| 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 | 65 | Low | 58.3 | Low | 226 Ų | 226 | 157.9 Ų | 157.9 | 100% | 1.113 | 84% | 0.841 | S | S | * | * | 0 | 67.1 | 0 | -80.4 | 160.3 | 176.6 | 0 | 0 | 106.6 | |||||
| 2 | E | 53.2 | Low | 58.5 | Low | 179 Ų | 179 | 158.3 Ų | 158.3 | 84% | 0.836 | 84% | 0.843 | S | S | * | * | 37.3 | 99.2 | 76.3 | 46.7 | -168.7 | 83.4 | 0 | 0 | 112.4 | |||||
| 3 | H | 67.8 | Low | 58.3 | Low | 183 Ų | 183 | 151.8 Ų | 151.8 | 85% | 0.847 | 84% | 0.837 | S | S | * | * | trans | -156.7 | 96.3 | 148.8 | -96.4 | -74 | 0 | 0 | 0 | 108.8 | ||||
| 4 | E | 53.1 | Low | 57.3 | Low | 175 Ų | 175 | 150.6 Ų | 150.6 | 82% | 0.818 | 84% | 0.842 | S | S | * | * | trans | -78.1 | 138.7 | 162.3 | 179.3 | -176.2 | 99.4 | 0 | 0 | 108.8 | ||||
| 5 | Q | 61 | Low | 56.9 | Low | 175 Ų | 175 | 149.1 Ų | 149.1 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -163.8 | 99.2 | 157.9 | -115.4 | 172.4 | 102 | 0 | 0 | 113.6 | ||||
| 6 | V | 62.3 | Low | 56 | Low | 130 Ų | 130 | 147.4 Ų | 147.4 | 79% | 0.788 | 84% | 0.838 | S | S | * | * | 37.3 | 122.7 | 126.5 | 178.5 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 7 | S | 51 | Low | 55.5 | Low | 109 Ų | 109 | 146.2 Ų | 146.2 | 76% | 0.762 | 84% | 0.835 | S | S | * | * | trans | -76.3 | 159.1 | 167.6 | -53.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 8 | P | 66.6 | Low | 54.5 | Low | 126 Ų | 126 | 144.7 Ų | 144.7 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -112.5 | 134.2 | 150.7 | 32.9 | -22 | 0 | 0 | 0 | 112.3 | ||||
| 9 | Q | 47.9 | Very low | 53.9 | Low | 199 Ų | 199 | 144.1 Ų | 144.1 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | trans | -83.8 | 136.8 | 165.8 | -65.4 | -123.9 | -58.7 | 0 | 0 | 109.5 | ||||
| 10 | V | 61.2 | Low | 54.1 | Low | 132 Ų | 132 | 147.7 Ų | 147.7 | 80% | 0.8 | 83% | 0.833 | S | S | * | * | trans | -133.5 | 132.1 | 165.7 | 62.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 11 | S | 52.6 | Low | 53.6 | Low | 103 Ų | 103 | 146 Ų | 146 | 72% | 0.72 | 83% | 0.831 | S | S | * | * | trans | -110.7 | 127.7 | -178.5 | 46.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 12 | D | 59.9 | Low | 53.2 | Low | 162 Ų | 162 | 141.2 Ų | 141.2 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | -157.9 | 134.2 | 162.8 | -73.8 | -54.1 | 0 | 0 | 0 | 105.5 | ||||
| 13 | G | 56.7 | Low | 52.9 | Low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 82% | 0.816 | S | S | * | * | cis | 134.5 | 91.5 | 29.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 14 | C | 43.3 | Very low | 51.9 | Low | 135 Ų | 135 | 134.3 Ų | 134.3 | 91% | 0.912 | 81% | 0.812 | S | S | * | * | trans | -88.9 | 122.6 | 176.2 | -88.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 15 | T | 51.8 | Low | 51.9 | Low | 129 Ų | 129 | 134.1 Ų | 134.1 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -138.5 | 118.5 | 166.9 | -62.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 16 | C | 42.8 | Very low | 51 | Low | 122 Ų | 122 | 130.1 Ų | 130.1 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -117.5 | 124.2 | 170.8 | 37.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 17 | T | 47.7 | Very low | 50.8 | Low | 127 Ų | 127 | 131.2 Ų | 131.2 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | trans | -129.5 | 117.5 | 172 | -10.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 18 | C | 37.1 | Very low | 50.5 | Low | 119 Ų | 119 | 132.1 Ų | 132.1 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -102.9 | 118.6 | 175.3 | -35.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 19 | T | 42.4 | Very low | 49.7 | Very low | 133 Ų | 133 | 129.8 Ų | 129.8 | 82% | 0.816 | 83% | 0.826 | S | S | * | * | trans | -129.2 | 115.9 | 165.2 | 20.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 20 | Y | 58 | Low | 49.7 | Very low | 215 Ų | 215 | 125.8 Ų | 125.8 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -129.8 | 115.3 | 152.2 | 69.1 | -89.4 | 0 | 0 | 0 | 108 | ||||
| 21 | S | 45.3 | Very low | 49.5 | Very low | 113 Ų | 113 | 127.8 Ų | 127.8 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -137.1 | 121 | 167.2 | -65.8 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 22 | S | 55 | Low | 49.5 | Very low | 126 Ų | 126 | 131 Ų | 131 | 88% | 0.881 | 83% | 0.834 | S | S | * | * | trans | -134.4 | 105.1 | 174.8 | -55.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 23 | S | 46.5 | Very low | 48.8 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 76% | 0.755 | 83% | 0.834 | S | S | * | * | trans | -98.9 | 141 | 178.2 | 39.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 24 | S | 47.4 | Very low | 48.6 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 76% | 0.762 | 84% | 0.836 | S | S | * | * | trans | 59 | 121.3 | 150.7 | 60.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 25 | N | 52.8 | Low | 48.9 | Very low | 170 Ų | 170 | 128.1 Ų | 128.1 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -145.9 | 131.5 | 132.6 | -125.6 | 23.2 | 0 | 0 | 0 | 110.2 | ||||
| 26 | A | 42.7 | Very low | 49 | Very low | 92 Ų | 92 | 127 Ų | 127 | 76% | 0.76 | 83% | 0.827 | S | S | * | * | trans | -92.6 | 141.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 27 | T | 57.4 | Low | 49.3 | Very low | 152 Ų | 152 | 127.2 Ų | 127.2 | 93% | 0.933 | 83% | 0.827 | S | S | * | * | trans | -153.5 | 133.5 | 156.7 | 23.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 28 | S | 46.1 | Very low | 49.5 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 90% | 0.895 | 83% | 0.827 | S | S | * | * | trans | -84.1 | 149.7 | -175.7 | 35.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 29 | G | 49.8 | Very low | 50.2 | Low | 78 Ų | 78 | 126.8 Ų | 126.8 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -179.5 | 102.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 30 | S | 46.5 | Very low | 50.6 | Low | 114 Ų | 114 | 124.8 Ų | 124.8 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -67.7 | 153.6 | 167.9 | -79.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 31 | L | 57.9 | Low | 50.1 | Low | 175 Ų | 175 | 121.6 Ų | 121.6 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | 171.3 | 140.9 | 118.4 | -82.8 | 166.3 | 0 | 0 | 0 | 110.9 | |||||
| 32 | N | 51.8 | Low | 50.2 | Low | 171 Ų | 171 | 122.9 Ų | 122.9 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -68.7 | 153.1 | -173.6 | -70.4 | -30.2 | 0 | 0 | 0 | 114.8 | ||||
| 33 | G | 46.6 | Very low | 50 | Low | 84 Ų | 84 | 122 Ų | 122 | 87% | 0.866 | 81% | 0.806 | S | S | * | * | trans | -157.8 | 110.1 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 34 | S | 51.6 | Low | 49.8 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -94.6 | 169.5 | -175.3 | 176.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 35 | S | 50.7 | Low | 49.3 | Very low | 110 Ų | 110 | 119.7 Ų | 119.7 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | 87.7 | 127.7 | 169.4 | 77.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 36 | S | 53.3 | Low | 48.9 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 75% | 0.748 | 82% | 0.818 | S | S | * | * | cis | -163.5 | 154.6 | 26.7 | -55.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 37 | P | 49.6 | Very low | 48.9 | Very low | 126 Ų | 126 | 120.4 Ų | 120.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -118.2 | 133.1 | 164.4 | 35.3 | -22 | 0 | 0 | 0 | 112.8 | ||||
| 38 | T | 51 | Low | 48.7 | Very low | 127 Ų | 127 | 119 Ų | 119 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | trans | -147.8 | 120.5 | 169 | 54.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 39 | S | 52.2 | Low | 48.8 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | trans | 30.6 | 145.9 | 137.3 | 58 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 40 | S | 50 | Low | 49 | Very low | 91 Ų | 91 | 126.8 Ų | 126.8 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | cis | 179.6 | 168.3 | -5 | 43.8 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 41 | D | 47.9 | Very low | 49.6 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 80% | 0.797 | 81% | 0.807 | S | S | * | * | trans | 80.1 | 134.8 | 165 | -49.5 | -59.8 | 0 | 0 | 0 | 117.7 | ||||
| 42 | D | 47.1 | Very low | 49.4 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | cis | -170.2 | 162.3 | -11.5 | 168.1 | 60.9 | 0 | 0 | 0 | 107.1 | ||||
| 43 | S | 51.1 | Low | 49.6 | Very low | 107 Ų | 107 | 129.3 Ų | 129.3 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 76.5 | 120 | 172.9 | -59.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 44 | G | 41.6 | Very low | 49.8 | Very low | 85 Ų | 85 | 134.3 Ų | 134.3 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | cis | 160.4 | 112 | 4.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 45 | G | 38 | Very low | 49.9 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | 177.2 | 45.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 46 | K | 43.6 | Very low | 50.4 | Low | 216 Ų | 216 | 138.4 Ų | 138.4 | 94% | 0.939 | 78% | 0.781 | S | S | * | * | trans | -79.1 | 114.7 | 175.8 | -144.7 | 167.7 | -179.4 | 175.6 | 0 | 108.7 | ||||
| 47 | G | 43.6 | Very low | 51.1 | Low | 61 Ų | 61 | 138.8 Ų | 138.8 | 63% | 0.629 | 77% | 0.769 | S | S | * | * | trans | -144.1 | 61.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 48 | T | 53.5 | Low | 52 | Low | 123 Ų | 123 | 137.7 Ų | 137.7 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | 22.9 | 124.9 | 145 | 64.4 | 0 | 0 | 0 | 0 | 119.2 | K50 | T48-K50 PolarHBondContact O-N 2.82Š| ||
| 49 | N | 46.9 | Very low | 53.1 | Low | 162 Ų | 162 | 134.6 Ų | 134.6 | 87% | 0.866 | 74% | 0.735 | S | S | * | * | trans | 9 | 86.1 | 149 | -77.8 | -25.3 | 0 | 0 | 0 | 115.8 | R51 | N49-R51 VanDerWaalsContact C-N 3.34Å; N49-R51 PolarHBondContact O-N 2.99Å | ||
| 50 | K | 54.6 | Low | 54.8 | Low | 207 Ų | 207 | 135.7 Ų | 135.7 | 90% | 0.9 | 74% | 0.737 | S | S | * | * | trans | -73 | 92 | 169.8 | -92.4 | 167.2 | 178.5 | 165.9 | 0 | 108.8 | T48 | T48-K50 PolarHBondContact O-N 2.82Š| ||
| 51 | R | 59.8 | Low | 56.9 | Low | 215 Ų | 215 | 133.8 Ų | 133.8 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | trans | -41 | 140.9 | 162.4 | -67.1 | 179.6 | 169.5 | -169 | -3.6 | 109.2 | N49 R53 | N49-R51 VanDerWaalsContact C-N 3.34Å; N49-R51 PolarHBondContact O-N 2.99Å; R51-R53 VanDerWaalsContact C-N 3.32Å; R51-R53 PolarHBondContact O-N 2.97Å | ||
| 52 | P | 52.8 | Low | 59 | Low | 85 Ų | 85 | 132.1 Ų | 132.1 | 55% | 0.552 | 70% | 0.699 | S | S | * | * | trans | -60.4 | 98.4 | 175.8 | 25.3 | -32.4 | 0 | 0 | 0 | 108.4 | R54 | P52-R54 HydrophobicContact CB-CG 3.92Å; P52-R54 PolarHBondContact O-N 2.85Å | ||
| 53 | R | 56.3 | Low | 61.2 | Low | 212 Ų | 212 | 127 Ų | 127 | 80% | 0.8 | 68% | 0.679 | S | S | * | * | trans | -76.8 | 48.3 | 167.7 | -82.3 | -156.6 | -171.2 | 161.6 | 3.2 | 109 | R51 K57 | R51-R53 VanDerWaalsContact C-N 3.32Å; R51-R53 PolarHBondContact O-N 2.97Å; R53-K57 VanDerWaalsContact C-NZ 3.29Å; R53-K57 WeakPolarHBondContact O-CE 3.06Å; R53-K57 PolarHBondContact O-NZ 2.84Å | ||
| 54 | R | 51.4 | Low | 63.3 | Low | 190 Ų | 190 | 122.6 Ų | 122.6 | 72% | 0.717 | 65% | 0.648 | S | S | * | * | trans | -69.9 | 124.7 | 150.2 | -46.1 | 169.8 | -158.9 | 157.4 | 4.6 | 102.6 | P52 | P52-R54 HydrophobicContact CB-CG 3.92Å; P52-R54 PolarHBondContact O-N 2.85Å | ||
