| 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 | 44.8 | Very low | 43.9 | Very low | 235 Ų | 235 | 168.5 Ų | 168.5 | 100% | 1.158 | 91% | 0.908 | S | S | * | * | 0 | 91.6 | 0 | -69.2 | 172.6 | -172.5 | 0 | 0 | 107.7 | |||||
| 2 | F | 43.8 | Very low | 43 | Very low | 220 Ų | 220 | 168.9 Ų | 168.9 | 97% | 0.965 | 90% | 0.9 | S | S | * | * | trans | -145.8 | 100.1 | 164 | -76.4 | -74.3 | 0 | 0 | 0 | 105.6 | ||||
| 3 | K | 44.4 | Very low | 42.2 | Very low | 219 Ų | 219 | 170.4 Ų | 170.4 | 95% | 0.952 | 89% | 0.893 | S | S | * | * | trans | -118.2 | 131.1 | 168.7 | -85.5 | -175.8 | 174.5 | -176.1 | 0 | 106 | ||||
| 4 | G | 44.3 | Very low | 41.3 | Very low | 67 Ų | 67 | 166.3 Ų | 166.3 | 69% | 0.691 | 88% | 0.879 | S | S | * | * | trans | 126.4 | 74.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 5 | F | 45.8 | Very low | 40.5 | Very low | 228 Ų | 228 | 162.5 Ų | 162.5 | 100% | 1 | 87% | 0.871 | S | S | * | * | trans | -145.8 | 73.6 | 153.6 | -93.4 | -76.4 | 0 | 0 | 0 | 108.5 | ||||
| 6 | G | 42.4 | Very low | 39.8 | Very low | 71 Ų | 71 | 164.6 Ų | 164.6 | 73% | 0.732 | 87% | 0.874 | S | S | * | * | trans | -157.5 | 52 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 7 | T | 49.5 | Very low | 39.2 | Very low | 145 Ų | 145 | 165.8 Ų | 165.8 | 89% | 0.89 | 87% | 0.874 | S | S | * | * | trans | -149.8 | 46.2 | 172.5 | -32.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 8 | W | 50.5 | Low | 38.6 | Very low | 252 Ų | 252 | 166.3 Ų | 166.3 | 96% | 0.955 | 87% | 0.867 | S | S | * | * | S | Bend | trans | -133.7 | 20.9 | 174 | -164.1 | 51.2 | 0 | 0 | 0 | 114.5 | ||
| 9 | L | 43.9 | Very low | 38 | Very low | 166 Ų | 166 | 166.8 Ų | 166.8 | 87% | 0.869 | 87% | 0.865 | S | S | * | * | S | Bend | trans | -131.4 | 102.3 | 161.4 | -91.4 | 143.1 | 0 | 0 | 0 | 105.7 | L11 | L9-L11 VanDerWaalsContact C-N 3.28Å; L9-L11 PolarHBondContact O-N 3.18Å |
| 10 | G | 39.6 | Very low | 37.4 | Very low | 91 Ų | 91 | 162.3 Ų | 162.3 | 94% | 0.938 | 86% | 0.861 | S | S | * | * | trans | -60.3 | 87.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 11 | L | 33.6 | Very low | 36.8 | Very low | 160 Ų | 160 | 162.8 Ų | 162.8 | 84% | 0.838 | 86% | 0.863 | S | S | * | * | trans | -115.9 | 78.3 | 158.9 | -170.7 | 69.3 | 0 | 0 | 0 | 106.4 | L9 K13 | L9-L11 VanDerWaalsContact C-N 3.28Å; L9-L11 PolarHBondContact O-N 3.18Å; L11-K13 PolarHBondContact O-N 3.36Å; L11-K13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | E | 33.8 | Very low | 36.1 | Very low | 173 Ų | 173 | 157.3 Ų | 157.3 | 81% | 0.808 | 85% | 0.848 | S | S | * | * | trans | -72.7 | 104.4 | 173.4 | -163.7 | 175.7 | 159.4 | 0 | 0 | 108.2 | T14 | E12-T14 HydrophobicContact CG-CG2 4.28Š| ||
| 13 | K | 32.3 | Very low | 35.4 | Very low | 188 Ų | 188 | 153 Ų | 153 | 82% | 0.817 | 84% | 0.839 | S | S | * | * | trans | -102.3 | 93.6 | 167.8 | -165.6 | 174.1 | -174.4 | 172.2 | 0 | 106.9 | L11 | L11-K13 PolarHBondContact O-N 3.36Å; L11-K13 VanDerWaalsContact O-N 3.14Å | ||
| 14 | T | 29.8 | Very low | 34.8 | Very low | 113 Ų | 113 | 150.9 Ų | 150.9 | 69% | 0.693 | 83% | 0.833 | S | S | * | * | trans | -71 | 128.9 | 165.9 | 48.5 | 0 | 0 | 0 | 0 | 109.3 | E12 | E12-T14 HydrophobicContact CG-CG2 4.28Š| ||
| 15 | S | 29.6 | Very low | 34.3 | Very low | 109 Ų | 109 | 157 Ų | 157 | 76% | 0.762 | 84% | 0.844 | S | S | * | * | trans | -146.8 | 99.6 | 158.8 | 45.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 16 | E | 29.5 | Very low | 33.6 | Very low | 197 Ų | 197 | 155.3 Ų | 155.3 | 92% | 0.921 | 84% | 0.839 | S | S | * | * | trans | -85.5 | 164.5 | 156.1 | -88.1 | -176.7 | 156.6 | 0 | 0 | 110.4 | ||||
| 17 | E | 28.9 | Very low | 33.3 | Very low | 185 Ų | 185 | 161.2 Ų | 161.2 | 86% | 0.864 | 85% | 0.847 | S | S | * | * | trans | -72.6 | 153 | -162.4 | -62.5 | 175.5 | 132.4 | 0 | 0 | 116.4 | ||||
| 18 | K | 28.8 | Very low | 32.7 | Very low | 175 Ų | 175 | 163.9 Ų | 163.9 | 76% | 0.761 | 85% | 0.846 | S | S | * | * | trans | 46.4 | 132.8 | 138.3 | -87.8 | -175.9 | 167.7 | -173.3 | 0 | 123.5 | ||||
| 19 | E | 27.4 | Very low | 32.1 | Very low | 176 Ų | 176 | 158 Ų | 158 | 82% | 0.822 | 84% | 0.838 | S | S | * | * | trans | 80.5 | 114.2 | 140.3 | -74 | -179.4 | -160 | 0 | 0 | 119.1 | ||||
| 20 | G | 25.8 | Very low | 31.7 | Very low | 76 Ų | 76 | 156.7 Ų | 156.7 | 78% | 0.784 | 84% | 0.837 | S | S | * | * | trans | 148.2 | 70.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 21 | L | 25 | Very low | 31.6 | Very low | 173 Ų | 173 | 161.7 Ų | 161.7 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | trans | 31.9 | 105.8 | 133.1 | -154.7 | 82.9 | 0 | 0 | 0 | 119.6 | ||||
| 22 | S | 28.8 | Very low | 31.9 | Very low | 119 Ų | 119 | 158.4 Ų | 158.4 | 83% | 0.832 | 83% | 0.832 | S | S | * | * | trans | -164.1 | 113 | 133.2 | 58.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 23 | V | 29 | Very low | 32 | Very low | 130 Ų | 130 | 159.2 Ų | 159.2 | 79% | 0.788 | 84% | 0.835 | S | S | * | * | trans | -66.2 | 160.7 | 166.6 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 24 | E | 33.3 | Very low | 32.3 | Very low | 175 Ų | 175 | 158 Ų | 158 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | 105 | 88.3 | 165.5 | -56.9 | -175.5 | 164.2 | 0 | 0 | 115.3 | ||||
| 25 | Q | 33 | Very low | 32.7 | Very low | 196 Ų | 196 | 161.5 Ų | 161.5 | 92% | 0.916 | 85% | 0.846 | S | S | * | * | trans | 160.8 | 62.2 | 135.8 | -88.3 | 173.3 | -20.1 | 0 | 0 | 111.2 | ||||
| 26 | E | 32.1 | Very low | 32.7 | Very low | 192 Ų | 192 | 163 Ų | 163 | 90% | 0.897 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -129.9 | 11.5 | 164.5 | -103.9 | -173.4 | 161.7 | 0 | 0 | 113.1 | ||
| 27 | E | 34.5 | Very low | 32.7 | Very low | 195 Ų | 195 | 161.6 Ų | 161.6 | 91% | 0.911 | 85% | 0.849 | S | S | * | * | S | Bend | trans | -113.5 | 58.3 | 179.7 | -161.6 | 177.8 | -179.4 | 0 | 0 | 110.2 | ||
| 28 | K | 37.9 | Very low | 32.8 | Very low | 200 Ų | 200 | 160.9 Ų | 160.9 | 87% | 0.87 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -161.6 | 12.1 | 165.5 | -139.9 | -176.1 | 172.7 | 179.7 | 0 | 118 | ||
| 29 | V | 36.8 | Very low | 32.9 | Very low | 130 Ų | 130 | 160.4 Ų | 160.4 | 79% | 0.788 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -129.2 | -3 | -177 | -172.5 | 0 | 0 | 0 | 0 | 114 | ||
| 30 | V | 37.3 | Very low | 33 | Very low | 138 Ų | 138 | 161 Ų | 161 | 84% | 0.836 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -101.9 | 4.7 | -177.9 | -163.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 31 | E | 36.8 | Very low | 32.9 | Very low | 196 Ų | 196 | 161.8 Ų | 161.8 | 92% | 0.916 | 85% | 0.846 | S | S | * | * | S | Bend | trans | -112.6 | 51 | 178.7 | -158 | 177.4 | -168.1 | 0 | 0 | 112 | ||
| 32 | A | 39.5 | Very low | 33.1 | Very low | 91 Ų | 91 | 157.9 Ų | 157.9 | 75% | 0.752 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -147 | 16.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 33 | Q | 35.6 | Very low | 33.1 | Very low | 189 Ų | 189 | 160.2 Ų | 160.2 | 88% | 0.883 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -132.8 | 15.3 | -177.7 | -92.4 | -178.7 | -32.8 | 0 | 0 | 114.7 | ||
| 34 | N | 39 | Very low | 33.1 | Very low | 162 Ų | 162 | 161.6 Ų | 161.6 | 87% | 0.866 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -139.5 | 55.1 | -179.3 | -132.4 | -4.7 | 0 | 0 | 0 | 112.5 | ||
| 35 | E | 37.3 | Very low | 32.7 | Very low | 188 Ų | 188 | 159.5 Ų | 159.5 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -154.8 | 146.6 | 160.3 | -110.6 | 174.9 | -168.7 | 0 | 0 | 109.3 | ||||
| 36 | V | 30.7 | Very low | 32.4 | Very low | 140 Ų | 140 | 157.1 Ų | 157.1 | 85% | 0.848 | 82% | 0.822 | S | S | * | * | trans | 88.8 | 62.5 | 179.7 | -155.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 37 | N | 29.1 | Very low | 32.2 | Very low | 168 Ų | 168 | 156.4 Ų | 156.4 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -117.2 | 88.2 | 142.5 | -170.2 | 9.5 | 0 | 0 | 0 | 109.1 | ||||
| 38 | K | 31.4 | Very low | 31.9 | Very low | 169 Ų | 169 | 151 Ų | 151 | 74% | 0.735 | 81% | 0.808 | S | S | * | * | trans | -169.2 | 136.8 | 155.5 | -145.6 | 174 | -175.9 | 173.7 | 0 | 110.3 | ||||
| 39 | Q | 31.2 | Very low | 31.4 | Very low | 166 Ų | 166 | 147 Ų | 147 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | 80.4 | 124.4 | 170.4 | -47.4 | 175.5 | -2.8 | 0 | 0 | 111.8 | ||||
| 40 | Q | 28.2 | Very low | 31 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | cis | -159.9 | 148.8 | 39.6 | -118.5 | 155 | -5.6 | 0 | 0 | 110.3 | ||||
| 41 | A | 25.2 | Very low | 30.4 | Very low | 93 Ų | 93 | 147.8 Ų | 147.8 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -93 | 146.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 42 | A | 28 | Very low | 30 | Very low | 91 Ų | 91 | 147.6 Ų | 147.6 | 75% | 0.752 | 80% | 0.795 | S | S | * | * | trans | 81.9 | 131.6 | 143.9 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 43 | E | 28.9 | Very low | 29.4 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | 103.6 | 115.3 | 143.8 | -69.5 | 176.2 | -171.4 | 0 | 0 | 121.8 | ||||
| 44 | Q | 28.8 | Very low | 29 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | 92.3 | 119.7 | 129.1 | -81.2 | 179.4 | -13.9 | 0 | 0 | 123.5 | |||||
| 45 | D | 26.1 | Very low | 28.6 | Very low | 130 Ų | 130 | 148.6 Ų | 148.6 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | 77.8 | 125.2 | 131.2 | -67.5 | -12.4 | 0 | 0 | 0 | 124.6 | ||||
| 46 | D | 26.4 | Very low | 28.6 | Very low | 147 Ų | 147 | 145.7 Ų | 145.7 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | trans | 87.9 | 133.1 | 134.4 | -85.9 | -28.1 | 0 | 0 | 0 | 125.3 | ||||
| 47 | E | 26.8 | Very low | 28.9 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | 78.7 | 113.2 | 148.3 | -86.2 | -172.2 | 146.5 | 0 | 0 | 124.4 | ||||
| 48 | A | 28.4 | Very low | 29.9 | Very low | 83 Ų | 83 | 147.4 Ų | 147.4 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | 88 | 128.8 | 117.9 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 49 | S | 27 | Very low | 30.7 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 73.1 | 150.8 | 145.7 | 82.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 50 | E | 28.4 | Very low | 31.5 | Very low | 171 Ų | 171 | 143.8 Ų | 143.8 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | cis | -170.3 | 146.7 | -19.2 | -128.4 | 178.7 | 171.3 | 0 | 0 | 105.4 | ||||
| 51 | T | 26.2 | Very low | 32.7 | Very low | 114 Ų | 114 | 137.8 Ų | 137.8 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 30 | 126.5 | 147.8 | 49.9 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 52 | K | 27 | Very low | 33.8 | Very low | 193 Ų | 193 | 140.9 Ų | 140.9 | 84% | 0.839 | 77% | 0.77 | S | S | * | * | 156.4 | 110.7 | 118.6 | -88.6 | 178.3 | 175.2 | -177.9 | 0 | 110 | |||||
| 53 | E | 27.8 | Very low | 34.8 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | 60.7 | 110.1 | 78.4 | -120.2 | 179.5 | -154.6 | 0 | 0 | 114.6 | |||||
| 54 | E | 28.2 | Very low | 35.8 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | 141 | 116.8 | 127.1 | -77.2 | -173.9 | 175.8 | 0 | 0 | 116.7 | |||||
| 55 | T | 29.3 | Very low | 36.8 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 80% | 0.798 | 75% | 0.751 | S | S | * | * | trans | 68.3 | 120 | 149.9 | 62.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 56 | P | 38.3 | Very low | 38.1 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | trans | -98.9 | 128.4 | 167.1 | 34.6 | -24.4 | 0 | 0 | 0 | 111.8 | H58 | P56-H58 PolarHBondContact O-N 3.3Š| ||
| 57 | D | 37 | Very low | 39.3 | Very low | 164 Ų | 164 | 138 Ų | 138 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | -81.8 | 106.2 | 166.9 | -112.9 | -27.3 | 0 | 0 | 0 | 110.4 | S59 | D57-S59 PolarHBondContact O-N 3.31Š| ||
| 58 | H | 48.3 | Very low | 40.5 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 83% | 0.829 | 73% | 0.734 | S | S | * | * | S | Bend | trans | 9.8 | 81 | 143.3 | -153.2 | -48.2 | 0 | 0 | 0 | 119 | P56 | P56-H58 PolarHBondContact O-N 3.3Š|
| 59 | S | 48.2 | Very low | 41.3 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | -152.1 | 53.7 | 154.5 | 78.2 | 0 | 0 | 0 | 0 | 113.3 | D57 | D57-S59 PolarHBondContact O-N 3.31Š| ||
| 60 | K | 49.1 | Very low | 42.4 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 67% | 0.67 | 73% | 0.728 | S | S | * | * | trans | -143.2 | 57.1 | 176.2 | -65.9 | -173.1 | -176.8 | 174.7 | 0 | 112.7 | E64 | K60-E64 WeakPolarHBondContact CB-OE2 3.41Š| ||
| 61 | G | 52.3 | Low | 43.5 | Very low | 62 Ų | 62 | 132.1 Ų | 132.1 | 64% | 0.639 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -14.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 62 | L | 50.3 | Low | 44.6 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.8 | -13.3 | -176.7 | -69.4 | 173.1 | 0 | 0 | 0 | 115.2 | ||
| 63 | G | 47.7 | Very low | 45.6 | Very low | 58 Ų | 58 | 126.5 Ų | 126.5 | 60% | 0.598 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -18 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 64 | E | 50 | Low | 46.5 | Very low | 109 Ų | 109 | 123.9 Ų | 123.9 | 51% | 0.509 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -92.6 | -24 | -170 | -159.1 | 157.7 | -177.5 | 0 | 0 | 113.2 | K60 I66 F67 S68 | K60-E64 WeakPolarHBondContact CB-OE2 3.41Å; E64-I66 VanDerWaalsContact C-N 3.32Å; E64-I66 PolarHBondContact O-N 3.43Å; E64-F67 PolarHBondContact O-N 2.99Å; E64-S68 PolarHBondContact O-N 3.39Å; E64-S68 PolarHBondContact O-OG 2.94Å |
| 65 | F | 50.1 | Low | 47.5 | Very low | 177 Ų | 177 | 125.4 Ų | 125.4 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -71.6 | -23.9 | 173.1 | -92.7 | -83.3 | 0 | 0 | 0 | 113.6 | ||
| 66 | I | 53.5 | Low | 48.6 | Very low | 142 Ų | 142 | 128.5 Ų | 128.5 | 73% | 0.728 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -84.9 | -26.2 | 173.8 | -44.9 | -170.1 | 0 | 0 | 0 | 110.7 | E64 | E64-I66 VanDerWaalsContact C-N 3.32Å; E64-I66 PolarHBondContact O-N 3.43Å |
| 67 | F | 52.1 | Low | 48.9 | Very low | 150 Ų | 150 | 128.4 Ų | 128.4 | 66% | 0.658 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -85.5 | -32 | -177.4 | -166.8 | -102.2 | 0 | 0 | 0 | 113.6 | E64 F69 A70 | E64-F67 PolarHBondContact O-N 2.99Å; F67-F69 PolarHBondContact O-N 3.33Å; F67-A70 PolarHBondContact O-N 3.39Å |
| 68 | S | 50.3 | Low | 49.3 | Very low | 82 Ų | 82 | 125.2 Ų | 125.2 | 57% | 0.573 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -15.9 | -175.9 | 73.1 | 0 | 0 | 0 | 0 | 114.8 | E64 A70 | E64-S68 PolarHBondContact O-N 3.39Å; E64-S68 PolarHBondContact O-OG 2.94Å; S68-A70 VanDerWaalsContact C-N 3.33Å |
| 69 | F | 46.2 | Very low | 49.2 | Very low | 195 Ų | 195 | 125.5 Ų | 125.5 | 86% | 0.855 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -8.7 | 174.5 | -154.6 | -99.4 | 0 | 0 | 0 | 113.7 | F67 | F67-F69 PolarHBondContact O-N 3.33Š|
| 70 | A | 50.6 | Low | 49.1 | Very low | 60 Ų | 60 | 124.5 Ų | 124.5 | 50% | 0.496 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -98.6 | -8.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | F67 S68 | F67-A70 PolarHBondContact O-N 3.39Å; S68-A70 VanDerWaalsContact C-N 3.33Å |
| 71 | S | 50.7 | Low | 49 | Very low | 83 Ų | 83 | 122 Ų | 122 | 58% | 0.58 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -103.2 | -0.9 | -166.5 | -74.7 | 0 | 0 | 0 | 0 | 117.3 | ||
| 72 | S | 50.3 | Low | 49 | Very low | 116 Ų | 116 | 123.5 Ų | 123.5 | 81% | 0.811 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -124.3 | 42.7 | 179.7 | 57.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 73 | A | 47.2 | Very low | 49 | Very low | 73 Ų | 73 | 118 Ų | 118 | 60% | 0.603 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -154.4 | 13.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | K75 | A73-K75 VanDerWaalsContact C-N 3.33Å; A73-K75 PolarHBondContact O-N 3.1Å |
| 74 | T | 46.3 | Very low | 49.3 | Very low | 117 Ų | 117 | 119 Ų | 119 | 72% | 0.718 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 12 | -171 | 41.8 | 0 | 0 | 0 | 0 | 116.5 | ||
| 75 | K | 50.4 | Low | 49.4 | Very low | 191 Ų | 191 | 116.7 Ų | 116.7 | 83% | 0.83 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 9.9 | 179.3 | -80.2 | -177.6 | 178 | 170.9 | 0 | 116.7 | A73 | A73-K75 VanDerWaalsContact C-N 3.33Å; A73-K75 PolarHBondContact O-N 3.1Å |
| 76 | K | 51.5 | Low | 49.7 | Very low | 196 Ų | 196 | 115 Ų | 115 | 85% | 0.852 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -136.8 | 15.9 | 178.6 | -74.3 | -74 | -179.6 | 172.3 | 0 | 116.7 | ||
| 77 | L | 45.3 | Very low | 49.8 | Very low | 125 Ų | 125 | 112.1 Ų | 112.1 | 65% | 0.654 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -121.1 | 4.8 | 174.8 | -70 | 175.5 | 0 | 0 | 0 | 115.3 | E79 | L77-E79 PolarHBondContact O-N 3.09Š|
| 78 | S | 44.1 | Very low | 50 | Low | 97 Ų | 97 | 109.1 Ų | 109.1 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -18.9 | -176.6 | 58.8 | 0 | 0 | 0 | 0 | 114.9 | ||
| 79 | E | 46.7 | Very low | 50.5 | Low | 185 Ų | 185 | 112.7 Ų | 112.7 | 86% | 0.864 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -12.9 | 178.1 | -77.2 | -178.3 | 152.4 | 0 | 0 | 113.8 | L77 | L77-E79 PolarHBondContact O-N 3.09Š|
| 80 | S | 46.7 | Very low | 51.3 | Low | 85 Ų | 85 | 109.9 Ų | 109.9 | 59% | 0.594 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -95.7 | -2.1 | -175 | -166 | 0 | 0 | 0 | 0 | 115 | T84 | S80-T84 PolarHBondContact O-OG1 3.11Š|
| 81 | V | 47.7 | Very low | 51.4 | Low | 100 Ų | 100 | 108.2 Ų | 108.2 | 61% | 0.606 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -100.3 | -23.8 | -179.7 | 175.5 | 0 | 0 | 0 | 0 | 112.6 | G83 T84 A85 | V81-G83 VanDerWaalsContact C-N 3.34Å; V81-G83 PolarHBondContact O-N 3.33Å; V81-T84 PolarHBondContact O-N 2.87Å; V81-A85 PolarHBondContact O-N 3.28Å |
| 82 | V | 51 | Low | 51.5 | Low | 94 Ų | 94 | 108.2 Ų | 108.2 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70.3 | -32.7 | 178.3 | -178.4 | 0 | 0 | 0 | 0 | 111.5 | Q86 | V82-Q86 PolarHBondContact O-N 3.43Å |
| 83 | G | 51 | Low | 51.7 | Low | 43 Ų | 43 | 110.6 Ų | 110.6 | 44% | 0.443 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.8 | -42.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V81 Q86 T87 | V81-G83 VanDerWaalsContact C-N 3.34Å; V81-G83 PolarHBondContact O-N 3.33Å; G83-Q86 PolarHBondContact O-N 3.34Å; G83-T87 PolarHBondContact O-N 3.45Å; G83-T87 VanDerWaalsContact O-N 3.09Å; G83-T87 PolarHBondContact O-OG1 3.27Å |
