3.32Å; S335-H354 PolarHBondContact OG-ND1 3.14Å |
| 336 | G | 87.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.6 | -34.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I327 I333 A334 W340 | I327-G336 WeakPolarHBondContact CG2-O 3.44Å; I333-G336 PolarHBondContact O-N 2.92Å; A334-G336 PolarHBondContact O-N 2.78Å; G336-W340 WeakPolarHBondContact O-CB 3.49Å; G336-W340 PolarHBondContact O-N 3.09Å |
| 337 | Q | 85.2 | Confident | 86.6 | Confident | 76 Ų | 76 | 46.1 Ų | 46.1 | 36% | 0.355 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -71.8 | -48.7 | 175.4 | -60 | 178.5 | 12.9 | 0 | 0 | 111.1 | A331 I333 A334 H339 W340 N341 | A331-Q337 HydrophobicContact CB-CG 3.94Å; A331-Q337 WeakPolarHBondContact O-CG 3.41Å; A331-Q337 PolarHBondContact O-NE2 3.37Å; I333-Q337 PolarHBondContact O-N 2.91Å; A334-Q337 PolarHBondContact O-N 2.77Å; A334-Q337 VanDerWaalsContact O-N 3.12Å; Q337-H339 VanDerWaalsContact C-N 3.32Å; Q337-H339 PolarHBondContact O-N 3.45Å; Q337-W340 PolarHBondContact O-N 3.33Å; Q337-N341 WeakPolarHBondContact O-CB 3.3Å; Q337-N341 VanDerWaalsContact O-CG 3.28Å; Q337-N341 PolarHBondContact O-N 3.4Å; Q337-N341 PolarHBondContact O-ND2 3.31Å |
| 338 | L | 88.5 | Confident | 86.3 | Confident | 110 Ų | 110 | 51.6 Ų | 51.6 | 58% | 0.576 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -60 | -43.4 | 179.9 | -69.9 | 173.7 | 0 | 0 | 0 | 111.5 | A334 N341 S342 | A334-L338 WeakPolarHBondContact O-CG 3.36Å; A334-L338 PolarHBondContact O-N 2.81Å; L338-N341 PolarHBondContact O-N 2.86Å; L338-S342 WeakPolarHBondContact O-CB 3.42Å; L338-S342 PolarHBondContact O-N 2.85Å |
| 339 | H | 93.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.9 | -40.7 | 179.4 | -159 | -176.9 | 0 | 0 | 0 | 111.9 | L223 L225 S335 Q337 A343 T350 M352 H354 | L223-H339 PolarHBondContact O-CE1 2.85Å; L223-H339 VanDerWaalsContact O-CE1 3.24Å; L225-H339 HydrophobicContact CD1-CB 4.26Å; L225-H339 VanDerWaalsContact CG-CE1 3.47Å; L225-H339 WeakPolarHBondContact CG-CE1 3.49Å; L225-H339 PolarHBondContact N-NE2 2.79Å; S335-H339 VanDerWaalsContact O-CB 3.25Å; S335-H339 WeakPolarHBondContact O-CB 3.24Å; S335-H339 PolarHBondContact O-N 3.24Å; Q337-H339 VanDerWaalsContact C-N 3.32Å; Q337-H339 PolarHBondContact O-N 3.45Å; H339-A343 WeakPolarHBondContact O-CB 3.43Å; H339-A343 PolarHBondContact O-N 2.77Å; H339-A343 VanDerWaalsContact O-N 3.12Å; H339-T350 PolarHBondContact CD2-OG1 2.82Å; H339-T350 VanDerWaalsContact CD2-OG1 3.24Å; H339-T350 PolarHBondContact NE2-O 2.87Å; H339-M352 HydrophobicContact CB-CE 4.48Å; H339-M352 HydrophobicContact CB-SD 3.57Å; H339-M352 VanDerWaalsContact CB-SD 3.57Å; H339-H354 AromaticContact CE1-NE2 3.83Å; H339-H354 AromaticContact CG-NE2 3.7Å; H339-H354 AromaticContact ND1-CD2 3.97Å; H339-H354 AromaticContact ND1-CE1 3.58Å; H339-H354 AromaticContact ND1-NE2 2.93Å; H339-H354 PolarHBondContact ND1-NE2 3.24Å |