| 55 | D | 52.6 | Low | 65.8 | Low | 140 Ų | 140 | 123 Ų | 123 | 75% | 0.749 | 62% | 0.622 | S | S | * | * | S | Bend | -166.9 | 15.9 | 76.1 | -67.4 | -49.7 | 0 | 0 | 0 | 113.6 | |||
| 56 | L | 60.9 | Low | 68.5 | Low | 171 Ų | 171 | 123.4 Ų | 123.4 | 90% | 0.895 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -147.6 | 15.7 | -177.1 | -67.8 | 170 | 0 | 0 | 0 | 114.4 | ||
| 57 | K | 67.9 | Low | 70.9 | Confident | 115 Ų | 115 | 119.7 Ų | 119.7 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -111.4 | 127.6 | -175 | -74.2 | 82.6 | 77 | -163.7 | 0 | 108.3 | R53 | R53-K57 VanDerWaalsContact C-NZ 3.29Å; R53-K57 WeakPolarHBondContact O-CE 3.06Å; R53-K57 PolarHBondContact O-NZ 2.84Å |
| 58 | H | 68.8 | Low | 73.2 | Confident | 102 Ų | 102 | 122.2 Ų | 122.2 | 47% | 0.472 | 60% | 0.598 | S | S | . | * | trans | -48.2 | 148.5 | 179.3 | -59 | -85.3 | 0 | 0 | 0 | 112.3 | T60 M66 W72 | H58-T60 PolarHBondContact O-N 2.91Å; H58-T60 PolarHBondContact O-OG1 2.82Å; H58-M66 WeakPolarHBondContact CD2-CE 3.39Å; H58-M66 VanDerWaalsContact CD2-SD 3.56Å; H58-W72 HydrophobicContact CB-CH2 3.48Å; H58-W72 VanDerWaalsContact CB-CH2 3.48Å; H58-W72 HydrophobicContact CB-CZ2 4.03Å; H58-W72 AromaticContact CG-CH2 3.85Å | ||
| 59 | P | 74.9 | Confident | 74.9 | Confident | 63 Ų | 63 | 126 Ų | 126 | 41% | 0.409 | 60% | 0.599 | S | S | . | * | trans | -55.2 | 115.9 | 177 | 23.9 | -33.6 | 0 | 0 | 0 | 109.4 | Y61 P93 | P59-Y61 HydrophobicContact CB-CD2 4.4Å; P59-Y61 HydrophobicContact CB-CE2 3.75Å; P59-Y61 HydrophobicContact CG-CE2 3.78Å; P59-Y61 PolarHBondContact O-N 2.75Å; P59-P93 HydrophobicContact CG-CG 4.3Å | ||
| 60 | T | 86.8 | Confident | 77.1 | Confident | 131 Ų | 131 | 120.4 Ų | 120.4 | 80% | 0.804 | 58% | 0.579 | S | S | * | * | trans | -87.6 | 95.2 | -178.4 | -55.6 | 0 | 0 | 0 | 0 | 108.4 | H58 | H58-T60 PolarHBondContact O-N 2.91Å; H58-T60 PolarHBondContact O-OG1 2.82Å | ||
| 61 | Y | 94.2 | Very high | 78.9 | Confident | 52 Ų | 52 | 114.1 Ų | 114.1 | 20% | 0.204 | 55% | 0.552 | C | S | . | * | trans | -79.6 | 154.3 | 172.9 | -61.8 | -76.4 | 0 | 0 | 0 | 111.7 | P59 V64 P93 E94 A97 N115 F116 | P59-Y61 HydrophobicContact CB-CD2 4.4Å; P59-Y61 HydrophobicContact CB-CE2 3.75Å; P59-Y61 HydrophobicContact CG-CE2 3.78Å; P59-Y61 PolarHBondContact O-N 2.75Å; Y61-V64 PolarHBondContact O-N 2.88Å; Y61-P93 HydrophobicContact CD2-CB 3.83Å; Y61-P93 HydrophobicContact CE2-CB 3.79Å; Y61-P93 HydrophobicContact CE2-CG 4.26Å; Y61-E94 HydrophobicContact CE2-CG 4.38Å; Y61-E94 PolarHBondContact OH-OE1 3.2Å; Y61-A97 HydrophobicContact CD1-CB 3.9Å; Y61-A97 HydrophobicContact CD2-CB 4.02Å; Y61-A97 HydrophobicContact CG-CB 3.59Å; Y61-N115 HydrophobicContact CD1-CB 4.24Å; Y61-F116 HydrophobicContact CD1-CZ 4.28Å; Y61-F116 HydrophobicContact CE1-CE1 4.18Å; Y61-F116 AromaticContact CE1-CZ 3.75Å; Y61-F116 HydrophobicContact CE1-CZ 3.75Å | ||
| 62 | R | 93.3 | Very high | 80.6 | Confident | 114 Ų | 114 | 104.9 Ų | 104.9 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 134.3 | 177.5 | -60 | 170.5 | 61.4 | -103.4 | 1.6 | 109.4 | V64 H100 H113 N115 | R62-V64 PolarHBondContact O-N 3.04Å; R62-H100 PolarHBondContact O-ND1 2.88Å; R62-H113 VanDerWaalsContact NH1-C 3.33Å; R62-H113 PolarHBondContact NH1-O 3.05Å; R62-N115 VanDerWaalsContact CB-OD1 3.25Å; R62-N115 WeakPolarHBondContact CB-OD1 3.43Å; R62-N115 WeakPolarHBondContact CG-OD1 3.32Å; R62-N115 PolarHBondContact N-OD1 2.99Å; R62-N115 PolarHBondContact O-ND2 3.09Å |
| 63 | G | 93.6 | Very high | 82.6 | Confident | 33 Ų | 33 | 101 Ų | 101 | 34% | 0.34 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 1.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | E75 | G63-E75 PolarHBondContact O-N 2.94Š|
| 64 | V | 95.1 | Very high | 84.6 | Confident | 14 Ų | 14 | 90.9 Ų | 90.9 | 9% | 0.085 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 130.6 | -178.3 | 178.9 | 0 | 0 | 0 | 0 | 109.8 | Y61 R62 W72 A96 A97 | Y61-V64 PolarHBondContact O-N 2.88Å; R62-V64 PolarHBondContact O-N 3.04Å; V64-W72 HydrophobicContact CG1-CB 4.35Å; V64-W72 HydrophobicContact CG1-CD2 4.33Å; V64-W72 HydrophobicContact CG1-CE3 3.46Å; V64-W72 VanDerWaalsContact CG1-CE3 3.46Å; V64-W72 HydrophobicContact CG1-CZ3 4.09Å; V64-A96 HydrophobicContact CB-CB 4.35Å; V64-A96 HydrophobicContact CG1-CB 3.73Å; V64-A96 HydrophobicContact CG2-CB 3.7Å; V64-A97 HydrophobicContact CG2-CB 4Å |
| 65 | R | 94.3 | Very high | 86.7 | Confident | 92 Ų | 92 | 83.7 Ų | 83.7 | 35% | 0.347 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 142.1 | 174.8 | 61.3 | 179.1 | 176.8 | 74.6 | 0.3 | 111.1 | V73 E75 | R65-V73 HydrophobicContact CG-CB 4.05Å; R65-V73 PolarHBondContact N-O 3.35Å; R65-V73 PolarHBondContact O-N 3Å; R65-E75 IonicContact CZ-OE2 3.95Å; R65-E75 IonicContact NE-OE2 3.51Å; R65-E75 PolarHBondContact NE-OE2 3.26Å; R65-E75 VanDerWaalsContact NE-OE2 3.13Å; R65-E75 IonicContact NH2-OE2 2.88Å; R65-E75 PolarHBondContact NH2-OE2 3.16Å |
| 66 | M | 93.6 | Very high | 88.7 | Confident | 94 Ų | 94 | 77.7 Ų | 77.7 | 46% | 0.463 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 127.1 | 172.7 | -163.9 | 170.5 | 66.7 | 0 | 0 | 109.5 | H58 W72 | H58-M66 WeakPolarHBondContact CD2-CE 3.39Å; H58-M66 VanDerWaalsContact CD2-SD 3.56Å; M66-W72 HydrophobicContact CB-CD2 4.48Å; M66-W72 HydrophobicContact CB-CE3 3.93Å; M66-W72 HydrophobicContact CB-CH2 3.97Å; M66-W72 HydrophobicContact CB-CZ2 4.48Å; M66-W72 HydrophobicContact CB-CZ3 3.69Å; M66-W72 HydrophobicContact CG-CD2 4.47Å; M66-W72 HydrophobicContact CG-CE3 4.4Å; M66-W72 HydrophobicContact CG-CH2 4.19Å; M66-W72 HydrophobicContact CG-CZ2 4.22Å; M66-W72 HydrophobicContact CG-CZ3 4.3Å; M66-W72 HydrophobicContact SD-CH2 3.78Å; M66-W72 HydrophobicContact SD-CZ2 3.66Å; M66-W72 HydrophobicContact SD-CZ3 4.45Å |
| 67 | R | 93.5 | Very high | 90.3 | Very high | 137 Ų | 137 | 77.2 Ų | 77.2 | 52% | 0.517 | 38% | 0.382 | S | S | . | . | trans | -89.3 | 157.4 | 170.8 | -175.5 | 175 | -78.3 | 163.8 | -4.7 | 109.5 | W69 G70 K71 | R67-W69 HydrophobicContact CG-CB 4.29Å; R67-W69 PolarHBondContact O-N 3.36Å; R67-W69 VanDerWaalsContact O-N 3.09Å; R67-G70 PolarHBondContact O-N 3.49Å; R67-K71 PolarHBondContact N-O 3.46Å; R67-K71 VanDerWaalsContact N-O 3.16Å | ||
| 68 | A | 92.7 | Very high | 91.2 | Very high | 114 Ų | 114 | 72.7 Ų | 72.7 | 94% | 0.942 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -26.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.8 | G70 | A68-G70 PolarHBondContact O-N 3.43Š|
| 69 | W | 89.2 | Confident | 92.1 | Very high | 204 Ų | 204 | 72.9 Ų | 72.9 | 77% | 0.773 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -12.5 | 172.1 | -179.4 | -116.9 | 0 | 0 | 0 | 114.2 | R67 K71 | R67-W69 HydrophobicContact CG-CB 4.29Å; R67-W69 PolarHBondContact O-N 3.36Å; R67-W69 VanDerWaalsContact O-N 3.09Å; W69-K71 HydrophobicContact CG-CG 4.41Å |
| 70 | G | 92.1 | Very high | 92.8 | Very high | 43 Ų | 43 | 81.5 Ų | 81.5 | 44% | 0.443 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 86.8 | 1.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R67 A68 | R67-G70 PolarHBondContact O-N 3.49Å; A68-G70 PolarHBondContact O-N 3.43Å |
| 71 | K | 94.1 | Very high | 92.9 | Very high | 76 Ų | 76 | 79.6 Ų | 79.6 | 33% | 0.33 | 38% | 0.378 | S | S | . | . | trans | -91.3 | 146.3 | 172.9 | -59.8 | -68.5 | -171.3 | -179.3 | 0 | 111.7 | R67 W69 D91 | R67-K71 PolarHBondContact N-O 3.46Å; R67-K71 VanDerWaalsContact N-O 3.16Å; W69-K71 HydrophobicContact CG-CG 4.41Å; K71-D91 WeakPolarHBondContact CD-OD1 3.47Å; K71-D91 WeakPolarHBondContact CE-OD1 3.5Å; K71-D91 IonicContact NZ-OD1 3.46Å; K71-D91 PolarHBondContact NZ-OD1 3.39Å; K71-D91 IonicContact NZ-OD2 2.58Å | ||
| 72 | W | 95 | Very high | 92.8 | Very high | 21 Ų | 21 | 87.7 Ų | 87.7 | 8% | 0.08 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 127.3 | 174 | -60.5 | 89.3 | 0 | 0 | 0 | 109.6 | H58 V64 M66 T89 F90 D91 P93 A96 | H58-W72 HydrophobicContact CB-CH2 3.48Å; H58-W72 VanDerWaalsContact CB-CH2 3.48Å; H58-W72 HydrophobicContact CB-CZ2 4.03Å; H58-W72 AromaticContact CG-CH2 3.85Å; V64-W72 HydrophobicContact CG1-CB 4.35Å; V64-W72 HydrophobicContact CG1-CD2 4.33Å; V64-W72 HydrophobicContact CG1-CE3 3.46Å; V64-W72 VanDerWaalsContact CG1-CE3 3.46Å; V64-W72 HydrophobicContact CG1-CZ3 4.09Å; M66-W72 HydrophobicContact CB-CD2 4.48Å; M66-W72 HydrophobicContact CB-CE3 3.93Å; M66-W72 HydrophobicContact CB-CH2 3.97Å; M66-W72 HydrophobicContact CB-CZ2 4.48Å; M66-W72 HydrophobicContact CB-CZ3 3.69Å; M66-W72 HydrophobicContact CG-CD2 4.47Å; M66-W72 HydrophobicContact CG-CE3 4.4Å; M66-W72 HydrophobicContact CG-CH2 4.19Å; M66-W72 HydrophobicContact CG-CZ2 4.22Å; M66-W72 HydrophobicContact CG-CZ3 4.3Å; M66-W72 HydrophobicContact SD-CH2 3.78Å; M66-W72 HydrophobicContact SD-CZ2 3.66Å; M66-W72 HydrophobicContact SD-CZ3 4.45Å; W72-T89 CarbonylContact O-C 3.48Å; W72-T89 VanDerWaalsContact O-CA 3.26Å; W72-T89 WeakPolarHBondContact O-CA 3.28Å; W72-F90 WeakPolarHBondContact CA-O 3.23Å; W72-F90 VanDerWaalsContact CB-O 3.31Å; W72-F90 WeakPolarHBondContact CB-O 3.31Å; W72-F90 PolarHBondContact N-O 3.01Å; W72-F90 PolarHBondContact O-N 3.3Å; W72-D91 PolarHBondContact NE1-O 3.35Å; W72-P93 HydrophobicContact CD2-CB 3.67Å; W72-P93 HydrophobicContact CD2-CG 4.4Å; W72-P93 HydrophobicContact CE3-CB 3.83Å; W72-P93 HydrophobicContact CG-CB 4.3Å; W72-P93 HydrophobicContact CH2-CB 3.9Å; W72-P93 HydrophobicContact CH2-CG 4.36Å; W72-P93 HydrophobicContact CZ2-CB 3.78Å; W72-P93 HydrophobicContact CZ2-CG 3.88Å; W72-P93 HydrophobicContact CZ3-CB 3.91Å; W72-A96 HydrophobicContact CB-CB 3.93Å |
| 73 | V | 95.3 | Very high | 92.7 | Very high | 3 Ų | 3 | 85.2 Ų | 85.2 | 2% | 0.018 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 132 | 177.4 | -167.9 | 0 | 0 | 0 | 0 | 109.1 | R65 T89 | R65-V73 HydrophobicContact CG-CB 4.05Å; R65-V73 PolarHBondContact N-O 3.35Å; R65-V73 PolarHBondContact O-N 3Å; V73-T89 HydrophobicContact CB-CG2 4.48Å; V73-T89 HydrophobicContact CG1-CG2 4.21Å; V73-T89 HydrophobicContact CG2-CG2 4.01Å |
| 74 | S | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 91 Ų | 91 | 0% | 0 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.6 | 173.9 | -162.7 | 0 | 0 | 0 | 0 | 109.9 | L87 G88 A96 H100 | S74-L87 WeakPolarHBondContact O-CB 3.39Å; S74-L87 PolarHBondContact O-N 2.86Å; S74-G88 PolarHBondContact N-O 2.96Å; S74-G88 PolarHBondContact O-N 3.09Å; S74-A96 WeakPolarHBondContact CB-O 3.49Å; S74-A96 PolarHBondContact OG-O 3.27Å; S74-H100 WeakPolarHBondContact OG-CB 3.44Å |
| 75 | E | 96 | Very high | 92.7 | Very high | 39 Ų | 39 | 90.7 Ų | 90.7 | 18% | 0.182 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 151 | 177.8 | 64.4 | -176.5 | -119.8 | 0 | 0 | 110.1 | G63 R65 R84 I85 H100 | G63-E75 PolarHBondContact O-N 2.94Å; R65-E75 IonicContact CZ-OE2 3.95Å; R65-E75 IonicContact NE-OE2 3.51Å; R65-E75 PolarHBondContact NE-OE2 3.26Å; R65-E75 VanDerWaalsContact NE-OE2 3.13Å; R65-E75 IonicContact NH2-OE2 2.88Å; R65-E75 PolarHBondContact NH2-OE2 3.16Å; E75-R84 IonicContact OE1-NH1 2.78Å; E75-R84 PolarHBondContact OE1-NH1 2.86Å; E75-I85 WeakPolarHBondContact CA-O 3.15Å; E75-H100 PolarHBondContact O-CD2 3.19Å |