| 84 | T | 53 | Low | 52.2 | Low | 78 Ų | 78 | 113.5 Ų | 113.5 | 48% | 0.479 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -69.2 | -36.9 | -177.6 | -39.9 | 0 | 0 | 0 | 0 | 112.3 | S80 V81 Q86 T87 I88 | S80-T84 PolarHBondContact O-OG1 3.11Å; V81-T84 PolarHBondContact O-N 2.87Å; T84-Q86 PolarHBondContact O-N 2.94Å; T84-T87 PolarHBondContact O-N 3.06Å; T84-I88 HydrophobicContact CG2-CD1 4Å; T84-I88 HydrophobicContact CG2-CG1 4.45Å; T84-I88 WeakPolarHBondContact O-CB 3.3Å; T84-I88 WeakPolarHBondContact O-CD1 3.37Å; T84-I88 WeakPolarHBondContact O-CG1 3.44Å; T84-I88 PolarHBondContact O-N 3.15Å |
| 85 | A | 52.5 | Low | 52.6 | Low | 62 Ų | 62 | 111 Ų | 111 | 51% | 0.512 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.5 | -36.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V81 K89 | V81-A85 PolarHBondContact O-N 3.28Å; A85-K89 PolarHBondContact O-N 2.87Å; A85-K89 VanDerWaalsContact O-N 3.12Å |
| 86 | Q | 56 | Low | 53 | Low | 142 Ų | 142 | 109.3 Ų | 109.3 | 66% | 0.664 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.2 | -35.5 | 175.6 | -68.6 | -172.4 | -1.6 | 0 | 0 | 112.1 | V82 G83 T84 K89 K90 | V82-Q86 PolarHBondContact O-N 3.43Å; G83-Q86 PolarHBondContact O-N 3.34Å; T84-Q86 PolarHBondContact O-N 2.94Å; Q86-K89 PolarHBondContact O-N 3.08Å; Q86-K90 WeakPolarHBondContact O-CB 3.46Å; Q86-K90 PolarHBondContact O-N 2.96Å |
| 87 | T | 55.6 | Low | 53.5 | Low | 81 Ų | 81 | 103.8 Ų | 103.8 | 50% | 0.497 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.8 | -42 | 172.8 | -51.9 | 0 | 0 | 0 | 0 | 111.5 | G83 T84 K89 K90 T91 | G83-T87 PolarHBondContact O-N 3.45Å; G83-T87 VanDerWaalsContact O-N 3.09Å; G83-T87 PolarHBondContact O-OG1 3.27Å; T84-T87 PolarHBondContact O-N 3.06Å; T87-K89 VanDerWaalsContact C-N 3.32Å; T87-K89 PolarHBondContact O-N 3.01Å; T87-K90 PolarHBondContact O-N 3Å; T87-T91 VanDerWaalsContact O-CB 3.28Å; T87-T91 WeakPolarHBondContact O-CB 3.45Å; T87-T91 PolarHBondContact O-N 3.23Å; T87-T91 PolarHBondContact O-OG1 3.17Å |
| 88 | I | 57.3 | Low | 54.2 | Low | 86 Ų | 86 | 103.8 Ų | 103.8 | 44% | 0.441 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.5 | -43.2 | 174.6 | -68.6 | 161.6 | 0 | 0 | 0 | 110.7 | T84 T91 V92 | T84-I88 HydrophobicContact CG2-CD1 4Å; T84-I88 HydrophobicContact CG2-CG1 4.45Å; T84-I88 WeakPolarHBondContact O-CB 3.3Å; T84-I88 WeakPolarHBondContact O-CD1 3.37Å; T84-I88 WeakPolarHBondContact O-CG1 3.44Å; T84-I88 PolarHBondContact O-N 3.15Å; I88-T91 PolarHBondContact O-N 3.11Å; I88-V92 WeakPolarHBondContact O-CB 3.45Å; I88-V92 PolarHBondContact O-N 3.47Å |
| 89 | K | 60.9 | Low | 55.1 | Low | 158 Ų | 158 | 100.5 Ų | 100.5 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.9 | -41 | 177.5 | -166.2 | -173.9 | 178.2 | -168.9 | 0 | 112.6 | A85 Q86 T87 | A85-K89 PolarHBondContact O-N 2.87Å; A85-K89 VanDerWaalsContact O-N 3.12Å; Q86-K89 PolarHBondContact O-N 3.08Å; T87-K89 VanDerWaalsContact C-N 3.32Å; T87-K89 PolarHBondContact O-N 3.01Å |
| 90 | K | 61.9 | Low | 55.8 | Low | 135 Ų | 135 | 94.2 Ų | 94.2 | 59% | 0.587 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -71.7 | -33 | 177.9 | -172.2 | 176 | 175.6 | 178.6 | 0 | 112.5 | Q86 T87 E93 E94 | Q86-K90 WeakPolarHBondContact O-CB 3.46Å; Q86-K90 PolarHBondContact O-N 2.96Å; T87-K90 PolarHBondContact O-N 3Å; K90-E93 WeakPolarHBondContact O-CB 3.38Å; K90-E93 PolarHBondContact O-N 3.31Å; K90-E94 PolarHBondContact O-N 3.42Å |
| 91 | T | 52.3 | Low | 56.7 | Low | 26 Ų | 26 | 93.2 Ų | 93.2 | 16% | 0.16 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -88.5 | -20.7 | -177 | -49.5 | 0 | 0 | 0 | 0 | 113.1 | T87 I88 E93 E94 G95 I100 | T87-T91 VanDerWaalsContact O-CB 3.28Å; T87-T91 WeakPolarHBondContact O-CB 3.45Å; T87-T91 PolarHBondContact O-N 3.23Å; T87-T91 PolarHBondContact O-OG1 3.17Å; I88-T91 PolarHBondContact O-N 3.11Å; T91-E93 VanDerWaalsContact C-N 3.25Å; T91-E94 PolarHBondContact O-N 3.04Å; T91-G95 PolarHBondContact O-N 3.11Å; T91-I100 HydrophobicContact CG2-CD1 3.64Å |
| 92 | V | 54 | Low | 57.5 | Low | 83 Ų | 83 | 93.8 Ų | 93.8 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.3 | -34.1 | 163.4 | 104 | 0 | 0 | 0 | 0 | 110.8 | I88 E94 G95 I97 | I88-V92 WeakPolarHBondContact O-CB 3.45Å; I88-V92 PolarHBondContact O-N 3.47Å; V92-E94 VanDerWaalsContact C-N 3.34Å; V92-G95 PolarHBondContact O-N 3.47Å; V92-I97 HydrophobicContact CG2-CD1 3.63Å; V92-I97 HydrophobicContact CG2-CG1 4.14Å |
| 93 | E | 54.7 | Low | 58.3 | Low | 165 Ų | 165 | 97.9 Ų | 97.9 | 77% | 0.771 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73 | -27.2 | 176.3 | -157.5 | 172.1 | -177.4 | 0 | 0 | 111.8 | K90 T91 | K90-E93 WeakPolarHBondContact O-CB 3.38Å; K90-E93 PolarHBondContact O-N 3.31Å; T91-E93 VanDerWaalsContact C-N 3.25Å |
| 94 | E | 57.9 | Low | 59.4 | Low | 134 Ų | 134 | 99 Ų | 99 | 63% | 0.626 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 2.3 | 175.6 | -74 | 174.8 | 167.7 | 0 | 0 | 114.4 | K90 T91 V92 K96 | K90-E94 PolarHBondContact O-N 3.42Å; T91-E94 PolarHBondContact O-N 3.04Å; V92-E94 VanDerWaalsContact C-N 3.34Å; E94-K96 VanDerWaalsContact C-N 3.34Å; E94-K96 PolarHBondContact O-N 3.43Å |
| 95 | G | 53.7 | Low | 60.3 | Low | 65 Ų | 65 | 101.9 Ų | 101.9 | 67% | 0.67 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.7 | 18.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | T91 V92 | T91-G95 PolarHBondContact O-N 3.11Å; V92-G95 PolarHBondContact O-N 3.47Å |
| 96 | K | 59.3 | Low | 61.2 | Low | 156 Ų | 156 | 103.6 Ų | 103.6 | 68% | 0.678 | 54% | 0.536 | S | S | * | . | trans | -114.3 | 55.1 | -177.4 | -153.3 | 177.4 | -171 | -175.7 | 0 | 112.4 | E94 | E94-K96 VanDerWaalsContact C-N 3.34Å; E94-K96 PolarHBondContact O-N 3.43Å | ||
| 97 | I | 61.4 | Low | 62.2 | Low | 80 Ų | 80 | 97 Ų | 97 | 41% | 0.41 | 51% | 0.507 | S | S | . | . | trans | -75.5 | -31 | -172.1 | -48.3 | 176 | 0 | 0 | 0 | 111.7 | V92 G99 I100 I101 | V92-I97 HydrophobicContact CG2-CD1 3.63Å; V92-I97 HydrophobicContact CG2-CG1 4.14Å; I97-G99 VanDerWaalsContact C-N 3.3Å; I97-G99 PolarHBondContact O-N 3.12Å; I97-I100 PolarHBondContact O-N 3.1Å; I97-I100 VanDerWaalsContact O-N 3.12Å; I97-I101 HydrophobicContact CG2-CD1 3.89Å; I97-I101 HydrophobicContact CG2-CG1 4.29Å; I97-I101 WeakPolarHBondContact O-CG1 3.46Å; I97-I101 PolarHBondContact O-N 3.32Å | ||
| 98 | D | 60.1 | Low | 63.2 | Low | 125 Ų | 125 | 97.2 Ų | 97.2 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -55.6 | -43.8 | 178.6 | -72.8 | -23.5 | 0 | 0 | 0 | 112.2 | I100 I101 D102 | D98-I100 PolarHBondContact O-N 3.45Å; D98-I100 VanDerWaalsContact O-N 3.14Å; D98-I101 PolarHBondContact O-N 3.48Å; D98-D102 PolarHBondContact O-N 3.06Å; D98-D102 VanDerWaalsContact O-N 3.13Å |
| 99 | G | 63.2 | Low | 64.4 | Low | 27 Ų | 27 | 98.6 Ų | 98.6 | 28% | 0.278 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72 | -8.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | I97 K103 | I97-G99 VanDerWaalsContact C-N 3.3Å; I97-G99 PolarHBondContact O-N 3.12Å; G99-K103 WeakPolarHBondContact O-CD 3.39Å; G99-K103 WeakPolarHBondContact O-CE 3.25Å; G99-K103 VanDerWaalsContact O-CG 3.29Å; G99-K103 WeakPolarHBondContact O-CG 3.24Å |
| 100 | I | 62.4 | Low | 65.1 | Low | 53 Ų | 53 | 96.1 Ų | 96.1 | 27% | 0.272 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -98.3 | -38 | 173.9 | -63.7 | 170.8 | 0 | 0 | 0 | 110.1 | T91 I97 D98 D102 K103 T104 | T91-I100 HydrophobicContact CG2-CD1 3.64Å; I97-I100 PolarHBondContact O-N 3.1Å; I97-I100 VanDerWaalsContact O-N 3.12Å; D98-I100 PolarHBondContact O-N 3.45Å; D98-I100 VanDerWaalsContact O-N 3.14Å; I100-D102 VanDerWaalsContact C-N 3.32Å; I100-D102 PolarHBondContact O-N 3.5Å; I100-K103 PolarHBondContact O-N 3.45Å; I100-T104 WeakPolarHBondContact O-CB 3.48Å; I100-T104 PolarHBondContact O-N 3.46Å; I100-T104 VanDerWaalsContact O-N 3.07Å; I100-T104 PolarHBondContact O-OG1 3.34Å |
| 101 | I | 64.3 | Low | 66.2 | Low | 65 Ų | 65 | 96.6 Ų | 96.6 | 33% | 0.333 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 176 | -64.3 | 165.7 | 0 | 0 | 0 | 108.7 | I97 D98 K103 T104 G107 | I97-I101 HydrophobicContact CG2-CD1 3.89Å; I97-I101 HydrophobicContact CG2-CG1 4.29Å; I97-I101 WeakPolarHBondContact O-CG1 3.46Å; I97-I101 PolarHBondContact O-N 3.32Å; D98-I101 PolarHBondContact O-N 3.48Å; I101-K103 PolarHBondContact O-N 3.42Å; I101-K103 VanDerWaalsContact O-N 3.12Å; I101-T104 PolarHBondContact O-N 3.22Å; I101-T104 VanDerWaalsContact O-N 3.15Å; I101-G107 WeakPolarHBondContact O-CA 3.37Å; I101-G107 PolarHBondContact O-N 3.34Å |
| 102 | D | 64.8 | Low | 67.5 | Low | 112 Ų | 112 | 101.8 Ų | 101.8 | 60% | 0.599 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.1 | 178.5 | -66.6 | -18.4 | 0 | 0 | 0 | 114.9 | D98 I100 | D98-D102 PolarHBondContact O-N 3.06Å; D98-D102 VanDerWaalsContact O-N 3.13Å; I100-D102 VanDerWaalsContact C-N 3.32Å; I100-D102 PolarHBondContact O-N 3.5Å |
| 103 | K | 69 | Low | 68.6 | Low | 179 Ų | 179 | 102.7 Ų | 102.7 | 78% | 0.778 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.1 | -7.5 | -178.4 | -64.8 | -179.3 | -171.6 | 178.1 | 0 | 113.6 | G99 I100 I101 | G99-K103 WeakPolarHBondContact O-CD 3.39Å; G99-K103 WeakPolarHBondContact O-CE 3.25Å; G99-K103 VanDerWaalsContact O-CG 3.29Å; G99-K103 WeakPolarHBondContact O-CG 3.24Å; I100-K103 PolarHBondContact O-N 3.45Å; I101-K103 PolarHBondContact O-N 3.42Å; I101-K103 VanDerWaalsContact O-N 3.12Å |
| 104 | T | 73.9 | Confident | 69.8 | Low | 68 Ų | 68 | 100.2 Ų | 100.2 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -100.5 | 158.8 | -179.8 | -56.4 | 0 | 0 | 0 | 0 | 108.4 | I100 I101 L106 G107 D108 | I100-T104 WeakPolarHBondContact O-CB 3.48Å; I100-T104 PolarHBondContact O-N 3.46Å; I100-T104 VanDerWaalsContact O-N 3.07Å; I100-T104 PolarHBondContact O-OG1 3.34Å; I101-T104 PolarHBondContact O-N 3.22Å; I101-T104 VanDerWaalsContact O-N 3.15Å; T104-L106 PolarHBondContact O-N 3.02Å; T104-G107 PolarHBondContact O-N 3.17Å; T104-D108 PolarHBondContact O-N 2.95Å |
| 105 | I | 70.6 | Confident | 71 | Confident | 137 Ų | 137 | 100.6 Ų | 100.6 | 70% | 0.703 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -45.5 | -27.2 | 175.7 | -54.2 | -58.8 | 0 | 0 | 0 | 113.2 | F109 | I105-F109 VanDerWaalsContact O-CB 3.29Å; I105-F109 WeakPolarHBondContact O-CB 3.49Å; I105-F109 PolarHBondContact O-N 3.29Å |
| 106 | L | 71.3 | Confident | 72.3 | Confident | 98 Ų | 98 | 103.1 Ų | 103.1 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.5 | -34.8 | 176.4 | -169 | 61.3 | 0 | 0 | 0 | 114.3 | T104 H110 | T104-L106 PolarHBondContact O-N 3.02Å; L106-H110 WeakPolarHBondContact O-CB 3.39Å; L106-H110 PolarHBondContact O-N 3.06Å; L106-H110 PolarHBondContact O-ND1 3.34Å |
| 107 | G | 77.3 | Confident | 73.2 | Confident | 5 Ų | 5 | 98.5 Ų | 98.5 | 5% | 0.052 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -76.3 | -36.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I101 T104 F109 H110 K111 | I101-G107 WeakPolarHBondContact O-CA 3.37Å; I101-G107 PolarHBondContact O-N 3.34Å; T104-G107 PolarHBondContact O-N 3.17Å; G107-F109 VanDerWaalsContact C-N 3.34Å; G107-H110 PolarHBondContact O-N 3.47Å; G107-K111 WeakPolarHBondContact O-CB 3.34Å; G107-K111 PolarHBondContact O-N 3.17Å |
| 108 | D | 77.2 | Confident | 73.8 | Confident | 84 Ų | 84 | 99.8 Ų | 99.8 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 170.1 | -72.5 | -30.6 | 0 | 0 | 0 | 110.9 | T104 K111 E112 | T104-D108 PolarHBondContact O-N 2.95Å; D108-K111 PolarHBondContact O-N 3.21Å; D108-E112 VanDerWaalsContact O-CB 3.23Å; D108-E112 WeakPolarHBondContact O-CB 3.34Å; D108-E112 PolarHBondContact O-N 3.01Å |
| 109 | F | 82.1 | Confident | 74.4 | Confident | 115 Ų | 115 | 98.1 Ų | 98.1 | 50% | 0.504 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.5 | -43.4 | 173.4 | -179.7 | -99.4 | 0 | 0 | 0 | 112.6 | I105 G107 K111 E112 Q113 | I105-F109 VanDerWaalsContact O-CB 3.29Å; I105-F109 WeakPolarHBondContact O-CB 3.49Å; I105-F109 PolarHBondContact O-N 3.29Å; G107-F109 VanDerWaalsContact C-N 3.34Å; F109-K111 VanDerWaalsContact C-N 3.34Å; F109-K111 PolarHBondContact O-N 3.26Å; F109-E112 PolarHBondContact O-N 3.32Å; F109-Q113 VanDerWaalsContact O-CB 3.25Å; F109-Q113 WeakPolarHBondContact O-CB 3.31Å; F109-Q113 PolarHBondContact O-N 3.09Å |
| 110 | H | 75.6 | Confident | 74.7 | Confident | 106 Ų | 106 | 102 Ų | 102 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 175.7 | -92.2 | 75.3 | 0 | 0 | 0 | 112 | L106 G107 E112 Q113 E114 | L106-H110 WeakPolarHBondContact O-CB 3.39Å; L106-H110 PolarHBondContact O-N 3.06Å; L106-H110 PolarHBondContact O-ND1 3.34Å; G107-H110 PolarHBondContact O-N 3.47Å; H110-E112 VanDerWaalsContact C-N 3.34Å; H110-Q113 PolarHBondContact O-N 3.26Å; H110-E114 WeakPolarHBondContact O-CB 3.28Å; H110-E114 PolarHBondContact O-N 3.47Å |
| 111 | K | 84.3 | Confident | 74.6 | Confident | 145 Ų | 145 | 105.9 Ų | 105.9 | 63% | 0.63 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.4 | -36.4 | 176.8 | -173.5 | 178.8 | -178.6 | -176.2 | 0 | 111.5 | G107 D108 F109 K115 | G107-K111 WeakPolarHBondContact O-CB 3.34Å; G107-K111 PolarHBondContact O-N 3.17Å; D108-K111 PolarHBondContact O-N 3.21Å; F109-K111 VanDerWaalsContact C-N 3.34Å; F109-K111 PolarHBondContact O-N 3.26Å; K111-K115 WeakPolarHBondContact O-CB 3.29Å; K111-K115 PolarHBondContact O-N 3.02Å |
| 112 | E | 80.3 | Confident | 74.4 | Confident | 135 Ų | 135 | 105.3 Ų | 105.3 | 63% | 0.631 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.6 | -37.6 | 174.8 | -170.8 | 165.2 | -136.8 | 0 | 0 | 111.8 | D108 F109 H110 K115 F116 | D108-E112 VanDerWaalsContact O-CB 3.23Å; D108-E112 WeakPolarHBondContact O-CB 3.34Å; D108-E112 PolarHBondContact O-N 3.01Å; F109-E112 PolarHBondContact O-N 3.32Å; H110-E112 VanDerWaalsContact C-N 3.34Å; E112-K115 PolarHBondContact O-N 3.13Å; E112-F116 VanDerWaalsContact O-CB 3.27Å; E112-F116 WeakPolarHBondContact O-CB 3.48Å; E112-F116 PolarHBondContact O-N 3.07Å |
| 113 | Q | 77.8 | Confident | 74.1 | Confident | 102 Ų | 102 | 105.8 Ų | 105.8 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -44.9 | 171.4 | -175.8 | 179.6 | -9.9 | 0 | 0 | 111 | F109 H110 F116 V117 | F109-Q113 VanDerWaalsContact O-CB 3.25Å; F109-Q113 WeakPolarHBondContact O-CB 3.31Å; F109-Q113 PolarHBondContact O-N 3.09Å; H110-Q113 PolarHBondContact O-N 3.26Å; Q113-F116 PolarHBondContact O-N 3.37Å; Q113-V117 VanDerWaalsContact O-CG2 3.31Å; Q113-V117 WeakPolarHBondContact O-CG2 3.47Å; Q113-V117 PolarHBondContact O-N 3.4Å |
| 114 | E | 79.5 | Confident | 73.4 | Confident | 114 Ų | 114 | 102.7 Ų | 102.7 | 53% | 0.533 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65 | -43.7 | 175.6 | -165.4 | -171.7 | 172 | 0 | 0 | 110.8 | H110 F116 V117 Q118 | H110-E114 WeakPolarHBondContact O-CB 3.28Å; H110-E114 PolarHBondContact O-N 3.47Å; E114-F116 VanDerWaalsContact C-N 3.31Å; E114-F116 PolarHBondContact O-N 3.12Å; E114-V117 CarbonylContact O-C 3.59Å; E114-V117 PolarHBondContact O-N 3.49Å; E114-Q118 HydrophobicContact CG-CG 4.42Å; E114-Q118 WeakPolarHBondContact O-CB 3.29Å; E114-Q118 VanDerWaalsContact O-CG 3.26Å; E114-Q118 WeakPolarHBondContact O-CG 3.41Å; E114-Q118 PolarHBondContact O-N 3.01Å; E114-Q118 PolarHBondContact OE1-NE2 3.33Å |
| 115 | K | 83.8 | Confident | 72 | Confident | 141 Ų | 141 | 103.9 Ų | 103.9 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -37.9 | 175.3 | -170.5 | -177.7 | 178.5 | -166.3 | 0 | 111.6 | K111 E112 Q118 E119 | K111-K115 WeakPolarHBondContact O-CB 3.29Å; K111-K115 PolarHBondContact O-N 3.02Å; E112-K115 PolarHBondContact O-N 3.13Å; K115-Q118 PolarHBondContact O-N 3.21Å; K115-E119 WeakPolarHBondContact O-CB 3.37Å; K115-E119 PolarHBondContact O-N 3.27Å |
| 116 | F | 80.2 | Confident | 71 | Confident | 118 Ų | 118 | 105.7 Ų | 105.7 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.8 | -42.8 | 174.2 | 179.6 | -100.3 | 0 | 0 | 0 | 111.7 | E112 Q113 E114 Q118 E119 K120 | E112-F116 VanDerWaalsContact O-CB 3.27Å; E112-F116 WeakPolarHBondContact O-CB 3.48Å; E112-F116 PolarHBondContact O-N 3.07Å; Q113-F116 PolarHBondContact O-N 3.37Å; E114-F116 VanDerWaalsContact C-N 3.31Å; E114-F116 PolarHBondContact O-N 3.12Å; F116-Q118 VanDerWaalsContact C-N 3.34Å; F116-E119 PolarHBondContact O-N 3.18Å; F116-K120 HydrophobicContact CD1-CG 4.29Å; F116-K120 HydrophobicContact CE1-CG 3.99Å; F116-K120 HydrophobicContact CE2-CG 4.44Å; F116-K120 HydrophobicContact CZ-CD 4.39Å; F116-K120 HydrophobicContact CZ-CG 4.08Å; F116-K120 WeakPolarHBondContact O-CB 3.14Å; F116-K120 VanDerWaalsContact O-CG 3.25Å; F116-K120 WeakPolarHBondContact O-CG 3.47Å; F116-K120 PolarHBondContact O-N 3.39Å |
| 117 | V | 78.5 | Confident | 70.2 | Confident | 60 Ų | 60 | 102.5 Ų | 102.5 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 174.4 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | Q113 E114 K120 K121 | Q113-V117 VanDerWaalsContact O-CG2 3.31Å; Q113-V117 WeakPolarHBondContact O-CG2 3.47Å; Q113-V117 PolarHBondContact O-N 3.4Å; E114-V117 CarbonylContact O-C 3.59Å; E114-V117 PolarHBondContact O-N 3.49Å; V117-K120 PolarHBondContact O-N 2.85Å; V117-K121 HydrophobicContact CG1-CD 4.06Å; V117-K121 HydrophobicContact CG1-CG 4.49Å; V117-K121 VanDerWaalsContact O-CB 3.31Å; V117-K121 WeakPolarHBondContact O-CB 3.43Å; V117-K121 VanDerWaalsContact O-CG 3.22Å; V117-K121 WeakPolarHBondContact O-CG 3.48Å; V117-K121 PolarHBondContact O-N 3.29Å |
| 118 | Q | 73.1 | Confident | 69.8 | Low | 107 Ų | 107 | 103.8 Ų | 103.8 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.2 | -38 | 176.5 | -73.3 | -177 | 27.6 | 0 | 0 | 111.7 | E114 K115 F116 K121 A122 | E114-Q118 HydrophobicContact CG-CG 4.42Å; E114-Q118 WeakPolarHBondContact O-CB 3.29Å; E114-Q118 VanDerWaalsContact O-CG 3.26Å; E114-Q118 WeakPolarHBondContact O-CG 3.41Å; E114-Q118 PolarHBondContact O-N 3.01Å; E114-Q118 PolarHBondContact OE1-NE2 3.33Å; K115-Q118 PolarHBondContact O-N 3.21Å; F116-Q118 VanDerWaalsContact C-N 3.34Å; Q118-K121 CarbonylContact O-C 3.49Å; Q118-K121 PolarHBondContact O-N 2.98Å; Q118-A122 WeakPolarHBondContact O-CB 3.49Å; Q118-A122 PolarHBondContact O-N 3.39Å |
| 119 | E | 73.3 | Confident | 69.9 | Low | 90 Ų | 90 | 104.5 Ų | 104.5 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 174.9 | -171.5 | -171.6 | 149.3 | 0 | 0 | 111 | K115 F116 K121 A122 K123 | K115-E119 WeakPolarHBondContact O-CB 3.37Å; K115-E119 PolarHBondContact O-N 3.27Å; F116-E119 PolarHBondContact O-N 3.18Å; E119-K121 VanDerWaalsContact C-N 3.32Å; E119-K121 PolarHBondContact O-N 3.01Å; E119-A122 PolarHBondContact O-N 3.48Å; E119-K123 HydrophobicContact CG-CD 4.34Å; E119-K123 WeakPolarHBondContact O-CB 3.3Å; E119-K123 VanDerWaalsContact O-CG 3.27Å; E119-K123 WeakPolarHBondContact O-CG 3.5Å; E119-K123 PolarHBondContact O-N 3.42Å; E119-K123 WeakPolarHBondContact OE1-CE 3.16Å; E119-K123 IonicContact OE1-NZ 3.06Å; E119-K123 PolarHBondContact OE1-NZ 2.65Å |