| 340 | W | 93.3 | Very high | 86.5 | Confident | 5 Ų | 5 | 54.4 Ų | 54.4 | 2% | 0.019 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.7 | -49.8 | 174.6 | -175 | -101.4 | 0 | 0 | 0 | 111.5 | L234 L295 L300 T303 L305 I327 Q329 G336 Q337 S342 A343 I344 | L234-W340 HydrophobicContact CD2-CZ3 4.21Å; L295-W340 HydrophobicContact CD1-CH2 4.32Å; L300-W340 WeakPolarHBondContact O-CZ2 3.33Å; T303-W340 HydrophobicContact CG2-CH2 3.43Å; T303-W340 VanDerWaalsContact CG2-CH2 3.43Å; T303-W340 HydrophobicContact CG2-CZ2 4.06Å; T303-W340 HydrophobicContact CG2-CZ3 4.28Å; L305-W340 HydrophobicContact CD1-CE3 4.32Å; L305-W340 HydrophobicContact CD1-CZ3 3.95Å; L305-W340 HydrophobicContact CD2-CZ3 4.37Å; L305-W340 HydrophobicContact CG-CE3 4.44Å; L305-W340 HydrophobicContact CG-CZ3 3.86Å; I327-W340 HydrophobicContact CG2-CB 3.9Å; I327-W340 HydrophobicContact CG2-CE3 3.96Å; Q329-W340 VanDerWaalsContact N-CD1 3.3Å; G336-W340 WeakPolarHBondContact O-CB 3.49Å; G336-W340 PolarHBondContact O-N 3.09Å; Q337-W340 PolarHBondContact O-N 3.33Å; W340-S342 PolarHBondContact O-N 3.02Å; W340-A343 PolarHBondContact O-N 2.81Å; W340-I344 HydrophobicContact CD2-CG1 3.61Å; W340-I344 VanDerWaalsContact CE2-CG1 3.49Å; W340-I344 HydrophobicContact CE3-CD1 4.43Å; W340-I344 HydrophobicContact CE3-CG1 3.88Å; W340-I344 HydrophobicContact CG-CG1 4.16Å; W340-I344 HydrophobicContact CH2-CD1 4.05Å; W340-I344 HydrophobicContact CH2-CG1 3.91Å; W340-I344 HydrophobicContact CZ2-CD1 4.24Å; W340-I344 HydrophobicContact CZ2-CG1 3.66Å; W340-I344 HydrophobicContact CZ3-CD1 4.16Å; W340-I344 HydrophobicContact CZ3-CG1 4.02Å; W340-I344 WeakPolarHBondContact O-CB 3.44Å; W340-I344 WeakPolarHBondContact O-CG1 3.27Å; W340-I344 PolarHBondContact O-N 2.85Å |
| 341 | N | 90.5 | Very high | 87.1 | Confident | 44 Ų | 44 | 51.3 Ų | 51.3 | 24% | 0.235 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | -178.6 | -70 | -14.8 | 0 | 0 | 0 | 111.5 | Q337 L338 A343 L345 H346 | Q337-N341 WeakPolarHBondContact O-CB 3.3Å; Q337-N341 VanDerWaalsContact O-CG 3.28Å; Q337-N341 PolarHBondContact O-N 3.4Å; Q337-N341 PolarHBondContact O-ND2 3.31Å; L338-N341 PolarHBondContact O-N 2.86Å; N341-A343 PolarHBondContact O-N 2.89Å; N341-L345 HydrophobicContact CB-CD1 3.93Å; N341-L345 WeakPolarHBondContact O-CA 3.38Å; N341-L345 VanDerWaalsContact O-CB 3.23Å; N341-L345 WeakPolarHBondContact O-CB 3.42Å; N341-L345 PolarHBondContact O-N 3.44Å; N341-H346 PolarHBondContact O-N 2.85Å |