| 76 | I | 95.2 | Very high | 92.8 | Very high | 13 Ų | 13 | 92 Ų | 92 | 7% | 0.067 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.7 | 178.3 | -169 | 156.7 | 0 | 0 | 0 | 112.1 | I85 L87 A103 A104 I107 | I76-I85 HydrophobicContact CG2-CB 3.92Å; I76-I85 PolarHBondContact N-O 2.83Å; I76-I85 PolarHBondContact O-N 3.36Å; I76-L87 HydrophobicContact CB-CD1 4.36Å; I76-L87 HydrophobicContact CG2-CD1 4.34Å; I76-L87 HydrophobicContact CG2-CD2 4.04Å; I76-L87 HydrophobicContact CG2-CG 4.35Å; I76-A103 HydrophobicContact CD1-CB 4.14Å; I76-A103 HydrophobicContact CG2-CB 4.18Å; I76-A104 HydrophobicContact CD1-CB 4.04Å; I76-I107 HydrophobicContact CB-CD1 4.37Å; I76-I107 HydrophobicContact CD1-CD1 3.87Å; I76-I107 HydrophobicContact CG1-CD1 4.03Å; I76-I107 HydrophobicContact CG2-CD1 3.46Å; I76-I107 VanDerWaalsContact CG2-CD1 3.46Å |
| 77 | R | 93.7 | Very high | 92.9 | Very high | 162 Ų | 162 | 88.1 Ų | 88.1 | 61% | 0.611 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.1 | 174.3 | -61.7 | -176.1 | -179.8 | 162.3 | 2.1 | 109.1 | R84 | R77-R84 HydrophobicContact CG-CG 4.23Å |
| 78 | E | 88.4 | Confident | 93 | Very high | 19 Ų | 19 | 82.1 Ų | 82.1 | 9% | 0.089 | 39% | 0.39 | C | S | . | . | trans | -83.9 | 138.4 | 174.3 | -54.2 | -171.8 | -140.1 | 0 | 0 | 110 | R80 K81 I85 I107 | E78-R80 VanDerWaalsContact C-N 3.26Å; E78-R80 PolarHBondContact O-N 2.86Å; E78-K81 HydrophobicContact CB-CB 4.12Å; E78-K81 HydrophobicContact CB-CG 4.28Å; E78-K81 PolarHBondContact O-N 2.77Å; E78-K81 WeakPolarHBondContact OE1-CD 3.37Å; E78-K81 IonicContact OE1-NZ 2.96Å; E78-K81 PolarHBondContact OE1-NZ 2.58Å; E78-K81 VanDerWaalsContact OE2-CD 3.3Å; E78-K81 WeakPolarHBondContact OE2-CD 3.45Å; E78-K81 WeakPolarHBondContact OE2-CE 3.28Å; E78-K81 IonicContact OE2-NZ 3.13Å; E78-K81 PolarHBondContact OE2-NZ 2.95Å; E78-I85 HydrophobicContact CG-CD1 4.4Å; E78-I85 WeakPolarHBondContact OE1-CD1 3.46Å; E78-I107 HydrophobicContact CB-CG2 4.04Å; E78-I107 HydrophobicContact CG-CD1 3.89Å; E78-I107 HydrophobicContact CG-CG1 4.12Å; E78-I107 HydrophobicContact CG-CG2 3.65Å | ||
| 79 | P | 87.7 | Confident | 93.2 | Very high | 107 Ų | 107 | 80.2 Ų | 80.2 | 70% | 0.695 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -24.4 | -179.3 | 27 | -34.4 | 0 | 0 | 0 | 113.4 | ||
| 80 | R | 88.2 | Confident | 93.5 | Very high | 244 Ų | 244 | 71.7 Ų | 71.7 | 92% | 0.921 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -16.7 | -178.4 | -69.6 | -176.5 | 174.8 | 138.1 | -3.2 | 113.6 | E78 | E78-R80 VanDerWaalsContact C-N 3.26Å; E78-R80 PolarHBondContact O-N 2.86Å |
| 81 | K | 89.3 | Confident | 93.5 | Very high | 91 Ų | 91 | 74.2 Ų | 74.2 | 40% | 0.396 | 34% | 0.339 | S | S | . | . | trans | -116.2 | 147.3 | -175 | -54.9 | -173.5 | -169.5 | 147.1 | 0 | 109.9 | E78 S83 | E78-K81 HydrophobicContact CB-CB 4.12Å; E78-K81 HydrophobicContact CB-CG 4.28Å; E78-K81 PolarHBondContact O-N 2.77Å; E78-K81 WeakPolarHBondContact OE1-CD 3.37Å; E78-K81 IonicContact OE1-NZ 2.96Å; E78-K81 PolarHBondContact OE1-NZ 2.58Å; E78-K81 VanDerWaalsContact OE2-CD 3.3Å; E78-K81 WeakPolarHBondContact OE2-CD 3.45Å; E78-K81 WeakPolarHBondContact OE2-CE 3.28Å; E78-K81 IonicContact OE2-NZ 3.13Å; E78-K81 PolarHBondContact OE2-NZ 2.95Å; K81-S83 VanDerWaalsContact C-N 3.25Å | ||
| 82 | K | 91.3 | Very high | 93.5 | Very high | 221 Ų | 221 | 72 Ų | 72 | 96% | 0.961 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -79.6 | -12 | 170.4 | -167.2 | 169.2 | 179 | 179.1 | 0 | 112.3 | ||
| 83 | S | 92.1 | Very high | 93.5 | Very high | 63 Ų | 63 | 71.8 Ų | 71.8 | 44% | 0.441 | 33% | 0.332 | S | S | . | . | trans | -79 | 153.9 | -180 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | K81 | K81-S83 VanDerWaalsContact C-N 3.25Š| ||
| 84 | R | 94.1 | Very high | 93.5 | Very high | 155 Ų | 155 | 74.6 Ų | 74.6 | 59% | 0.585 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.9 | 170.9 | -52.8 | -173.1 | -174.4 | 176.4 | 10.9 | 108.6 | E75 R77 | E75-R84 IonicContact OE1-NH1 2.78Å; E75-R84 PolarHBondContact OE1-NH1 2.86Å; R77-R84 HydrophobicContact CG-CG 4.23Å |
| 85 | I | 94.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 76.3 Ų | 76.3 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.1 | 172.2 | -59.4 | 167.4 | 0 | 0 | 0 | 107.3 | E75 I76 E78 L87 I107 P131 Q135 | E75-I85 WeakPolarHBondContact CA-O 3.15Å; I76-I85 HydrophobicContact CG2-CB 3.92Å; I76-I85 PolarHBondContact N-O 2.83Å; I76-I85 PolarHBondContact O-N 3.36Å; E78-I85 HydrophobicContact CG-CD1 4.4Å; E78-I85 WeakPolarHBondContact OE1-CD1 3.46Å; I85-L87 HydrophobicContact CG2-CD2 3.98Å; I85-I107 HydrophobicContact CD1-CD1 3.99Å; I85-P131 HydrophobicContact CD1-CB 4.27Å; I85-P131 HydrophobicContact CD1-CG 4.17Å; I85-P131 HydrophobicContact CG1-CB 4.19Å; I85-P131 HydrophobicContact CG1-CG 4.22Å; I85-P131 HydrophobicContact CG2-CB 4.18Å; I85-Q135 HydrophobicContact CG2-CG 4.35Å |
| 86 | W | 95.3 | Very high | 93.4 | Very high | 119 Ų | 119 | 74.4 Ų | 74.4 | 45% | 0.451 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 119.3 | 169.3 | 175.3 | 55.5 | 0 | 0 | 0 | 108.3 | G88 T89 Q135 M180 | W86-G88 PolarHBondContact NE1-O 3.01Å; W86-T89 HydrophobicContact CZ2-CG2 4.05Å; W86-Q135 WeakPolarHBondContact O-CG 3.37Å; W86-Q135 PolarHBondContact O-NE2 2.83Å; W86-M180 HydrophobicContact CZ3-CE 4.44Å |
| 87 | L | 96.7 | Very high | 93.4 | Very high | 13 Ų | 13 | 73.8 Ų | 73.8 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -38.4 | -175.8 | -58.4 | 175 | 0 | 0 | 0 | 111.2 | S74 I76 I85 H100 A103 V134 A138 | S74-L87 WeakPolarHBondContact O-CB 3.39Å; S74-L87 PolarHBondContact O-N 2.86Å; I76-L87 HydrophobicContact CB-CD1 4.36Å; I76-L87 HydrophobicContact CG2-CD1 4.34Å; I76-L87 HydrophobicContact CG2-CD2 4.04Å; I76-L87 HydrophobicContact CG2-CG 4.35Å; I85-L87 HydrophobicContact CG2-CD2 3.98Å; L87-H100 HydrophobicContact CD1-CB 4.42Å; L87-A103 HydrophobicContact CD1-CB 3.5Å; L87-A103 VanDerWaalsContact CD1-CB 3.5Å; L87-A103 HydrophobicContact CD2-CB 3.55Å; L87-A103 HydrophobicContact CG-CB 4.18Å; L87-V134 HydrophobicContact CD2-CG1 3.68Å; L87-A138 HydrophobicContact CB-CB 4.25Å; L87-A138 HydrophobicContact CD2-CB 4.25Å |
| 88 | G | 96.1 | Very high | 93.5 | Very high | 11 Ų | 11 | 67.3 Ų | 67.3 | 11% | 0.113 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.8 | -179.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S74 W86 | S74-G88 PolarHBondContact N-O 2.96Å; S74-G88 PolarHBondContact O-N 3.09Å; W86-G88 PolarHBondContact NE1-O 3.01Å |
| 89 | T | 96.3 | Very high | 93.9 | Very high | 75 Ų | 75 | 66.4 Ų | 66.4 | 46% | 0.46 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 137.3 | 169.7 | 52.4 | 0 | 0 | 0 | 0 | 109.3 | W72 V73 W86 | W72-T89 CarbonylContact O-C 3.48Å; W72-T89 VanDerWaalsContact O-CA 3.26Å; W72-T89 WeakPolarHBondContact O-CA 3.28Å; V73-T89 HydrophobicContact CB-CG2 4.48Å; V73-T89 HydrophobicContact CG1-CG2 4.21Å; V73-T89 HydrophobicContact CG2-CG2 4.01Å; W86-T89 HydrophobicContact CZ2-CG2 4.05Å |
| 90 | F | 95.3 | Very high | 94.3 | Very high | 24 Ų | 24 | 62.1 Ų | 62.1 | 11% | 0.105 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 155.5 | -171.5 | -53.8 | -78.8 | 0 | 0 | 0 | 110.6 | W72 M95 A96 A99 A142 | W72-F90 WeakPolarHBondContact CA-O 3.23Å; W72-F90 VanDerWaalsContact CB-O 3.31Å; W72-F90 WeakPolarHBondContact CB-O 3.31Å; W72-F90 PolarHBondContact N-O 3.01Å; W72-F90 PolarHBondContact O-N 3.3Å; F90-M95 HydrophobicContact CB-CB 4.03Å; F90-M95 HydrophobicContact CB-CG 4.06Å; F90-M95 HydrophobicContact CB-SD 4.09Å; F90-M95 HydrophobicContact CD1-CB 4.36Å; F90-M95 HydrophobicContact CD1-CG 3.52Å; F90-M95 HydrophobicContact CD1-SD 3.55Å; F90-M95 VanDerWaalsContact CD1-SD 3.55Å; F90-M95 HydrophobicContact CE1-CG 4.2Å; F90-M95 HydrophobicContact CE1-SD 4.43Å; F90-M95 HydrophobicContact CG-CB 4.31Å; F90-M95 HydrophobicContact CG-CG 3.95Å; F90-M95 HydrophobicContact CG-SD 4.22Å; F90-A96 HydrophobicContact CB-CB 4.15Å; F90-A96 HydrophobicContact CD2-CB 3.61Å; F90-A96 HydrophobicContact CE2-CB 4.45Å; F90-A96 HydrophobicContact CG-CB 4.21Å; F90-A99 HydrophobicContact CE1-CB 4.34Å; F90-A99 HydrophobicContact CE2-CB 3.57Å; F90-A99 HydrophobicContact CZ-CB 3.44Å; F90-A99 VanDerWaalsContact CZ-CB 3.44Å; F90-A142 HydrophobicContact CD1-CB 3.99Å; F90-A142 HydrophobicContact CE1-CB 3.4Å; F90-A142 HydrophobicContact CZ-CB 4.04Å |
| 91 | D | 93.5 | Very high | 94.7 | Very high | 97 Ų | 97 | 50.5 Ų | 50.5 | 52% | 0.519 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -83.4 | -26.7 | 178.7 | -63.8 | -31.7 | 0 | 0 | 0 | 112.4 | K71 W72 | K71-D91 WeakPolarHBondContact CD-OD1 3.47Å; K71-D91 WeakPolarHBondContact CE-OD1 3.5Å; K71-D91 IonicContact NZ-OD1 3.46Å; K71-D91 PolarHBondContact NZ-OD1 3.39Å; K71-D91 IonicContact NZ-OD2 2.58Å; W72-D91 PolarHBondContact NE1-O 3.35Å |
| 92 | N | 93.3 | Very high | 95 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 16% | 0.16 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -109.8 | 140.2 | 179.8 | -71.2 | 20.3 | 0 | 0 | 0 | 111.5 | E94 M95 A96 P148 | N92-E94 VanDerWaalsContact C-N 3.28Å; N92-E94 PolarHBondContact O-N 2.92Å; N92-M95 HydrophobicContact CB-CB 3.93Å; N92-M95 WeakPolarHBondContact O-CB 3.25Å; N92-M95 PolarHBondContact O-N 3.41Å; N92-A96 PolarHBondContact O-N 3.49Å; N92-A96 VanDerWaalsContact O-N 3.13Å; N92-P148 WeakPolarHBondContact ND2-CD 3.46Å; N92-P148 WeakPolarHBondContact OD1-CG 3.33Å |
| 93 | P | 94.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 35.7 Ų | 35.7 | 10% | 0.097 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.6 | -33.5 | 174.1 | 26.1 | -30.3 | 0 | 0 | 0 | 111.7 | P59 Y61 W72 M95 A96 A97 | P59-P93 HydrophobicContact CG-CG 4.3Å; Y61-P93 HydrophobicContact CD2-CB 3.83Å; Y61-P93 HydrophobicContact CE2-CB 3.79Å; Y61-P93 HydrophobicContact CE2-CG 4.26Å; W72-P93 HydrophobicContact CD2-CB 3.67Å; W72-P93 HydrophobicContact CD2-CG 4.4Å; W72-P93 HydrophobicContact CE3-CB 3.83Å; W72-P93 HydrophobicContact CG-CB 4.3Å; W72-P93 HydrophobicContact CH2-CB 3.9Å; W72-P93 HydrophobicContact CH2-CG 4.36Å; W72-P93 HydrophobicContact CZ2-CB 3.78Å; W72-P93 HydrophobicContact CZ2-CG 3.88Å; W72-P93 HydrophobicContact CZ3-CB 3.91Å; P93-M95 VanDerWaalsContact C-N 3.33Å; P93-M95 PolarHBondContact O-N 3.13Å; P93-A96 PolarHBondContact O-N 3.27Å; P93-A97 VanDerWaalsContact O-CB 3.28Å; P93-A97 WeakPolarHBondContact O-CB 3.46Å; P93-A97 PolarHBondContact O-N 3.31Å |
| 94 | E | 94.9 | Very high | 95.4 | Very high | 62 Ų | 62 | 33 Ų | 33 | 29% | 0.29 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -66 | -36.9 | 176.5 | -60.7 | 74 | -159 | 0 | 0 | 111.6 | Y61 N92 A97 R98 | Y61-E94 HydrophobicContact CE2-CG 4.38Å; Y61-E94 PolarHBondContact OH-OE1 3.2Å; N92-E94 VanDerWaalsContact C-N 3.28Å; N92-E94 PolarHBondContact O-N 2.92Å; E94-A97 PolarHBondContact O-N 2.9Å; E94-R98 PolarHBondContact O-N 2.74Å |