| 120 | K | 70.4 | Confident | 69.9 | Low | 107 Ų | 107 | 100 Ų | 100 | 47% | 0.465 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 170.3 | -74.9 | -73.9 | -175.1 | 174.2 | 0 | 111.2 | F116 V117 K124 | F116-K120 HydrophobicContact CD1-CG 4.29Å; F116-K120 HydrophobicContact CE1-CG 3.99Å; F116-K120 HydrophobicContact CE2-CG 4.44Å; F116-K120 HydrophobicContact CZ-CD 4.39Å; F116-K120 HydrophobicContact CZ-CG 4.08Å; F116-K120 WeakPolarHBondContact O-CB 3.14Å; F116-K120 VanDerWaalsContact O-CG 3.25Å; F116-K120 WeakPolarHBondContact O-CG 3.47Å; F116-K120 PolarHBondContact O-N 3.39Å; V117-K120 PolarHBondContact O-N 2.85Å; K120-K124 WeakPolarHBondContact O-CB 3.43Å; K120-K124 WeakPolarHBondContact O-CG 3.4Å; K120-K124 PolarHBondContact O-N 3.31Å |
| 121 | K | 59.8 | Low | 70.1 | Confident | 136 Ų | 136 | 95.3 Ų | 95.3 | 59% | 0.591 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -70.1 | -34.3 | 175.2 | -75.3 | 176.3 | -178.5 | -177.5 | 0 | 112.7 | V117 Q118 E119 K124 S125 | V117-K121 HydrophobicContact CG1-CD 4.06Å; V117-K121 HydrophobicContact CG1-CG 4.49Å; V117-K121 VanDerWaalsContact O-CB 3.31Å; V117-K121 WeakPolarHBondContact O-CB 3.43Å; V117-K121 VanDerWaalsContact O-CG 3.22Å; V117-K121 WeakPolarHBondContact O-CG 3.48Å; V117-K121 PolarHBondContact O-N 3.29Å; Q118-K121 CarbonylContact O-C 3.49Å; Q118-K121 PolarHBondContact O-N 2.98Å; E119-K121 VanDerWaalsContact C-N 3.32Å; E119-K121 PolarHBondContact O-N 3.01Å; K121-K124 CarbonylContact O-C 3.38Å; K121-K124 WeakPolarHBondContact O-CA 3.24Å; K121-K124 WeakPolarHBondContact O-CB 3.48Å; K121-K124 PolarHBondContact O-N 3.41Å; K121-S125 WeakPolarHBondContact O-CB 3.49Å; K121-S125 PolarHBondContact O-N 3.06Å; K121-S125 PolarHBondContact O-OG 3.18Å |
| 122 | A | 59.4 | Low | 70.2 | Confident | 52 Ų | 52 | 88.8 Ų | 88.8 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.5 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q118 E119 K124 S125 E126 | Q118-A122 WeakPolarHBondContact O-CB 3.49Å; Q118-A122 PolarHBondContact O-N 3.39Å; E119-A122 PolarHBondContact O-N 3.48Å; A122-K124 PolarHBondContact O-N 2.77Å; A122-S125 WeakPolarHBondContact CA-OG 3.25Å; A122-S125 PolarHBondContact O-N 3.42Å; A122-S125 PolarHBondContact O-OG 3.17Å; A122-E126 PolarHBondContact O-N 3.42Å |
| 123 | K | 59.7 | Low | 70.1 | Confident | 123 Ų | 123 | 85.5 Ų | 85.5 | 54% | 0.535 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.5 | -34.5 | 169.1 | -73.1 | 170.8 | 171.7 | 168.8 | 0 | 112.1 | E119 A127 | E119-K123 HydrophobicContact CG-CD 4.34Å; E119-K123 WeakPolarHBondContact O-CB 3.3Å; E119-K123 VanDerWaalsContact O-CG 3.27Å; E119-K123 WeakPolarHBondContact O-CG 3.5Å; E119-K123 PolarHBondContact O-N 3.42Å; E119-K123 WeakPolarHBondContact OE1-CE 3.16Å; E119-K123 IonicContact OE1-NZ 3.06Å; E119-K123 PolarHBondContact OE1-NZ 2.65Å; K123-A127 PolarHBondContact O-N 3.36Å |
| 124 | K | 54.4 | Low | 70 | Confident | 113 Ų | 113 | 84.1 Ų | 84.1 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -78.6 | -14.6 | 172.7 | -73 | 176.6 | 177.2 | -146 | 0 | 114.9 | K120 K121 A122 A127 E181 | K120-K124 WeakPolarHBondContact O-CB 3.43Å; K120-K124 WeakPolarHBondContact O-CG 3.4Å; K120-K124 PolarHBondContact O-N 3.31Å; K121-K124 CarbonylContact O-C 3.38Å; K121-K124 WeakPolarHBondContact O-CA 3.24Å; K121-K124 WeakPolarHBondContact O-CB 3.48Å; K121-K124 PolarHBondContact O-N 3.41Å; A122-K124 PolarHBondContact O-N 2.77Å; K124-A127 WeakPolarHBondContact O-CB 3.27Å; K124-E181 WeakPolarHBondContact CE-OE1 3.5Å; K124-E181 IonicContact NZ-OE1 2.69Å; K124-E181 PolarHBondContact NZ-OE1 3.07Å |
| 125 | S | 44.6 | Very low | 70 | Confident | 93 Ų | 93 | 81.1 Ų | 81.1 | 65% | 0.65 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -101.7 | -17 | 178 | 31.9 | 0 | 0 | 0 | 0 | 113 | K121 A122 | K121-S125 WeakPolarHBondContact O-CB 3.49Å; K121-S125 PolarHBondContact O-N 3.06Å; K121-S125 PolarHBondContact O-OG 3.18Å; A122-S125 WeakPolarHBondContact CA-OG 3.25Å; A122-S125 PolarHBondContact O-N 3.42Å; A122-S125 PolarHBondContact O-OG 3.17Å |
| 126 | E | 48.4 | Very low | 69.7 | Low | 175 Ų | 175 | 81.7 Ų | 81.7 | 82% | 0.818 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -69.9 | -23.8 | 154.2 | -170.3 | 174.9 | -176.2 | 0 | 0 | 111.3 | A122 | A122-E126 PolarHBondContact O-N 3.42Š|
| 127 | A | 55.3 | Low | 69.7 | Low | 32 Ų | 32 | 79.4 Ų | 79.4 | 26% | 0.264 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -73.1 | 139.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | K123 K124 V178 | K123-A127 PolarHBondContact O-N 3.36Å; K124-A127 WeakPolarHBondContact O-CB 3.27Å; A127-V178 HydrophobicContact CB-CG2 3.57Å |
| 128 | A | 68.9 | Low | 70.2 | Confident | 32 Ų | 32 | 80.1 Ų | 80.1 | 26% | 0.264 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 140.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P174 L175 V178 | A128-P174 HydrophobicContact CB-CB 3.95Å; A128-L175 HydrophobicContact CB-CB 4.26Å; A128-L175 HydrophobicContact CB-CD1 4.25Å; A128-V178 HydrophobicContact CB-CG2 4.48Å; A128-V178 WeakPolarHBondContact O-CG2 3.32Å |
| 129 | V | 77.8 | Confident | 70.8 | Confident | 98 Ų | 98 | 81.9 Ų | 81.9 | 59% | 0.594 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 134.1 | -179 | 180 | 0 | 0 | 0 | 0 | 110.3 | V133 L175 | V129-V133 HydrophobicContact CG1-CB 3.51Å; V129-V133 HydrophobicContact CG1-CG1 3.78Å; V129-V133 HydrophobicContact CG1-CG2 3.63Å; V129-L175 WeakPolarHBondContact O-CD1 3.31Å |
| 130 | P | 82.1 | Confident | 71.7 | Confident | 22 Ų | 22 | 80.3 Ų | 80.3 | 14% | 0.143 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -50.9 | 149 | 176 | -30.3 | 35.9 | 0 | 0 | 0 | 113.9 | W132 V133 V178 M179 E182 | P130-W132 HydrophobicContact CB-CD2 3.94Å; P130-W132 VanDerWaalsContact CB-CE2 3.49Å; P130-W132 HydrophobicContact CB-CE3 4.39Å; P130-W132 HydrophobicContact CB-CH2 4.14Å; P130-W132 HydrophobicContact CB-CZ2 3.63Å; P130-W132 HydrophobicContact CB-CZ3 4.48Å; P130-W132 HydrophobicContact CG-CZ2 4.27Å; P130-W132 PolarHBondContact O-N 3.36Å; P130-W132 VanDerWaalsContact O-N 3.1Å; P130-V133 HydrophobicContact CB-CG2 4.16Å; P130-V133 HydrophobicContact CG-CG2 4.5Å; P130-V133 PolarHBondContact O-N 3.5Å; P130-V178 HydrophobicContact CG-CG1 3.92Å; P130-M179 HydrophobicContact CB-CE 3.93Å; P130-M179 HydrophobicContact CG-CE 4.42Å; P130-E182 VanDerWaalsContact CG-OE1 3.32Å; P130-E182 WeakPolarHBondContact CG-OE1 3.21Å |
| 131 | P | 81.3 | Confident | 72.6 | Confident | 6 Ų | 6 | 75.3 Ų | 75.3 | 4% | 0.039 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.5 | -168.8 | 24.4 | -31.3 | 0 | 0 | 0 | 115.5 | I145 L175 M179 V211 K215 | P131-I145 HydrophobicContact CB-CD1 4.39Å; P131-I145 HydrophobicContact CG-CD1 4.03Å; P131-L175 HydrophobicContact CB-CD2 4.5Å; P131-M179 WeakPolarHBondContact CD-SD 3.33Å; P131-M179 HydrophobicContact CG-CE 4.37Å; P131-M179 HydrophobicContact CG-SD 3.62Å; P131-V211 HydrophobicContact CB-CG1 3.84Å; P131-V211 HydrophobicContact CG-CG1 4.06Å; P131-K215 HydrophobicContact CB-CD 4.2Å; P131-K215 VanDerWaalsContact O-CE 3.25Å; P131-K215 WeakPolarHBondContact O-CE 3.4Å; P131-K215 PolarHBondContact O-NZ 3.41Å |
| 132 | W | 85.1 | Confident | 74.2 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 3% | 0.03 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -12.1 | -179.4 | 50.8 | 79.3 | 0 | 0 | 0 | 114.8 | P130 Y135 E138 I141 Q142 I145 M179 E182 | P130-W132 HydrophobicContact CB-CD2 3.94Å; P130-W132 VanDerWaalsContact CB-CE2 3.49Å; P130-W132 HydrophobicContact CB-CE3 4.39Å; P130-W132 HydrophobicContact CB-CH2 4.14Å; P130-W132 HydrophobicContact CB-CZ2 3.63Å; P130-W132 HydrophobicContact CB-CZ3 4.48Å; P130-W132 HydrophobicContact CG-CZ2 4.27Å; P130-W132 PolarHBondContact O-N 3.36Å; P130-W132 VanDerWaalsContact O-N 3.1Å; W132-Y135 WeakPolarHBondContact O-CD2 3.23Å; W132-E138 HydrophobicContact CB-CG 4.35Å; W132-E138 HydrophobicContact CG-CG 4.35Å; W132-E138 WeakPolarHBondContact O-CG 3.31Å; W132-I141 HydrophobicContact CB-CB 4.06Å; W132-I141 HydrophobicContact CB-CG2 3.7Å; W132-Q142 HydrophobicContact CB-CB 4.37Å; W132-Q142 HydrophobicContact CD2-CB 3.85Å; W132-Q142 HydrophobicContact CD2-CG 3.91Å; W132-Q142 HydrophobicContact CE3-CB 4.3Å; W132-Q142 HydrophobicContact CE3-CG 4.26Å; W132-Q142 HydrophobicContact CG-CB 3.89Å; W132-Q142 HydrophobicContact CG-CG 4.4Å; W132-Q142 HydrophobicContact CH2-CG 4.16Å; W132-Q142 HydrophobicContact CZ2-CG 3.83Å; W132-Q142 HydrophobicContact CZ3-CG 4.38Å; W132-I145 HydrophobicContact CE3-CB 4.34Å; W132-I145 HydrophobicContact CE3-CD1 3.9Å; W132-I145 HydrophobicContact CE3-CG2 4.24Å; W132-I145 HydrophobicContact CZ3-CB 4.39Å; W132-I145 HydrophobicContact CZ3-CG2 3.92Å; W132-M179 HydrophobicContact CE3-CE 4.46Å; W132-M179 HydrophobicContact CH2-CE 3.27Å; W132-M179 HydrophobicContact CH2-SD 3.95Å; W132-M179 HydrophobicContact CZ2-CE 4.09Å; W132-M179 HydrophobicContact CZ3-CE 3.49Å; W132-M179 VanDerWaalsContact CZ3-CE 3.49Å; W132-M179 HydrophobicContact CZ3-SD 3.56Å; W132-M179 VanDerWaalsContact CZ3-SD 3.56Å; W132-E182 WeakPolarHBondContact CH2-OE2 3.39Å; W132-E182 WeakPolarHBondContact CZ2-OE2 3.44Å |
| 133 | V | 79.9 | Confident | 75.8 | Confident | 67 Ų | 67 | 75.8 Ų | 75.8 | 41% | 0.406 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | 134.3 | -178.6 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | V129 P130 | V129-V133 HydrophobicContact CG1-CB 3.51Å; V129-V133 HydrophobicContact CG1-CG1 3.78Å; V129-V133 HydrophobicContact CG1-CG2 3.63Å; P130-V133 HydrophobicContact CB-CG2 4.16Å; P130-V133 HydrophobicContact CG-CG2 4.5Å; P130-V133 PolarHBondContact O-N 3.5Å |
| 134 | G | 75.4 | Confident | 77.4 | Confident | 73 Ų | 73 | 74.4 Ų | 74.4 | 75% | 0.753 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.9 | 8.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 135 | Y | 79.4 | Confident | 79.4 | Confident | 50 Ų | 50 | 69 Ų | 69 | 20% | 0.196 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -102.9 | 149.6 | 171.4 | -68.3 | -88.1 | 0 | 0 | 0 | 110.9 | W132 E137 E138 I141 K215 Q219 | W132-Y135 WeakPolarHBondContact O-CD2 3.23Å; Y135-E137 PolarHBondContact O-N 2.9Å; Y135-E138 PolarHBondContact O-N 3.45Å; Y135-I141 HydrophobicContact CD1-CD1 3.96Å; Y135-I141 HydrophobicContact CD2-CD1 3.98Å; Y135-I141 HydrophobicContact CG-CD1 3.47Å; Y135-I141 VanDerWaalsContact CG-CD1 3.47Å; Y135-K215 HydrophobicContact CE2-CG 4.43Å; Y135-K215 WeakPolarHBondContact OH-CE 3.06Å; Y135-Q219 HydrophobicContact CD1-CG 4.25Å; Y135-Q219 HydrophobicContact CE1-CG 3.54Å |
| 136 | N | 77 | Confident | 81.7 | Confident | 153 Ų | 153 | 67.4 Ų | 67.4 | 82% | 0.818 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -27.8 | 178.6 | -60.5 | -59.1 | 0 | 0 | 0 | 112.7 | ||
| 137 | E | 80.9 | Confident | 84 | Confident | 71 Ų | 71 | 62 Ų | 62 | 33% | 0.332 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.4 | 42.1 | -177 | -57.6 | 176.1 | -179.9 | 0 | 0 | 111.4 | Y135 E139 T140 I141 | Y135-E137 PolarHBondContact O-N 2.9Å; E137-E139 VanDerWaalsContact C-N 3.33Å; E137-E139 PolarHBondContact O-N 3.19Å; E137-T140 HydrophobicContact CB-CG2 4.43Å; E137-T140 VanDerWaalsContact CB-OG1 3.3Å; E137-T140 WeakPolarHBondContact CB-OG1 3.25Å; E137-T140 PolarHBondContact O-N 3.07Å; E137-T140 PolarHBondContact O-OG1 3.09Å; E137-I141 WeakPolarHBondContact O-CG1 3.5Å; E137-I141 PolarHBondContact O-N 3.26Å; E137-I141 VanDerWaalsContact O-N 3.11Å |
| 138 | E | 87.3 | Confident | 85.8 | Confident | 74 Ų | 74 | 61.4 Ų | 61.4 | 35% | 0.346 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -48.4 | -48.6 | -174.2 | -178.4 | 165.6 | 167.5 | 0 | 0 | 113.6 | W132 Y135 T140 I141 Q142 | W132-E138 HydrophobicContact CB-CG 4.35Å; W132-E138 HydrophobicContact CG-CG 4.35Å; W132-E138 WeakPolarHBondContact O-CG 3.31Å; Y135-E138 PolarHBondContact O-N 3.45Å; E138-T140 VanDerWaalsContact C-N 3.33Å; E138-T140 PolarHBondContact O-N 3.42Å; E138-I141 PolarHBondContact O-N 2.91Å; E138-Q142 WeakPolarHBondContact O-CB 3.05Å; E138-Q142 PolarHBondContact O-N 3.09Å |
| 139 | E | 87.3 | Confident | 87.1 | Confident | 144 Ų | 144 | 60 Ų | 60 | 67% | 0.673 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61.9 | -39.1 | -179.6 | -66.9 | -172.8 | 172.2 | 0 | 0 | 112.6 | E137 Q142 Q143 | E137-E139 VanDerWaalsContact C-N 3.33Å; E137-E139 PolarHBondContact O-N 3.19Å; E139-Q142 PolarHBondContact O-N 3.25Å; E139-Q143 VanDerWaalsContact O-CG 3.28Å; E139-Q143 WeakPolarHBondContact O-CG 3.29Å; E139-Q143 PolarHBondContact O-N 3.49Å |
| 140 | T | 90.4 | Very high | 87.9 | Confident | 58 Ų | 58 | 59.3 Ų | 59.3 | 36% | 0.356 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -70.8 | -39.5 | -179.1 | 71.5 | 0 | 0 | 0 | 0 | 111.2 | E137 E138 Q143 Q144 | E137-T140 HydrophobicContact CB-CG2 4.43Å; E137-T140 VanDerWaalsContact CB-OG1 3.3Å; E137-T140 WeakPolarHBondContact CB-OG1 3.25Å; E137-T140 PolarHBondContact O-N 3.07Å; E137-T140 PolarHBondContact O-OG1 3.09Å; E138-T140 VanDerWaalsContact C-N 3.33Å; E138-T140 PolarHBondContact O-N 3.42Å; T140-Q143 PolarHBondContact O-N 3.33Å; T140-Q144 WeakPolarHBondContact O-CB 3.36Å; T140-Q144 VanDerWaalsContact O-CG 3.3Å; T140-Q144 WeakPolarHBondContact O-CG 3.21Å; T140-Q144 PolarHBondContact O-N 3.44Å |
| 141 | I | 90.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 177.5 | -63.3 | 169.6 | 0 | 0 | 0 | 109.4 | W132 Y135 E137 E138 Q144 I145 I214 A218 | W132-I141 HydrophobicContact CB-CB 4.06Å; W132-I141 HydrophobicContact CB-CG2 3.7Å; Y135-I141 HydrophobicContact CD1-CD1 3.96Å; Y135-I141 HydrophobicContact CD2-CD1 3.98Å; Y135-I141 HydrophobicContact CG-CD1 3.47Å; Y135-I141 VanDerWaalsContact CG-CD1 3.47Å; E137-I141 WeakPolarHBondContact O-CG1 3.5Å; E137-I141 PolarHBondContact O-N 3.26Å; E137-I141 VanDerWaalsContact O-N 3.11Å; E138-I141 PolarHBondContact O-N 2.91Å; I141-Q144 PolarHBondContact O-N 3.04Å; I141-I145 HydrophobicContact CG2-CD1 3.63Å; I141-I145 HydrophobicContact CG2-CG1 4.37Å; I141-I145 WeakPolarHBondContact O-CB 3.5Å; I141-I145 VanDerWaalsContact O-CG1 3.26Å; I141-I145 WeakPolarHBondContact O-CG1 3.39Å; I141-I145 PolarHBondContact O-N 3.23Å; I141-I214 HydrophobicContact CG2-CG2 4.05Å; I141-A218 HydrophobicContact CD1-CB 3.43Å; I141-A218 VanDerWaalsContact CD1-CB 3.43Å; I141-A218 HydrophobicContact CG1-CB 3.66Å |
| 142 | Q | 92.7 | Very high | 89.1 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 32% | 0.322 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -56.8 | -51.3 | 174.8 | -178.2 | -177.4 | 15.7 | 0 | 0 | 110.9 | W132 E138 E139 Q144 I145 L146 | W132-Q142 HydrophobicContact CB-CB 4.37Å; W132-Q142 HydrophobicContact CD2-CB 3.85Å; W132-Q142 HydrophobicContact CD2-CG 3.91Å; W132-Q142 HydrophobicContact CE3-CB 4.3Å; W132-Q142 HydrophobicContact CE3-CG 4.26Å; W132-Q142 HydrophobicContact CG-CB 3.89Å; W132-Q142 HydrophobicContact CG-CG 4.4Å; W132-Q142 HydrophobicContact CH2-CG 4.16Å; W132-Q142 HydrophobicContact CZ2-CG 3.83Å; W132-Q142 HydrophobicContact CZ3-CG 4.38Å; E138-Q142 WeakPolarHBondContact O-CB 3.05Å; E138-Q142 PolarHBondContact O-N 3.09Å; E139-Q142 PolarHBondContact O-N 3.25Å; Q142-Q144 VanDerWaalsContact C-N 3.33Å; Q142-Q144 PolarHBondContact O-N 3.31Å; Q142-I145 PolarHBondContact O-N 3.24Å; Q142-L146 HydrophobicContact CG-CD1 4.02Å; Q142-L146 HydrophobicContact CG-CG 4.46Å; Q142-L146 WeakPolarHBondContact O-CG 3.28Å; Q142-L146 PolarHBondContact O-N 2.9Å |
| 143 | Q | 93.8 | Very high | 89.5 | Confident | 130 Ų | 130 | 72.5 Ų | 72.5 | 61% | 0.607 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.1 | -43.2 | 178.5 | -73.7 | 174 | 7.7 | 0 | 0 | 112.3 | E139 T140 L146 A147 | E139-Q143 VanDerWaalsContact O-CG 3.28Å; E139-Q143 WeakPolarHBondContact O-CG 3.29Å; E139-Q143 PolarHBondContact O-N 3.49Å; T140-Q143 PolarHBondContact O-N 3.33Å; Q143-L146 PolarHBondContact O-N 2.85Å; Q143-A147 VanDerWaalsContact O-CB 3.31Å; Q143-A147 WeakPolarHBondContact O-CB 3.49Å; Q143-A147 PolarHBondContact O-N 3.38Å |
| 144 | Q | 93.8 | Very high | 90.2 | Very high | 94 Ų | 94 | 70.6 Ų | 70.6 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 177.9 | -74.3 | 178.6 | -19.5 | 0 | 0 | 112.3 | T140 I141 Q142 A147 L148 I214 | T140-Q144 WeakPolarHBondContact O-CB 3.36Å; T140-Q144 VanDerWaalsContact O-CG 3.3Å; T140-Q144 WeakPolarHBondContact O-CG 3.21Å; T140-Q144 PolarHBondContact O-N 3.44Å; I141-Q144 PolarHBondContact O-N 3.04Å; Q142-Q144 VanDerWaalsContact C-N 3.33Å; Q142-Q144 PolarHBondContact O-N 3.31Å; Q144-A147 PolarHBondContact O-N 2.79Å; Q144-L148 PolarHBondContact O-N 3.12Å; Q144-I214 HydrophobicContact CB-CD1 4.03Å; Q144-I214 HydrophobicContact CB-CG1 4.48Å; Q144-I214 HydrophobicContact CB-CG2 3.95Å; Q144-I214 VanDerWaalsContact OE1-CG2 3.31Å |
| 145 | I | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68 | -46 | 177.6 | -71.5 | 169 | 0 | 0 | 0 | 110.6 | P131 W132 I141 Q142 A147 L148 Y207 V211 I214 | P131-I145 HydrophobicContact CB-CD1 4.39Å; P131-I145 HydrophobicContact CG-CD1 4.03Å; W132-I145 HydrophobicContact CE3-CB 4.34Å; W132-I145 HydrophobicContact CE3-CD1 3.9Å; W132-I145 HydrophobicContact CE3-CG2 4.24Å; W132-I145 HydrophobicContact CZ3-CB 4.39Å; W132-I145 HydrophobicContact CZ3-CG2 3.92Å; I141-I145 HydrophobicContact CG2-CD1 3.63Å; I141-I145 HydrophobicContact CG2-CG1 4.37Å; I141-I145 WeakPolarHBondContact O-CB 3.5Å; I141-I145 VanDerWaalsContact O-CG1 3.26Å; I141-I145 WeakPolarHBondContact O-CG1 3.39Å; I141-I145 PolarHBondContact O-N 3.23Å; Q142-I145 PolarHBondContact O-N 3.24Å; I145-A147 VanDerWaalsContact C-N 3.26Å; I145-A147 PolarHBondContact O-N 3.39Å; I145-L148 WeakPolarHBondContact O-CB 3.48Å; I145-L148 WeakPolarHBondContact O-CG 3.29Å; I145-L148 PolarHBondContact O-N 3.09Å; I145-Y207 WeakPolarHBondContact CG2-OH 2.96Å; I145-V211 HydrophobicContact CD1-CG1 3.82Å; I145-V211 HydrophobicContact CG1-CG1 4.24Å; I145-V211 HydrophobicContact CG1-CG2 4.36Å; I145-V211 HydrophobicContact CG2-CG2 4.07Å; I145-I214 HydrophobicContact CG1-CD1 3.9Å; I145-I214 HydrophobicContact CG1-CG2 4.26Å |
| 146 | L | 94.1 | Very high | 91.8 | Very high | 59 Ų | 59 | 67.7 Ų | 67.7 | 31% | 0.309 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.8 | -35.3 | 175.6 | -67.6 | 174.6 | 0 | 0 | 0 | 112 | Q142 Q143 L148 S149 D183 | Q142-L146 HydrophobicContact CG-CD1 4.02Å; Q142-L146 HydrophobicContact CG-CG 4.46Å; Q142-L146 WeakPolarHBondContact O-CG 3.28Å; Q142-L146 PolarHBondContact O-N 2.9Å; Q143-L146 PolarHBondContact O-N 2.85Å; L146-L148 PolarHBondContact O-N 3.49Å; L146-S149 WeakPolarHBondContact O-CB 3.3Å; L146-S149 PolarHBondContact O-N 3.28Å; L146-D183 HydrophobicContact CD2-CB 3.7Å |
| 147 | A | 95.6 | Very high | 92.7 | Very high | 62 Ų | 62 | 68 Ų | 68 | 51% | 0.512 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.2 | -21.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q143 Q144 I145 S149 A150 | Q143-A147 VanDerWaalsContact O-CB 3.31Å; Q143-A147 WeakPolarHBondContact O-CB 3.49Å; Q143-A147 PolarHBondContact O-N 3.38Å; Q144-A147 PolarHBondContact O-N 2.79Å; I145-A147 VanDerWaalsContact C-N 3.26Å; I145-A147 PolarHBondContact O-N 3.39Å; A147-S149 PolarHBondContact O-N 3.23Å; A147-A150 WeakPolarHBondContact O-CB 3.27Å; A147-A150 PolarHBondContact O-N 3Å |