| 342 | S | 91.6 | Very high | 87.6 | Confident | 16 Ų | 16 | 53.7 Ų | 53.7 | 11% | 0.112 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.3 | -47.3 | 176 | -173.9 | 0 | 0 | 0 | 0 | 112.6 | L338 W340 H346 G347 H348 T350 | L338-S342 WeakPolarHBondContact O-CB 3.42Å; L338-S342 PolarHBondContact O-N 2.85Å; W340-S342 PolarHBondContact O-N 3.02Å; S342-H346 WeakPolarHBondContact O-CB 3.39Å; S342-G347 PolarHBondContact O-N 3.42Å; S342-H348 PolarHBondContact O-N 2.87Å; S342-H348 VanDerWaalsContact O-N 3.15Å; S342-T350 WeakPolarHBondContact OG-CG2 3.44Å; S342-T350 PolarHBondContact OG-OG1 2.93Å |
| 343 | A | 93 | Very high | 88.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -75.1 | -44 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L225 Y227 H339 W340 N341 G347 H348 | L225-A343 HydrophobicContact CB-CB 3.61Å; Y227-A343 WeakPolarHBondContact CB-O 3.49Å; H339-A343 WeakPolarHBondContact O-CB 3.43Å; H339-A343 PolarHBondContact O-N 2.77Å; H339-A343 VanDerWaalsContact O-N 3.12Å; W340-A343 PolarHBondContact O-N 2.81Å; N341-A343 PolarHBondContact O-N 2.89Å; A343-G347 WeakPolarHBondContact O-CA 3.48Å; A343-G347 PolarHBondContact O-N 2.86Å; A343-H348 WeakPolarHBondContact CA-O 3.46Å |
| 344 | I | 91.7 | Very high | 89.3 | Confident | 21 Ų | 21 | 52 Ų | 52 | 11% | 0.108 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -87.9 | -46 | -172 | -56.9 | -51.7 | 0 | 0 | 0 | 112.2 | Y227 L234 L300 W340 | Y227-I344 HydrophobicContact CD1-CD1 4.08Å; Y227-I344 HydrophobicContact CD2-CD1 4.1Å; Y227-I344 HydrophobicContact CG-CD1 3.67Å; L234-I344 HydrophobicContact CD1-CD1 4.08Å; L300-I344 HydrophobicContact CD1-CG2 4.22Å; L300-I344 HydrophobicContact CD2-CG2 4.33Å; W340-I344 HydrophobicContact CD2-CG1 3.61Å; W340-I344 VanDerWaalsContact CE2-CG1 3.49Å; W340-I344 HydrophobicContact CE3-CD1 4.43Å; W340-I344 HydrophobicContact CE3-CG1 3.88Å; W340-I344 HydrophobicContact CG-CG1 4.16Å; W340-I344 HydrophobicContact CH2-CD1 4.05Å; W340-I344 HydrophobicContact CH2-CG1 3.91Å; W340-I344 HydrophobicContact CZ2-CD1 4.24Å; W340-I344 HydrophobicContact CZ2-CG1 3.66Å; W340-I344 HydrophobicContact CZ3-CD1 4.16Å; W340-I344 HydrophobicContact CZ3-CG1 4.02Å; W340-I344 WeakPolarHBondContact O-CB 3.44Å; W340-I344 WeakPolarHBondContact O-CG1 3.27Å; W340-I344 PolarHBondContact O-N 2.85Å |
| 345 | L | 83 | Confident | 89.7 | Confident | 113 Ų | 113 | 50 Ų | 50 | 59% | 0.592 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -43.8 | -175.5 | -58 | 175.6 | 0 | 0 | 0 | 111.5 | N341 | N341-L345 HydrophobicContact CB-CD1 3.93Å; N341-L345 WeakPolarHBondContact O-CA 3.38Å; N341-L345 VanDerWaalsContact O-CB 3.23Å; N341-L345 WeakPolarHBondContact O-CB 3.42Å; N341-L345 PolarHBondContact O-N 3.44Å |