| 95 | M | 95.1 | Very high | 95.4 | Very high | 36 Ų | 36 | 27.6 Ų | 27.6 | 18% | 0.177 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.3 | -48.5 | 175.9 | -168 | 176.8 | -80.5 | 0 | 0 | 111.2 | F90 N92 P93 A97 R98 A99 A142 V145 | F90-M95 HydrophobicContact CB-CB 4.03Å; F90-M95 HydrophobicContact CB-CG 4.06Å; F90-M95 HydrophobicContact CB-SD 4.09Å; F90-M95 HydrophobicContact CD1-CB 4.36Å; F90-M95 HydrophobicContact CD1-CG 3.52Å; F90-M95 HydrophobicContact CD1-SD 3.55Å; F90-M95 VanDerWaalsContact CD1-SD 3.55Å; F90-M95 HydrophobicContact CE1-CG 4.2Å; F90-M95 HydrophobicContact CE1-SD 4.43Å; F90-M95 HydrophobicContact CG-CB 4.31Å; F90-M95 HydrophobicContact CG-CG 3.95Å; F90-M95 HydrophobicContact CG-SD 4.22Å; N92-M95 HydrophobicContact CB-CB 3.93Å; N92-M95 WeakPolarHBondContact O-CB 3.25Å; N92-M95 PolarHBondContact O-N 3.41Å; P93-M95 VanDerWaalsContact C-N 3.33Å; P93-M95 PolarHBondContact O-N 3.13Å; M95-A97 VanDerWaalsContact C-N 3.26Å; M95-A97 PolarHBondContact O-N 3.07Å; M95-R98 PolarHBondContact O-N 3.46Å; M95-A99 PolarHBondContact O-N 3.03Å; M95-A142 HydrophobicContact CG-CB 3.43Å; M95-A142 VanDerWaalsContact CG-CB 3.43Å; M95-A142 HydrophobicContact SD-CB 4.24Å; M95-V145 HydrophobicContact CB-CG2 3.64Å; M95-V145 HydrophobicContact CE-CB 4.2Å; M95-V145 HydrophobicContact CE-CG2 4.25Å; M95-V145 HydrophobicContact CG-CG2 3.87Å |
| 96 | A | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.2 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V64 W72 S74 F90 N92 P93 H100 | V64-A96 HydrophobicContact CB-CB 4.35Å; V64-A96 HydrophobicContact CG1-CB 3.73Å; V64-A96 HydrophobicContact CG2-CB 3.7Å; W72-A96 HydrophobicContact CB-CB 3.93Å; S74-A96 WeakPolarHBondContact CB-O 3.49Å; S74-A96 PolarHBondContact OG-O 3.27Å; F90-A96 HydrophobicContact CB-CB 4.15Å; F90-A96 HydrophobicContact CD2-CB 3.61Å; F90-A96 HydrophobicContact CE2-CB 4.45Å; F90-A96 HydrophobicContact CG-CB 4.21Å; N92-A96 PolarHBondContact O-N 3.49Å; N92-A96 VanDerWaalsContact O-N 3.13Å; P93-A96 PolarHBondContact O-N 3.27Å; A96-H100 PolarHBondContact O-N 3.07Å |
| 97 | A | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -69.7 | -38.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y61 V64 P93 E94 M95 H100 D101 N115 F116 | Y61-A97 HydrophobicContact CD1-CB 3.9Å; Y61-A97 HydrophobicContact CD2-CB 4.02Å; Y61-A97 HydrophobicContact CG-CB 3.59Å; V64-A97 HydrophobicContact CG2-CB 4Å; P93-A97 VanDerWaalsContact O-CB 3.28Å; P93-A97 WeakPolarHBondContact O-CB 3.46Å; P93-A97 PolarHBondContact O-N 3.31Å; E94-A97 PolarHBondContact O-N 2.9Å; M95-A97 VanDerWaalsContact C-N 3.26Å; M95-A97 PolarHBondContact O-N 3.07Å; A97-H100 WeakPolarHBondContact O-CB 3.48Å; A97-H100 PolarHBondContact O-N 3.22Å; A97-D101 PolarHBondContact O-N 2.99Å; A97-N115 HydrophobicContact CB-CB 4.37Å; A97-F116 HydrophobicContact CB-CE2 3.61Å; A97-F116 HydrophobicContact CB-CZ 4.19Å |
| 98 | R | 95.4 | Very high | 95.2 | Very high | 26 Ų | 26 | 29.7 Ų | 29.7 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -73.5 | -35.5 | 176.2 | -72.5 | -173.7 | -65 | 153.2 | 82.6 | 113.3 | E94 M95 H100 D101 A102 F116 A141 T144 V145 | E94-R98 PolarHBondContact O-N 2.74Å; M95-R98 PolarHBondContact O-N 3.46Å; R98-H100 VanDerWaalsContact C-N 3.26Å; R98-H100 PolarHBondContact O-N 3.23Å; R98-D101 PolarHBondContact O-N 3.35Å; R98-A102 PolarHBondContact O-N 3.25Å; R98-A102 VanDerWaalsContact O-N 3.11Å; R98-F116 HydrophobicContact CG-CD2 3.47Å; R98-F116 VanDerWaalsContact CG-CD2 3.47Å; R98-F116 HydrophobicContact CG-CE2 3.51Å; R98-F116 HydrophobicContact CG-CG 4.47Å; R98-A141 PolarHBondContact NH2-O 3.08Å; R98-T144 PolarHBondContact NH1-O 2.73Å; R98-T144 PolarHBondContact NH2-O 3.34Å; R98-T144 PolarHBondContact NH2-OG1 2.96Å; R98-V145 VanDerWaalsContact CZ-CA 3.4Å; R98-V145 VanDerWaalsContact NE-CG2 3.27Å |
| 99 | A | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.3 | -43.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F90 M95 A103 A138 A142 | F90-A99 HydrophobicContact CE1-CB 4.34Å; F90-A99 HydrophobicContact CE2-CB 3.57Å; F90-A99 HydrophobicContact CZ-CB 3.44Å; F90-A99 VanDerWaalsContact CZ-CB 3.44Å; M95-A99 PolarHBondContact O-N 3.03Å; A99-A103 PolarHBondContact O-N 3.19Å; A99-A138 HydrophobicContact CB-CB 4Å; A99-A138 WeakPolarHBondContact O-CB 3.26Å; A99-A142 HydrophobicContact CB-CB 4.33Å |
| 100 | H | 96.9 | Very high | 94.6 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 7% | 0.074 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | 177 | -175.6 | -91.9 | 0 | 0 | 0 | 112.6 | R62 S74 E75 L87 A96 A97 R98 A103 A104 | R62-H100 PolarHBondContact O-ND1 2.88Å; S74-H100 WeakPolarHBondContact OG-CB 3.44Å; E75-H100 PolarHBondContact O-CD2 3.19Å; L87-H100 HydrophobicContact CD1-CB 4.42Å; A96-H100 PolarHBondContact O-N 3.07Å; A97-H100 WeakPolarHBondContact O-CB 3.48Å; A97-H100 PolarHBondContact O-N 3.22Å; R98-H100 VanDerWaalsContact C-N 3.26Å; R98-H100 PolarHBondContact O-N 3.23Å; H100-A103 PolarHBondContact O-N 3.35Å; H100-A104 WeakPolarHBondContact O-CB 3.41Å; H100-A104 PolarHBondContact O-N 3.09Å |
| 101 | D | 96.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.8 | -43.8 | -180 | -73.6 | -6.6 | 0 | 0 | 0 | 111.9 | A97 R98 A103 A104 V105 L114 N115 F116 L123 | A97-D101 PolarHBondContact O-N 2.99Å; R98-D101 PolarHBondContact O-N 3.35Å; D101-A103 VanDerWaalsContact C-N 3.32Å; D101-A103 PolarHBondContact O-N 3.35Å; D101-A104 PolarHBondContact O-N 3.13Å; D101-V105 WeakPolarHBondContact O-CG2 3.43Å; D101-V105 PolarHBondContact O-N 3.42Å; D101-L114 HydrophobicContact CB-CB 4.39Å; D101-L114 HydrophobicContact CB-CD2 4.07Å; D101-N115 VanDerWaalsContact CG-N 3.28Å; D101-N115 PolarHBondContact OD1-N 2.85Å; D101-N115 PolarHBondContact OD1-ND2 3.11Å; D101-N115 WeakPolarHBondContact OD2-CB 3.35Å; D101-N115 PolarHBondContact OD2-N 3.19Å; D101-F116 WeakPolarHBondContact OD2-CD2 3.41Å; D101-F116 PolarHBondContact OD2-N 2.94Å; D101-L123 HydrophobicContact CB-CD1 3.75Å |
| 102 | A | 95.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60 | -42.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | R98 V105 A106 P124 A141 | R98-A102 PolarHBondContact O-N 3.25Å; R98-A102 VanDerWaalsContact O-N 3.11Å; A102-V105 PolarHBondContact O-N 3.38Å; A102-A106 PolarHBondContact O-N 3.2Å; A102-P124 HydrophobicContact CB-CG 4.49Å; A102-A141 HydrophobicContact CB-CB 3.61Å |
| 103 | A | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.2 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | I76 L87 A99 H100 D101 V105 A106 I107 V134 | I76-A103 HydrophobicContact CD1-CB 4.14Å; I76-A103 HydrophobicContact CG2-CB 4.18Å; L87-A103 HydrophobicContact CD1-CB 3.5Å; L87-A103 VanDerWaalsContact CD1-CB 3.5Å; L87-A103 HydrophobicContact CD2-CB 3.55Å; L87-A103 HydrophobicContact CG-CB 4.18Å; A99-A103 PolarHBondContact O-N 3.19Å; H100-A103 PolarHBondContact O-N 3.35Å; D101-A103 VanDerWaalsContact C-N 3.32Å; D101-A103 PolarHBondContact O-N 3.35Å; A103-V105 VanDerWaalsContact C-N 3.35Å; A103-A106 PolarHBondContact O-N 3.04Å; A103-I107 PolarHBondContact O-N 3.26Å; A103-V134 HydrophobicContact CB-CG1 3.54Å |
| 104 | A | 95.4 | Very high | 94.2 | Very high | 7 Ų | 7 | 43.8 Ų | 43.8 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I76 H100 D101 A106 I107 K108 A112 L114 | I76-A104 HydrophobicContact CD1-CB 4.04Å; H100-A104 WeakPolarHBondContact O-CB 3.41Å; H100-A104 PolarHBondContact O-N 3.09Å; D101-A104 PolarHBondContact O-N 3.13Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A104-I107 PolarHBondContact O-N 3.06Å; A104-K108 VanDerWaalsContact O-CB 3.24Å; A104-K108 WeakPolarHBondContact O-CB 3.45Å; A104-K108 PolarHBondContact O-N 3.3Å; A104-A112 HydrophobicContact CB-CB 4.17Å; A104-A112 WeakPolarHBondContact O-CB 3.31Å; A104-L114 HydrophobicContact CB-CD2 3.99Å |
| 105 | V | 94.6 | Very high | 94.2 | Very high | 41 Ų | 41 | 42.3 Ų | 42.3 | 25% | 0.248 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 173.6 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | D101 A102 A103 I107 G109 A112 L114 L123 | D101-V105 WeakPolarHBondContact O-CG2 3.43Å; D101-V105 PolarHBondContact O-N 3.42Å; A102-V105 PolarHBondContact O-N 3.38Å; A103-V105 VanDerWaalsContact C-N 3.35Å; V105-I107 PolarHBondContact O-N 3.41Å; V105-G109 WeakPolarHBondContact O-CA 3.15Å; V105-G109 PolarHBondContact O-N 2.64Å; V105-A112 HydrophobicContact CG2-CB 4.44Å; V105-L114 HydrophobicContact CG2-CD1 3.99Å; V105-L114 HydrophobicContact CG2-CD2 3.77Å; V105-L123 HydrophobicContact CG2-CD1 4.22Å |
| 106 | A | 94.2 | Very high | 94.2 | Very high | 28 Ų | 28 | 42.9 Ų | 42.9 | 23% | 0.231 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.4 | -40.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A102 A103 A104 A126 V134 | A102-A106 PolarHBondContact O-N 3.2Å; A103-A106 PolarHBondContact O-N 3.04Å; A104-A106 VanDerWaalsContact C-N 3.34Å; A106-A126 HydrophobicContact CB-CB 3.69Å; A106-V134 HydrophobicContact CB-CG2 3.93Å |
| 107 | I | 93.6 | Very high | 94 | Very high | 34 Ų | 34 | 47 Ų | 47 | 17% | 0.174 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -88.8 | -43.7 | -174.2 | -71.8 | 158.2 | 0 | 0 | 0 | 112.5 | I76 E78 I85 A103 A104 V105 V134 | I76-I107 HydrophobicContact CB-CD1 4.37Å; I76-I107 HydrophobicContact CD1-CD1 3.87Å; I76-I107 HydrophobicContact CG1-CD1 4.03Å; I76-I107 HydrophobicContact CG2-CD1 3.46Å; I76-I107 VanDerWaalsContact CG2-CD1 3.46Å; E78-I107 HydrophobicContact CB-CG2 4.04Å; E78-I107 HydrophobicContact CG-CD1 3.89Å; E78-I107 HydrophobicContact CG-CG1 4.12Å; E78-I107 HydrophobicContact CG-CG2 3.65Å; I85-I107 HydrophobicContact CD1-CD1 3.99Å; A103-I107 PolarHBondContact O-N 3.26Å; A104-I107 PolarHBondContact O-N 3.06Å; V105-I107 PolarHBondContact O-N 3.41Å; I107-V134 HydrophobicContact CD1-CG1 4.35Å; I107-V134 HydrophobicContact CG1-CG2 4.47Å |
| 108 | K | 93.4 | Very high | 93.9 | Very high | 120 Ų | 120 | 53.9 Ų | 53.9 | 52% | 0.522 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -95.4 | -17.6 | -173.6 | -172.3 | 64.8 | 167.9 | -177.7 | 0 | 112.2 | A104 A111 A112 | A104-K108 VanDerWaalsContact O-CB 3.24Å; A104-K108 WeakPolarHBondContact O-CB 3.45Å; A104-K108 PolarHBondContact O-N 3.3Å; K108-A111 HydrophobicContact CD-CB 4.43Å; K108-A111 VanDerWaalsContact CG-C 3.46Å; K108-A111 HydrophobicContact CG-CB 4.16Å; K108-A111 VanDerWaalsContact CG-O 3.31Å; K108-A111 WeakPolarHBondContact CG-O 3.41Å; K108-A112 HydrophobicContact CB-CB 4.02Å; K108-A112 HydrophobicContact CG-CB 4.3Å |
| 109 | G | 91.1 | Very high | 93.6 | Very high | 32 Ų | 32 | 55.5 Ų | 55.5 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | 68.9 | -142.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V105 A111 A112 | V105-G109 WeakPolarHBondContact O-CA 3.15Å; V105-G109 PolarHBondContact O-N 2.64Å; G109-A111 PolarHBondContact O-N 2.94Å; G109-A111 VanDerWaalsContact O-N 3.14Å; G109-A112 VanDerWaalsContact O-CB 3.23Å; G109-A112 WeakPolarHBondContact O-CB 3.35Å; G109-A112 PolarHBondContact O-N 3.25Å; G109-A112 VanDerWaalsContact O-N 3.08Å |
| 110 | R | 88.6 | Confident | 93.3 | Very high | 263 Ų | 263 | 57.2 Ų | 57.2 | 99% | 0.992 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -63.1 | -19 | -178.6 | -64.8 | -177.1 | -179.1 | -169.6 | -0.1 | 114.4 | A112 | R110-A112 PolarHBondContact O-N 3.27Š|
| 111 | A | 89.7 | Confident | 92.9 | Very high | 58 Ų | 58 | 64.9 Ų | 64.9 | 48% | 0.479 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -87.2 | 12 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K108 G109 H113 | K108-A111 HydrophobicContact CD-CB 4.43Å; K108-A111 VanDerWaalsContact CG-C 3.46Å; K108-A111 HydrophobicContact CG-CB 4.16Å; K108-A111 VanDerWaalsContact CG-O 3.31Å; K108-A111 WeakPolarHBondContact CG-O 3.41Å; G109-A111 PolarHBondContact O-N 2.94Å; G109-A111 VanDerWaalsContact O-N 3.14Å; A111-H113 PolarHBondContact O-N 3.42Å |