| 148 | L | 94.6 | Very high | 93.2 | Very high | 18 Ų | 18 | 68.8 Ų | 68.8 | 9% | 0.094 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -33.5 | 175.3 | -65.6 | 175.8 | 0 | 0 | 0 | 111.9 | Q144 I145 L146 A150 D151 N154 Y207 R210 V211 I214 | Q144-L148 PolarHBondContact O-N 3.12Å; I145-L148 WeakPolarHBondContact O-CB 3.48Å; I145-L148 WeakPolarHBondContact O-CG 3.29Å; I145-L148 PolarHBondContact O-N 3.09Å; L146-L148 PolarHBondContact O-N 3.49Å; L148-A150 PolarHBondContact O-N 3.14Å; L148-D151 PolarHBondContact O-N 3.07Å; L148-N154 WeakPolarHBondContact CA-ND2 3.27Å; L148-N154 PolarHBondContact O-ND2 2.78Å; L148-Y207 HydrophobicContact CB-CE2 4.08Å; L148-Y207 HydrophobicContact CD1-CD2 4.46Å; L148-Y207 HydrophobicContact CD1-CE2 4.12Å; L148-R210 HydrophobicContact CD1-CB 3.6Å; L148-R210 HydrophobicContact CD2-CB 3.81Å; L148-R210 HydrophobicContact CD2-CG 4.42Å; L148-R210 HydrophobicContact CG-CB 4.34Å; L148-V211 HydrophobicContact CD1-CG2 3.8Å; L148-I214 HydrophobicContact CD1-CD1 3.66Å; L148-I214 HydrophobicContact CD2-CD1 3.99Å; L148-I214 HydrophobicContact CG-CD1 3.84Å |
| 149 | S | 94.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 66.3 Ų | 66.3 | 1% | 0.014 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.9 | -177.6 | -56.9 | 0 | 0 | 0 | 0 | 113.7 | L146 A147 D183 L186 | L146-S149 WeakPolarHBondContact O-CB 3.3Å; L146-S149 PolarHBondContact O-N 3.28Å; A147-S149 PolarHBondContact O-N 3.23Å; S149-D183 WeakPolarHBondContact CB-OD2 3.16Å; S149-D183 PolarHBondContact OG-OD2 3.12Å; S149-L186 WeakPolarHBondContact OG-CB 3.24Å |
| 150 | A | 94.4 | Very high | 93.6 | Very high | 84 Ų | 84 | 63.1 Ų | 63.1 | 69% | 0.694 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -25.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A147 L148 | A147-A150 WeakPolarHBondContact O-CB 3.27Å; A147-A150 PolarHBondContact O-N 3Å; L148-A150 PolarHBondContact O-N 3.14Å |
| 151 | D | 95.1 | Very high | 93.4 | Very high | 67 Ų | 67 | 65.7 Ų | 65.7 | 36% | 0.358 | 35% | 0.354 | S | S | . | . | trans | -108.3 | 113.3 | -178.5 | -176.2 | 3.3 | 0 | 0 | 0 | 112.1 | L148 R153 N154 | L148-D151 PolarHBondContact O-N 3.07Å; D151-R153 PolarHBondContact O-N 2.86Å; D151-R153 VanDerWaalsContact O-N 3.1Å; D151-R153 VanDerWaalsContact OD1-CB 3.29Å; D151-R153 WeakPolarHBondContact OD1-CB 3.46Å; D151-R153 VanDerWaalsContact OD1-CG 3.32Å; D151-R153 WeakPolarHBondContact OD1-CG 3.41Å; D151-R153 PolarHBondContact OD1-N 3.38Å; D151-N154 WeakPolarHBondContact O-CB 3.45Å; D151-N154 PolarHBondContact O-N 3.38Å; D151-N154 VanDerWaalsContact O-N 3.11Å | ||
| 152 | K | 93.7 | Very high | 93 | Very high | 90 Ų | 90 | 69.1 Ų | 69.1 | 39% | 0.391 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.1 | -30.8 | 174.6 | -179.1 | 163.3 | 169.5 | 164.2 | 0 | 113.6 | N154 F155 L156 M189 L193 | K152-N154 PolarHBondContact O-N 3.41Å; K152-F155 PolarHBondContact O-N 2.96Å; K152-L156 HydrophobicContact CD-CD1 4.37Å; K152-L156 HydrophobicContact CG-CD1 3.86Å; K152-L156 HydrophobicContact CG-CG 4.3Å; K152-L156 PolarHBondContact O-N 3.34Å; K152-M189 HydrophobicContact CB-CE 3.64Å; K152-M189 HydrophobicContact CG-CE 4.09Å; K152-L193 HydrophobicContact CD-CD2 3.8Å; K152-L193 HydrophobicContact CG-CD1 4.06Å; K152-L193 HydrophobicContact CG-CD2 4.06Å |
| 153 | R | 94.5 | Very high | 92.8 | Very high | 157 Ų | 157 | 68.9 Ų | 68.9 | 59% | 0.592 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -65.9 | -25.7 | -177.8 | -63.2 | 170.2 | 173.9 | -179.8 | 0.9 | 112.5 | D151 F155 L156 R157 | D151-R153 PolarHBondContact O-N 2.86Å; D151-R153 VanDerWaalsContact O-N 3.1Å; D151-R153 VanDerWaalsContact OD1-CB 3.29Å; D151-R153 WeakPolarHBondContact OD1-CB 3.46Å; D151-R153 VanDerWaalsContact OD1-CG 3.32Å; D151-R153 WeakPolarHBondContact OD1-CG 3.41Å; D151-R153 PolarHBondContact OD1-N 3.38Å; R153-F155 PolarHBondContact O-N 2.96Å; R153-L156 PolarHBondContact O-N 2.87Å; R153-R157 WeakPolarHBondContact O-CB 3.45Å; R153-R157 PolarHBondContact O-N 3.48Å |
| 154 | N | 93.8 | Very high | 92.4 | Very high | 27 Ų | 27 | 72 Ų | 72 | 14% | 0.144 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64 | -27.5 | 178.2 | -71 | -36 | 0 | 0 | 0 | 112.7 | L148 D151 K152 R210 | L148-N154 WeakPolarHBondContact CA-ND2 3.27Å; L148-N154 PolarHBondContact O-ND2 2.78Å; D151-N154 WeakPolarHBondContact O-CB 3.45Å; D151-N154 PolarHBondContact O-N 3.38Å; D151-N154 VanDerWaalsContact O-N 3.11Å; K152-N154 PolarHBondContact O-N 3.41Å; N154-R210 HydrophobicContact CB-CG 4.2Å |
| 155 | F | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -90.5 | -31.8 | 179.5 | -53.7 | -67.1 | 0 | 0 | 0 | 113.2 | K152 R153 L186 M189 L193 F203 N206 Y207 | K152-F155 PolarHBondContact O-N 2.96Å; R153-F155 PolarHBondContact O-N 2.96Å; F155-L186 HydrophobicContact CE1-CD1 3.39Å; F155-L186 HydrophobicContact CZ-CD1 3.52Å; F155-M189 HydrophobicContact CD2-CB 4.49Å; F155-M189 HydrophobicContact CD2-CE 3.95Å; F155-M189 HydrophobicContact CE2-CB 3.94Å; F155-M189 HydrophobicContact CE2-CE 3.86Å; F155-M189 HydrophobicContact CE2-CG 4.14Å; F155-M189 HydrophobicContact CZ-CB 4.28Å; F155-L193 HydrophobicContact CB-CD1 3.78Å; F155-L193 HydrophobicContact CD2-CD1 3.78Å; F155-L193 HydrophobicContact CG-CD1 4.03Å; F155-F203 HydrophobicContact CB-CD2 3.78Å; F155-F203 HydrophobicContact CB-CE2 3.82Å; F155-F203 AromaticContact CD1-CD2 3.75Å; F155-F203 HydrophobicContact CD1-CD2 3.75Å; F155-F203 HydrophobicContact CD1-CE1 4.16Å; F155-F203 AromaticContact CD1-CE2 3.19Å; F155-F203 HydrophobicContact CD1-CE2 3.19Å; F155-F203 HydrophobicContact CD1-CG 4.44Å; F155-F203 AromaticContact CD1-CZ 3.43Å; F155-F203 HydrophobicContact CD1-CZ 3.43Å; F155-F203 VanDerWaalsContact CD1-CZ 3.43Å; F155-F203 HydrophobicContact CD2-CE2 4.22Å; F155-F203 HydrophobicContact CE1-CE1 4.26Å; F155-F203 AromaticContact CE1-CE2 3.72Å; F155-F203 HydrophobicContact CE1-CE2 3.72Å; F155-F203 AromaticContact CE1-CZ 3.49Å; F155-F203 HydrophobicContact CE1-CZ 3.49Å; F155-F203 VanDerWaalsContact CE1-CZ 3.49Å; F155-F203 AromaticContact CG-CD2 3.95Å; F155-F203 HydrophobicContact CG-CD2 3.95Å; F155-F203 AromaticContact CG-CE2 3.47Å; F155-F203 HydrophobicContact CG-CE2 3.47Å; F155-F203 VanDerWaalsContact CG-CE2 3.47Å; F155-F203 HydrophobicContact CG-CZ 4.14Å; F155-F203 HydrophobicContact CZ-CE2 4.42Å; F155-F203 HydrophobicContact CZ-CZ 4.26Å; F155-N206 WeakPolarHBondContact O-CB 3.48Å; F155-N206 PolarHBondContact O-ND2 3.27Å; F155-Y207 HydrophobicContact CD1-CD2 4.31Å; F155-Y207 AromaticContact CE1-CD2 3.51Å; F155-Y207 HydrophobicContact CE1-CD2 3.51Å; F155-Y207 HydrophobicContact CE1-CE2 4.3Å; F155-Y207 HydrophobicContact CE1-CG 4.08Å; F155-Y207 HydrophobicContact CZ-CD2 4.25Å |
| 156 | L | 94.1 | Very high | 91.9 | Very high | 62 Ų | 62 | 78.2 Ų | 78.2 | 33% | 0.325 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -90 | -25.2 | -174.6 | -59.9 | -178.8 | 0 | 0 | 0 | 113.8 | K152 R153 Q197 V198 | K152-L156 HydrophobicContact CD-CD1 4.37Å; K152-L156 HydrophobicContact CG-CD1 3.86Å; K152-L156 HydrophobicContact CG-CG 4.3Å; K152-L156 PolarHBondContact O-N 3.34Å; R153-L156 PolarHBondContact O-N 2.87Å; L156-Q197 HydrophobicContact CD2-CB 3.88Å; L156-V198 HydrophobicContact CD2-CG1 3.58Å; L156-V198 HydrophobicContact CD2-CG2 4.19Å |
| 157 | R | 94.6 | Very high | 91.7 | Very high | 158 Ų | 158 | 76.8 Ų | 76.8 | 60% | 0.596 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -90.4 | 114.5 | -178.7 | -72.4 | -171.9 | 172.8 | -164.4 | -1.7 | 111.2 | R153 R210 | R153-R157 WeakPolarHBondContact O-CB 3.45Å; R153-R157 PolarHBondContact O-N 3.48Å; R157-R210 PolarHBondContact O-NH2 3.35Å; R157-R210 VanDerWaalsContact O-NH2 3.17Å |
| 158 | D | 92.1 | Very high | 91.6 | Very high | 88 Ų | 88 | 77.5 Ų | 77.5 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 151.6 | 175.1 | -65 | -42.3 | 0 | 0 | 0 | 112.8 | V202 R205 N206 | D158-V202 WeakPolarHBondContact OD1-CG1 3.34Å; D158-R205 VanDerWaalsContact CG-NH2 3.31Å; D158-R205 IonicContact OD1-CZ 3.53Å; D158-R205 IonicContact OD1-NH2 3.31Å; D158-R205 PolarHBondContact OD1-NH2 3.01Å; D158-R205 IonicContact OD2-NH2 3.69Å; D158-N206 PolarHBondContact OD1-ND2 3.18Å; D158-N206 PolarHBondContact OD1-OD1 3.43Å; D158-N206 VanDerWaalsContact OD1-OD1 3.08Å |
| 159 | P | 91.6 | Very high | 91.4 | Very high | 23 Ų | 23 | 79.2 Ų | 79.2 | 15% | 0.149 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 141.3 | 167.8 | -23.6 | 31 | 0 | 0 | 0 | 110.9 | A161 V163 R205 N206 Y209 | P159-A161 PolarHBondContact O-N 3.31Å; P159-V163 HydrophobicContact CB-CG1 3.89Å; P159-R205 HydrophobicContact CG-CG 4.5Å; P159-N206 WeakPolarHBondContact CD-OD1 3.47Å; P159-Y209 HydrophobicContact CB-CD1 3.73Å; P159-Y209 HydrophobicContact CB-CD2 3.96Å; P159-Y209 HydrophobicContact CB-CE1 3.9Å; P159-Y209 HydrophobicContact CB-CE2 4.13Å; P159-Y209 HydrophobicContact CB-CG 3.76Å; P159-Y209 HydrophobicContact CG-CD1 3.76Å; P159-Y209 HydrophobicContact CG-CD2 4.13Å; P159-Y209 HydrophobicContact CG-CE1 4.43Å; P159-Y209 HydrophobicContact CG-CG 3.58Å |
| 160 | P | 91.6 | Very high | 91.2 | Very high | 76 Ų | 76 | 86.9 Ų | 86.9 | 49% | 0.494 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 137.1 | 176.7 | -24.7 | 34 | 0 | 0 | 0 | 112.2 | G162 V163 Y209 | P160-G162 PolarHBondContact O-N 2.85Å; P160-V163 VanDerWaalsContact O-CG1 3.28Å; P160-V163 WeakPolarHBondContact O-CG1 3.34Å; P160-V163 PolarHBondContact O-N 3.04Å; P160-Y209 WeakPolarHBondContact CD-OH 3.42Å |
| 161 | A | 84.6 | Confident | 90.9 | Very high | 112 Ų | 112 | 89.9 Ų | 89.9 | 93% | 0.926 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 127.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P159 | P159-A161 PolarHBondContact O-N 3.31Š|
| 162 | G | 83.1 | Confident | 90.5 | Very high | 73 Ų | 73 | 88.7 Ų | 88.7 | 75% | 0.753 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.9 | -7.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | P160 | P160-G162 PolarHBondContact O-N 2.85Š|
| 163 | V | 89 | Confident | 90.4 | Very high | 65 Ų | 65 | 90.1 Ų | 90.1 | 39% | 0.394 | 46% | 0.462 | S | S | . | . | trans | -70.6 | 131.5 | 170.5 | 73.9 | 0 | 0 | 0 | 0 | 110.4 | P159 P160 F165 Y209 | P159-V163 HydrophobicContact CB-CG1 3.89Å; P160-V163 VanDerWaalsContact O-CG1 3.28Å; P160-V163 WeakPolarHBondContact O-CG1 3.34Å; P160-V163 PolarHBondContact O-N 3.04Å; V163-F165 VanDerWaalsContact C-N 3.31Å; V163-F165 HydrophobicContact CG1-CB 4.22Å; V163-F165 PolarHBondContact O-N 3.2Å; V163-Y209 HydrophobicContact CB-CE2 4.49Å; V163-Y209 HydrophobicContact CG1-CE2 3.82Å; V163-Y209 HydrophobicContact CG2-CE2 3.97Å | ||
| 164 | Q | 85 | Confident | 90.2 | Very high | 196 Ų | 196 | 85.7 Ų | 85.7 | 92% | 0.916 | 45% | 0.454 | S | S | * | . | trans | -77.1 | 84.9 | 171.1 | -87.4 | 127.5 | 66.6 | 0 | 0 | 109.5 | ||||
| 165 | F | 89.1 | Confident | 90 | Very high | 54 Ų | 54 | 85.7 Ų | 85.7 | 24% | 0.237 | 45% | 0.453 | C | S | . | . | trans | -123.5 | 103.8 | 169.7 | 178.3 | -111.3 | 0 | 0 | 0 | 108.3 | V163 F167 R205 F208 Y209 | V163-F165 VanDerWaalsContact C-N 3.31Å; V163-F165 HydrophobicContact CG1-CB 4.22Å; V163-F165 PolarHBondContact O-N 3.2Å; F165-F167 HydrophobicContact CD1-CB 4.19Å; F165-F167 HydrophobicContact CE1-CB 3.72Å; F165-F167 HydrophobicContact CE1-CD2 4.27Å; F165-F167 HydrophobicContact CE1-CG 4.34Å; F165-F167 HydrophobicContact CZ-CB 4.36Å; F165-F167 HydrophobicContact CZ-CD2 4.4Å; F165-F167 PolarHBondContact O-N 3.14Å; F165-R205 HydrophobicContact CE1-CG 4.2Å; F165-R205 WeakPolarHBondContact CE1-O 3.46Å; F165-F208 HydrophobicContact CZ-CB 4.03Å; F165-Y209 HydrophobicContact CB-CD2 3.97Å; F165-Y209 HydrophobicContact CB-CE2 4.38Å; F165-Y209 HydrophobicContact CD1-CD2 4Å; F165-Y209 HydrophobicContact CD1-CG 4.42Å; F165-Y209 HydrophobicContact CD2-CD2 4.13Å; F165-Y209 AromaticContact CG-CD2 3.77Å; F165-Y209 HydrophobicContact CG-CD2 3.77Å | ||
| 166 | H | 88.3 | Confident | 89.8 | Confident | 170 Ų | 170 | 85.7 Ų | 85.7 | 79% | 0.787 | 45% | 0.454 | S | S | * | . | trans | -84 | 115.3 | 174.4 | -173.7 | 18.4 | 0 | 0 | 0 | 108.7 | ||||
| 167 | F | 91.5 | Very high | 89.7 | Confident | 28 Ų | 28 | 85 Ų | 85 | 12% | 0.123 | 46% | 0.457 | C | S | . | . | trans | -112.1 | 134.2 | 173 | 177.9 | -100.6 | 0 | 0 | 0 | 109.2 | F165 M169 M172 D201 W204 R205 F208 | F165-F167 HydrophobicContact CD1-CB 4.19Å; F165-F167 HydrophobicContact CE1-CB 3.72Å; F165-F167 HydrophobicContact CE1-CD2 4.27Å; F165-F167 HydrophobicContact CE1-CG 4.34Å; F165-F167 HydrophobicContact CZ-CB 4.36Å; F165-F167 HydrophobicContact CZ-CD2 4.4Å; F165-F167 PolarHBondContact O-N 3.14Å; F167-M169 HydrophobicContact CE1-CB 4.13Å; F167-M169 HydrophobicContact CZ-CB 4.38Å; F167-M172 HydrophobicContact CD2-CB 4.49Å; F167-M172 HydrophobicContact CD2-CG 4.02Å; F167-M172 HydrophobicContact CE2-CB 3.81Å; F167-M172 HydrophobicContact CE2-CG 3.85Å; F167-M172 HydrophobicContact CZ-CB 4.48Å; F167-D201 WeakPolarHBondContact CE1-OD1 3.02Å; F167-W204 HydrophobicContact CE2-CB 4.09Å; F167-W204 HydrophobicContact CZ-CB 3.58Å; F167-R205 HydrophobicContact CB-CB 4.42Å; F167-R205 HydrophobicContact CB-CG 3.84Å; F167-R205 HydrophobicContact CD1-CB 3.59Å; F167-R205 HydrophobicContact CD1-CG 3.87Å; F167-R205 HydrophobicContact CD2-CB 4.3Å; F167-R205 HydrophobicContact CE1-CB 3.85Å; F167-R205 HydrophobicContact CG-CB 3.83Å; F167-R205 HydrophobicContact CG-CG 3.81Å; F167-R205 HydrophobicContact CZ-CB 4.33Å; F167-F208 HydrophobicContact CD2-CB 4.49Å; F167-F208 HydrophobicContact CE2-CB 4.46Å; F167-F208 AromaticContact CE2-CD2 3.81Å; F167-F208 HydrophobicContact CE2-CD2 3.81Å | ||
| 168 | D | 93.2 | Very high | 89.5 | Confident | 78 Ų | 78 | 78 Ų | 78 | 42% | 0.417 | 43% | 0.432 | S | S | . | . | trans | -131.8 | 126.2 | 169.5 | -176.2 | 9.3 | 0 | 0 | 0 | 108 | E170 H171 M172 | D168-E170 PolarHBondContact OD1-N 2.77Å; D168-H171 HydrophobicContact CB-CB 4.31Å; D168-M172 WeakPolarHBondContact O-CB 3.01Å; D168-M172 WeakPolarHBondContact O-CG 3.2Å; D168-M172 PolarHBondContact O-N 2.67Å | ||
| 169 | M | 89.8 | Confident | 89.4 | Confident | 53 Ų | 53 | 74 Ų | 74 | 26% | 0.261 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.8 | -44.4 | -173.9 | -168 | -76 | 177.1 | 0 | 0 | 110.5 | F167 H171 M172 Y173 E200 | F167-M169 HydrophobicContact CE1-CB 4.13Å; F167-M169 HydrophobicContact CZ-CB 4.38Å; M169-H171 VanDerWaalsContact C-N 3.32Å; M169-H171 PolarHBondContact O-N 2.91Å; M169-M172 PolarHBondContact O-N 3.35Å; M169-Y173 HydrophobicContact CE-CD2 3.37Å; M169-Y173 HydrophobicContact CE-CE2 3.98Å; M169-Y173 HydrophobicContact CE-CG 4.14Å; M169-Y173 VanDerWaalsContact O-CB 3.29Å; M169-Y173 WeakPolarHBondContact O-CB 3.32Å; M169-Y173 PolarHBondContact O-N 3.42Å; M169-Y173 HydrophobicContact SD-CD2 4.24Å; M169-Y173 HydrophobicContact SD-CG 4.47Å; M169-E200 HydrophobicContact CE-CG 4.29Å |
| 170 | E | 90.4 | Very high | 89.5 | Confident | 164 Ų | 164 | 74.3 Ų | 74.3 | 77% | 0.766 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.2 | -41.1 | -176.3 | -68.8 | -178.8 | 178.5 | 0 | 0 | 111.8 | D168 P174 | D168-E170 PolarHBondContact OD1-N 2.77Å; E170-P174 WeakPolarHBondContact O-CD 3.33Å |
| 171 | H | 88.8 | Confident | 89.4 | Confident | 147 Ų | 147 | 76.2 Ų | 76.2 | 68% | 0.681 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -73 | -34.7 | 179.7 | -169.8 | 68.5 | 0 | 0 | 0 | 113.1 | D168 M169 | D168-H171 HydrophobicContact CB-CB 4.31Å; M169-H171 VanDerWaalsContact C-N 3.32Å; M169-H171 PolarHBondContact O-N 2.91Å |
| 172 | M | 87.2 | Confident | 89.6 | Confident | 42 Ų | 42 | 75.2 Ų | 75.2 | 21% | 0.207 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -88.8 | -14 | -176.2 | -63 | -66.2 | -73.5 | 0 | 0 | 112.8 | F167 D168 M169 L175 A176 F208 | F167-M172 HydrophobicContact CD2-CB 4.49Å; F167-M172 HydrophobicContact CD2-CG 4.02Å; F167-M172 HydrophobicContact CE2-CB 3.81Å; F167-M172 HydrophobicContact CE2-CG 3.85Å; F167-M172 HydrophobicContact CZ-CB 4.48Å; D168-M172 WeakPolarHBondContact O-CB 3.01Å; D168-M172 WeakPolarHBondContact O-CG 3.2Å; D168-M172 PolarHBondContact O-N 2.67Å; M169-M172 PolarHBondContact O-N 3.35Å; M172-L175 HydrophobicContact CE-CD2 4.09Å; M172-L175 WeakPolarHBondContact O-CB 3.41Å; M172-L175 PolarHBondContact O-N 3.4Å; M172-A176 PolarHBondContact O-N 3.05Å; M172-F208 HydrophobicContact CB-CD2 4.21Å; M172-F208 HydrophobicContact CB-CE2 4Å; M172-F208 HydrophobicContact CE-CB 3.78Å; M172-F208 HydrophobicContact CE-CD1 3.33Å; M172-F208 HydrophobicContact CE-CD2 3.81Å; M172-F208 HydrophobicContact CE-CE1 3.76Å; M172-F208 HydrophobicContact CE-CE2 4.17Å; M172-F208 HydrophobicContact CE-CG 3.36Å; M172-F208 HydrophobicContact CE-CZ 4.15Å |
| 173 | Y | 90.1 | Very high | 90.1 | Very high | 120 Ų | 120 | 72.3 Ų | 72.3 | 47% | 0.471 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.3 | -43.4 | -178.3 | -176.3 | -102.1 | 0 | 0 | 0 | 114.4 | M169 L175 A176 A177 | M169-Y173 HydrophobicContact CE-CD2 3.37Å; M169-Y173 HydrophobicContact CE-CE2 3.98Å; M169-Y173 HydrophobicContact CE-CG 4.14Å; M169-Y173 VanDerWaalsContact O-CB 3.29Å; M169-Y173 WeakPolarHBondContact O-CB 3.32Å; M169-Y173 PolarHBondContact O-N 3.42Å; M169-Y173 HydrophobicContact SD-CD2 4.24Å; M169-Y173 HydrophobicContact SD-CG 4.47Å; Y173-L175 PolarHBondContact O-N 3.4Å; Y173-A176 WeakPolarHBondContact O-CB 3.26Å; Y173-A176 PolarHBondContact O-N 2.78Å; Y173-A176 VanDerWaalsContact O-N 3.08Å; Y173-A177 PolarHBondContact O-N 2.97Å |
| 174 | P | 90.1 | Very high | 90.3 | Very high | 63 Ų | 63 | 75.8 Ų | 75.8 | 41% | 0.409 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.8 | -35.6 | 174.5 | -25.2 | 35.8 | 0 | 0 | 0 | 112.6 | A128 E170 V178 | A128-P174 HydrophobicContact CB-CB 3.95Å; E170-P174 WeakPolarHBondContact O-CD 3.33Å; P174-V178 VanDerWaalsContact O-CG2 3.29Å; P174-V178 WeakPolarHBondContact O-CG2 3.21Å; P174-V178 PolarHBondContact O-N 2.76Å |
| 175 | L | 89.9 | Confident | 90.8 | Very high | 27 Ų | 27 | 70.8 Ų | 70.8 | 14% | 0.141 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -71.5 | -39.5 | 175.8 | -170.7 | 63.5 | 0 | 0 | 0 | 111.4 | A128 V129 P131 M172 Y173 A177 V178 M179 F208 | A128-L175 HydrophobicContact CB-CB 4.26Å; A128-L175 HydrophobicContact CB-CD1 4.25Å; V129-L175 WeakPolarHBondContact O-CD1 3.31Å; P131-L175 HydrophobicContact CB-CD2 4.5Å; M172-L175 HydrophobicContact CE-CD2 4.09Å; M172-L175 WeakPolarHBondContact O-CB 3.41Å; M172-L175 PolarHBondContact O-N 3.4Å; Y173-L175 PolarHBondContact O-N 3.4Å; L175-A177 VanDerWaalsContact C-N 3.33Å; L175-A177 PolarHBondContact O-N 3.33Å; L175-V178 PolarHBondContact O-N 3.32Å; L175-M179 VanDerWaalsContact O-CG 3.26Å; L175-M179 WeakPolarHBondContact O-CG 3.22Å; L175-M179 PolarHBondContact O-N 2.79Å; L175-F208 HydrophobicContact CB-CE1 4.45Å; L175-F208 HydrophobicContact CB-CZ 4.23Å; L175-F208 HydrophobicContact CD2-CD1 4.37Å; L175-F208 HydrophobicContact CD2-CE1 3.62Å; L175-F208 HydrophobicContact CD2-CZ 4.21Å; L175-F208 HydrophobicContact CG-CE1 3.92Å; L175-F208 HydrophobicContact CG-CZ 4.16Å |