| 346 | H | 83 | Confident | 89.8 | Confident | 121 Ų | 121 | 48.9 Ų | 48.9 | 56% | 0.56 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -94.1 | -10.6 | -176.8 | -48.3 | 133.8 | 0 | 0 | 0 | 113.4 | N341 S342 H348 | N341-H346 PolarHBondContact O-N 2.85Å; S342-H346 WeakPolarHBondContact O-CB 3.39Å; H346-H348 WeakPolarHBondContact CB-CD2 3.1Å; H346-H348 PolarHBondContact O-N 3.18Å |
| 347 | G | 84.6 | Confident | 89.6 | Confident | 44 Ų | 44 | 50 Ų | 50 | 45% | 0.454 | 26% | 0.261 | S | S | . | . | trans | 65.8 | 14.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S342 A343 | S342-G347 PolarHBondContact O-N 3.42Å; A343-G347 WeakPolarHBondContact O-CA 3.48Å; A343-G347 PolarHBondContact O-N 2.86Å | ||
| 348 | H | 87.3 | Confident | 89.1 | Confident | 114 Ų | 114 | 49.6 Ų | 49.6 | 53% | 0.528 | 27% | 0.266 | S | S | . | . | trans | -82.4 | 134.1 | -179 | -68.1 | -47.4 | 0 | 0 | 0 | 110.6 | S342 A343 H346 T350 | S342-H348 PolarHBondContact O-N 2.87Å; S342-H348 VanDerWaalsContact O-N 3.15Å; A343-H348 WeakPolarHBondContact CA-O 3.46Å; H346-H348 WeakPolarHBondContact CB-CD2 3.1Å; H346-H348 PolarHBondContact O-N 3.18Å; H348-T350 HydrophobicContact CB-CG2 4.23Å; H348-T350 PolarHBondContact O-N 2.94Å | ||
| 349 | E | 93.5 | Very high | 88.1 | Confident | 103 Ų | 103 | 50.7 Ų | 50.7 | 48% | 0.481 | 26% | 0.263 | S | S | . | . | trans | -75.3 | 114.3 | 164.3 | -177.9 | 166.4 | -173 | 0 | 0 | 108.5 | S224 L225 K226 | S224-E349 WeakPolarHBondContact OG-CG 3.49Å; S224-E349 PolarHBondContact OG-OE1 2.66Å; L225-E349 WeakPolarHBondContact O-CA 3.26Å; K226-E349 HydrophobicContact CB-CB 4.14Å; K226-E349 HydrophobicContact CB-CG 4.04Å; K226-E349 HydrophobicContact CD-CB 4.48Å; K226-E349 WeakPolarHBondContact CD-OE2 3.44Å; K226-E349 WeakPolarHBondContact CE-OE2 3.05Å; K226-E349 HydrophobicContact CG-CB 4.14Å; K226-E349 HydrophobicContact CG-CG 4.44Å; K226-E349 IonicContact NZ-OE2 2.84Å; K226-E349 PolarHBondContact NZ-OE2 2.78Å | ||
| 350 | T | 91.3 | Very high | 86.8 | Confident | 31 Ų | 31 | 51 Ų | 51 | 19% | 0.19 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 146.3 | 178.4 | 47.9 | 0 | 0 | 0 | 0 | 111.1 | S224 L225 H339 S342 H348 M352 | S224-T350 VanDerWaalsContact CA-O 3.23Å; S224-T350 WeakPolarHBondContact CA-O 2.82Å; S224-T350 PolarHBondContact OG-O 2.69Å; L225-T350 PolarHBondContact N-O 2.62Å; L225-T350 VanDerWaalsContact N-O 3.08Å; L225-T350 PolarHBondContact O-N 3.01Å; H339-T350 PolarHBondContact CD2-OG1 2.82Å; H339-T350 VanDerWaalsContact CD2-OG1 3.24Å; H339-T350 PolarHBondContact NE2-O 2.87Å; S342-T350 WeakPolarHBondContact OG-CG2 3.44Å; S342-T350 PolarHBondContact OG-OG1 2.93Å; H348-T350 HydrophobicContact CB-CG2 4.23Å; H348-T350 PolarHBondContact O-N 2.94Å; T350-M352 HydrophobicContact CG2-CE 4.41Å |