| 112 | A | 92.5 | Very high | 92.7 | Very high | 19 Ų | 19 | 70.7 Ų | 70.7 | 16% | 0.157 | 37% | 0.373 | C | S | . | . | trans | -70.4 | 124.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | A104 V105 K108 G109 R110 L114 | A104-A112 HydrophobicContact CB-CB 4.17Å; A104-A112 WeakPolarHBondContact O-CB 3.31Å; V105-A112 HydrophobicContact CG2-CB 4.44Å; K108-A112 HydrophobicContact CB-CB 4.02Å; K108-A112 HydrophobicContact CG-CB 4.3Å; G109-A112 VanDerWaalsContact O-CB 3.23Å; G109-A112 WeakPolarHBondContact O-CB 3.35Å; G109-A112 PolarHBondContact O-N 3.25Å; G109-A112 VanDerWaalsContact O-N 3.08Å; R110-A112 PolarHBondContact O-N 3.27Å; A112-L114 HydrophobicContact CB-CD2 3.76Å | ||
| 113 | H | 92.7 | Very high | 92.4 | Very high | 143 Ų | 143 | 71.9 Ų | 71.9 | 66% | 0.662 | 38% | 0.379 | S | S | * | . | trans | -82.7 | 126.9 | 163.8 | -57.6 | 167.6 | 0 | 0 | 0 | 106.9 | R62 A111 | R62-H113 VanDerWaalsContact NH1-C 3.33Å; R62-H113 PolarHBondContact NH1-O 3.05Å; A111-H113 PolarHBondContact O-N 3.42Å | ||
| 114 | L | 94.6 | Very high | 92.1 | Very high | 33 Ų | 33 | 73.4 Ų | 73.4 | 17% | 0.173 | 39% | 0.389 | C | S | . | . | trans | -110.3 | 160.6 | -176.4 | -52.9 | -176.7 | 0 | 0 | 0 | 110.5 | D101 A104 V105 A112 A120 L123 | D101-L114 HydrophobicContact CB-CB 4.39Å; D101-L114 HydrophobicContact CB-CD2 4.07Å; A104-L114 HydrophobicContact CB-CD2 3.99Å; V105-L114 HydrophobicContact CG2-CD1 3.99Å; V105-L114 HydrophobicContact CG2-CD2 3.77Å; A112-L114 HydrophobicContact CB-CD2 3.76Å; L114-A120 HydrophobicContact CD1-CB 3.56Å; L114-L123 HydrophobicContact CD1-CD1 4.19Å | ||
| 115 | N | 94.9 | Very high | 91.9 | Very high | 31 Ų | 31 | 83.7 Ų | 83.7 | 17% | 0.166 | 43% | 0.427 | C | S | . | . | S | Bend | trans | -77.4 | -38.3 | 169.9 | -64.1 | -68 | 0 | 0 | 0 | 110.8 | Y61 R62 A97 D101 P117 | Y61-N115 HydrophobicContact CD1-CB 4.24Å; R62-N115 VanDerWaalsContact CB-OD1 3.25Å; R62-N115 WeakPolarHBondContact CB-OD1 3.43Å; R62-N115 WeakPolarHBondContact CG-OD1 3.32Å; R62-N115 PolarHBondContact N-OD1 2.99Å; R62-N115 PolarHBondContact O-ND2 3.09Å; A97-N115 HydrophobicContact CB-CB 4.37Å; D101-N115 VanDerWaalsContact CG-N 3.28Å; D101-N115 PolarHBondContact OD1-N 2.85Å; D101-N115 PolarHBondContact OD1-ND2 3.11Å; D101-N115 WeakPolarHBondContact OD2-CB 3.35Å; D101-N115 PolarHBondContact OD2-N 3.19Å; N115-P117 WeakPolarHBondContact O-CD 3.45Å |
| 116 | F | 93.8 | Very high | 91.8 | Very high | 47 Ų | 47 | 82.6 Ų | 82.6 | 21% | 0.206 | 42% | 0.421 | C | S | . | . | trans | -116.7 | 84.8 | 179.2 | -53 | -77.4 | 0 | 0 | 0 | 110.5 | Y61 A97 R98 D101 D118 L119 | Y61-F116 HydrophobicContact CD1-CZ 4.28Å; Y61-F116 HydrophobicContact CE1-CE1 4.18Å; Y61-F116 AromaticContact CE1-CZ 3.75Å; Y61-F116 HydrophobicContact CE1-CZ 3.75Å; A97-F116 HydrophobicContact CB-CE2 3.61Å; A97-F116 HydrophobicContact CB-CZ 4.19Å; R98-F116 HydrophobicContact CG-CD2 3.47Å; R98-F116 VanDerWaalsContact CG-CD2 3.47Å; R98-F116 HydrophobicContact CG-CE2 3.51Å; R98-F116 HydrophobicContact CG-CG 4.47Å; D101-F116 WeakPolarHBondContact OD2-CD2 3.41Å; D101-F116 PolarHBondContact OD2-N 2.94Å; F116-D118 PolarHBondContact O-N 3.46Å; F116-L119 HydrophobicContact CB-CB 4.14Å; F116-L119 HydrophobicContact CB-CD1 4.01Å; F116-L119 HydrophobicContact CB-CG 4.2Å; F116-L119 HydrophobicContact CG-CD1 4.3Å; F116-L119 PolarHBondContact O-N 3.31Å | ||
| 117 | P | 92.7 | Very high | 91.7 | Very high | 87 Ų | 87 | 85.9 Ų | 85.9 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | G | 310 helix | trans | -62.2 | -30.7 | 179 | 26.1 | -34 | 0 | 0 | 0 | 112.4 | N115 L119 A120 | N115-P117 WeakPolarHBondContact O-CD 3.45Å; P117-L119 VanDerWaalsContact C-N 3.26Å; P117-L119 PolarHBondContact O-N 3.37Å; P117-A120 VanDerWaalsContact O-CB 3.23Å; P117-A120 WeakPolarHBondContact O-CB 3.23Å; P117-A120 PolarHBondContact O-N 3.24Å |
| 118 | D | 93 | Very high | 91.7 | Very high | 145 Ų | 145 | 86.7 Ų | 86.7 | 78% | 0.775 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -65.8 | -30.5 | -179.4 | -52.5 | -40.8 | 0 | 0 | 0 | 112.5 | F116 | F116-D118 PolarHBondContact O-N 3.46Š|
| 119 | L | 90.2 | Very high | 91.6 | Very high | 60 Ų | 60 | 83.1 Ų | 83.1 | 31% | 0.314 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -92.8 | 3.2 | -179.1 | -60.8 | 177.2 | 0 | 0 | 0 | 112.8 | F116 P117 H121 D122 L123 | F116-L119 HydrophobicContact CB-CB 4.14Å; F116-L119 HydrophobicContact CB-CD1 4.01Å; F116-L119 HydrophobicContact CB-CG 4.2Å; F116-L119 HydrophobicContact CG-CD1 4.3Å; F116-L119 PolarHBondContact O-N 3.31Å; P117-L119 VanDerWaalsContact C-N 3.26Å; P117-L119 PolarHBondContact O-N 3.37Å; L119-H121 PolarHBondContact O-N 3.48Å; L119-H121 VanDerWaalsContact O-N 3.09Å; L119-D122 PolarHBondContact O-N 3.15Å; L119-L123 WeakPolarHBondContact O-CG 3.49Å; L119-L123 PolarHBondContact O-N 2.73Å |
| 120 | A | 89.5 | Confident | 91.8 | Very high | 36 Ų | 36 | 83.5 Ų | 83.5 | 30% | 0.298 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -30.4 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L114 P117 | L114-A120 HydrophobicContact CD1-CB 3.56Å; P117-A120 VanDerWaalsContact O-CB 3.23Å; P117-A120 WeakPolarHBondContact O-CB 3.23Å; P117-A120 PolarHBondContact O-N 3.24Å |
| 121 | H | 89.1 | Confident | 92 | Very high | 177 Ų | 177 | 74 Ų | 74 | 82% | 0.819 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -24 | 179.7 | -63.8 | -69.4 | 0 | 0 | 0 | 113.4 | L119 | L119-H121 PolarHBondContact O-N 3.48Å; L119-H121 VanDerWaalsContact O-N 3.09Å |
| 122 | D | 90.8 | Very high | 92.4 | Very high | 123 Ų | 123 | 79.2 Ų | 79.2 | 66% | 0.658 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -6.9 | -176.5 | -59.3 | -28.7 | 0 | 0 | 0 | 112.7 | L119 | L119-D122 PolarHBondContact O-N 3.15Š|
| 123 | L | 89.6 | Confident | 92.5 | Very high | 25 Ų | 25 | 81 Ų | 81 | 13% | 0.131 | 44% | 0.441 | C | S | . | . | S | Bend | trans | -69.8 | 137 | -179.5 | -68.4 | 172.5 | 0 | 0 | 0 | 111.4 | D101 V105 L114 L119 R125 A141 | D101-L123 HydrophobicContact CB-CD1 3.75Å; V105-L123 HydrophobicContact CG2-CD1 4.22Å; L114-L123 HydrophobicContact CD1-CD1 4.19Å; L119-L123 WeakPolarHBondContact O-CG 3.49Å; L119-L123 PolarHBondContact O-N 2.73Å; L123-R125 PolarHBondContact O-N 3.3Å; L123-A141 HydrophobicContact CD2-CB 4.09Å |
| 124 | P | 91 | Very high | 92.7 | Very high | 33 Ų | 33 | 74.1 Ų | 74.1 | 21% | 0.214 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 128.4 | 174.2 | 27.4 | -34.9 | 0 | 0 | 0 | 110 | A102 A137 L140 A141 | A102-P124 HydrophobicContact CB-CG 4.49Å; P124-A137 HydrophobicContact CG-CB 4.47Å; P124-A137 WeakPolarHBondContact CG-O 3.39Å; P124-L140 HydrophobicContact CB-CB 4.18Å; P124-L140 HydrophobicContact CB-CD1 4.47Å; P124-L140 HydrophobicContact CG-CB 3.89Å; P124-A141 HydrophobicContact CG-CB 3.81Å |
| 125 | R | 90.7 | Very high | 92.8 | Very high | 223 Ų | 223 | 75.8 Ų | 75.8 | 84% | 0.842 | 42% | 0.417 | S | S | * | . | P | Polyproline II helix | trans | -83.1 | 120.8 | 176.8 | -173.8 | 173.4 | -68.6 | 170.2 | 3.3 | 109.5 | L123 | L123-R125 PolarHBondContact O-N 3.3Š|
| 126 | A | 92.9 | Very high | 92.9 | Very high | 17 Ų | 17 | 77 Ų | 77 | 14% | 0.14 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 143.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | A106 S128 D133 A137 | A106-A126 HydrophobicContact CB-CB 3.69Å; A126-S128 VanDerWaalsContact C-N 3.32Å; A126-S128 PolarHBondContact O-N 2.92Å; A126-D133 HydrophobicContact CB-CB 4.42Å; A126-A137 HydrophobicContact CB-CB 3.84Å |
| 127 | A | 91.5 | Very high | 93 | Very high | 98 Ų | 98 | 75 Ų | 75 | 81% | 0.81 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -66.6 | -34.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 128 | S | 93.2 | Very high | 93.2 | Very high | 51 Ų | 51 | 70.9 Ų | 70.9 | 36% | 0.357 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -148.2 | 175 | 177.2 | 84 | 0 | 0 | 0 | 0 | 111.9 | A126 A130 D133 | A126-S128 VanDerWaalsContact C-N 3.32Å; A126-S128 PolarHBondContact O-N 2.92Å; S128-A130 PolarHBondContact O-N 3.37Å; S128-A130 WeakPolarHBondContact OG-CB 3.47Å; S128-A130 PolarHBondContact OG-N 2.81Å; S128-D133 WeakPolarHBondContact CB-OD2 3.22Å; S128-D133 PolarHBondContact N-OD2 3.07Å; S128-D133 PolarHBondContact OG-OD2 3.01Å |
| 129 | A | 92 | Very high | 93.4 | Very high | 45 Ų | 45 | 66.6 Ų | 66.6 | 37% | 0.372 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -82.8 | 15.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 130 | A | 93.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 69 Ų | 69 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -70.6 | 141.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | S128 K132 D133 V134 | S128-A130 PolarHBondContact O-N 3.37Å; S128-A130 WeakPolarHBondContact OG-CB 3.47Å; S128-A130 PolarHBondContact OG-N 2.81Å; A130-K132 PolarHBondContact O-N 2.84Å; A130-K132 VanDerWaalsContact O-N 3.14Å; A130-D133 PolarHBondContact O-N 3.01Å; A130-D133 VanDerWaalsContact O-N 3.16Å; A130-V134 WeakPolarHBondContact O-CG2 3.42Å; A130-V134 PolarHBondContact O-N 3.15Å; A130-V134 VanDerWaalsContact O-N 3.08Å |
| 131 | P | 94.8 | Very high | 93.9 | Very high | 64 Ų | 64 | 67.3 Ų | 67.3 | 42% | 0.416 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -53.8 | -37.6 | -177.8 | -28.7 | 35.2 | 0 | 0 | 0 | 114.6 | I85 V134 Q135 | I85-P131 HydrophobicContact CD1-CB 4.27Å; I85-P131 HydrophobicContact CD1-CG 4.17Å; I85-P131 HydrophobicContact CG1-CB 4.19Å; I85-P131 HydrophobicContact CG1-CG 4.22Å; I85-P131 HydrophobicContact CG2-CB 4.18Å; P131-V134 PolarHBondContact O-N 2.86Å; P131-Q135 WeakPolarHBondContact O-CB 3.46Å; P131-Q135 VanDerWaalsContact O-CG 3.23Å; P131-Q135 WeakPolarHBondContact O-CG 3.24Å; P131-Q135 PolarHBondContact O-N 2.96Å |
| 132 | K | 96.2 | Very high | 94.2 | Very high | 167 Ų | 167 | 59.1 Ų | 59.1 | 73% | 0.726 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65 | -46.4 | 179.5 | -66.6 | -177.1 | 178.1 | -177.9 | 0 | 112.3 | A130 V134 Q135 A136 | A130-K132 PolarHBondContact O-N 2.84Å; A130-K132 VanDerWaalsContact O-N 3.14Å; K132-V134 VanDerWaalsContact C-N 3.32Å; K132-V134 PolarHBondContact O-N 3.47Å; K132-Q135 PolarHBondContact O-N 2.96Å; K132-A136 PolarHBondContact O-N 3.46Å |
| 133 | D | 96.5 | Very high | 94.3 | Very high | 56 Ų | 56 | 56.9 Ų | 56.9 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.7 | -37.6 | 179.8 | -61.3 | -13.6 | 0 | 0 | 0 | 111.2 | A126 S128 A130 A136 A137 | A126-D133 HydrophobicContact CB-CB 4.42Å; S128-D133 WeakPolarHBondContact CB-OD2 3.22Å; S128-D133 PolarHBondContact N-OD2 3.07Å; S128-D133 PolarHBondContact OG-OD2 3.01Å; A130-D133 PolarHBondContact O-N 3.01Å; A130-D133 VanDerWaalsContact O-N 3.16Å; D133-A136 PolarHBondContact O-N 3.01Å; D133-A137 WeakPolarHBondContact O-CB 3.18Å; D133-A137 PolarHBondContact O-N 2.77Å |