| 176 | A | 92.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.4 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | M172 Y173 V178 M179 L180 W204 F208 | M172-A176 PolarHBondContact O-N 3.05Å; Y173-A176 WeakPolarHBondContact O-CB 3.26Å; Y173-A176 PolarHBondContact O-N 2.78Å; Y173-A176 VanDerWaalsContact O-N 3.08Å; A176-V178 VanDerWaalsContact C-N 3.32Å; A176-V178 PolarHBondContact O-N 3.49Å; A176-M179 PolarHBondContact O-N 3.37Å; A176-L180 VanDerWaalsContact O-CG 3.3Å; A176-L180 WeakPolarHBondContact O-CG 3.1Å; A176-L180 PolarHBondContact O-N 2.82Å; A176-W204 HydrophobicContact CB-CD2 3.83Å; A176-W204 HydrophobicContact CB-CE3 3.82Å; A176-W204 HydrophobicContact CB-CH2 3.68Å; A176-W204 HydrophobicContact CB-CZ2 3.66Å; A176-W204 HydrophobicContact CB-CZ3 3.75Å; A176-F208 HydrophobicContact CB-CE2 3.99Å; A176-F208 HydrophobicContact CB-CZ 4.01Å |
| 177 | A | 90.8 | Very high | 91.4 | Very high | 47 Ų | 47 | 63.7 Ų | 63.7 | 39% | 0.388 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y173 L175 L180 E181 | Y173-A177 PolarHBondContact O-N 2.97Å; L175-A177 VanDerWaalsContact C-N 3.33Å; L175-A177 PolarHBondContact O-N 3.33Å; A177-L180 PolarHBondContact O-N 3.04Å; A177-E181 PolarHBondContact O-N 2.72Å |
| 178 | V | 90.4 | Very high | 91.5 | Very high | 12 Ų | 12 | 69.8 Ų | 69.8 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 175.9 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | A127 A128 P130 P174 L175 A176 L180 E181 E182 | A127-V178 HydrophobicContact CB-CG2 3.57Å; A128-V178 HydrophobicContact CB-CG2 4.48Å; A128-V178 WeakPolarHBondContact O-CG2 3.32Å; P130-V178 HydrophobicContact CG-CG1 3.92Å; P174-V178 VanDerWaalsContact O-CG2 3.29Å; P174-V178 WeakPolarHBondContact O-CG2 3.21Å; P174-V178 PolarHBondContact O-N 2.76Å; L175-V178 PolarHBondContact O-N 3.32Å; A176-V178 VanDerWaalsContact C-N 3.32Å; A176-V178 PolarHBondContact O-N 3.49Å; V178-L180 VanDerWaalsContact C-N 3.29Å; V178-L180 PolarHBondContact O-N 2.95Å; V178-E181 PolarHBondContact O-N 3.15Å; V178-E181 VanDerWaalsContact O-N 3.13Å; V178-E182 PolarHBondContact O-N 3.18Å |
| 179 | M | 91.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.6 | -34.4 | 177.2 | -66.5 | -70.3 | 82 | 0 | 0 | 113.4 | P130 P131 W132 L175 A176 E181 E182 D183 L186 | P130-M179 HydrophobicContact CB-CE 3.93Å; P130-M179 HydrophobicContact CG-CE 4.42Å; P131-M179 WeakPolarHBondContact CD-SD 3.33Å; P131-M179 HydrophobicContact CG-CE 4.37Å; P131-M179 HydrophobicContact CG-SD 3.62Å; W132-M179 HydrophobicContact CE3-CE 4.46Å; W132-M179 HydrophobicContact CH2-CE 3.27Å; W132-M179 HydrophobicContact CH2-SD 3.95Å; W132-M179 HydrophobicContact CZ2-CE 4.09Å; W132-M179 HydrophobicContact CZ3-CE 3.49Å; W132-M179 VanDerWaalsContact CZ3-CE 3.49Å; W132-M179 HydrophobicContact CZ3-SD 3.56Å; W132-M179 VanDerWaalsContact CZ3-SD 3.56Å; L175-M179 VanDerWaalsContact O-CG 3.26Å; L175-M179 WeakPolarHBondContact O-CG 3.22Å; L175-M179 PolarHBondContact O-N 2.79Å; A176-M179 PolarHBondContact O-N 3.37Å; M179-E181 VanDerWaalsContact C-N 3.34Å; M179-E182 WeakPolarHBondContact CE-OE2 3.4Å; M179-E182 PolarHBondContact O-N 2.81Å; M179-D183 WeakPolarHBondContact O-CB 3.16Å; M179-D183 PolarHBondContact O-N 2.84Å; M179-L186 HydrophobicContact CB-CD2 3.85Å |
| 180 | L | 92.8 | Very high | 91.8 | Very high | 31 Ų | 31 | 68.5 Ų | 68.5 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.8 | -31 | 175.3 | -70.6 | 171 | 0 | 0 | 0 | 112.8 | A176 A177 V178 L186 N187 R190 W204 | A176-L180 VanDerWaalsContact O-CG 3.3Å; A176-L180 WeakPolarHBondContact O-CG 3.1Å; A176-L180 PolarHBondContact O-N 2.82Å; A177-L180 PolarHBondContact O-N 3.04Å; V178-L180 VanDerWaalsContact C-N 3.29Å; V178-L180 PolarHBondContact O-N 2.95Å; L180-L186 HydrophobicContact CD2-CG 4.21Å; L180-N187 HydrophobicContact CD2-CB 3.92Å; L180-R190 HydrophobicContact CD2-CB 4.44Å; L180-W204 HydrophobicContact CD1-CH2 4.19Å; L180-W204 HydrophobicContact CD1-CZ2 3.87Å; L180-W204 HydrophobicContact CD2-CH2 3.84Å; L180-W204 HydrophobicContact CD2-CZ2 4.08Å; L180-W204 HydrophobicContact CG-CH2 3.79Å; L180-W204 HydrophobicContact CG-CZ2 3.99Å |
| 181 | E | 89.1 | Confident | 92.1 | Very high | 116 Ų | 116 | 67.7 Ų | 67.7 | 54% | 0.542 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -72.3 | -40.2 | 175 | -169.8 | -176.7 | 163.2 | 0 | 0 | 111 | K124 A177 V178 M179 | K124-E181 WeakPolarHBondContact CE-OE1 3.5Å; K124-E181 IonicContact NZ-OE1 2.69Å; K124-E181 PolarHBondContact NZ-OE1 3.07Å; A177-E181 PolarHBondContact O-N 2.72Å; V178-E181 PolarHBondContact O-N 3.15Å; V178-E181 VanDerWaalsContact O-N 3.13Å; M179-E181 VanDerWaalsContact C-N 3.34Å |
| 182 | E | 88.4 | Confident | 92.4 | Very high | 91 Ų | 91 | 64.7 Ų | 64.7 | 43% | 0.425 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -79.1 | -35.8 | -177.1 | -66.9 | -175.5 | 162.2 | 0 | 0 | 113 | P130 W132 V178 M179 | P130-E182 VanDerWaalsContact CG-OE1 3.32Å; P130-E182 WeakPolarHBondContact CG-OE1 3.21Å; W132-E182 WeakPolarHBondContact CH2-OE2 3.39Å; W132-E182 WeakPolarHBondContact CZ2-OE2 3.44Å; V178-E182 PolarHBondContact O-N 3.18Å; M179-E182 WeakPolarHBondContact CE-OE2 3.4Å; M179-E182 PolarHBondContact O-N 2.81Å |
| 183 | D | 93.9 | Very high | 92.7 | Very high | 12 Ų | 12 | 62.8 Ų | 62.8 | 6% | 0.064 | 30% | 0.302 | C | S | . | . | trans | -112.9 | 98.8 | -178.5 | -169.9 | -14.4 | 0 | 0 | 0 | 112.2 | L146 S149 M179 L185 L186 N187 | L146-D183 HydrophobicContact CD2-CB 3.7Å; S149-D183 WeakPolarHBondContact CB-OD2 3.16Å; S149-D183 PolarHBondContact OG-OD2 3.12Å; M179-D183 WeakPolarHBondContact O-CB 3.16Å; M179-D183 PolarHBondContact O-N 2.84Å; D183-L185 VanDerWaalsContact C-N 3.26Å; D183-L185 PolarHBondContact O-N 3.19Å; D183-L185 WeakPolarHBondContact OD1-CA 3.48Å; D183-L185 WeakPolarHBondContact OD1-CB 3.28Å; D183-L185 PolarHBondContact OD1-N 3.28Å; D183-L186 HydrophobicContact CB-CB 3.72Å; D183-L186 WeakPolarHBondContact O-CB 3.44Å; D183-L186 PolarHBondContact O-N 3.21Å; D183-L186 PolarHBondContact OD1-N 3.5Å; D183-N187 PolarHBondContact O-N 2.99Å | ||
| 184 | Q | 93.3 | Very high | 92.9 | Very high | 138 Ų | 138 | 58 Ų | 58 | 65% | 0.645 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -63.9 | -30.4 | 176.4 | -61.9 | -178.1 | 6 | 0 | 0 | 113 | N187 R188 | Q184-N187 PolarHBondContact O-N 3.24Å; Q184-R188 WeakPolarHBondContact O-CG 3.37Å; Q184-R188 PolarHBondContact O-N 3.39Å; Q184-R188 VanDerWaalsContact O-N 3.14Å |
| 185 | L | 95.2 | Very high | 93.1 | Very high | 91 Ų | 91 | 60.5 Ų | 60.5 | 48% | 0.476 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -71.5 | -42.6 | 177.7 | -69.4 | 173.8 | 0 | 0 | 0 | 110.2 | D183 N187 R188 M189 | D183-L185 VanDerWaalsContact C-N 3.26Å; D183-L185 PolarHBondContact O-N 3.19Å; D183-L185 WeakPolarHBondContact OD1-CA 3.48Å; D183-L185 WeakPolarHBondContact OD1-CB 3.28Å; D183-L185 PolarHBondContact OD1-N 3.28Å; L185-N187 PolarHBondContact O-N 3.05Å; L185-R188 PolarHBondContact O-N 3.47Å; L185-M189 WeakPolarHBondContact O-CB 3.45Å; L185-M189 VanDerWaalsContact O-CG 3.27Å; L185-M189 WeakPolarHBondContact O-CG 3.44Å; L185-M189 PolarHBondContact O-N 2.87Å |
| 186 | L | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -55.4 | -43 | 173.8 | -176.4 | 61.3 | 0 | 0 | 0 | 111.4 | S149 F155 M179 L180 D183 M189 R190 F203 W204 Y207 | S149-L186 WeakPolarHBondContact OG-CB 3.24Å; F155-L186 HydrophobicContact CE1-CD1 3.39Å; F155-L186 HydrophobicContact CZ-CD1 3.52Å; M179-L186 HydrophobicContact CB-CD2 3.85Å; L180-L186 HydrophobicContact CD2-CG 4.21Å; D183-L186 HydrophobicContact CB-CB 3.72Å; D183-L186 WeakPolarHBondContact O-CB 3.44Å; D183-L186 PolarHBondContact O-N 3.21Å; D183-L186 PolarHBondContact OD1-N 3.5Å; L186-M189 PolarHBondContact O-N 2.83Å; L186-R190 WeakPolarHBondContact O-CB 3.38Å; L186-R190 PolarHBondContact O-N 3.29Å; L186-F203 HydrophobicContact CD1-CE1 4.3Å; L186-F203 HydrophobicContact CD1-CZ 3.94Å; L186-W204 HydrophobicContact CD2-CH2 4.13Å; L186-W204 HydrophobicContact CD2-CZ3 4.13Å; L186-W204 HydrophobicContact CG-CH2 4.48Å; L186-Y207 HydrophobicContact CD1-CD2 3.99Å; L186-Y207 HydrophobicContact CD1-CE2 3.83Å; L186-Y207 HydrophobicContact CD1-CG 4.43Å; L186-Y207 HydrophobicContact CD2-CE1 3.97Å; L186-Y207 HydrophobicContact CD2-CE2 4.28Å |
| 187 | N | 94.6 | Very high | 93.2 | Very high | 74 Ų | 74 | 71.9 Ų | 71.9 | 40% | 0.396 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.8 | -45 | 178.2 | -169.5 | 18.6 | 0 | 0 | 0 | 112.5 | L180 D183 Q184 L185 M189 R190 F191 | L180-N187 HydrophobicContact CD2-CB 3.92Å; D183-N187 PolarHBondContact O-N 2.99Å; Q184-N187 PolarHBondContact O-N 3.24Å; L185-N187 PolarHBondContact O-N 3.05Å; N187-M189 PolarHBondContact O-N 2.91Å; N187-R190 PolarHBondContact O-N 3.12Å; N187-F191 PolarHBondContact O-N 3.34Å |
| 188 | R | 94.9 | Very high | 93.5 | Very high | 157 Ų | 157 | 70.6 Ų | 70.6 | 59% | 0.592 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.4 | -45.1 | 173.6 | -71.8 | -179 | -177 | 145.6 | 3.6 | 111.8 | Q184 L185 R190 F191 D192 | Q184-R188 WeakPolarHBondContact O-CG 3.37Å; Q184-R188 PolarHBondContact O-N 3.39Å; Q184-R188 VanDerWaalsContact O-N 3.14Å; L185-R188 PolarHBondContact O-N 3.47Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R188-R190 PolarHBondContact O-N 2.88Å; R188-F191 WeakPolarHBondContact O-CB 3.23Å; R188-F191 PolarHBondContact O-N 3.41Å; R188-D192 PolarHBondContact O-N 3.01Å |
| 189 | M | 94.2 | Very high | 93.7 | Very high | 36 Ų | 36 | 77.7 Ų | 77.7 | 18% | 0.177 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 178.2 | -70.5 | -61.9 | -76.8 | 0 | 0 | 112.2 | K152 F155 L185 L186 N187 D192 L193 | K152-M189 HydrophobicContact CB-CE 3.64Å; K152-M189 HydrophobicContact CG-CE 4.09Å; F155-M189 HydrophobicContact CD2-CB 4.49Å; F155-M189 HydrophobicContact CD2-CE 3.95Å; F155-M189 HydrophobicContact CE2-CB 3.94Å; F155-M189 HydrophobicContact CE2-CE 3.86Å; F155-M189 HydrophobicContact CE2-CG 4.14Å; F155-M189 HydrophobicContact CZ-CB 4.28Å; L185-M189 WeakPolarHBondContact O-CB 3.45Å; L185-M189 VanDerWaalsContact O-CG 3.27Å; L185-M189 WeakPolarHBondContact O-CG 3.44Å; L185-M189 PolarHBondContact O-N 2.87Å; L186-M189 PolarHBondContact O-N 2.83Å; N187-M189 PolarHBondContact O-N 2.91Å; M189-D192 PolarHBondContact O-N 3.02Å; M189-L193 HydrophobicContact CE-CD1 3.9Å; M189-L193 VanDerWaalsContact O-CB 3.24Å; M189-L193 WeakPolarHBondContact O-CB 3.35Å; M189-L193 WeakPolarHBondContact O-CG 3.39Å; M189-L193 PolarHBondContact O-N 2.73Å |
| 190 | R | 94.8 | Very high | 93.9 | Very high | 67 Ų | 67 | 80.1 Ų | 80.1 | 25% | 0.253 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 172.8 | 178.4 | 175.9 | 170.9 | -89.4 | -2.4 | 110.8 | L180 L186 N187 R188 D192 L193 V194 E200 F203 | L180-R190 HydrophobicContact CD2-CB 4.44Å; L186-R190 WeakPolarHBondContact O-CB 3.38Å; L186-R190 PolarHBondContact O-N 3.29Å; N187-R190 PolarHBondContact O-N 3.12Å; R188-R190 VanDerWaalsContact C-N 3.34Å; R188-R190 PolarHBondContact O-N 2.88Å; R190-D192 VanDerWaalsContact C-N 3.31Å; R190-D192 PolarHBondContact O-N 3.37Å; R190-L193 PolarHBondContact O-N 2.84Å; R190-V194 HydrophobicContact CG-CB 4.46Å; R190-V194 HydrophobicContact CG-CG2 4.39Å; R190-V194 WeakPolarHBondContact O-CA 3.26Å; R190-V194 VanDerWaalsContact O-CB 3.3Å; R190-V194 WeakPolarHBondContact O-CB 3.29Å; R190-V194 PolarHBondContact O-N 2.89Å; R190-E200 IonicContact CZ-OE1 2.72Å; R190-E200 IonicContact CZ-OE2 2.73Å; R190-E200 IonicContact NE-OE1 3.94Å; R190-E200 PolarHBondContact NE-OE1 3.19Å; R190-E200 IonicContact NH2-OE1 3.85Å; R190-E200 PolarHBondContact NH2-OE1 3.36Å; R190-E200 IonicContact NH2-OE2 2.84Å; R190-E200 PolarHBondContact NH2-OE2 2.89Å; R190-F203 HydrophobicContact CB-CE1 4.03Å; R190-F203 HydrophobicContact CB-CE2 4.35Å; R190-F203 HydrophobicContact CB-CZ 3.78Å; R190-F203 HydrophobicContact CG-CE1 4.27Å; R190-F203 HydrophobicContact CG-CZ 4.43Å |
| 191 | F | 95.4 | Very high | 93.9 | Very high | 147 Ų | 147 | 82.1 Ų | 82.1 | 65% | 0.645 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.5 | -38.3 | 179.7 | -177 | -97.5 | 0 | 0 | 0 | 113 | N187 R188 | N187-F191 PolarHBondContact O-N 3.34Å; R188-F191 WeakPolarHBondContact O-CB 3.23Å; R188-F191 PolarHBondContact O-N 3.41Å |
| 192 | D | 94.9 | Very high | 94.2 | Very high | 84 Ų | 84 | 78 Ų | 78 | 45% | 0.449 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -80.5 | -27.9 | -178.9 | -73.6 | -26 | 0 | 0 | 0 | 113.9 | R188 M189 R190 K196 | R188-D192 PolarHBondContact O-N 3.01Å; M189-D192 PolarHBondContact O-N 3.02Å; R190-D192 VanDerWaalsContact C-N 3.31Å; R190-D192 PolarHBondContact O-N 3.37Å; D192-K196 WeakPolarHBondContact O-CD 3.32Å |
| 193 | L | 94.4 | Very high | 94.5 | Very high | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -100.7 | -25.9 | -175.1 | -59.5 | -178.7 | 0 | 0 | 0 | 113.6 | K152 F155 M189 R190 K196 Q197 V198 F203 | K152-L193 HydrophobicContact CD-CD2 3.8Å; K152-L193 HydrophobicContact CG-CD1 4.06Å; K152-L193 HydrophobicContact CG-CD2 4.06Å; F155-L193 HydrophobicContact CB-CD1 3.78Å; F155-L193 HydrophobicContact CD2-CD1 3.78Å; F155-L193 HydrophobicContact CG-CD1 4.03Å; M189-L193 HydrophobicContact CE-CD1 3.9Å; M189-L193 VanDerWaalsContact O-CB 3.24Å; M189-L193 WeakPolarHBondContact O-CB 3.35Å; M189-L193 WeakPolarHBondContact O-CG 3.39Å; M189-L193 PolarHBondContact O-N 2.73Å; R190-L193 PolarHBondContact O-N 2.84Å; L193-K196 PolarHBondContact O-N 3.19Å; L193-Q197 HydrophobicContact CD2-CB 4.38Å; L193-Q197 HydrophobicContact CD2-CG 4.08Å; L193-Q197 PolarHBondContact O-N 3.41Å; L193-V198 HydrophobicContact CB-CG2 4.37Å; L193-V198 PolarHBondContact O-N 2.9Å; L193-V198 VanDerWaalsContact O-N 3.07Å; L193-F203 HydrophobicContact CB-CD2 4.49Å; L193-F203 HydrophobicContact CD1-CE2 4.32Å |
| 194 | V | 94.9 | Very high | 94.6 | Very high | 21 Ų | 21 | 73.3 Ų | 73.3 | 13% | 0.127 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 127 | -175.5 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | R190 K196 V198 E200 F203 | R190-V194 HydrophobicContact CG-CB 4.46Å; R190-V194 HydrophobicContact CG-CG2 4.39Å; R190-V194 WeakPolarHBondContact O-CA 3.26Å; R190-V194 VanDerWaalsContact O-CB 3.3Å; R190-V194 WeakPolarHBondContact O-CB 3.29Å; R190-V194 PolarHBondContact O-N 2.89Å; V194-K196 VanDerWaalsContact C-N 3.34Å; V194-V198 WeakPolarHBondContact CA-O 3.29Å; V194-V198 HydrophobicContact CG2-CG2 4.18Å; V194-E200 HydrophobicContact CG1-CB 3.87Å; V194-F203 HydrophobicContact CG2-CB 3.6Å; V194-F203 HydrophobicContact CG2-CD1 4.41Å; V194-F203 HydrophobicContact CG2-CD2 3.68Å; V194-F203 HydrophobicContact CG2-CE2 4.47Å; V194-F203 HydrophobicContact CG2-CG 3.65Å |
| 195 | P | 93.1 | Very high | 94.7 | Very high | 114 Ų | 114 | 70 Ų | 70 | 74% | 0.74 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.4 | 6.8 | -4 | 34.9 | -35.6 | 0 | 0 | 0 | 114.2 | Q197 V198 | P195-Q197 PolarHBondContact O-N 3.49Å; P195-V198 WeakPolarHBondContact CA-O 3.4Å |
| 196 | K | 93.6 | Very high | 94.7 | Very high | 146 Ų | 146 | 65.7 Ų | 65.7 | 64% | 0.635 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -40 | -167.2 | -65.2 | -178.5 | -175.4 | 164.7 | 0 | 114.7 | D192 L193 V194 | D192-K196 WeakPolarHBondContact O-CD 3.32Å; L193-K196 PolarHBondContact O-N 3.19Å; V194-K196 VanDerWaalsContact C-N 3.34Å |
| 197 | Q | 92 | Very high | 94.7 | Very high | 121 Ų | 121 | 65.7 Ų | 65.7 | 57% | 0.565 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | -38.4 | -175.6 | -64.8 | -75.4 | 8.3 | 0 | 0 | 111.9 | L156 L193 P195 | L156-Q197 HydrophobicContact CD2-CB 3.88Å; L193-Q197 HydrophobicContact CD2-CB 4.38Å; L193-Q197 HydrophobicContact CD2-CG 4.08Å; L193-Q197 PolarHBondContact O-N 3.41Å; P195-Q197 PolarHBondContact O-N 3.49Å |
| 198 | V | 95.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 62.4 Ų | 62.4 | 13% | 0.127 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -139.3 | 152.4 | -179.7 | -71.6 | 0 | 0 | 0 | 0 | 110.7 | L156 L193 V194 P195 V202 F203 | L156-V198 HydrophobicContact CD2-CG1 3.58Å; L156-V198 HydrophobicContact CD2-CG2 4.19Å; L193-V198 HydrophobicContact CB-CG2 4.37Å; L193-V198 PolarHBondContact O-N 2.9Å; L193-V198 VanDerWaalsContact O-N 3.07Å; V194-V198 WeakPolarHBondContact CA-O 3.29Å; V194-V198 HydrophobicContact CG2-CG2 4.18Å; P195-V198 WeakPolarHBondContact CA-O 3.4Å; V198-V202 HydrophobicContact CB-CG1 4.49Å; V198-V202 HydrophobicContact CG1-CG1 4.42Å; V198-F203 HydrophobicContact CG2-CB 3.95Å; V198-F203 HydrophobicContact CG2-CD2 4.21Å |
| 199 | K | 95.7 | Very high | 94.8 | Very high | 161 Ų | 161 | 55.6 Ų | 55.6 | 70% | 0.7 | 27% | 0.267 | S | S | * | . | trans | -72.2 | 155.8 | 171.4 | -64.4 | -177.7 | -179.7 | 179.2 | 0 | 110.2 | D201 V202 F203 | K199-D201 VanDerWaalsContact C-N 3.33Å; K199-D201 PolarHBondContact O-N 3.32Å; K199-V202 HydrophobicContact CB-CG2 4.45Å; K199-V202 PolarHBondContact O-N 3.49Å; K199-V202 VanDerWaalsContact O-N 3.12Å; K199-F203 PolarHBondContact O-N 3.22Å | ||
| 200 | E | 94.6 | Very high | 94.9 | Very high | 53 Ų | 53 | 56.2 Ų | 56.2 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.2 | -44.4 | -178.7 | -176.8 | 139.1 | -156 | 0 | 0 | 113 | M169 R190 V194 V202 F203 W204 | M169-E200 HydrophobicContact CE-CG 4.29Å; R190-E200 IonicContact CZ-OE1 2.72Å; R190-E200 IonicContact CZ-OE2 2.73Å; R190-E200 IonicContact NE-OE1 3.94Å; R190-E200 PolarHBondContact NE-OE1 3.19Å; R190-E200 IonicContact NH2-OE1 3.85Å; R190-E200 PolarHBondContact NH2-OE1 3.36Å; R190-E200 IonicContact NH2-OE2 2.84Å; R190-E200 PolarHBondContact NH2-OE2 2.89Å; V194-E200 HydrophobicContact CG1-CB 3.87Å; E200-V202 VanDerWaalsContact C-N 3.32Å; E200-V202 PolarHBondContact O-N 3.21Å; E200-F203 WeakPolarHBondContact O-CB 3.38Å; E200-F203 PolarHBondContact O-N 2.99Å; E200-W204 VanDerWaalsContact CG-CD1 3.49Å; E200-W204 VanDerWaalsContact O-CD1 3.25Å; E200-W204 PolarHBondContact O-N 3.5Å; E200-W204 PolarHBondContact OE1-NE1 3.36Å |
| 201 | D | 94.2 | Very high | 94.9 | Very high | 72 Ų | 72 | 53.2 Ų | 53.2 | 39% | 0.385 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -56 | -45.9 | 176.1 | 178.9 | 76.6 | 0 | 0 | 0 | 112.3 | F167 K199 R205 | F167-D201 WeakPolarHBondContact CE1-OD1 3.02Å; K199-D201 VanDerWaalsContact C-N 3.33Å; K199-D201 PolarHBondContact O-N 3.32Å; D201-R205 VanDerWaalsContact O-CB 3.24Å; D201-R205 WeakPolarHBondContact O-CB 3.48Å; D201-R205 PolarHBondContact O-N 3.31Å |