| 351 | T | 96.2 | Very high | 85.3 | Confident | 74 Ų | 74 | 56 Ų | 56 | 45% | 0.454 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 129.6 | 173 | -61.1 | 0 | 0 | 0 | 0 | 109 | E222 L223 S224 L239 | E222-T351 HydrophobicContact CG-CG2 3.81Å; L223-T351 CarbonylContact O-C 3.59Å; L223-T351 VanDerWaalsContact O-CA 3.28Å; L223-T351 WeakPolarHBondContact O-CA 3.43Å; S224-T351 WeakPolarHBondContact CB-OG1 3.33Å; L239-T351 HydrophobicContact CD1-CG2 3.49Å; L239-T351 VanDerWaalsContact CD1-CG2 3.49Å |
| 352 | M | 93.1 | Very high | 84.1 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 26% | 0.256 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 150.3 | -177.2 | -61.1 | -173.6 | -174 | 0 | 0 | 111.2 | L223 H339 T350 H354 | L223-M352 PolarHBondContact N-O 3.45Å; L223-M352 PolarHBondContact O-N 2.8Å; H339-M352 HydrophobicContact CB-CE 4.48Å; H339-M352 HydrophobicContact CB-SD 3.57Å; H339-M352 VanDerWaalsContact CB-SD 3.57Å; T350-M352 HydrophobicContact CG2-CE 4.41Å; M352-H354 PolarHBondContact O-CD2 3.37Å |
| 353 | W | 93.1 | Very high | 82.5 | Confident | 78 Ų | 78 | 58 Ų | 58 | 30% | 0.295 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 141.7 | 168.1 | -71.2 | 95.4 | 0 | 0 | 0 | 110.7 | E220 E222 R240 K242 | E220-W353 HydrophobicContact CB-CE3 3.56Å; E220-W353 HydrophobicContact CB-CZ3 4.09Å; E222-W353 HydrophobicContact CB-CD2 3.82Å; E222-W353 HydrophobicContact CB-CE3 3.69Å; E222-W353 HydrophobicContact CB-CH2 3.77Å; E222-W353 HydrophobicContact CB-CZ2 3.86Å; E222-W353 HydrophobicContact CB-CZ3 3.67Å; E222-W353 HydrophobicContact CG-CD2 4Å; E222-W353 HydrophobicContact CG-CE3 4.39Å; E222-W353 HydrophobicContact CG-CG 4.46Å; E222-W353 HydrophobicContact CG-CH2 4.42Å; E222-W353 HydrophobicContact CG-CZ2 3.99Å; E222-W353 PolarHBondContact OE1-NE1 3.31Å; R240-W353 HydrophobicContact CG-CH2 3.92Å; R240-W353 HydrophobicContact CG-CZ2 4.45Å; K242-W353 HydrophobicContact CB-CE3 4.43Å; K242-W353 HydrophobicContact CB-CH2 3.77Å; K242-W353 HydrophobicContact CB-CZ3 3.61Å |
| 354 | H | 91.3 | Very high | 80.7 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 131.3 | 176.7 | -68 | -93.8 | 0 | 0 | 0 | 110.3 | E220 L221 V325 S335 H339 M352 L356 | E220-H354 CarbonylContact C-O 3.51Å; E220-H354 VanDerWaalsContact CA-O 3.24Å; E220-H354 WeakPolarHBondContact CA-O 3.16Å; L221-H354 PolarHBondContact N-O 2.84Å; L221-H354 PolarHBondContact O-N 3.45Å; V325-H354 HydrophobicContact CB-CB 4.44Å; V325-H354 HydrophobicContact CG1-CB 3.6Å; V325-H354 HydrophobicContact CG2-CB 3.93Å; S335-H354 PolarHBondContact