| 134 | V | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | L87 A103 A106 I107 A130 P131 K132 A138 | L87-V134 HydrophobicContact CD2-CG1 3.68Å; A103-V134 HydrophobicContact CB-CG1 3.54Å; A106-V134 HydrophobicContact CB-CG2 3.93Å; I107-V134 HydrophobicContact CD1-CG1 4.35Å; I107-V134 HydrophobicContact CG1-CG2 4.47Å; A130-V134 WeakPolarHBondContact O-CG2 3.42Å; A130-V134 PolarHBondContact O-N 3.15Å; A130-V134 VanDerWaalsContact O-N 3.08Å; P131-V134 PolarHBondContact O-N 2.86Å; K132-V134 VanDerWaalsContact C-N 3.32Å; K132-V134 PolarHBondContact O-N 3.47Å; V134-A138 VanDerWaalsContact O-CB 3.22Å; V134-A138 WeakPolarHBondContact O-CB 3.23Å; V134-A138 PolarHBondContact O-N 2.97Å |
| 135 | Q | 96.9 | Very high | 94.4 | Very high | 68 Ų | 68 | 59 Ų | 59 | 32% | 0.318 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 175.3 | -76.5 | 168.9 | -13.1 | 0 | 0 | 112 | I85 W86 P131 K132 A138 A139 | I85-Q135 HydrophobicContact CG2-CG 4.35Å; W86-Q135 WeakPolarHBondContact O-CG 3.37Å; W86-Q135 PolarHBondContact O-NE2 2.83Å; P131-Q135 WeakPolarHBondContact O-CB 3.46Å; P131-Q135 VanDerWaalsContact O-CG 3.23Å; P131-Q135 WeakPolarHBondContact O-CG 3.24Å; P131-Q135 PolarHBondContact O-N 2.96Å; K132-Q135 PolarHBondContact O-N 2.96Å; Q135-A138 PolarHBondContact O-N 3.46Å; Q135-A139 WeakPolarHBondContact O-CB 3.32Å; Q135-A139 PolarHBondContact O-N 3Å |
| 136 | A | 96.8 | Very high | 93.9 | Very high | 56 Ų | 56 | 53.5 Ų | 53.5 | 46% | 0.463 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | K132 D133 A138 A139 L140 | K132-A136 PolarHBondContact O-N 3.46Å; D133-A136 PolarHBondContact O-N 3.01Å; A136-A138 VanDerWaalsContact C-N 3.34Å; A136-A138 PolarHBondContact O-N 2.98Å; A136-A139 PolarHBondContact O-N 3.46Å; A136-L140 WeakPolarHBondContact O-CG 3.42Å; A136-L140 PolarHBondContact O-N 2.78Å |
| 137 | A | 96.5 | Very high | 93 | Very high | 6 Ų | 6 | 56.2 Ų | 56.2 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | P124 A126 D133 A139 L140 A141 | P124-A137 HydrophobicContact CG-CB 4.47Å; P124-A137 WeakPolarHBondContact CG-O 3.39Å; A126-A137 HydrophobicContact CB-CB 3.84Å; D133-A137 WeakPolarHBondContact O-CB 3.18Å; D133-A137 PolarHBondContact O-N 2.77Å; A137-A139 PolarHBondContact O-N 2.82Å; A137-L140 PolarHBondContact O-N 2.93Å; A137-A141 WeakPolarHBondContact O-CB 3.05Å; A137-A141 PolarHBondContact O-N 3.45Å |
| 138 | A | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L87 A99 V134 Q135 A136 A141 A142 | L87-A138 HydrophobicContact CB-CB 4.25Å; L87-A138 HydrophobicContact CD2-CB 4.25Å; A99-A138 HydrophobicContact CB-CB 4Å; A99-A138 WeakPolarHBondContact O-CB 3.26Å; V134-A138 VanDerWaalsContact O-CB 3.22Å; V134-A138 WeakPolarHBondContact O-CB 3.23Å; V134-A138 PolarHBondContact O-N 2.97Å; Q135-A138 PolarHBondContact O-N 3.46Å; A136-A138 VanDerWaalsContact C-N 3.34Å; A136-A138 PolarHBondContact O-N 2.98Å; A138-A141 PolarHBondContact O-N 3.41Å; A138-A142 WeakPolarHBondContact O-CB 3.16Å; A138-A142 PolarHBondContact O-N 2.98Å |
| 139 | A | 96 | Very high | 90 | Very high | 55 Ų | 55 | 57.5 Ų | 57.5 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q135 A136 A137 A141 A142 A143 | Q135-A139 WeakPolarHBondContact O-CB 3.32Å; Q135-A139 PolarHBondContact O-N 3Å; A136-A139 PolarHBondContact O-N 3.46Å; A137-A139 PolarHBondContact O-N 2.82Å; A139-A141 PolarHBondContact O-N 3.31Å; A139-A142 WeakPolarHBondContact O-CB 3.3Å; A139-A142 PolarHBondContact O-N 2.86Å; A139-A143 PolarHBondContact O-N 3.22Å |
| 140 | L | 95.6 | Very high | 88.5 | Confident | 111 Ų | 111 | 61 Ų | 61 | 58% | 0.581 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 174.6 | -69.1 | 175 | 0 | 0 | 0 | 111.8 | P124 A136 A137 A142 A143 T144 | P124-L140 HydrophobicContact CB-CB 4.18Å; P124-L140 HydrophobicContact CB-CD1 4.47Å; P124-L140 HydrophobicContact CG-CB 3.89Å; A136-L140 WeakPolarHBondContact O-CG 3.42Å; A136-L140 PolarHBondContact O-N 2.78Å; A137-L140 PolarHBondContact O-N 2.93Å; L140-A142 VanDerWaalsContact C-N 3.33Å; L140-A142 PolarHBondContact O-N 3.46Å; L140-A143 WeakPolarHBondContact O-CB 3.48Å; L140-A143 PolarHBondContact O-N 3.03Å; L140-T144 PolarHBondContact O-N 3.41Å |
| 141 | A | 95.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -65.3 | -37 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R98 A102 L123 P124 A137 A138 A139 T144 | R98-A141 PolarHBondContact NH2-O 3.08Å; A102-A141 HydrophobicContact CB-CB 3.61Å; L123-A141 HydrophobicContact CD2-CB 4.09Å; P124-A141 HydrophobicContact CG-CB 3.81Å; A137-A141 WeakPolarHBondContact O-CB 3.05Å; A137-A141 PolarHBondContact O-N 3.45Å; A138-A141 PolarHBondContact O-N 3.41Å; A139-A141 PolarHBondContact O-N 3.31Å; A141-T144 PolarHBondContact O-N 3.14Å; A141-T144 PolarHBondContact O-OG1 3.42Å |
| 142 | A | 95.5 | Very high | 84.5 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 3% | 0.033 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | F90 M95 A99 A138 A139 L140 T144 V145 | F90-A142 HydrophobicContact CD1-CB 3.99Å; F90-A142 HydrophobicContact CE1-CB 3.4Å; F90-A142 HydrophobicContact CZ-CB 4.04Å; M95-A142 HydrophobicContact CG-CB 3.43Å; M95-A142 VanDerWaalsContact CG-CB 3.43Å; M95-A142 HydrophobicContact SD-CB 4.24Å; A99-A142 HydrophobicContact CB-CB 4.33Å; A138-A142 WeakPolarHBondContact O-CB 3.16Å; A138-A142 PolarHBondContact O-N 2.98Å; A139-A142 WeakPolarHBondContact O-CB 3.3Å; A139-A142 PolarHBondContact O-N 2.86Å; L140-A142 VanDerWaalsContact C-N 3.33Å; L140-A142 PolarHBondContact O-N 3.46Å; A142-T144 PolarHBondContact O-N 3.24Å; A142-V145 VanDerWaalsContact O-CG2 3.28Å; A142-V145 WeakPolarHBondContact O-CG2 3.2Å; A142-V145 PolarHBondContact O-N 3.07Å; A142-V145 VanDerWaalsContact O-N 3.07Å |
| 143 | A | 93.5 | Very high | 82.5 | Confident | 77 Ų | 77 | 65.1 Ų | 65.1 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -65.6 | -20.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A139 L140 V145 | A139-A143 PolarHBondContact O-N 3.22Å; L140-A143 WeakPolarHBondContact O-CB 3.48Å; L140-A143 PolarHBondContact O-N 3.03Å; A143-V145 PolarHBondContact O-N 2.92Å |
| 144 | T | 91.6 | Very high | 80.1 | Confident | 87 Ų | 87 | 68.1 Ų | 68.1 | 53% | 0.534 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -4.1 | 173.9 | 67.2 | 0 | 0 | 0 | 0 | 113.2 | R98 L140 A141 A142 | R98-T144 PolarHBondContact NH1-O 2.73Å; R98-T144 PolarHBondContact NH2-O 3.34Å; R98-T144 PolarHBondContact NH2-OG1 2.96Å; L140-T144 PolarHBondContact O-N 3.41Å; A141-T144 PolarHBondContact O-N 3.14Å; A141-T144 PolarHBondContact O-OG1 3.42Å; A142-T144 PolarHBondContact O-N 3.24Å |
| 145 | V | 90 | Very high | 77.6 | Confident | 16 Ų | 16 | 73.5 Ų | 73.5 | 10% | 0.097 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -82 | 127.6 | 177.5 | -165.2 | 0 | 0 | 0 | 0 | 103.8 | M95 R98 A142 A143 A147 | M95-V145 HydrophobicContact CB-CG2 3.64Å; M95-V145 HydrophobicContact CE-CB 4.2Å; M95-V145 HydrophobicContact CE-CG2 4.25Å; M95-V145 HydrophobicContact CG-CG2 3.87Å; R98-V145 VanDerWaalsContact CZ-CA 3.4Å; R98-V145 VanDerWaalsContact NE-CG2 3.27Å; A142-V145 VanDerWaalsContact O-CG2 3.28Å; A142-V145 WeakPolarHBondContact O-CG2 3.2Å; A142-V145 PolarHBondContact O-N 3.07Å; A142-V145 VanDerWaalsContact O-N 3.07Å; A143-V145 PolarHBondContact O-N 2.92Å; V145-A147 PolarHBondContact O-N 3.47Å |
| 146 | P | 81.1 | Confident | 75 | Confident | 107 Ų | 107 | 75.1 Ų | 75.1 | 70% | 0.695 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 119.1 | 165.1 | 24.6 | -32 | 0 | 0 | 0 | 107.1 | ||
| 147 | A | 73.1 | Confident | 72.3 | Confident | 74 Ų | 74 | 75.4 Ų | 75.4 | 61% | 0.612 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 139 | 174.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | V145 S149 | V145-A147 PolarHBondContact O-N 3.47Å; A147-S149 PolarHBondContact O-N 3.26Å; A147-S149 VanDerWaalsContact O-N 3.09Å |
| 148 | P | 66.8 | Low | 70.2 | Confident | 72 Ų | 72 | 83.7 Ų | 83.7 | 47% | 0.468 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -57.3 | 126.2 | 174.2 | 28.7 | -32.9 | 0 | 0 | 0 | 106.2 | N92 P150 | N92-P148 WeakPolarHBondContact ND2-CD 3.46Å; N92-P148 WeakPolarHBondContact OD1-CG 3.33Å; P148-P150 VanDerWaalsContact O-N 3.12Å |
| 149 | S | 55.6 | Low | 67.7 | Low | 103 Ų | 103 | 87.2 Ų | 87.2 | 72% | 0.72 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 125.3 | 176 | -29.6 | 0 | 0 | 0 | 0 | 107.6 | A147 V151 | A147-S149 PolarHBondContact O-N 3.26Å; A147-S149 VanDerWaalsContact O-N 3.09Å; S149-V151 PolarHBondContact O-N 2.88Å |
| 150 | P | 59.3 | Low | 65.4 | Low | 120 Ų | 120 | 94.2 Ų | 94.2 | 78% | 0.779 | 61% | 0.614 | S | S | * | * | trans | -61.1 | 106.4 | 179.9 | 23.8 | -32 | 0 | 0 | 0 | 107.4 | P148 V152 | P148-P150 VanDerWaalsContact O-N 3.12Å; P150-V152 PolarHBondContact O-N 3.34Å | ||
| 151 | V | 54.1 | Low | 62.8 | Low | 139 Ų | 139 | 91.4 Ų | 91.4 | 84% | 0.842 | 61% | 0.613 | S | S | * | * | trans | -67.2 | 88.9 | 164.8 | -76.6 | 0 | 0 | 0 | 0 | 106.1 | S149 A153 | S149-V151 PolarHBondContact O-N 2.88Å; V151-A153 PolarHBondContact O-N 3.49Å | ||
| 152 | V | 50.7 | Low | 60.9 | Low | 138 Ų | 138 | 98.5 Ų | 98.5 | 84% | 0.836 | 65% | 0.65 | S | S | * | * | trans | 24.5 | 72.7 | 166.4 | -169.5 | 0 | 0 | 0 | 0 | 112.3 | P150 | P150-V152 PolarHBondContact O-N 3.34Š| ||
| 153 | A | 54.4 | Low | 58.6 | Low | 78 Ų | 78 | 104.3 Ų | 104.3 | 65% | 0.645 | 68% | 0.68 | S | S | * | * | trans | -65.4 | 136.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 106.6 | V151 S155 | V151-A153 PolarHBondContact O-N 3.49Å; A153-S155 PolarHBondContact O-N 3.4Å | ||
| 154 | P | 47 | Very low | 57 | Low | 120 Ų | 120 | 108 Ų | 108 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | -57.7 | 116.5 | 175.9 | 24.1 | -31.4 | 0 | 0 | 0 | 107.8 | C156 | P154-C156 PolarHBondContact O-N 2.93Š| ||
| 155 | S | 43.4 | Very low | 55 | Low | 112 Ų | 112 | 111.3 Ų | 111.3 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | trans | -49.7 | 102.2 | 170.4 | 167.6 | 0 | 0 | 0 | 0 | 108.4 | A153 G157 | A153-S155 PolarHBondContact O-N 3.4Å; S155-G157 PolarHBondContact O-N 2.97Å | ||
| 156 | C | 41.7 | Very low | 53.6 | Low | 102 Ų | 102 | 115.1 Ų | 115.1 | 69% | 0.689 | 74% | 0.737 | S | S | * | * | trans | -68.1 | 85.3 | 158.7 | 43.8 | 0 | 0 | 0 | 0 | 106.6 | P154 H158 | P154-C156 PolarHBondContact O-N 2.93Å; C156-H158 PolarHBondContact O-N 3.14Å; C156-H158 PolarHBondContact O-ND1 2.96Å | ||
| 157 | G | 40.9 | Very low | 51.9 | Low | 62 Ų | 62 | 117.3 Ų | 117.3 | 64% | 0.639 | 74% | 0.743 | S | S | * | * | trans | -58.3 | 106.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | S155 G159 | S155-G157 PolarHBondContact O-N 2.97Å; G157-G159 PolarHBondContact O-N 3.21Å | ||
| 158 | H | 51.7 | Low | 51.2 | Low | 181 Ų | 181 | 119.9 Ų | 119.9 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -70 | 82.4 | 163.5 | -75.2 | 71.9 | 0 | 0 | 0 | 106.8 | C156 | C156-H158 PolarHBondContact O-N 3.14Å; C156-H158 PolarHBondContact O-ND1 2.96Å | ||
| 159 | G | 45 | Very low | 50.3 | Low | 74 Ų | 74 | 125 Ų | 125 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | -72.4 | 119.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | G157 | G157-G159 PolarHBondContact O-N 3.21Š| ||
| 160 | H | 47.2 | Very low | 50.3 | Low | 201 Ų | 201 | 126 Ų | 126 | 93% | 0.931 | 77% | 0.77 | S | S | * | * | trans | -70.9 | 132.3 | 171.6 | -169.9 | -90.5 | 0 | 0 | 0 | 110 | ||||