| 202 | V | 94.6 | Very high | 94.7 | Very high | 31 Ų | 31 | 47.3 Ų | 47.3 | 19% | 0.188 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.6 | -42.1 | -179.4 | 178.4 | 0 | 0 | 0 | 0 | 110.9 | D158 V198 K199 E200 W204 R205 N206 | D158-V202 WeakPolarHBondContact OD1-CG1 3.34Å; V198-V202 HydrophobicContact CB-CG1 4.49Å; V198-V202 HydrophobicContact CG1-CG1 4.42Å; K199-V202 HydrophobicContact CB-CG2 4.45Å; K199-V202 PolarHBondContact O-N 3.49Å; K199-V202 VanDerWaalsContact O-N 3.12Å; E200-V202 VanDerWaalsContact C-N 3.32Å; E200-V202 PolarHBondContact O-N 3.21Å; V202-W204 PolarHBondContact O-N 3.13Å; V202-R205 PolarHBondContact O-N 3.32Å; V202-N206 WeakPolarHBondContact CG1-ND2 3.14Å; V202-N206 VanDerWaalsContact O-CB 3.28Å; V202-N206 WeakPolarHBondContact O-CB 3.41Å; V202-N206 PolarHBondContact O-N 3.3Å; V202-N206 PolarHBondContact O-ND2 2.82Å; V202-N206 PolarHBondContact O-OD1 3.48Å |
| 203 | F | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.2 | -52.1 | 176.2 | 175.3 | -88 | 0 | 0 | 0 | 111.1 | F155 L186 R190 L193 V194 V198 K199 E200 N206 Y207 | F155-F203 HydrophobicContact CB-CD2 3.78Å; F155-F203 HydrophobicContact CB-CE2 3.82Å; F155-F203 AromaticContact CD1-CD2 3.75Å; F155-F203 HydrophobicContact CD1-CD2 3.75Å; F155-F203 HydrophobicContact CD1-CE1 4.16Å; F155-F203 AromaticContact CD1-CE2 3.19Å; F155-F203 HydrophobicContact CD1-CE2 3.19Å; F155-F203 HydrophobicContact CD1-CG 4.44Å; F155-F203 AromaticContact CD1-CZ 3.43Å; F155-F203 HydrophobicContact CD1-CZ 3.43Å; F155-F203 VanDerWaalsContact CD1-CZ 3.43Å; F155-F203 HydrophobicContact CD2-CE2 4.22Å; F155-F203 HydrophobicContact CE1-CE1 4.26Å; F155-F203 AromaticContact CE1-CE2 3.72Å; F155-F203 HydrophobicContact CE1-CE2 3.72Å; F155-F203 AromaticContact CE1-CZ 3.49Å; F155-F203 HydrophobicContact CE1-CZ 3.49Å; F155-F203 VanDerWaalsContact CE1-CZ 3.49Å; F155-F203 AromaticContact CG-CD2 3.95Å; F155-F203 HydrophobicContact CG-CD2 3.95Å; F155-F203 AromaticContact CG-CE2 3.47Å; F155-F203 HydrophobicContact CG-CE2 3.47Å; F155-F203 VanDerWaalsContact CG-CE2 3.47Å; F155-F203 HydrophobicContact CG-CZ 4.14Å; F155-F203 HydrophobicContact CZ-CE2 4.42Å; F155-F203 HydrophobicContact CZ-CZ 4.26Å; L186-F203 HydrophobicContact CD1-CE1 4.3Å; L186-F203 HydrophobicContact CD1-CZ 3.94Å; R190-F203 HydrophobicContact CB-CE1 4.03Å; R190-F203 HydrophobicContact CB-CE2 4.35Å; R190-F203 HydrophobicContact CB-CZ 3.78Å; R190-F203 HydrophobicContact CG-CE1 4.27Å; R190-F203 HydrophobicContact CG-CZ 4.43Å; L193-F203 HydrophobicContact CB-CD2 4.49Å; L193-F203 HydrophobicContact CD1-CE2 4.32Å; V194-F203 HydrophobicContact CG2-CB 3.6Å; V194-F203 HydrophobicContact CG2-CD1 4.41Å; V194-F203 HydrophobicContact CG2-CD2 3.68Å; V194-F203 HydrophobicContact CG2-CE2 4.47Å; V194-F203 HydrophobicContact CG2-CG 3.65Å; V198-F203 HydrophobicContact CG2-CB 3.95Å; V198-F203 HydrophobicContact CG2-CD2 4.21Å; K199-F203 PolarHBondContact O-N 3.22Å; E200-F203 WeakPolarHBondContact O-CB 3.38Å; E200-F203 PolarHBondContact O-N 2.99Å; F203-N206 PolarHBondContact O-N 2.87Å; F203-Y207 WeakPolarHBondContact O-CB 3.14Å; F203-Y207 PolarHBondContact O-N 2.83Å |
| 204 | W | 95.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.9 | -42.2 | -178.9 | -73.9 | 122 | 0 | 0 | 0 | 112.3 | F167 A176 L180 L186 E200 V202 N206 Y207 F208 | F167-W204 HydrophobicContact CE2-CB 4.09Å; F167-W204 HydrophobicContact CZ-CB 3.58Å; A176-W204 HydrophobicContact CB-CD2 3.83Å; A176-W204 HydrophobicContact CB-CE3 3.82Å; A176-W204 HydrophobicContact CB-CH2 3.68Å; A176-W204 HydrophobicContact CB-CZ2 3.66Å; A176-W204 HydrophobicContact CB-CZ3 3.75Å; L180-W204 HydrophobicContact CD1-CH2 4.19Å; L180-W204 HydrophobicContact CD1-CZ2 3.87Å; L180-W204 HydrophobicContact CD2-CH2 3.84Å; L180-W204 HydrophobicContact CD2-CZ2 4.08Å; L180-W204 HydrophobicContact CG-CH2 3.79Å; L180-W204 HydrophobicContact CG-CZ2 3.99Å; L186-W204 HydrophobicContact CD2-CH2 4.13Å; L186-W204 HydrophobicContact CD2-CZ3 4.13Å; L186-W204 HydrophobicContact CG-CH2 4.48Å; E200-W204 VanDerWaalsContact CG-CD1 3.49Å; E200-W204 VanDerWaalsContact O-CD1 3.25Å; E200-W204 PolarHBondContact O-N 3.5Å; E200-W204 PolarHBondContact OE1-NE1 3.36Å; V202-W204 PolarHBondContact O-N 3.13Å; W204-N206 VanDerWaalsContact C-N 3.26Å; W204-N206 PolarHBondContact O-N 3.35Å; W204-Y207 AromaticContact CE3-CD1 3.95Å; W204-Y207 HydrophobicContact CE3-CD1 3.95Å; W204-Y207 AromaticContact CZ3-CD1 3.82Å; W204-Y207 HydrophobicContact CZ3-CD1 3.82Å; W204-Y207 HydrophobicContact CZ3-CE1 4.18Å; W204-Y207 PolarHBondContact O-N 3.39Å; W204-F208 HydrophobicContact CB-CD2 4.15Å; W204-F208 HydrophobicContact CB-CE2 4.31Å; W204-F208 HydrophobicContact CD2-CE2 4.15Å; W204-F208 HydrophobicContact CE3-CD2 4.01Å; W204-F208 AromaticContact CE3-CE2 3.48Å; W204-F208 HydrophobicContact CE3-CE2 3.48Å; W204-F208 VanDerWaalsContact CE3-CE2 3.48Å; W204-F208 HydrophobicContact CE3-CZ 4.15Å; W204-F208 HydrophobicContact CZ3-CE2 4.16Å; W204-F208 HydrophobicContact CZ3-CZ 4.4Å; W204-F208 WeakPolarHBondContact O-CB 3.34Å; W204-F208 VanDerWaalsContact O-CD2 3.23Å; W204-F208 WeakPolarHBondContact O-CD2 3.21Å; W204-F208 PolarHBondContact O-N 2.85Å |
| 205 | R | 95.1 | Very high | 94.4 | Very high | 69 Ų | 69 | 49 Ų | 49 | 26% | 0.26 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -54.9 | -46 | 174.7 | -174.3 | -174.8 | 72.6 | -141.2 | 7.8 | 111.4 | D158 P159 F165 F167 D201 V202 Y209 | D158-R205 VanDerWaalsContact CG-NH2 3.31Å; D158-R205 IonicContact OD1-CZ 3.53Å; D158-R205 IonicContact OD1-NH2 3.31Å; D158-R205 PolarHBondContact OD1-NH2 3.01Å; D158-R205 IonicContact OD2-NH2 3.69Å; P159-R205 HydrophobicContact CG-CG 4.5Å; F165-R205 HydrophobicContact CE1-CG 4.2Å; F165-R205 WeakPolarHBondContact CE1-O 3.46Å; F167-R205 HydrophobicContact CB-CB 4.42Å; F167-R205 HydrophobicContact CB-CG 3.84Å; F167-R205 HydrophobicContact CD1-CB 3.59Å; F167-R205 HydrophobicContact CD1-CG 3.87Å; F167-R205 HydrophobicContact CD2-CB 4.3Å; F167-R205 HydrophobicContact CE1-CB 3.85Å; F167-R205 HydrophobicContact CG-CB 3.83Å; F167-R205 HydrophobicContact CG-CG 3.81Å; F167-R205 HydrophobicContact CZ-CB 4.33Å; D201-R205 VanDerWaalsContact O-CB 3.24Å; D201-R205 WeakPolarHBondContact O-CB 3.48Å; D201-R205 PolarHBondContact O-N 3.31Å; V202-R205 PolarHBondContact O-N 3.32Å; R205-Y209 VanDerWaalsContact O-CB 3.25Å; R205-Y209 WeakPolarHBondContact O-CB 3.2Å; R205-Y209 PolarHBondContact O-N 3.5Å |
| 206 | N | 95.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.5 | -44.9 | -176.7 | -65.7 | -2.4 | 0 | 0 | 0 | 111 | F155 D158 P159 V202 F203 W204 Y209 R210 | F155-N206 WeakPolarHBondContact O-CB 3.48Å; F155-N206 PolarHBondContact O-ND2 3.27Å; D158-N206 PolarHBondContact OD1-ND2 3.18Å; D158-N206 PolarHBondContact OD1-OD1 3.43Å; D158-N206 VanDerWaalsContact OD1-OD1 3.08Å; P159-N206 WeakPolarHBondContact CD-OD1 3.47Å; V202-N206 WeakPolarHBondContact CG1-ND2 3.14Å; V202-N206 VanDerWaalsContact O-CB 3.28Å; V202-N206 WeakPolarHBondContact O-CB 3.41Å; V202-N206 PolarHBondContact O-N 3.3Å; V202-N206 PolarHBondContact O-ND2 2.82Å; V202-N206 PolarHBondContact O-OD1 3.48Å; F203-N206 PolarHBondContact O-N 2.87Å; W204-N206 VanDerWaalsContact C-N 3.26Å; W204-N206 PolarHBondContact O-N 3.35Å; N206-Y209 PolarHBondContact O-N 2.72Å; N206-R210 WeakPolarHBondContact O-CG 3.47Å; N206-R210 PolarHBondContact O-N 3.14Å |
| 207 | Y | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -53.8 | 175.4 | 176.7 | -106.9 | 0 | 0 | 0 | 112.2 | I145 L148 F155 L186 F203 W204 Y209 R210 V211 | I145-Y207 WeakPolarHBondContact CG2-OH 2.96Å; L148-Y207 HydrophobicContact CB-CE2 4.08Å; L148-Y207 HydrophobicContact CD1-CD2 4.46Å; L148-Y207 HydrophobicContact CD1-CE2 4.12Å; F155-Y207 HydrophobicContact CD1-CD2 4.31Å; F155-Y207 AromaticContact CE1-CD2 3.51Å; F155-Y207 HydrophobicContact CE1-CD2 3.51Å; F155-Y207 HydrophobicContact CE1-CE2 4.3Å; F155-Y207 HydrophobicContact CE1-CG 4.08Å; F155-Y207 HydrophobicContact CZ-CD2 4.25Å; L186-Y207 HydrophobicContact CD1-CD2 3.99Å; L186-Y207 HydrophobicContact CD1-CE2 3.83Å; L186-Y207 HydrophobicContact CD1-CG 4.43Å; L186-Y207 HydrophobicContact CD2-CE1 3.97Å; L186-Y207 HydrophobicContact CD2-CE2 4.28Å; F203-Y207 WeakPolarHBondContact O-CB 3.14Å; F203-Y207 PolarHBondContact O-N 2.83Å; W204-Y207 AromaticContact CE3-CD1 3.95Å; W204-Y207 HydrophobicContact CE3-CD1 3.95Å; W204-Y207 AromaticContact CZ3-CD1 3.82Å; W204-Y207 HydrophobicContact CZ3-CD1 3.82Å; W204-Y207 HydrophobicContact CZ3-CE1 4.18Å; W204-Y207 PolarHBondContact O-N 3.39Å; Y207-Y209 PolarHBondContact O-N 2.74Å; Y207-R210 WeakPolarHBondContact O-CA 3.49Å; Y207-R210 WeakPolarHBondContact O-CB 3.33Å; Y207-R210 PolarHBondContact O-N 3.12Å; Y207-V211 HydrophobicContact CD1-CG2 4.17Å; Y207-V211 HydrophobicContact CE1-CG2 3.78Å; Y207-V211 HydrophobicContact CE2-CG2 4.24Å; Y207-V211 WeakPolarHBondContact O-CG2 2.91Å; Y207-V211 PolarHBondContact O-N 2.74Å |
| 208 | F | 95.5 | Very high | 94 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.018 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.7 | -26.6 | -177.8 | -78.1 | -63 | 0 | 0 | 0 | 113.1 | F165 F167 M172 L175 A176 W204 V211 S212 | F165-F208 HydrophobicContact CZ-CB 4.03Å; F167-F208 HydrophobicContact CD2-CB 4.49Å; F167-F208 HydrophobicContact CE2-CB 4.46Å; F167-F208 AromaticContact CE2-CD2 3.81Å; F167-F208 HydrophobicContact CE2-CD2 3.81Å; M172-F208 HydrophobicContact CB-CD2 4.21Å; M172-F208 HydrophobicContact CB-CE2 4Å; M172-F208 HydrophobicContact CE-CB 3.78Å; M172-F208 HydrophobicContact CE-CD1 3.33Å; M172-F208 HydrophobicContact CE-CD2 3.81Å; M172-F208 HydrophobicContact CE-CE1 3.76Å; M172-F208 HydrophobicContact CE-CE2 4.17Å; M172-F208 HydrophobicContact CE-CG 3.36Å; M172-F208 HydrophobicContact CE-CZ 4.15Å; L175-F208 HydrophobicContact CB-CE1 4.45Å; L175-F208 HydrophobicContact CB-CZ 4.23Å; L175-F208 HydrophobicContact CD2-CD1 4.37Å; L175-F208 HydrophobicContact CD2-CE1 3.62Å; L175-F208 HydrophobicContact CD2-CZ 4.21Å; L175-F208 HydrophobicContact CG-CE1 3.92Å; L175-F208 HydrophobicContact CG-CZ 4.16Å; A176-F208 HydrophobicContact CB-CE2 3.99Å; A176-F208 HydrophobicContact CB-CZ 4.01Å; W204-F208 HydrophobicContact CB-CD2 4.15Å; W204-F208 HydrophobicContact CB-CE2 4.31Å; W204-F208 HydrophobicContact CD2-CE2 4.15Å; W204-F208 HydrophobicContact CE3-CD2 4.01Å; W204-F208 AromaticContact CE3-CE2 3.48Å; W204-F208 HydrophobicContact CE3-CE2 3.48Å; W204-F208 VanDerWaalsContact CE3-CE2 3.48Å; W204-F208 HydrophobicContact CE3-CZ 4.15Å; W204-F208 HydrophobicContact CZ3-CE2 4.16Å; W204-F208 HydrophobicContact CZ3-CZ 4.4Å; W204-F208 WeakPolarHBondContact O-CB 3.34Å; W204-F208 VanDerWaalsContact O-CD2 3.23Å; W204-F208 WeakPolarHBondContact O-CD2 3.21Å; W204-F208 PolarHBondContact O-N 2.85Å; F208-V211 PolarHBondContact O-N 2.68Å; F208-S212 WeakPolarHBondContact O-CB 3.32Å; F208-S212 PolarHBondContact O-N 3.4Å |
| 209 | Y | 95.7 | Very high | 93.6 | Very high | 15 Ų | 15 | 42.6 Ų | 42.6 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 168.7 | 175.4 | -112.3 | 0 | 0 | 0 | 111.6 | P159 P160 V163 F165 R205 N206 Y207 V211 S212 L213 | P159-Y209 HydrophobicContact CB-CD1 3.73Å; P159-Y209 HydrophobicContact CB-CD2 3.96Å; P159-Y209 HydrophobicContact CB-CE1 3.9Å; P159-Y209 HydrophobicContact CB-CE2 4.13Å; P159-Y209 HydrophobicContact CB-CG 3.76Å; P159-Y209 HydrophobicContact CG-CD1 3.76Å; P159-Y209 HydrophobicContact CG-CD2 4.13Å; P159-Y209 HydrophobicContact CG-CE1 4.43Å; P159-Y209 HydrophobicContact CG-CG 3.58Å; P160-Y209 WeakPolarHBondContact CD-OH 3.42Å; V163-Y209 HydrophobicContact CB-CE2 4.49Å; V163-Y209 HydrophobicContact CG1-CE2 3.82Å; V163-Y209 HydrophobicContact CG2-CE2 3.97Å; F165-Y209 HydrophobicContact CB-CD2 3.97Å; F165-Y209 HydrophobicContact CB-CE2 4.38Å; F165-Y209 HydrophobicContact CD1-CD2 4Å; F165-Y209 HydrophobicContact CD1-CG 4.42Å; F165-Y209 HydrophobicContact CD2-CD2 4.13Å; F165-Y209 AromaticContact CG-CD2 3.77Å; F165-Y209 HydrophobicContact CG-CD2 3.77Å; R205-Y209 VanDerWaalsContact O-CB 3.25Å; R205-Y209 WeakPolarHBondContact O-CB 3.2Å; R205-Y209 PolarHBondContact O-N 3.5Å; N206-Y209 PolarHBondContact O-N 2.72Å; Y207-Y209 PolarHBondContact O-N 2.74Å; Y209-V211 VanDerWaalsContact C-N 3.34Å; Y209-V211 PolarHBondContact O-N 3.22Å; Y209-S212 WeakPolarHBondContact O-CB 3.45Å; Y209-S212 PolarHBondContact O-N 2.81Å; Y209-S212 VanDerWaalsContact O-N 3.14Å; Y209-S212 PolarHBondContact O-OG 2.81Å; Y209-L213 HydrophobicContact CD1-CD1 4.29Å; Y209-L213 HydrophobicContact CE1-CD1 3.69Å; Y209-L213 HydrophobicContact CE1-CG 4.32Å; Y209-L213 HydrophobicContact CE2-CD1 4.49Å; Y209-L213 HydrophobicContact CE2-CD2 4.28Å; Y209-L213 HydrophobicContact CE2-CG 4.28Å; Y209-L213 PolarHBondContact O-N 3.13Å |
| 210 | R | 95.6 | Very high | 93.2 | Very high | 48 Ų | 48 | 40.7 Ų | 40.7 | 18% | 0.181 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 175.2 | -58.3 | -60.7 | 170.4 | -154.1 | -9.2 | 111.6 | L148 N154 R157 N206 Y207 S212 L213 I214 | L148-R210 HydrophobicContact CD1-CB 3.6Å; L148-R210 HydrophobicContact CD2-CB 3.81Å; L148-R210 HydrophobicContact CD2-CG 4.42Å; L148-R210 HydrophobicContact CG-CB 4.34Å; N154-R210 HydrophobicContact CB-CG 4.2Å; R157-R210 PolarHBondContact O-NH2 3.35Å; R157-R210 VanDerWaalsContact O-NH2 3.17Å; N206-R210 WeakPolarHBondContact O-CG 3.47Å; N206-R210 PolarHBondContact O-N 3.14Å; Y207-R210 WeakPolarHBondContact O-CA 3.49Å; Y207-R210 WeakPolarHBondContact O-CB 3.33Å; Y207-R210 PolarHBondContact O-N 3.12Å; R210-S212 VanDerWaalsContact C-N 3.29Å; R210-S212 PolarHBondContact O-N 3.25Å; R210-L213 WeakPolarHBondContact O-CB 3.42Å; R210-L213 PolarHBondContact O-N 2.69Å; R210-I214 WeakPolarHBondContact O-CG1 3.25Å; R210-I214 PolarHBondContact O-N 3.29Å; R210-I214 VanDerWaalsContact O-N 3.11Å |
| 211 | V | 94.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.024 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.6 | -43.3 | 173.8 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | P131 I145 L148 Y207 F208 Y209 L213 I214 K215 | P131-V211 HydrophobicContact CB-CG1 3.84Å; P131-V211 HydrophobicContact CG-CG1 4.06Å; I145-V211 HydrophobicContact CD1-CG1 3.82Å; I145-V211 HydrophobicContact CG1-CG1 4.24Å; I145-V211 HydrophobicContact CG1-CG2 4.36Å; I145-V211 HydrophobicContact CG2-CG2 4.07Å; L148-V211 HydrophobicContact CD1-CG2 3.8Å; Y207-V211 HydrophobicContact CD1-CG2 4.17Å; Y207-V211 HydrophobicContact CE1-CG2 3.78Å; Y207-V211 HydrophobicContact CE2-CG2 4.24Å; Y207-V211 WeakPolarHBondContact O-CG2 2.91Å; Y207-V211 PolarHBondContact O-N 2.74Å; F208-V211 PolarHBondContact O-N 2.68Å; Y209-V211 VanDerWaalsContact C-N 3.34Å; Y209-V211 PolarHBondContact O-N 3.22Å; V211-L213 VanDerWaalsContact C-N 3.33Å; V211-L213 PolarHBondContact O-N 3.48Å; V211-I214 PolarHBondContact O-N 3.17Å; V211-K215 HydrophobicContact CG1-CD 4.03Å; V211-K215 HydrophobicContact CG1-CG 4.42Å; V211-K215 WeakPolarHBondContact O-CG 3.5Å; V211-K215 PolarHBondContact O-N 3.08Å |
| 212 | S | 93.1 | Very high | 92.5 | Very high | 23 Ų | 23 | 39.4 Ų | 39.4 | 16% | 0.161 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.9 | -37.5 | 178.3 | 80.4 | 0 | 0 | 0 | 0 | 112.9 | F208 Y209 R210 K215 Q216 | F208-S212 WeakPolarHBondContact O-CB 3.32Å; F208-S212 PolarHBondContact O-N 3.4Å; Y209-S212 WeakPolarHBondContact O-CB 3.45Å; Y209-S212 PolarHBondContact O-N 2.81Å; Y209-S212 VanDerWaalsContact O-N 3.14Å; Y209-S212 PolarHBondContact O-OG 2.81Å; R210-S212 VanDerWaalsContact C-N 3.29Å; R210-S212 PolarHBondContact O-N 3.25Å; S212-K215 PolarHBondContact O-N 3.25Å; S212-Q216 WeakPolarHBondContact O-CB 3.48Å; S212-Q216 VanDerWaalsContact O-CG 3.29Å; S212-Q216 WeakPolarHBondContact O-CG 3.46Å; S212-Q216 PolarHBondContact O-N 3.44Å |
| 213 | L | 93.3 | Very high | 92.2 | Very high | 64 Ų | 64 | 43 Ų | 43 | 34% | 0.335 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.3 | -42.6 | 176.6 | -69.6 | 175.7 | 0 | 0 | 0 | 111.3 | Y209 R210 V211 Q216 S217 | Y209-L213 HydrophobicContact CD1-CD1 4.29Å; Y209-L213 HydrophobicContact CE1-CD1 3.69Å; Y209-L213 HydrophobicContact CE1-CG 4.32Å; Y209-L213 HydrophobicContact CE2-CD1 4.49Å; Y209-L213 HydrophobicContact CE2-CD2 4.28Å; Y209-L213 HydrophobicContact CE2-CG 4.28Å; Y209-L213 PolarHBondContact O-N 3.13Å; R210-L213 WeakPolarHBondContact O-CB 3.42Å; R210-L213 PolarHBondContact O-N 2.69Å; V211-L213 VanDerWaalsContact C-N 3.33Å; V211-L213 PolarHBondContact O-N 3.48Å; L213-Q216 PolarHBondContact O-N 2.94Å; L213-S217 WeakPolarHBondContact O-CB 3.2Å; L213-S217 PolarHBondContact O-N 3.32Å; L213-S217 PolarHBondContact O-OG 3.46Å |
| 214 | I | 93.3 | Very high | 91.8 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 10% | 0.103 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -50.8 | 175.1 | -66.3 | 168.1 | 0 | 0 | 0 | 109.6 | I141 Q144 I145 L148 R210 V211 Q216 S217 A218 | I141-I214 HydrophobicContact CG2-CG2 4.05Å; Q144-I214 HydrophobicContact CB-CD1 4.03Å; Q144-I214 HydrophobicContact CB-CG1 4.48Å; Q144-I214 HydrophobicContact CB-CG2 3.95Å; Q144-I214 VanDerWaalsContact OE1-CG2 3.31Å; I145-I214 HydrophobicContact CG1-CD1 3.9Å; I145-I214 HydrophobicContact CG1-CG2 4.26Å; L148-I214 HydrophobicContact CD1-CD1 3.66Å; L148-I214 HydrophobicContact CD2-CD1 3.99Å; L148-I214 HydrophobicContact CG-CD1 3.84Å; R210-I214 WeakPolarHBondContact O-CG1 3.25Å; R210-I214 PolarHBondContact O-N 3.29Å; R210-I214 VanDerWaalsContact O-N 3.11Å; V211-I214 PolarHBondContact O-N 3.17Å; I214-Q216 VanDerWaalsContact C-N 3.32Å; I214-Q216 PolarHBondContact O-N 2.94Å; I214-S217 PolarHBondContact O-N 3.42Å; I214-S217 VanDerWaalsContact O-N 3.11Å; I214-S217 PolarHBondContact O-OG 2.91Å; I214-A218 PolarHBondContact O-N 3.36Å |
| 215 | K | 90.7 | Very high | 91.3 | Very high | 60 Ų | 60 | 46.9 Ų | 46.9 | 26% | 0.261 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57 | -44.3 | 178.5 | -69.8 | 177.5 | 69.9 | 152.1 | 0 | 112.3 | P131 Y135 V211 S212 A218 Q219 | P131-K215 HydrophobicContact CB-CD 4.2Å; P131-K215 VanDerWaalsContact O-CE 3.25Å; P131-K215 WeakPolarHBondContact O-CE 3.4Å; P131-K215 PolarHBondContact O-NZ 3.41Å; Y135-K215 HydrophobicContact CE2-CG 4.43Å; Y135-K215 WeakPolarHBondContact OH-CE 3.06Å; V211-K215 HydrophobicContact CG1-CD 4.03Å; V211-K215 HydrophobicContact CG1-CG 4.42Å; V211-K215 WeakPolarHBondContact O-CG 3.5Å; V211-K215 PolarHBondContact O-N 3.08Å; S212-K215 PolarHBondContact O-N 3.25Å; K215-A218 PolarHBondContact O-N 2.94Å; K215-Q219 WeakPolarHBondContact O-CG 3.49Å; K215-Q219 PolarHBondContact O-N 3.23Å; K215-Q219 VanDerWaalsContact O-N 3.17Å |