O-CE1 2.83Å; S335-H354 VanDerWaalsContact O-CE1 3.32Å; S335-H354 PolarHBondContact OG-ND1 3.14Å; H339-H354 AromaticContact CE1-NE2 3.83Å; H339-H354 AromaticContact CG-NE2 3.7Å; H339-H354 AromaticContact ND1-CD2 3.97Å; H339-H354 AromaticContact ND1-CE1 3.58Å; H339-H354 AromaticContact ND1-NE2 2.93Å; H339-H354 PolarHBondContact ND1-NE2 3.24Å; M352-H354 PolarHBondContact O-CD2 3.37Å; H354-L356 PolarHBondContact O-N 3.17Å |
| 355 | P | 86.3 | Confident | 78.1 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 14% | 0.136 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 132.4 | 175.1 | 29.9 | -35.7 | 0 | 0 | 0 | 110.3 | Y217 I333 M357 | Y217-P355 HydrophobicContact CD2-CB 3.47Å; Y217-P355 VanDerWaalsContact CD2-CB 3.47Å; Y217-P355 HydrophobicContact CE2-CB 3.57Å; I333-P355 HydrophobicContact CD1-CG 3.82Å; I333-P355 HydrophobicContact CG2-CG 4Å; P355-M357 HydrophobicContact CB-CE 3.65Å; P355-M357 HydrophobicContact CB-SD 4.31Å; P355-M357 HydrophobicContact CG-CE 3.87Å |
| 356 | L | 89.4 | Confident | 75.9 | Confident | 2 Ų | 2 | 75.3 Ų | 75.3 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 111 | 176.7 | -173.4 | 68.6 | 0 | 0 | 0 | 108.7 | Y217 N218 G219 I244 V309 L322 V325 H354 | Y217-L356 CarbonylContact C-O 3.53Å; Y217-L356 WeakPolarHBondContact CA-O 3.26Å; N218-L356 HydrophobicContact CB-CD2 4.18Å; N218-L356 HydrophobicContact CB-CG 4.42Å; N218-L356 PolarHBondContact N-O 3.16Å; G219-L356 WeakPolarHBondContact O-CB 3.4Å; G219-L356 PolarHBondContact O-N 2.73Å; I244-L356 HydrophobicContact CD1-CD2 3.78Å; I244-L356 HydrophobicContact CG1-CD2 4.04Å; V309-L356 HydrophobicContact CB-CD1 3.96Å; V309-L356 HydrophobicContact CB-CD2 4.14Å; V309-L356 HydrophobicContact CG2-CD1 3.47Å; V309-L356 VanDerWaalsContact CG2-CD1 3.47Å; V309-L356 HydrophobicContact CG2-CD2 4.27Å; L322-L356 HydrophobicContact CB-CD2 3.98Å; V325-L356 HydrophobicContact CG2-CD1 4.17Å; H354-L356 PolarHBondContact O-N 3.17Å |
| 357 | M | 81 | Confident | 73.3 | Confident | 25 Ų | 25 | 79.7 Ų | 79.7 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 139.2 | -172.9 | -61.3 | -60.8 | -165.4 | 0 | 0 | 112.8 | G216 Y217 R324 I333 P355 W359 L360 | G216-M357 CarbonylContact O-C 3.5Å; G216-M357 WeakPolarHBondContact O-CA 3.11Å; Y217-M357 HydrophobicContact CD2-CE 4.16Å; Y217-M357 HydrophobicContact CD2-SD 4.24Å; Y217-M357 HydrophobicContact CG-SD 4.38Å; R324-M357 WeakPolarHBondContact CB-O 3.45Å; R324-M357 PolarHBondContact N-O 3.19Å; R324-M357 PolarHBondContact O-N 3.45Å; I333-M357 HydrophobicContact CD1-CE 3.92Å; I333-M357 HydrophobicContact CD1-CG 3.69Å; P355-M357 HydrophobicContact CB-CE 3.65Å; P355-M357 HydrophobicContact CB-SD 4.31Å; P355-M357 HydrophobicContact CG-CE 3.87Å; M357-W359 HydrophobicContact CG-CZ2 4.38Å; M357-L360 HydrophobicContact CB-CB 4.27Å; M357-L360 HydrophobicContact CB-CD1 3.67Å; M357-L360 HydrophobicContact CB-CG 3.57Å; M357-L360 HydrophobicContact CG-CD1 4.02Å; M357-L360 HydrophobicContact CG-CG 4.15Å |