| 161 | G | 41.3 | Very low | 49.9 | Very low | 53 Ų | 53 | 129.2 Ų | 129.2 | 55% | 0.546 | 78% | 0.775 | S | S | . | * | trans | 144.7 | 97.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 162 | L | 56.3 | Low | 49.9 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 78% | 0.775 | 77% | 0.774 | S | S | * | * | 84.4 | 111.5 | 95.5 | -76.8 | 169.8 | 0 | 0 | 0 | 111.5 | |||||
| 163 | D | 46 | Very low | 49.4 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | trans | 75.2 | 146.4 | 146.6 | -17.9 | -45.2 | 0 | 0 | 0 | 120.8 | ||||
| 164 | D | 60.1 | Low | 49.5 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 103.2 | 110.5 | 159.7 | -58.7 | -52.9 | 0 | 0 | 0 | 119.7 | ||||
| 165 | D | 48.9 | Very low | 50.1 | Low | 158 Ų | 158 | 134.9 Ų | 134.9 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | -58.5 | 140.2 | 173.7 | -51.9 | -95.3 | 0 | 0 | 0 | 114.3 | ||||
| 166 | A | 61.7 | Low | 50.1 | Low | 96 Ų | 96 | 135.6 Ų | 135.6 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | -167.1 | 113.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 167 | D | 45.1 | Very low | 50.2 | Low | 152 Ų | 152 | 139.6 Ų | 139.6 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | -59.5 | 131.9 | 170 | -53 | -81.7 | 0 | 0 | 0 | 111.9 | ||||
| 168 | T | 57.7 | Low | 50.1 | Low | 129 Ų | 129 | 144.9 Ų | 144.9 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -154.1 | 123.4 | 152.6 | -65.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 169 | E | 47.9 | Very low | 49.2 | Very low | 179 Ų | 179 | 141.1 Ų | 141.1 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -86.2 | 127.1 | -176.4 | -17.4 | -171.3 | 135.2 | 0 | 0 | 107.8 | ||||
| 170 | T | 56.5 | Low | 49.5 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -149.4 | 108.1 | 160.6 | -41.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 171 | E | 50.2 | Low | 49.5 | Very low | 188 Ų | 188 | 139.3 Ų | 139.3 | 88% | 0.879 | 78% | 0.781 | S | S | * | * | trans | -78.7 | 119.6 | 174.8 | -55.4 | -161.2 | 116.2 | 0 | 0 | 109.3 | ||||
| 172 | E | 53.9 | Low | 49.8 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -134.5 | 104.5 | 163.7 | -74.9 | -83.4 | 111.4 | 0 | 0 | 107.8 | L174 | E172-L174 PolarHBondContact O-N 3.45Š| ||
| 173 | D | 41.2 | Very low | 49 | Very low | 167 Ų | 167 | 144.4 Ų | 144.4 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -68.8 | 112.8 | 177.4 | -174.8 | 65 | 0 | 0 | 0 | 110.4 | ||||
| 174 | L | 55.6 | Low | 48.7 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | trans | -133 | 132.9 | 171.8 | -84.6 | 167 | 0 | 0 | 0 | 110.2 | E172 | E172-L174 PolarHBondContact O-N 3.45Š| ||
| 175 | P | 59.2 | Low | 47.7 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 66% | 0.662 | 81% | 0.81 | S | S | * | * | trans | -71.6 | 155.7 | -170.9 | 28.9 | -34.9 | 0 | 0 | 0 | 112.7 | Q177 | P175-Q177 PolarHBondContact O-N 3Š| ||
| 176 | P | 44.4 | Very low | 47.2 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | -66.5 | 105.5 | -166.6 | 26.7 | -33.7 | 0 | 0 | 0 | 111 | Q178 | P176-Q178 PolarHBondContact O-N 3.19Š| ||
| 177 | Q | 42.4 | Very low | 46.3 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -64.3 | 115.9 | 158.8 | -62.7 | -170 | 23.5 | 0 | 0 | 106.3 | P175 A179 | P175-Q177 PolarHBondContact O-N 3Å; Q177-A179 VanDerWaalsContact C-N 3.33Å; Q177-A179 PolarHBondContact O-N 2.94Å | ||
| 178 | Q | 39.3 | Very low | 46.5 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -50.7 | 100.1 | 172.1 | -93.6 | 165.1 | -86 | 0 | 0 | 109.2 | P176 M180 | P176-Q178 PolarHBondContact O-N 3.19Å; Q178-M180 PolarHBondContact O-N 3.47Å | ||
| 179 | A | 33.3 | Very low | 45.9 | Very low | 101 Ų | 101 | 148 Ų | 148 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -62.9 | 101.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | Q177 | Q177-A179 VanDerWaalsContact C-N 3.33Å; Q177-A179 PolarHBondContact O-N 2.94Å | ||
| 180 | M | 50.5 | Low | 45.7 | Very low | 119 Ų | 119 | 143.8 Ų | 143.8 | 59% | 0.586 | 80% | 0.799 | S | S | * | * | trans | -86.5 | 142.3 | 170.2 | -63.1 | -65.8 | -67.8 | 0 | 0 | 107 | W86 Q178 E182 | W86-M180 HydrophobicContact CZ3-CE 4.44Å; Q178-M180 PolarHBondContact O-N 3.47Å; M180-E182 PolarHBondContact O-N 2.94Å | ||
| 181 | P | 48.1 | Very low | 45.4 | Very low | 119 Ų | 119 | 145.7 Ų | 145.7 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -58.9 | 115.3 | -174.4 | 24.5 | -33.5 | 0 | 0 | 0 | 109.7 | C183 | P181-C183 PolarHBondContact O-N 3.5Š| ||
| 182 | E | 46.5 | Very low | 45.4 | Very low | 183 Ų | 183 | 144.8 Ų | 144.8 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | trans | -53.9 | 118.4 | 158.2 | -80.6 | 172.6 | 79.9 | 0 | 0 | 106.7 | M180 E184 | M180-E182 PolarHBondContact O-N 2.94Å; E182-E184 PolarHBondContact O-N 3.3Å | ||
| 183 | C | 39.6 | Very low | 45.1 | Very low | 125 Ų | 125 | 143.9 Ų | 143.9 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | -71.8 | 92.4 | 165.5 | 55.4 | 0 | 0 | 0 | 0 | 106.6 | P181 S185 | P181-C183 PolarHBondContact O-N 3.5Å; C183-S185 PolarHBondContact O-N 3.49Å; C183-S185 VanDerWaalsContact O-N 3.15Å | ||
| 184 | E | 39.8 | Very low | 45.7 | Very low | 184 Ų | 184 | 143.7 Ų | 143.7 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -50 | 124.9 | 166.1 | -91.6 | -176.2 | 88.4 | 0 | 0 | 108.3 | E182 G186 | E182-E184 PolarHBondContact O-N 3.3Å; E184-G186 PolarHBondContact O-N 3.08Å | ||
| 185 | S | 41 | Very low | 45.4 | Very low | 125 Ų | 125 | 140.8 Ų | 140.8 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | -65.1 | 72.2 | 176 | 177.4 | 0 | 0 | 0 | 0 | 109.5 | C183 N187 | C183-S185 PolarHBondContact O-N 3.49Å; C183-S185 VanDerWaalsContact O-N 3.15Å; S185-N187 PolarHBondContact O-N 3.49Å | ||
| 186 | G | 37 | Very low | 44.9 | Very low | 49 Ų | 49 | 141.4 Ų | 141.4 | 51% | 0.505 | 80% | 0.797 | S | S | . | * | trans | -73.8 | 107.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | E184 Q188 | E184-G186 PolarHBondContact O-N 3.08Å; G186-Q188 VanDerWaalsContact C-N 3.3Å; G186-Q188 PolarHBondContact O-N 3.16Å | ||
| 187 | N | 43.5 | Very low | 45.3 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 88% | 0.882 | 79% | 0.793 | S | S | * | * | trans | -56.1 | 86.2 | 174.3 | -155 | -6.3 | 0 | 0 | 0 | 110.1 | S185 | S185-N187 PolarHBondContact O-N 3.49Š| ||
| 188 | Q | 47.9 | Very low | 45.5 | Very low | 173 Ų | 173 | 137.8 Ų | 137.8 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -113.6 | 97.5 | 178.6 | -68 | -173.1 | 83.2 | 0 | 0 | 108.5 | G186 A190 | G186-Q188 VanDerWaalsContact C-N 3.3Å; G186-Q188 PolarHBondContact O-N 3.16Å; Q188-A190 PolarHBondContact O-N 3.31Å | ||
| 189 | Q | 45.2 | Very low | 46.2 | Very low | 194 Ų | 194 | 137 Ų | 137 | 91% | 0.907 | 79% | 0.789 | S | S | * | * | trans | -62.3 | 85.3 | 168.8 | -155 | 162.4 | 27.4 | 0 | 0 | 107.9 | Q191 | Q189-Q191 PolarHBondContact O-N 3.2Š| ||
| 190 | A | 44.6 | Very low | 46.9 | Very low | 90 Ų | 90 | 135 Ų | 135 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | -72.6 | 97.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q188 L192 | Q188-A190 PolarHBondContact O-N 3.31Å; A190-L192 PolarHBondContact O-N 3.49Å | ||
| 191 | Q | 51.2 | Low | 46.8 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -54.3 | 106.5 | 165.6 | -173.3 | 169.4 | 28.3 | 0 | 0 | 108.3 | Q189 Q193 | Q189-Q191 PolarHBondContact O-N 3.2Å; Q191-Q193 PolarHBondContact O-N 3.27Å | ||
| 192 | L | 49 | Very low | 46.6 | Very low | 168 Ų | 168 | 134.1 Ų | 134.1 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | -63 | 86.8 | 166.4 | -76 | 164.4 | 0 | 0 | 0 | 108 | A190 L194 | A190-L192 PolarHBondContact O-N 3.49Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 3.45Å; L192-L194 VanDerWaalsContact O-N 3.15Å | ||
| 193 | Q | 48.2 | Very low | 46.7 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 72% | 0.724 | 79% | 0.794 | S | S | * | * | trans | -78.7 | 93.9 | 162.5 | -154.9 | 82.3 | 20.9 | 0 | 0 | 106.9 | Q191 A195 | Q191-Q193 PolarHBondContact O-N 3.27Å; Q193-A195 PolarHBondContact O-N 3.32Å | ||
| 194 | L | 54.4 | Low | 47.2 | Very low | 163 Ų | 163 | 130.7 Ų | 130.7 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -62.2 | 93.9 | 170.1 | -168.7 | 73.5 | 0 | 0 | 0 | 108.5 | L192 C196 | L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 3.45Å; L192-L194 VanDerWaalsContact O-N 3.15Å; L194-C196 PolarHBondContact O-N 2.78Å | ||
| 195 | A | 48.7 | Very low | 47.5 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -87.6 | 98.6 | 165 | 0 | 0 | 0 | 0 | 0 | 107.8 | Q193 A197 | Q193-A195 PolarHBondContact O-N 3.32Å; A195-A197 PolarHBondContact O-N 2.88Å; A195-A197 VanDerWaalsContact O-N 3.14Å | ||
| 196 | C | 49.2 | Very low | 48.2 | Very low | 115 Ų | 115 | 132.3 Ų | 132.3 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | -60.5 | 107 | 162 | 41.9 | 0 | 0 | 0 | 0 | 108.7 | L194 D198 | L194-C196 PolarHBondContact O-N 2.78Å; C196-D198 PolarHBondContact O-N 3.14Å | ||
| 197 | A | 51.5 | Low | 48.8 | Very low | 89 Ų | 89 | 138.7 Ų | 138.7 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -77.4 | 99.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | A195 I199 | A195-A197 PolarHBondContact O-N 2.88Å; A195-A197 VanDerWaalsContact O-N 3.14Å; A197-I199 PolarHBondContact O-N 3.36Å | ||
| 198 | D | 48 | Very low | 49.2 | Very low | 147 Ų | 147 | 138.4 Ų | 138.4 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -62.7 | 104.3 | 169.4 | -154.6 | -46.1 | 0 | 0 | 0 | 108.7 | C196 G200 | C196-D198 PolarHBondContact O-N 3.14Å; D198-G200 VanDerWaalsContact C-N 3.32Å; D198-G200 PolarHBondContact O-N 3.06Å; D198-G200 PolarHBondContact OD1-N 2.54Å | ||
| 199 | I | 53.7 | Low | 49.4 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -97.5 | 73.3 | 165 | -56.2 | 179.8 | 0 | 0 | 0 | 106.3 | A197 V201 | A197-I199 PolarHBondContact O-N 3.36Å; I199-V201 PolarHBondContact O-N 3.4Å | ||
| 200 | G | 46.3 | Very low | 50.3 | Low | 59 Ų | 59 | 133.2 Ų | 133.2 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | -70.8 | 106.2 | 167 | 0 | 0 | 0 | 0 | 0 | 110.4 | D198 G202 | D198-G200 VanDerWaalsContact C-N 3.32Å; D198-G200 PolarHBondContact O-N 3.06Å; D198-G200 PolarHBondContact OD1-N 2.54Å; G200-G202 PolarHBondContact O-N 3.07Å | ||
| 201 | V | 48.9 | Very low | 51.1 | Low | 146 Ų | 146 | 134 Ų | 134 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | trans | -61.3 | 98 | 162.6 | -93.2 | 0 | 0 | 0 | 0 | 109.4 | I199 | I199-V201 PolarHBondContact O-N 3.4Š| ||
| 202 | G | 44.8 | Very low | 51.1 | Low | 72 Ų | 72 | 134.4 Ų | 134.4 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -110.5 | 91.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | G200 G204 | G200-G202 PolarHBondContact O-N 3.07Å; G202-G204 PolarHBondContact O-N 3.49Å; G202-G204 VanDerWaalsContact O-N 3.13Å | ||
| 203 | L | 47.3 | Very low | 51.3 | Low | 176 Ų | 176 | 129.7 Ų | 129.7 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | trans | -71.4 | 97.1 | 163.1 | -69 | 171.9 | 0 | 0 | 0 | 107.9 | ||||
| 204 | G | 50.2 | Low | 51.6 | Low | 61 Ų | 61 | 129.9 Ų | 129.9 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | -130.1 | 101.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | G202 T206 | G202-G204 PolarHBondContact O-N 3.49Å; G202-G204 VanDerWaalsContact O-N 3.13Å; G204-T206 PolarHBondContact O-N 2.95Å | ||