| 216 | Q | 90.9 | Very high | 90.9 | Very high | 109 Ų | 109 | 48.3 Ų | 48.3 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 176.5 | -75.8 | 177.5 | -23.5 | 0 | 0 | 111.8 | S212 L213 I214 A218 Q219 L220 | S212-Q216 WeakPolarHBondContact O-CB 3.48Å; S212-Q216 VanDerWaalsContact O-CG 3.29Å; S212-Q216 WeakPolarHBondContact O-CG 3.46Å; S212-Q216 PolarHBondContact O-N 3.44Å; L213-Q216 PolarHBondContact O-N 2.94Å; I214-Q216 VanDerWaalsContact C-N 3.32Å; I214-Q216 PolarHBondContact O-N 2.94Å; Q216-A218 VanDerWaalsContact C-N 3.34Å; Q216-A218 PolarHBondContact O-N 3.39Å; Q216-Q219 PolarHBondContact O-N 2.88Å; Q216-L220 WeakPolarHBondContact O-CG 3.31Å; Q216-L220 PolarHBondContact O-N 3.45Å; Q216-L220 VanDerWaalsContact O-N 3.14Å |
| 217 | S | 91.4 | Very high | 90.5 | Very high | 53 Ų | 53 | 53.9 Ų | 53.9 | 37% | 0.371 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.9 | -42 | 178.4 | 73.1 | 0 | 0 | 0 | 0 | 111.9 | L213 I214 Q219 L220 T221 | L213-S217 WeakPolarHBondContact O-CB 3.2Å; L213-S217 PolarHBondContact O-N 3.32Å; L213-S217 PolarHBondContact O-OG 3.46Å; I214-S217 PolarHBondContact O-N 3.42Å; I214-S217 VanDerWaalsContact O-N 3.11Å; I214-S217 PolarHBondContact O-OG 2.91Å; S217-Q219 PolarHBondContact O-N 3.25Å; S217-L220 PolarHBondContact O-N 3.31Å; S217-T221 PolarHBondContact O-N 3.35Å; S217-T221 PolarHBondContact O-OG1 2.89Å |
| 218 | A | 88.7 | Confident | 90 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 7% | 0.066 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | I141 I214 K215 Q216 T221 A222 | I141-A218 HydrophobicContact CD1-CB 3.43Å; I141-A218 VanDerWaalsContact CD1-CB 3.43Å; I141-A218 HydrophobicContact CG1-CB 3.66Å; I214-A218 PolarHBondContact O-N 3.36Å; K215-A218 PolarHBondContact O-N 2.94Å; Q216-A218 VanDerWaalsContact C-N 3.34Å; Q216-A218 PolarHBondContact O-N 3.39Å; A218-T221 PolarHBondContact O-N 3.25Å; A218-A222 WeakPolarHBondContact O-CB 3.26Å; A218-A222 PolarHBondContact O-N 3.08Å |
| 219 | Q | 86.9 | Confident | 89.6 | Confident | 97 Ų | 97 | 64.3 Ų | 64.3 | 45% | 0.453 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 173.9 | -70 | 178.3 | -32.7 | 0 | 0 | 111.9 | Y135 K215 Q216 S217 A222 L223 | Y135-Q219 HydrophobicContact CD1-CG 4.25Å; Y135-Q219 HydrophobicContact CE1-CG 3.54Å; K215-Q219 WeakPolarHBondContact O-CG 3.49Å; K215-Q219 PolarHBondContact O-N 3.23Å; K215-Q219 VanDerWaalsContact O-N 3.17Å; Q216-Q219 PolarHBondContact O-N 2.88Å; S217-Q219 PolarHBondContact O-N 3.25Å; Q219-A222 PolarHBondContact O-N 3.03Å; Q219-L223 WeakPolarHBondContact O-CG 3.43Å; Q219-L223 PolarHBondContact O-N 3.39Å |
| 220 | L | 86.9 | Confident | 89 | Confident | 121 Ų | 121 | 67.8 Ų | 67.8 | 63% | 0.634 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.7 | -42 | 177.9 | -66.5 | 174.2 | 0 | 0 | 0 | 111.3 | Q216 S217 L223 A224 | Q216-L220 WeakPolarHBondContact O-CG 3.31Å; Q216-L220 PolarHBondContact O-N 3.45Å; Q216-L220 VanDerWaalsContact O-N 3.14Å; S217-L220 PolarHBondContact O-N 3.31Å; L220-L223 PolarHBondContact O-N 2.98Å; L220-A224 WeakPolarHBondContact O-CB 3.36Å; L220-A224 PolarHBondContact O-N 3.32Å |
| 221 | T | 88.4 | Confident | 88.5 | Confident | 70 Ų | 70 | 70.7 Ų | 70.7 | 43% | 0.429 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 174.4 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | S217 A218 L223 A224 A225 | S217-T221 PolarHBondContact O-N 3.35Å; S217-T221 PolarHBondContact O-OG1 2.89Å; A218-T221 PolarHBondContact O-N 3.25Å; T221-L223 PolarHBondContact O-N 2.84Å; T221-A224 PolarHBondContact O-N 3.26Å; T221-A225 WeakPolarHBondContact O-CB 3.28Å; T221-A225 PolarHBondContact O-N 3.3Å |
| 222 | A | 85.8 | Confident | 87.8 | Confident | 27 Ų | 27 | 76.1 Ų | 76.1 | 22% | 0.223 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61.1 | -41.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A218 Q219 H226 | A218-A222 WeakPolarHBondContact O-CB 3.26Å; A218-A222 PolarHBondContact O-N 3.08Å; Q219-A222 PolarHBondContact O-N 3.03Å; A222-H226 WeakPolarHBondContact O-CB 3.35Å; A222-H226 PolarHBondContact O-N 3.11Å; A222-H226 VanDerWaalsContact O-N 3.08Å |
| 223 | L | 87 | Confident | 87.1 | Confident | 107 Ų | 107 | 81.3 Ų | 81.3 | 56% | 0.56 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -66.6 | -40.2 | 176.1 | -71 | 176 | 0 | 0 | 0 | 112.3 | Q219 L220 T221 H226 Q227 | Q219-L223 WeakPolarHBondContact O-CG 3.43Å; Q219-L223 PolarHBondContact O-N 3.39Å; L220-L223 PolarHBondContact O-N 2.98Å; T221-L223 PolarHBondContact O-N 2.84Å; L223-H226 PolarHBondContact O-N 3.17Å; L223-Q227 PolarHBondContact O-N 2.98Å; L223-Q227 VanDerWaalsContact O-N 3.09Å |
| 224 | A | 87.7 | Confident | 86 | Confident | 46 Ų | 46 | 84.8 Ų | 84.8 | 38% | 0.38 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.9 | -44.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | L220 T221 H226 Q227 Q228 | L220-A224 WeakPolarHBondContact O-CB 3.36Å; L220-A224 PolarHBondContact O-N 3.32Å; T221-A224 PolarHBondContact O-N 3.26Å; A224-H226 VanDerWaalsContact C-N 3.28Å; A224-H226 PolarHBondContact O-N 2.84Å; A224-Q227 PolarHBondContact O-N 3.34Å; A224-Q228 WeakPolarHBondContact O-CG 3.28Å; A224-Q228 PolarHBondContact O-N 3.41Å; A224-Q228 VanDerWaalsContact O-N 3.09Å |
| 225 | A | 86.6 | Confident | 84.5 | Confident | 39 Ų | 39 | 91 Ų | 91 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.8 | -40.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T221 Q228 Q229 | T221-A225 WeakPolarHBondContact O-CB 3.28Å; T221-A225 PolarHBondContact O-N 3.3Å; A225-Q228 PolarHBondContact O-N 3.32Å; A225-Q229 WeakPolarHBondContact O-CG 3.33Å; A225-Q229 PolarHBondContact O-N 3.17Å; A225-Q229 VanDerWaalsContact O-N 3.07Å |
| 226 | H | 85.8 | Confident | 83 | Confident | 99 Ų | 99 | 95.9 Ų | 95.9 | 46% | 0.458 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.2 | -166.7 | 68.2 | 0 | 0 | 0 | 112.9 | A222 L223 A224 Q229 Q230 | A222-H226 WeakPolarHBondContact O-CB 3.35Å; A222-H226 PolarHBondContact O-N 3.11Å; A222-H226 VanDerWaalsContact O-N 3.08Å; L223-H226 PolarHBondContact O-N 3.17Å; A224-H226 VanDerWaalsContact C-N 3.28Å; A224-H226 PolarHBondContact O-N 2.84Å; H226-Q229 PolarHBondContact O-N 2.65Å; H226-Q230 PolarHBondContact CD2-NE2 3.21Å; H226-Q230 PolarHBondContact NE2-NE2 2.54Å; H226-Q230 WeakPolarHBondContact O-CG 3.25Å; H226-Q230 PolarHBondContact O-N 2.85Å |
| 227 | Q | 86.8 | Confident | 81.2 | Confident | 117 Ų | 117 | 99.5 Ų | 99.5 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 176.1 | -73.7 | -178.8 | 32.1 | 0 | 0 | 112.4 | L223 A224 Q229 Q230 Q231 | L223-Q227 PolarHBondContact O-N 2.98Å; L223-Q227 VanDerWaalsContact O-N 3.09Å; A224-Q227 PolarHBondContact O-N 3.34Å; Q227-Q229 VanDerWaalsContact C-N 3.35Å; Q227-Q230 PolarHBondContact O-N 3.1Å; Q227-Q231 WeakPolarHBondContact O-CG 3.48Å; Q227-Q231 PolarHBondContact O-N 2.9Å |
| 228 | Q | 86.4 | Confident | 79.3 | Confident | 115 Ų | 115 | 104.4 Ų | 104.4 | 54% | 0.537 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 177.1 | -70.5 | 178.1 | 1.3 | 0 | 0 | 111.7 | A224 A225 Q230 Q231 Q232 | A224-Q228 WeakPolarHBondContact O-CG 3.28Å; A224-Q228 PolarHBondContact O-N 3.41Å; A224-Q228 VanDerWaalsContact O-N 3.09Å; A225-Q228 PolarHBondContact O-N 3.32Å; Q228-Q230 PolarHBondContact O-N 3.27Å; Q228-Q231 PolarHBondContact O-N 3.07Å; Q228-Q232 WeakPolarHBondContact O-CG 3.48Å; Q228-Q232 PolarHBondContact O-N 2.91Å |
| 229 | Q | 86 | Confident | 77.6 | Confident | 108 Ų | 108 | 107.4 Ų | 107.4 | 51% | 0.505 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.2 | -40.4 | 175.4 | -74.9 | 178.6 | -8.2 | 0 | 0 | 112.3 | A225 H226 Q227 Q232 Q233 | A225-Q229 WeakPolarHBondContact O-CG 3.33Å; A225-Q229 PolarHBondContact O-N 3.17Å; A225-Q229 VanDerWaalsContact O-N 3.07Å; H226-Q229 PolarHBondContact O-N 2.65Å; Q227-Q229 VanDerWaalsContact C-N 3.35Å; Q229-Q232 PolarHBondContact O-N 3.34Å; Q229-Q233 WeakPolarHBondContact O-CG 3.48Å; Q229-Q233 PolarHBondContact O-N 2.99Å; Q229-Q233 VanDerWaalsContact O-N 3.1Å |
| 230 | Q | 84.6 | Confident | 75.8 | Confident | 88 Ų | 88 | 105.8 Ų | 105.8 | 41% | 0.411 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.5 | -39.8 | 176.1 | -71.9 | -174.5 | 18.7 | 0 | 0 | 112.6 | H226 Q227 Q228 Q233 Q234 | H226-Q230 PolarHBondContact CD2-NE2 3.21Å; H226-Q230 PolarHBondContact NE2-NE2 2.54Å; H226-Q230 WeakPolarHBondContact O-CG 3.25Å; H226-Q230 PolarHBondContact O-N 2.85Å; Q227-Q230 PolarHBondContact O-N 3.1Å; Q228-Q230 PolarHBondContact O-N 3.27Å; Q230-Q233 PolarHBondContact O-N 3.25Å; Q230-Q234 PolarHBondContact O-N 3.3Å |
| 231 | Q | 83.9 | Confident | 73.9 | Confident | 109 Ų | 109 | 109.8 Ų | 109.8 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.6 | -39.6 | 177.6 | -71.6 | 175.1 | 31.1 | 0 | 0 | 112 | Q227 Q228 Q234 Q235 | Q227-Q231 WeakPolarHBondContact O-CG 3.48Å; Q227-Q231 PolarHBondContact O-N 2.9Å; Q228-Q231 PolarHBondContact O-N 3.07Å; Q231-Q234 PolarHBondContact O-N 3.26Å; Q231-Q235 PolarHBondContact O-N 2.91Å; Q231-Q235 VanDerWaalsContact O-N 3.14Å |
| 232 | Q | 80.6 | Confident | 71.6 | Confident | 119 Ų | 119 | 110.3 Ų | 110.3 | 56% | 0.556 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66 | -37.3 | 175.5 | -70.5 | 174.8 | 33.5 | 0 | 0 | 112.1 | Q228 Q229 Q236 | Q228-Q232 WeakPolarHBondContact O-CG 3.48Å; Q228-Q232 PolarHBondContact O-N 2.91Å; Q229-Q232 PolarHBondContact O-N 3.34Å; Q232-Q236 PolarHBondContact O-N 3.28Å |
| 233 | Q | 76.6 | Confident | 69.7 | Low | 131 Ų | 131 | 113 Ų | 113 | 61% | 0.612 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.2 | -33.1 | 176.9 | -72.5 | 176.7 | 39.4 | 0 | 0 | 113.1 | Q229 Q230 Q236 K237 | Q229-Q233 WeakPolarHBondContact O-CG 3.48Å; Q229-Q233 PolarHBondContact O-N 2.99Å; Q229-Q233 VanDerWaalsContact O-N 3.1Å; Q230-Q233 PolarHBondContact O-N 3.25Å; Q233-Q236 PolarHBondContact O-N 3.47Å; Q233-K237 PolarHBondContact O-N 3.17Å |
| 234 | Q | 70.2 | Confident | 67.5 | Low | 137 Ų | 137 | 114.8 Ų | 114.8 | 64% | 0.64 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -71 | -37.1 | 174.5 | -77.8 | 176.4 | 18.6 | 0 | 0 | 112.3 | Q230 Q231 Q236 K237 D238 | Q230-Q234 PolarHBondContact O-N 3.3Å; Q231-Q234 PolarHBondContact O-N 3.26Å; Q234-Q236 VanDerWaalsContact C-N 3.28Å; Q234-Q236 PolarHBondContact O-N 3Å; Q234-K237 PolarHBondContact O-N 3.26Å; Q234-K237 VanDerWaalsContact O-N 3.15Å; Q234-D238 PolarHBondContact O-N 3.46Å |
| 235 | Q | 61.7 | Low | 65.6 | Low | 151 Ų | 151 | 117.7 Ų | 117.7 | 71% | 0.706 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67 | -27.6 | 174.9 | -75 | 175.9 | 27.3 | 0 | 0 | 113.2 | Q231 | Q231-Q235 PolarHBondContact O-N 2.91Å; Q231-Q235 VanDerWaalsContact O-N 3.14Å |
| 236 | Q | 59.5 | Low | 63.2 | Low | 162 Ų | 162 | 122.3 Ų | 122.3 | 76% | 0.757 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -79.1 | -19.8 | 172.7 | -74.4 | -177.8 | 10.4 | 0 | 0 | 113.7 | Q232 Q233 Q234 | Q232-Q236 PolarHBondContact O-N 3.28Å; Q233-Q236 PolarHBondContact O-N 3.47Å; Q234-Q236 VanDerWaalsContact C-N 3.28Å; Q234-Q236 PolarHBondContact O-N 3Å |
| 237 | K | 54.7 | Low | 60.9 | Low | 185 Ų | 185 | 122.8 Ų | 122.8 | 80% | 0.804 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -90.8 | -19.8 | -176.6 | -140.7 | 178.5 | -174.7 | -177.6 | 0 | 114.1 | Q233 Q234 | Q233-K237 PolarHBondContact O-N 3.17Å; Q234-K237 PolarHBondContact O-N 3.26Å; Q234-K237 VanDerWaalsContact O-N 3.15Å |
| 238 | D | 51.3 | Low | 59.2 | Low | 157 Ų | 157 | 122.5 Ų | 122.5 | 84% | 0.84 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -94.5 | -0.2 | 177.7 | -153.2 | 37.3 | 0 | 0 | 0 | 113.3 | Q234 | Q234-D238 PolarHBondContact O-N 3.46Š|
| 239 | G | 52 | Low | 56.9 | Low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -96 | 13.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 240 | G | 49.6 | Very low | 54.6 | Low | 63 Ų | 63 | 126.5 Ų | 126.5 | 65% | 0.649 | 73% | 0.73 | S | S | * | * | trans | -122.4 | 55.3 | -164 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 241 | E | 46.2 | Very low | 52.4 | Low | 205 Ų | 205 | 128.6 Ų | 128.6 | 96% | 0.958 | 74% | 0.742 | S | S | * | * | trans | -131.3 | 107.3 | 154.8 | -86.9 | -168.1 | 124 | 0 | 0 | 109.9 | ||||
| 242 | G | 40.2 | Very low | 50 | Low | 80 Ų | 80 | 129 Ų | 129 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | 147.5 | 75.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 243 | G | 47.1 | Very low | 48.2 | Very low | 83 Ų | 83 | 130.9 Ų | 130.9 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -62.9 | 140.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 244 | D | 39 | Very low | 46.2 | Very low | 146 Ų | 146 | 134.4 Ų | 134.4 | 78% | 0.781 | 78% | 0.779 | S | S | * | * | -165.9 | 147 | 121.5 | -166.8 | 27.9 | 0 | 0 | 0 | 109 | V246 | D244-V246 PolarHBondContact O-N 2.98Š| |||
| 245 | S | 48.4 | Very low | 44.8 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -68.9 | 118.6 | 178.4 | 175.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 246 | V | 36.5 | Very low | 43.6 | Very low | 136 Ų | 136 | 134 Ų | 134 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -149 | 130.3 | 161.4 | -107.2 | 0 | 0 | 0 | 0 | 113.6 | D244 | D244-V246 PolarHBondContact O-N 2.98Š| ||
| 247 | S | 37.7 | Very low | 42.5 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -53.1 | 156.2 | 171.6 | -168.3 | 0 | 0 | 0 | 0 | 112.6 | D249 | S247-D249 PolarHBondContact O-N 3.45Š| ||
| 248 | P | 51.6 | Low | 41.7 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -88.4 | 109.3 | -171.3 | 33.1 | -24.4 | 0 | 0 | 0 | 109.5 | ||||
| 249 | D | 37.6 | Very low | 40.9 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -161 | 115.9 | 151.2 | -92.6 | -43 | 0 | 0 | 0 | 109.6 | S247 | S247-D249 PolarHBondContact O-N 3.45Š| ||
| 250 | D | 36.8 | Very low | 40.1 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | trans | 87.7 | 137.6 | 141.2 | -140.7 | 9 | 0 | 0 | 0 | 120.8 | ||||
| 251 | I | 38.3 | Very low | 39.6 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 67% | 0.672 | 79% | 0.786 | S | S | * | * | trans | 92.7 | 100.1 | 150.7 | -47.9 | -168.4 | 0 | 0 | 0 | 121 | ||||
| 252 | V | 34 | Very low | 39.2 | Very low | 119 Ų | 119 | 133 Ų | 133 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | 80.6 | 119.9 | 124.3 | 178.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 253 | L | 43.2 | Very low | 38.8 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 15 | 121.3 | 137.3 | -57.7 | 159.9 | 0 | 0 | 0 | 118.9 | ||||
| 254 | K | 35.1 | Very low | 38.4 | Very low | 206 Ų | 206 | 137.5 Ų | 137.5 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | -140.2 | 106.6 | 137.8 | -102.2 | 173.3 | -175.5 | 168.6 | 0 | 110.6 | ||||
| 255 | D | 41 | Very low | 38.1 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -65.6 | 134.2 | 164.1 | 173.4 | 17.6 | 0 | 0 | 0 | 110.6 | R257 | D255-R257 PolarHBondContact OD1-N 3.26Š| ||
| 256 | V | 35.8 | Very low | 37.5 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -142.1 | 74.9 | 156.2 | -140 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 257 | R | 35.9 | Very low | 37.5 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 63% | 0.63 | 78% | 0.784 | S | S | * | * | trans | 9.1 | 140.3 | 136.6 | -175.7 | 174 | -167.1 | 160.7 | 5.9 | 120.2 | D255 K259 | D255-R257 PolarHBondContact OD1-N 3.26Å; R257-K259 HydrophobicContact CG-CG 4.39Å | ||
| 258 | P | 38.3 | Very low | 37.4 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -101.7 | 139.5 | 138.8 | 1.9 | 18.2 | 0 | 0 | 0 | 112.6 | ||||
| 259 | K | 35.5 | Very low | 36.6 | Very low | 161 Ų | 161 | 146 Ų | 146 | 70% | 0.7 | 80% | 0.795 | S | S | * | * | trans | -86.9 | 138.9 | 178 | -78.4 | 166.9 | 169.7 | 168 | 0 | 110.7 | R257 | R257-K259 HydrophobicContact CG-CG 4.39Š| ||
| 260 | T | 34 | Very low | 36.3 | Very low | 130 Ų | 130 | 147.8 Ų | 147.8 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | 169.7 | 171.8 | 95.2 | 42.6 | 0 | 0 | 0 | 0 | 109 | |||||
| 261 | P | 38.3 | Very low | 36 | Very low | 114 Ų | 114 | 144.7 Ų | 144.7 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | -113.8 | 164.8 | -62.1 | 36.7 | -22.4 | 0 | 0 | 0 | 112.8 | |||||
| 262 | P | 38.7 | Very low | 35.4 | Very low | 124 Ų | 124 | 144 Ų | 144 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 136.2 | -175.9 | 35.4 | -29.5 | 0 | 0 | 0 | 113 | ||
| 263 | V | 31.8 | Very low | 35.2 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 129.1 | 165.9 | -149.7 | 0 | 0 | 0 | 0 | 108.2 | ||
| 264 | S | 37.7 | Very low | 35 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 140.6 | -179.8 | -68.9 | 0 | 0 | 0 | 0 | 112.1 | ||
| 265 | I | 33.7 | Very low | 35.4 | Very low | 166 Ų | 166 | 143.5 Ų | 143.5 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -123.8 | 122.8 | 158 | -61.1 | 179.4 | 0 | 0 | 0 | 107.1 | ||||
| 266 | S | 34.9 | Very low | 35.3 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -86.8 | 137.8 | 173.7 | -56.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 267 | D | 36.7 | Very low | 35.3 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | trans | -64.6 | 133.2 | 170.5 | -68.4 | -66 | 0 | 0 | 0 | 112.8 | ||||
| 268 | I | 35.5 | Very low | 35.5 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -134.1 | 128.1 | 153.8 | -80 | 172.6 | 0 | 0 | 0 | 109.1 | ||||
| 269 | Q | 35.8 | Very low | 35.7 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -86.4 | 147.7 | 178.5 | -63.5 | 173.8 | -19.6 | 0 | 0 | 112.4 | ||||
| 270 | K | 30.3 | Very low | 35.7 | Very low | 198 Ų | 198 | 145.8 Ų | 145.8 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | 109.1 | 112.3 | 131.5 | -157.4 | 171 | -173.2 | -176.3 | 0 | 120.1 | ||||
| 271 | A | 30.6 | Very low | 35.9 | Very low | 82 Ų | 82 | 146.3 Ų | 146.3 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | 62.6 | 112.1 | 140.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 272 | S | 27.6 | Very low | 35.9 | Very low | 116 Ų | 116 | 146.5 Ų | 146.5 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | 162.1 | 149 | 91.5 | 47.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 273 | H | 28.6 | Very low | 36.5 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 90.8 | 100.4 | 157.7 | -141.9 | -61.6 | 0 | 0 | 0 | 119.6 | ||||
| 274 | E | 38.5 | Very low | 37.1 | Very low | 146 Ų | 146 | 143 Ų | 143 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | trans | 35 | 131.9 | 138.6 | -47.8 | 177.8 | 172.6 | 0 | 0 | 122.3 | ||||
| 275 | E | 44.3 | Very low | 37.7 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 83.1 | 125.5 | 150.7 | -69.1 | 175.5 | -177.1 | 0 | 0 | 119 | ||||
| 276 | E | 38.9 | Very low | 38.6 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 86.8 | 133.9 | 159.3 | -38.2 | -155.7 | 157.3 | 0 | 0 | 119.5 | ||||