| 358 | S | 75.2 | Confident | 70.7 | Confident | 66 Ų | 66 | 83.1 Ų | 83.1 | 46% | 0.462 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -87.4 | -27.1 | 178.8 | 75.9 | 0 | 0 | 0 | 0 | 113.4 | G216 | G216-S358 WeakPolarHBondContact CA-OG 3.39Å; G216-S358 PolarHBondContact O-N 2.83Å |
| 359 | W | 67.7 | Low | 67.8 | Low | 134 Ų | 134 | 90 Ų | 90 | 51% | 0.508 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -84.8 | -14.3 | -179.6 | 60.9 | -90.8 | 0 | 0 | 0 | 113.9 | H215 M357 Q361 | H215-W359 PolarHBondContact O-NE1 3.4Å; M357-W359 HydrophobicContact CG-CZ2 4.38Å; W359-Q361 PolarHBondContact O-N 3.17Å |
| 360 | L | 65.9 | Low | 66.6 | Low | 5 Ų | 5 | 89.4 Ų | 89.4 | 3% | 0.026 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -57 | 117.4 | -178.6 | -81.3 | 178.6 | 0 | 0 | 0 | 109.3 | R324 V326 P332 I333 M357 | R324-L360 HydrophobicContact CB-CB 4.07Å; R324-L360 HydrophobicContact CB-CD1 4.46Å; R324-L360 WeakPolarHBondContact CD-O 3.4Å; R324-L360 HydrophobicContact CG-CB 4.15Å; R324-L360 PolarHBondContact NE-O 2.76Å; R324-L360 PolarHBondContact NH1-O 3.28Å; R324-L360 WeakPolarHBondContact O-CD1 3.28Å; V326-L360 HydrophobicContact CG2-CD1 4.18Å; P332-L360 HydrophobicContact CB-CD2 4.01Å; P332-L360 HydrophobicContact CG-CD2 3.31Å; I333-L360 HydrophobicContact CD1-CD1 4.11Å; I333-L360 HydrophobicContact CD1-CD2 4.49Å; M357-L360 HydrophobicContact CB-CB 4.27Å; M357-L360 HydrophobicContact CB-CD1 3.67Å; M357-L360 HydrophobicContact CB-CG 3.57Å; M357-L360 HydrophobicContact CG-CD1 4.02Å; M357-L360 HydrophobicContact CG-CG 4.15Å |
| 361 | Q | 62.1 | Low | 65.3 | Low | 112 Ų | 112 | 92.4 Ų | 92.4 | 52% | 0.523 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 164.1 | -177.3 | -65.2 | -166.5 | 6.9 | 0 | 0 | 111.4 | R324 W359 | R324-Q361 PolarHBondContact NH1-O 3.05Å; W359-Q361 PolarHBondContact O-N 3.17Å |
| 362 | T | 64.9 | Low | 63.5 | Low | 57 Ų | 57 | 93.4 Ų | 93.4 | 35% | 0.35 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 135 | 177.3 | -52.6 | 0 | 0 | 0 | 0 | 106 | W265 R324 H364 R365 | W265-T362 HydrophobicContact CH2-CG2 3.44Å; W265-T362 VanDerWaalsContact CH2-CG2 3.44Å; W265-T362 HydrophobicContact CZ2-CG2 3.28Å; R324-T362 PolarHBondContact NH1-OG1 3.11Å; T362-H364 PolarHBondContact O-N 2.84Å; T362-R365 PolarHBondContact O-N 3.5Å |