| 205 | Y | 47.9 | Very low | 51.7 | Low | 215 Ų | 215 | 129.2 Ų | 129.2 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | trans | -72.1 | 100.5 | 173.6 | 39.9 | -82.8 | 0 | 0 | 0 | 109.6 | ||||
| 206 | T | 54 | Low | 52 | Low | 127 Ų | 127 | 130.8 Ų | 130.8 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -147.8 | 99.4 | 165.4 | 53.5 | 0 | 0 | 0 | 0 | 107.8 | G204 | G204-T206 PolarHBondContact O-N 2.95Š| ||
| 207 | F | 50.5 | Low | 52.2 | Low | 184 Ų | 184 | 134.5 Ų | 134.5 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | 86.4 | 103.6 | 99.9 | -169.5 | -100.4 | 0 | 0 | 0 | 111.3 | D209 | F207-D209 HydrophobicContact CE1-CB 4.29Š| |||
| 208 | L | 51.1 | Low | 52.3 | Low | 159 Ų | 159 | 132.3 Ų | 132.3 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | trans | -62.7 | 122.2 | 171.6 | -72.5 | 154.2 | 0 | 0 | 0 | 109.5 | ||||
| 209 | D | 51.8 | Low | 52.6 | Low | 133 Ų | 133 | 134.8 Ų | 134.8 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | -142.7 | 99 | 157.9 | -159.3 | 73.3 | 0 | 0 | 0 | 107.3 | F207 | F207-D209 HydrophobicContact CE1-CB 4.29Š| ||
| 210 | V | 66 | Low | 52.9 | Low | 124 Ų | 124 | 135 Ų | 135 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | -118.2 | 116.6 | 171.3 | 176.5 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 211 | P | 60.7 | Low | 53.3 | Low | 108 Ų | 108 | 138.7 Ų | 138.7 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | trans | -75 | 141.3 | -176.7 | 29 | -32.4 | 0 | 0 | 0 | 111.5 | G213 | P211-G213 PolarHBondContact O-N 3.35Š| ||
| 212 | D | 50.6 | Low | 54 | Low | 172 Ų | 172 | 136.3 Ų | 136.3 | 92% | 0.92 | 76% | 0.756 | S | S | * | * | trans | -51 | 126.1 | 171.9 | -70.5 | -78.2 | 0 | 0 | 0 | 113 | ||||
| 213 | G | 54.1 | Low | 55 | Low | 68 Ų | 68 | 138.2 Ų | 138.2 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | -178 | 78.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | P211 | P211-G213 PolarHBondContact O-N 3.35Š| ||
| 214 | L | 54.6 | Low | 55.7 | Low | 159 Ų | 159 | 137.7 Ų | 137.7 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | 73.5 | 138.6 | 90.4 | -171.9 | 69.3 | 0 | 0 | 0 | 111.9 | |||||
| 215 | L | 54.9 | Low | 56 | Low | 150 Ų | 150 | 140 Ų | 140 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | 92 | 85.1 | -177.3 | -47.9 | -179 | 0 | 0 | 0 | 111.2 | ||||
| 216 | D | 56.3 | Low | 56.3 | Low | 124 Ų | 124 | 137.8 Ų | 137.8 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | 50.3 | 139.4 | 63.2 | -158.6 | 38.1 | 0 | 0 | 0 | 113.2 | |||||
| 217 | F | 53.8 | Low | 56.9 | Low | 193 Ų | 193 | 137.7 Ų | 137.7 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | trans | 81.1 | 107.2 | -156.3 | -60.8 | -80.5 | 0 | 0 | 0 | 113.1 | ||||
| 218 | G | 53 | Low | 57 | Low | 44 Ų | 44 | 133.8 Ų | 133.8 | 45% | 0.454 | 76% | 0.762 | S | S | . | * | cis | 128.6 | 84.5 | 25.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 219 | Y | 54.1 | Low | 57.4 | Low | 199 Ų | 199 | 135.5 Ų | 135.5 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | trans | 30.2 | 116.2 | 142 | 14.3 | -92.8 | 0 | 0 | 0 | 117.8 | ||||
| 220 | M | 59 | Low | 57.5 | Low | 161 Ų | 161 | 135.5 Ų | 135.5 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | 170.9 | 131 | 111.9 | -101.5 | -161.8 | 145 | 0 | 0 | 113.2 | |||||
| 221 | L | 56.6 | Low | 56.5 | Low | 137 Ų | 137 | 131.4 Ų | 131.4 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | trans | 63.1 | 138.1 | 139.8 | -57.9 | 161.3 | 0 | 0 | 0 | 117.6 | ||||
| 222 | S | 63.6 | Low | 56 | Low | 96 Ų | 96 | 130.4 Ų | 130.4 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | cis | -175.9 | 156.5 | -5 | -88.7 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 223 | P | 64.6 | Low | 56.4 | Low | 112 Ų | 112 | 127.6 Ų | 127.6 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -83.2 | 167.7 | -176.2 | 35.1 | -33.6 | 0 | 0 | 0 | 112 | ||||
| 224 | L | 61.5 | Low | 56.9 | Low | 165 Ų | 165 | 135.4 Ų | 135.4 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | 149.8 | 166.9 | 151.2 | -78.5 | 171.6 | 0 | 0 | 0 | 111.3 | ||||
| 225 | P | 57.6 | Low | 56.9 | Low | 110 Ų | 110 | 134.9 Ų | 134.9 | 71% | 0.714 | 74% | 0.744 | S | S | * | * | -126.8 | 172.9 | -77.3 | 32.6 | -11.1 | 0 | 0 | 0 | 112.9 | |||||
| 226 | L | 54 | Low | 56.9 | Low | 169 Ų | 169 | 135.3 Ų | 135.3 | 89% | 0.885 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 145 | 176.6 | -63.8 | 167.6 | 0 | 0 | 0 | 113.2 | ||
| 227 | P | 65.7 | Low | 57 | Low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 127.1 | 157.6 | 32.2 | -25 | 0 | 0 | 0 | 111.7 | ||
| 228 | A | 53 | Low | 56.9 | Low | 103 Ų | 103 | 131.8 Ų | 131.8 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 133.5 | 161.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 229 | Y | 59.3 | Low | 57.2 | Low | 195 Ų | 195 | 136.4 Ų | 136.4 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | -134.4 | 97.3 | 164.3 | -174 | -106.9 | 0 | 0 | 0 | 108.7 | G231 | Y229-G231 WeakPolarHBondContact CE1-O 3.44Å; Y229-G231 VanDerWaalsContact CZ-O 3.25Å; Y229-G231 PolarHBondContact OH-O 3.13Å | ||
| 230 | C | 53.8 | Low | 57.1 | Low | 132 Ų | 132 | 134.2 Ų | 134.2 | 89% | 0.892 | 76% | 0.763 | S | S | * | * | trans | -95.5 | 122.5 | 166.4 | 174 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 231 | G | 46.6 | Very low | 57.1 | Low | 39 Ų | 39 | 133.3 Ų | 133.3 | 40% | 0.402 | 76% | 0.76 | S | S | . | * | trans | 134.1 | 101.3 | 171 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y229 | Y229-G231 WeakPolarHBondContact CE1-O 3.44Å; Y229-G231 VanDerWaalsContact CZ-O 3.25Å; Y229-G231 PolarHBondContact OH-O 3.13Å | ||
| 232 | S | 50.2 | Low | 57.3 | Low | 86 Ų | 86 | 131.9 Ų | 131.9 | 60% | 0.601 | 76% | 0.761 | S | S | * | * | trans | -121 | 108.6 | 152.9 | -70.7 | 0 | 0 | 0 | 0 | 107.9 | W234 | S232-W234 VanDerWaalsContact O-CD1 3.3Š| ||
| 233 | P | 57.3 | Low | 56.4 | Low | 113 Ų | 113 | 136.9 Ų | 136.9 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -76 | 113.1 | 179.9 | 27.9 | -30.9 | 0 | 0 | 0 | 110.7 | ||||
| 234 | W | 65.4 | Low | 56 | Low | 232 Ų | 232 | 140 Ų | 140 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | trans | -120.2 | 8.3 | 165.9 | -49.1 | 81.5 | 0 | 0 | 0 | 111.4 | S232 | S232-W234 VanDerWaalsContact O-CD1 3.3Š| ||
| 235 | D | 54.3 | Low | 56.2 | Low | 148 Ų | 148 | 138.2 Ų | 138.2 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | trans | -89.6 | 140.3 | 165.8 | -72.6 | -76.9 | 0 | 0 | 0 | 107.9 | ||||
| 236 | D | 54.6 | Low | 56.7 | Low | 159 Ų | 159 | 138.1 Ų | 138.1 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | 81.9 | 71 | -177.7 | -81.1 | -73.7 | 0 | 0 | 0 | 117.8 | ||||
| 237 | I | 59.4 | Low | 56.7 | Low | 161 Ų | 161 | 136.9 Ų | 136.9 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | trans | -132.4 | 113.8 | 135.8 | -63 | -178.1 | 0 | 0 | 0 | 108.4 | ||||
| 238 | A | 52.2 | Low | 56.5 | Low | 82 Ų | 82 | 137.5 Ų | 137.5 | 68% | 0.678 | 75% | 0.752 | S | S | * | * | trans | -65.4 | 127.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 239 | D | 58.3 | Low | 57.1 | Low | 142 Ų | 142 | 138.7 Ų | 138.7 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | -123.6 | 74.2 | 154 | -80.9 | -58.5 | 0 | 0 | 0 | 107.4 | L241 | D239-L241 VanDerWaalsContact C-N 3.29Å; D239-L241 PolarHBondContact O-N 3.34Å | ||
| 240 | D | 53.1 | Low | 57.8 | Low | 153 Ų | 153 | 141.2 Ų | 141.2 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -82.4 | 79.9 | 162.1 | -148.8 | -33.6 | 0 | 0 | 0 | 106.4 | ||||
| 241 | L | 59 | Low | 58.4 | Low | 141 Ų | 141 | 142.3 Ų | 142.3 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | trans | -138.2 | 89.6 | 173.2 | -73.4 | 179.9 | 0 | 0 | 0 | 110.5 | D239 | D239-L241 VanDerWaalsContact C-N 3.29Å; D239-L241 PolarHBondContact O-N 3.34Å | ||
| 242 | C | 59.7 | Low | 59 | Low | 107 Ų | 107 | 152.7 Ų | 152.7 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | trans | 53 | 82.7 | 136.1 | -57 | 0 | 0 | 0 | 0 | 117.3 | E244 | C242-E244 VanDerWaalsContact C-N 3.27Å; C242-E244 PolarHBondContact O-N 2.97Å | ||
| 243 | F | 45.4 | Very low | 59.4 | Low | 202 Ų | 202 | 156 Ų | 156 | 89% | 0.886 | 79% | 0.79 | S | S | * | * | trans | -77.5 | 83.9 | 146.8 | -160.6 | -91.2 | 0 | 0 | 0 | 107.7 | ||||
| 244 | E | 56.5 | Low | 59.5 | Low | 177 Ų | 177 | 158.3 Ų | 158.3 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | trans | -104.4 | 104.2 | 164.5 | -145.8 | -174.7 | 159.1 | 0 | 0 | 108.3 | C242 P246 | C242-E244 VanDerWaalsContact C-N 3.27Å; C242-E244 PolarHBondContact O-N 2.97Å; E244-P246 WeakPolarHBondContact O-CD 3.13Å | ||
| 245 | E | 65.5 | Low | 59.2 | Low | 128 Ų | 128 | 154.2 Ų | 154.2 | 60% | 0.598 | 79% | 0.788 | S | S | * | * | trans | -59.9 | 120 | 171.4 | -178 | -171.7 | 165.4 | 0 | 0 | 110.5 | L247 | E245-L247 HydrophobicContact CG-CG 4.45Å; E245-L247 PolarHBondContact O-N 3.21Å; E245-L247 WeakPolarHBondContact OE1-CD2 3.41Å | ||
| 246 | P | 67.5 | Low | 59.5 | Low | 107 Ų | 107 | 154.5 Ų | 154.5 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | -87.3 | 97.8 | 161.1 | 28.7 | -19.5 | 0 | 0 | 0 | 108 | E244 L248 | E244-P246 WeakPolarHBondContact O-CD 3.13Å; P246-L248 VanDerWaalsContact C-N 3.34Å; P246-L248 PolarHBondContact O-N 3.3Å | ||
| 247 | L | 54.5 | Low | 59.8 | Low | 143 Ų | 143 | 154.3 Ų | 154.3 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | -55.4 | 98.5 | 155.1 | -73.2 | 174.7 | 0 | 0 | 0 | 108.6 | E245 | E245-L247 HydrophobicContact CG-CG 4.45Å; E245-L247 PolarHBondContact O-N 3.21Å; E245-L247 WeakPolarHBondContact OE1-CD2 3.41Å | ||
| 248 | L | 60 | Low | 59.8 | Low | 138 Ų | 138 | 153.8 Ų | 153.8 | 72% | 0.723 | 78% | 0.781 | S | S | * | * | trans | -107.3 | 88.9 | 162.9 | -85.8 | 169.3 | 0 | 0 | 0 | 109 | P246 W250 | P246-L248 VanDerWaalsContact C-N 3.34Å; P246-L248 PolarHBondContact O-N 3.3Å; L248-W250 PolarHBondContact O-N 3.17Å; L248-W250 PolarHBondContact O-NE1 3.5Å | ||
| 249 | L | 67 | Low | 60.3 | Low | 127 Ų | 127 | 158.9 Ų | 158.9 | 67% | 0.665 | 79% | 0.788 | S | S | * | * | trans | -11.4 | 112.6 | 137.1 | -160.9 | 69.3 | 0 | 0 | 0 | 114.5 | E251 | L249-E251 HydrophobicContact CD1-CB 4.47Å; L249-E251 HydrophobicContact CD1-CG 3.73Å; L249-E251 WeakPolarHBondContact CD1-OE2 3.14Å; L249-E251 HydrophobicContact CG-CB 4.31Å; L249-E251 HydrophobicContact CG-CG 4.11Å | ||
| 250 | W | 72.6 | Confident | 60.5 | Low | 248 Ų | 248 | 160.2 Ų | 160.2 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | trans | -113.1 | 85.4 | 154.1 | -13.7 | -44.7 | 0 | 0 | 0 | 105.6 | L248 | L248-W250 PolarHBondContact O-N 3.17Å; L248-W250 PolarHBondContact O-NE1 3.5Å | ||
| 251 | E | 67.1 | Low | 61.1 | Low | 156 Ų | 156 | 160.8 Ų | 160.8 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | trans | -89.7 | 120.5 | 164.7 | -86 | -177.5 | 119.9 | 0 | 0 | 108.6 | L249 | L249-E251 HydrophobicContact CD1-CB 4.47Å; L249-E251 HydrophobicContact CD1-CG 3.73Å; L249-E251 WeakPolarHBondContact CD1-OE2 3.14Å; L249-E251 HydrophobicContact CG-CB 4.31Å; L249-E251 HydrophobicContact CG-CG 4.11Å | ||
| 252 | H | 58.4 | Low | 61.3 | Low | 256 Ų | 256 | 162.6 Ų | 162.6 | 100% | 1.185 | 79% | 0.793 | S | S | * | * | trans | 75.1 | 0 | 150.2 | -145.1 | -59.2 | 0 | 0 | 0 | 121 |
Retrieved 252 of 252 residues in 443 ms
(Link to these results)