| 363 | P | 59.2 | Low | 61.8 | Low | 44 Ų | 44 | 95.9 Ų | 95.9 | 29% | 0.286 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 5.4 | -170.1 | -27.7 | 34.7 | 0 | 0 | 0 | 117.8 | V304 E306 V326 | V304-P363 HydrophobicContact CG1-CB 4.17Å; V304-P363 HydrophobicContact CG1-CG 3.89Å; E306-P363 HydrophobicContact CB-CG 4.44Å; V326-P363 HydrophobicContact CG1-CG 4.49Å |
| 364 | H | 55.1 | Low | 59.9 | Low | 62 Ų | 62 | 97 Ų | 97 | 29% | 0.287 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | 9.3 | -176.9 | -58.8 | -50.9 | 0 | 0 | 0 | 116.7 | W265 S268 T362 R366 | W265-H364 AromaticContact CD2-CD2 3.5Å; W265-H364 AromaticContact CD2-NE2 3.18Å; W265-H364 AromaticContact CE3-CD2 2.89Å; W265-H364 AromaticContact CE3-NE2 2.89Å; W265-H364 AromaticContact CG-NE2 3.57Å; W265-H364 AromaticContact CH2-CD2 3.57Å; W265-H364 AromaticContact CZ3-CD2 2.92Å; W265-H364 WeakPolarHBondContact CZ3-CD2 3.29Å; W265-H364 AromaticContact CZ3-CG 3.97Å; W265-H364 AromaticContact CZ3-NE2 3.52Å; S268-H364 WeakPolarHBondContact CA-CE1 3.31Å; S268-H364 WeakPolarHBondContact CA-ND1 3.33Å; S268-H364 WeakPolarHBondContact CB-ND1 3.3Å; S268-H364 PolarHBondContact OG-ND1 3.5Å; T362-H364 PolarHBondContact O-N 2.84Å; H364-R366 PolarHBondContact O-N 2.88Å |
| 365 | R | 37.6 | Very low | 57.8 | Low | 199 Ų | 199 | 103.4 Ų | 103.4 | 75% | 0.751 | 48% | 0.481 | S | S | * | . | trans | -85.7 | 86.7 | 160.6 | -95.5 | -167.2 | -175.9 | -159.7 | 1.4 | 109 | T362 Y367 | T362-R365 PolarHBondContact O-N 3.5Å; R365-Y367 PolarHBondContact O-N 2.74Å | ||
| 366 | R | 35.4 | Very low | 55.7 | Low | 236 Ų | 236 | 109.3 Ų | 109.3 | 89% | 0.891 | 51% | 0.505 | S | S | * | . | trans | -62 | 132.7 | 157.8 | -80.1 | -167.3 | -175.1 | -167.9 | 2.4 | 107.8 | H364 S368 | H364-R366 PolarHBondContact O-N 2.88Å; R366-S368 PolarHBondContact O-N 3.48Å; R366-S368 VanDerWaalsContact O-N 3.11Å | ||
| 367 | Y | 29.7 | Very low | 53.1 | Low | 213 Ų | 213 | 117.5 Ų | 117.5 | 84% | 0.835 | 54% | 0.543 | S | S | * | . | trans | -43.4 | 112.3 | 164.5 | -73.5 | -100.2 | 0 | 0 | 0 | 109.8 | R365 Q369 | R365-Y367 PolarHBondContact O-N 2.74Å; Y367-Q369 PolarHBondContact O-N 3.15Å | ||
| 368 | S | 28.6 | Very low | 50.8 | Low | 116 Ų | 116 | 125.3 Ų | 125.3 | 81% | 0.811 | 58% | 0.578 | S | S | * | * | trans | -77.9 | 108.7 | 151 | 57.7 | 0 | 0 | 0 | 0 | 105.5 | R366 | R366-S368 PolarHBondContact O-N 3.48Å; R366-S368 VanDerWaalsContact O-N 3.11Å | ||
| 369 | Q | 28.2 | Very low | 48.6 | Very low | 259 Ų | 259 | 130.6 Ų | 130.6 | 100% | 1.21 | 59% | 0.589 | S | S | * | * | trans | 27.1 | 0 | 168.1 | -69 | -173.7 | -9.8 | 0 | 0 | 118.8 | Y367 | Y367-Q369 PolarHBondContact O-N 3.15Š|
Retrieved 369 of 369 residues in 102.1 ms
(Link to these results)