| 277 | E | 35.2 | Very low | 39.4 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | 76.8 | 108.1 | 161.4 | -63.7 | -173.7 | 176.4 | 0 | 0 | 121.7 | ||||
| 278 | E | 40.7 | Very low | 39.8 | Very low | 164 Ų | 164 | 147.5 Ų | 147.5 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | 91 | 132.1 | 129.2 | -68.5 | -157.2 | -174 | 0 | 0 | 123.7 | |||||
| 279 | I | 41.4 | Very low | 40.7 | Very low | 159 Ų | 159 | 145.5 Ų | 145.5 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | trans | 68.1 | 110.4 | 151.6 | 64.8 | 155.6 | 0 | 0 | 0 | 122 | ||||
| 280 | S | 36.4 | Very low | 41.5 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | 175.9 | 94.2 | 127.9 | 171.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 281 | T | 37.9 | Very low | 42.1 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -145 | 132.1 | 134.4 | 60.7 | 0 | 0 | 0 | 0 | 110 | ||
| 282 | S | 39.4 | Very low | 43.2 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -39.2 | 152.6 | 176 | -165 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 283 | P | 50.7 | Low | 44.3 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -91.7 | 132.6 | -155.8 | 34.3 | -28.7 | 0 | 0 | 0 | 112.8 | ||||
| 284 | G | 43.6 | Very low | 45.2 | Very low | 70 Ų | 70 | 140.8 Ų | 140.8 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -164.9 | 98.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 285 | V | 51.1 | Low | 45.9 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 46.3 | 94.1 | 155.5 | -178.5 | 0 | 0 | 0 | 0 | 116 | ||
| 286 | S | 51.9 | Low | 46.2 | Very low | 108 Ų | 108 | 135.2 Ų | 135.2 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | trans | 157.7 | 91.5 | 133.3 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 287 | E | 52.4 | Low | 47.2 | Very low | 188 Ų | 188 | 130.9 Ų | 130.9 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -145.6 | 92.7 | 158.9 | -104.2 | 179.4 | 174.6 | 0 | 0 | 108.8 | ||||
| 288 | F | 44.8 | Very low | 48.4 | Very low | 194 Ų | 194 | 128.8 Ų | 128.8 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | trans | -154.3 | 72.2 | 136.8 | -134.5 | -95 | 0 | 0 | 0 | 108.5 | S290 | F288-S290 VanDerWaalsContact CE1-OG 3.3Å; F288-S290 WeakPolarHBondContact CE1-OG 2.99Å | ||
| 289 | V | 55 | Low | 49.7 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | -87.5 | 109.8 | 157 | 179.8 | 0 | 0 | 0 | 0 | 105.1 | D291 | V289-D291 PolarHBondContact O-N 2.83Š| ||
| 290 | S | 51.4 | Low | 50.8 | Low | 84 Ų | 84 | 125.1 Ų | 125.1 | 59% | 0.587 | 75% | 0.753 | S | S | * | * | trans | -82.1 | 97.7 | 170.2 | -74.1 | 0 | 0 | 0 | 0 | 109.6 | F288 A292 | F288-S290 VanDerWaalsContact CE1-OG 3.3Å; F288-S290 WeakPolarHBondContact CE1-OG 2.99Å; S290-A292 PolarHBondContact O-N 3.42Å | ||
| 291 | D | 44.2 | Very low | 52.3 | Low | 148 Ų | 148 | 123.8 Ų | 123.8 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | -70.1 | 55.3 | 164.4 | -168.5 | 17.8 | 0 | 0 | 0 | 111.6 | V289 | V289-D291 PolarHBondContact O-N 2.83Š| ||
| 292 | A | 54 | Low | 54 | Low | 76 Ų | 76 | 122 Ų | 122 | 63% | 0.628 | 72% | 0.72 | S | S | * | * | trans | -131.7 | 18.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | S290 | S290-A292 PolarHBondContact O-N 3.42Š| ||
| 293 | F | 49.5 | Very low | 55.7 | Low | 172 Ų | 172 | 120.5 Ų | 120.5 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -144.1 | 18.4 | 171.3 | -117.8 | -84.8 | 0 | 0 | 0 | 116.3 | S295 T296 | F293-S295 VanDerWaalsContact C-N 3.26Å; F293-S295 PolarHBondContact O-N 3Å; F293-T296 HydrophobicContact CE1-CG2 4.31Å |
| 294 | D | 47.7 | Very low | 56.6 | Low | 154 Ų | 154 | 121.2 Ų | 121.2 | 82% | 0.824 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -89.5 | 23.3 | 176.3 | -155.2 | 24.5 | 0 | 0 | 0 | 114.1 | ||
| 295 | S | 52.9 | Low | 58.1 | Low | 113 Ų | 113 | 124.1 Ų | 124.1 | 79% | 0.79 | 68% | 0.681 | S | S | * | * | trans | -140.2 | 53.6 | 175.5 | 47.6 | 0 | 0 | 0 | 0 | 112.7 | F293 | F293-S295 VanDerWaalsContact C-N 3.26Å; F293-S295 PolarHBondContact O-N 3Å | ||
| 296 | T | 50.4 | Low | 59.1 | Low | 85 Ų | 85 | 122.7 Ų | 122.7 | 52% | 0.521 | 66% | 0.664 | S | S | . | * | trans | -111 | 100 | 144.9 | 55.1 | 0 | 0 | 0 | 0 | 107.3 | F293 I298 | F293-T296 HydrophobicContact CE1-CG2 4.31Å; T296-I298 PolarHBondContact O-N 3.1Å | ||
| 297 | G | 61 | Low | 59.7 | Low | 83 Ų | 83 | 123.8 Ų | 123.8 | 86% | 0.856 | 66% | 0.659 | S | S | * | * | trans | -66.1 | 80.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | N299 | G297-N299 PolarHBondContact O-N 3.29Š| ||
| 298 | I | 60.5 | Low | 60.2 | Low | 125 Ų | 125 | 120 Ų | 120 | 64% | 0.641 | 64% | 0.641 | S | S | * | * | trans | -70 | 103.6 | 171.9 | -63.5 | 171.7 | 0 | 0 | 0 | 106 | T296 H300 L303 | T296-I298 PolarHBondContact O-N 3.1Å; I298-H300 PolarHBondContact O-N 3.04Å; I298-L303 HydrophobicContact CG2-CD1 3.78Å | ||
| 299 | N | 67.8 | Low | 61 | Low | 91 Ų | 91 | 116.9 Ų | 116.9 | 49% | 0.487 | 63% | 0.63 | S | S | . | * | trans | -69.6 | 115.2 | 178.4 | -172.6 | -14.9 | 0 | 0 | 0 | 108.4 | G297 E301 D302 L303 | G297-N299 PolarHBondContact O-N 3.29Å; N299-E301 PolarHBondContact O-N 3.36Å; N299-E301 VanDerWaalsContact OD1-CB 3.29Å; N299-E301 WeakPolarHBondContact OD1-CB 3.3Å; N299-E301 PolarHBondContact OD1-N 3.35Å; N299-E301 VanDerWaalsContact OD1-N 3.09Å; N299-D302 HydrophobicContact CB-CB 4.27Å; N299-D302 PolarHBondContact O-N 2.93Å; N299-L303 PolarHBondContact O-N 3.48Å | ||
| 300 | H | 63.7 | Low | 61.2 | Low | 155 Ų | 155 | 116.9 Ų | 116.9 | 72% | 0.718 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -59 | -21 | -178.9 | -150.6 | -76.7 | 0 | 0 | 0 | 112.5 | I298 R304 | I298-H300 PolarHBondContact O-N 3.04Å; H300-R304 WeakPolarHBondContact O-CB 3.48Å; H300-R304 PolarHBondContact O-N 3.21Å |
| 301 | E | 69.2 | Low | 61.2 | Low | 89 Ų | 89 | 117.8 Ų | 117.8 | 42% | 0.416 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -77.4 | -31.2 | 175 | -155.3 | 71.6 | -173.1 | 0 | 0 | 112.6 | N299 R304 K305 | N299-E301 PolarHBondContact O-N 3.36Å; N299-E301 VanDerWaalsContact OD1-CB 3.29Å; N299-E301 WeakPolarHBondContact OD1-CB 3.3Å; N299-E301 PolarHBondContact OD1-N 3.35Å; N299-E301 VanDerWaalsContact OD1-N 3.09Å; E301-R304 VanDerWaalsContact CD-NH1 3.32Å; E301-R304 IonicContact OE1-CZ 3Å; E301-R304 IonicContact OE1-NE 3.19Å; E301-R304 IonicContact OE1-NH1 3.93Å; E301-R304 PolarHBondContact OE1-NH1 3.44Å; E301-R304 IonicContact OE1-NH2 2.67Å; E301-R304 IonicContact OE2-NH1 2.65Å; E301-R304 PolarHBondContact OE2-NH1 3.39Å; E301-K305 PolarHBondContact O-N 2.96Å |
| 302 | D | 73.6 | Confident | 61.4 | Low | 102 Ų | 102 | 116 Ų | 116 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -73.6 | -39.2 | 174.6 | -79.7 | -22.6 | 0 | 0 | 0 | 110.9 | N299 R304 K305 E306 | N299-D302 HydrophobicContact CB-CB 4.27Å; N299-D302 PolarHBondContact O-N 2.93Å; D302-R304 VanDerWaalsContact C-N 3.3Å; D302-R304 PolarHBondContact O-N 2.91Å; D302-K305 PolarHBondContact O-N 3.39Å; D302-E306 PolarHBondContact O-N 2.99Å |
| 303 | L | 73.4 | Confident | 61 | Low | 88 Ų | 88 | 119.1 Ų | 119.1 | 46% | 0.461 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.1 | -38.9 | 175.3 | -144.4 | 102.5 | 0 | 0 | 0 | 111.7 | I298 N299 E306 M307 | I298-L303 HydrophobicContact CG2-CD1 3.78Å; N299-L303 PolarHBondContact O-N 3.48Å; L303-E306 PolarHBondContact O-N 3.24Å; L303-M307 PolarHBondContact O-N 3.44Å; L303-M307 VanDerWaalsContact O-N 3.09Å |
| 304 | R | 70.8 | Confident | 61.2 | Low | 141 Ų | 141 | 119 Ų | 119 | 53% | 0.532 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.8 | -43.8 | 173.7 | 140.5 | 176.1 | 178.4 | -158.3 | -8.5 | 111.6 | H300 E301 D302 E306 M307 E308 | H300-R304 WeakPolarHBondContact O-CB 3.48Å; H300-R304 PolarHBondContact O-N 3.21Å; E301-R304 VanDerWaalsContact CD-NH1 3.32Å; E301-R304 IonicContact OE1-CZ 3Å; E301-R304 IonicContact OE1-NE 3.19Å; E301-R304 IonicContact OE1-NH1 3.93Å; E301-R304 PolarHBondContact OE1-NH1 3.44Å; E301-R304 IonicContact OE1-NH2 2.67Å; E301-R304 IonicContact OE2-NH1 2.65Å; E301-R304 PolarHBondContact OE2-NH1 3.39Å; D302-R304 VanDerWaalsContact C-N 3.3Å; D302-R304 PolarHBondContact O-N 2.91Å; R304-E306 VanDerWaalsContact C-N 3.33Å; R304-M307 PolarHBondContact O-N 2.89Å; R304-E308 WeakPolarHBondContact O-CB 3.47Å; R304-E308 PolarHBondContact O-N 3.26Å |
| 305 | K | 75.1 | Confident | 61.2 | Low | 130 Ų | 130 | 119.3 Ų | 119.3 | 57% | 0.565 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.6 | -37.2 | 177.6 | -96 | 179.5 | 173.1 | 177.8 | 0 | 112 | E301 D302 E308 Q309 | E301-K305 PolarHBondContact O-N 2.96Å; D302-K305 PolarHBondContact O-N 3.39Å; K305-E308 PolarHBondContact O-N 2.99Å; K305-Q309 VanDerWaalsContact O-CB 3.31Å; K305-Q309 WeakPolarHBondContact O-CB 3.3Å; K305-Q309 PolarHBondContact O-N 3.01Å |
| 306 | E | 72.1 | Confident | 61.1 | Low | 122 Ų | 122 | 121.9 Ų | 121.9 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.7 | -42.2 | 176.7 | -165 | -178.7 | -175.3 | 0 | 0 | 111.5 | D302 L303 R304 E308 Q309 L310 | D302-E306 PolarHBondContact O-N 2.99Å; L303-E306 PolarHBondContact O-N 3.24Å; R304-E306 VanDerWaalsContact C-N 3.33Å; E306-E308 PolarHBondContact O-N 3.28Å; E306-Q309 PolarHBondContact O-N 3.47Å; E306-L310 PolarHBondContact O-N 3.06Å |
| 307 | M | 63.6 | Low | 61 | Low | 132 Ų | 132 | 122.5 Ų | 122.5 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.1 | -40.7 | 171.3 | -90.3 | -173.2 | 72.9 | 0 | 0 | 112.5 | L303 R304 L310 V311 | L303-M307 PolarHBondContact O-N 3.44Å; L303-M307 VanDerWaalsContact O-N 3.09Å; R304-M307 PolarHBondContact O-N 2.89Å; M307-L310 PolarHBondContact O-N 2.67Å; M307-V311 VanDerWaalsContact O-CG2 3.28Å; M307-V311 WeakPolarHBondContact O-CG2 3.42Å; M307-V311 PolarHBondContact O-N 3.14Å |
| 308 | E | 63.1 | Low | 60.1 | Low | 108 Ų | 108 | 124.6 Ų | 124.6 | 51% | 0.505 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.4 | -34 | 179.7 | -154.4 | 170.5 | -160.3 | 0 | 0 | 111.7 | R304 K305 E306 V311 L312 | R304-E308 WeakPolarHBondContact O-CB 3.47Å; R304-E308 PolarHBondContact O-N 3.26Å; K305-E308 PolarHBondContact O-N 2.99Å; E306-E308 PolarHBondContact O-N 3.28Å; E308-V311 PolarHBondContact O-N 3.41Å; E308-L312 HydrophobicContact CG-CD1 4.29Å; E308-L312 WeakPolarHBondContact O-CB 3.29Å; E308-L312 WeakPolarHBondContact O-CG 3.43Å; E308-L312 PolarHBondContact O-N 3.39Å |
| 309 | Q | 62.5 | Low | 59.4 | Low | 129 Ų | 129 | 122.2 Ų | 122.2 | 60% | 0.603 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68.5 | -40 | 174.6 | -169.9 | 168.2 | -2.6 | 0 | 0 | 112 | K305 E306 V311 L312 D313 | K305-Q309 VanDerWaalsContact O-CB 3.31Å; K305-Q309 WeakPolarHBondContact O-CB 3.3Å; K305-Q309 PolarHBondContact O-N 3.01Å; E306-Q309 PolarHBondContact O-N 3.47Å; Q309-V311 PolarHBondContact O-N 3.19Å; Q309-L312 PolarHBondContact O-N 3.01Å; Q309-D313 PolarHBondContact O-N 3.11Å |
| 310 | L | 59.5 | Low | 58.4 | Low | 127 Ų | 127 | 120 Ų | 120 | 67% | 0.665 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.8 | -26.3 | 172 | -81.7 | 160.1 | 0 | 0 | 0 | 113.4 | E306 M307 | E306-L310 PolarHBondContact O-N 3.06Å; M307-L310 PolarHBondContact O-N 2.67Å |
| 311 | V | 51.6 | Low | 58 | Low | 104 Ų | 104 | 117.8 Ų | 117.8 | 63% | 0.63 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -85.4 | -27.7 | 177 | 170.9 | 0 | 0 | 0 | 0 | 112 | M307 E308 Q309 | M307-V311 VanDerWaalsContact O-CG2 3.28Å; M307-V311 WeakPolarHBondContact O-CG2 3.42Å; M307-V311 PolarHBondContact O-N 3.14Å; E308-V311 PolarHBondContact O-N 3.41Å; Q309-V311 PolarHBondContact O-N 3.19Å |
| 312 | L | 47.8 | Very low | 57.2 | Low | 110 Ų | 110 | 119.4 Ų | 119.4 | 58% | 0.576 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -86.3 | -24.9 | -177.7 | -76 | 165.7 | 0 | 0 | 0 | 114.3 | E308 Q309 K314 K315 | E308-L312 HydrophobicContact CG-CD1 4.29Å; E308-L312 WeakPolarHBondContact O-CB 3.29Å; E308-L312 WeakPolarHBondContact O-CG 3.43Å; E308-L312 PolarHBondContact O-N 3.39Å; Q309-L312 PolarHBondContact O-N 3.01Å; L312-K314 PolarHBondContact O-N 2.96Å; L312-K314 VanDerWaalsContact O-N 3.17Å; L312-K315 PolarHBondContact O-N 3.27Å |
| 313 | D | 46.2 | Very low | 56.3 | Low | 141 Ų | 141 | 118.8 Ų | 118.8 | 75% | 0.754 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -0.4 | 174.9 | -80.6 | -40.9 | 0 | 0 | 0 | 113.9 | Q309 | Q309-D313 PolarHBondContact O-N 3.11Š|
| 314 | K | 51.9 | Low | 55.5 | Low | 170 Ų | 170 | 121.3 Ų | 121.3 | 74% | 0.739 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 26.5 | 173.8 | -155.8 | 161.3 | 178.4 | 176.2 | 0 | 113 | L312 | L312-K314 PolarHBondContact O-N 2.96Å; L312-K314 VanDerWaalsContact O-N 3.17Å |
| 315 | K | 49.6 | Very low | 54.8 | Low | 161 Ų | 161 | 117.3 Ų | 117.3 | 70% | 0.7 | 62% | 0.622 | S | S | * | * | trans | -117.7 | 46.7 | -180 | -165.6 | 154.9 | 177.7 | 171.8 | 0 | 114 | L312 | L312-K315 PolarHBondContact O-N 3.27Š| ||
| 316 | D | 50.3 | Low | 54.2 | Low | 166 Ų | 166 | 112.7 Ų | 112.7 | 89% | 0.888 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -151.7 | 46.3 | 157.8 | -86.9 | -39.6 | 0 | 0 | 0 | 112 | ||
| 317 | S | 48.8 | Very low | 53.9 | Low | 98 Ų | 98 | 111.7 Ų | 111.7 | 69% | 0.685 | 61% | 0.607 | S | S | * | * | trans | 173.1 | 104 | 151.9 | 54.7 | 0 | 0 | 0 | 0 | 108.4 | P319 | S317-P319 VanDerWaalsContact O-CD 3.24Å; S317-P319 WeakPolarHBondContact O-CD 3.43Å | ||
| 318 | V | 41.8 | Very low | 54.1 | Low | 128 Ų | 128 | 113.5 Ų | 113.5 | 78% | 0.776 | 61% | 0.607 | S | S | * | * | trans | -86.2 | 115.9 | 174.2 | 177.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 319 | P | 45.6 | Very low | 54.6 | Low | 75 Ų | 75 | 113.8 Ų | 113.8 | 49% | 0.487 | 61% | 0.608 | S | S | . | * | trans | -84.4 | 129.5 | 141.3 | 31.5 | -22.9 | 0 | 0 | 0 | 107.2 | S317 | S317-P319 VanDerWaalsContact O-CD 3.24Å; S317-P319 WeakPolarHBondContact O-CD 3.43Å | ||
| 320 | S | 47.4 | Very low | 55.5 | Low | 43 Ų | 43 | 113.8 Ų | 113.8 | 30% | 0.301 | 61% | 0.606 | S | S | . | * | trans | -67.3 | 144.9 | 174.7 | -169.9 | 0 | 0 | 0 | 0 | 108.2 | D322 D323 | S320-D322 PolarHBondContact O-N 3.31Å; S320-D323 WeakPolarHBondContact CB-OD2 3.41Å; S320-D323 PolarHBondContact N-OD2 3.31Å; S320-D323 VanDerWaalsContact N-OD2 3.09Å; S320-D323 WeakPolarHBondContact O-CB 3.41Å; S320-D323 PolarHBondContact O-N 3.5Å | ||
| 321 | P | 54.5 | Low | 56.3 | Low | 109 Ų | 109 | 113.9 Ų | 113.9 | 71% | 0.708 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -58.8 | -14.1 | 170.7 | 22.2 | -31.5 | 0 | 0 | 0 | 113.5 | ||
| 322 | D | 53 | Low | 57.3 | Low | 124 Ų | 124 | 112.3 Ų | 112.3 | 66% | 0.663 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -72.5 | -26.9 | 169.2 | -81.2 | -23.5 | 0 | 0 | 0 | 113.3 | S320 A326 | S320-D322 PolarHBondContact O-N 3.31Å; D322-A326 WeakPolarHBondContact O-CB 3.3Å; D322-A326 PolarHBondContact O-N 3.05Å; D322-A326 VanDerWaalsContact O-N 3.11Å |
| 323 | D | 54.7 | Low | 58.5 | Low | 88 Ų | 88 | 112.4 Ų | 112.4 | 47% | 0.471 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -76.2 | -40.7 | -177.5 | -65.1 | -48.1 | 0 | 0 | 0 | 111.3 | S320 A325 A326 D327 | S320-D323 WeakPolarHBondContact CB-OD2 3.41Å; S320-D323 PolarHBondContact N-OD2 3.31Å; S320-D323 VanDerWaalsContact N-OD2 3.09Å; S320-D323 WeakPolarHBondContact O-CB 3.41Å; S320-D323 PolarHBondContact O-N 3.5Å; D323-A325 VanDerWaalsContact C-N 3.32Å; D323-A325 PolarHBondContact O-N 3.37Å; D323-A326 PolarHBondContact O-N 3.25Å; D323-D327 PolarHBondContact O-N 2.88Å; D323-D327 VanDerWaalsContact O-N 3.12Å |
| 324 | E | 55 | Low | 60 | Low | 142 Ų | 142 | 111.6 Ų | 111.6 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.7 | -30.3 | 175.9 | -73.1 | -177.4 | 170.8 | 0 | 0 | 112.4 | W328 | E324-W328 PolarHBondContact O-N 3.11Å |
| 325 | A | 56.3 | Low | 60.9 | Low | 57 Ų | 57 | 109.6 Ų | 109.6 | 47% | 0.471 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -72 | -38.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D323 D327 W328 E329 | D323-A325 VanDerWaalsContact C-N 3.32Å; D323-A325 PolarHBondContact O-N 3.37Å; A325-D327 VanDerWaalsContact C-N 3.33Å; A325-D327 PolarHBondContact O-N 2.88Å; A325-W328 PolarHBondContact O-N 3.44Å; A325-E329 PolarHBondContact O-N 3.11Å; A325-E329 VanDerWaalsContact O-N 3.1Å |
| 326 | A | 62.7 | Low | 61.8 | Low | 33 Ų | 33 | 107.6 Ų | 107.6 | 27% | 0.273 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.4 | -29.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | D322 D323 K330 | D322-A326 WeakPolarHBondContact O-CB 3.3Å; D322-A326 PolarHBondContact O-N 3.05Å; D322-A326 VanDerWaalsContact O-N 3.11Å; D323-A326 PolarHBondContact O-N 3.25Å; A326-K330 VanDerWaalsContact O-CG 3.3Å; A326-K330 WeakPolarHBondContact O-CG 3.46Å; A326-K330 PolarHBondContact O-N 2.89Å |
| 327 | D | 66.4 | Low | 62.3 | Low | 101 Ų | 101 | 106.1 Ų | 106.1 | 54% | 0.54 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -73.6 | -37.4 | 176.7 | -75.1 | -16.3 | 0 | 0 | 0 | 111.7 | D323 A325 K330 E331 | D323-D327 PolarHBondContact O-N 2.88Å; D323-D327 VanDerWaalsContact O-N 3.12Å; A325-D327 VanDerWaalsContact C-N 3.33Å; A325-D327 PolarHBondContact O-N 2.88Å; D327-K330 PolarHBondContact O-N 3.36Å; D327-E331 PolarHBondContact O-N 2.72Å; D327-E331 VanDerWaalsContact O-N 3.08Å |
| 328 | W | 67.6 | Low | 62.9 | Low | 169 Ų | 169 | 108 Ų | 108 | 64% | 0.64 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -70.2 | -37.7 | 174.8 | -169.4 | 73.2 | 0 | 0 | 0 | 112.9 | E324 A325 K330 E331 L332 | E324-W328 PolarHBondContact O-N 3.11Å; A325-W328 PolarHBondContact O-N 3.44Å; W328-K330 VanDerWaalsContact C-N 3.3Å; W328-K330 PolarHBondContact O-N 3.34Å; W328-E331 PolarHBondContact O-N 3.17Å; W328-L332 HydrophobicContact CH2-CD2 4Å; W328-L332 HydrophobicContact CZ3-CD2 4.02Å; W328-L332 WeakPolarHBondContact O-CB 3.35Å; W328-L332 PolarHBondContact O-N 2.96Å |
| 329 | E | 74.4 | Confident | 63.3 | Low | 114 Ų | 114 | 111.6 Ų | 111.6 | 53% | 0.533 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.6 | -38.2 | 175.7 | -175.7 | 175.4 | -166.1 | 0 | 0 | 111.9 | A325 Q333 | A325-E329 PolarHBondContact O-N 3.11Å; A325-E329 VanDerWaalsContact O-N 3.1Å; E329-Q333 WeakPolarHBondContact O-CB 3.36Å; E329-Q333 PolarHBondContact O-N 3.42Å |
| 330 | K | 80.8 | Confident | 63.6 | Low | 130 Ų | 130 | 114.7 Ų | 114.7 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -69.3 | -40.9 | 175.4 | -73.8 | 171.8 | -171.3 | 162.9 | 0 | 112.4 | A326 D327 W328 L332 Q333 Q334 | A326-K330 VanDerWaalsContact O-CG 3.3Å; A326-K330 WeakPolarHBondContact O-CG 3.46Å; A326-K330 PolarHBondContact O-N 2.89Å; D327-K330 PolarHBondContact O-N 3.36Å; W328-K330 VanDerWaalsContact C-N 3.3Å; W328-K330 PolarHBondContact O-N 3.34Å; K330-L332 VanDerWaalsContact C-N 3.33Å; K330-Q333 PolarHBondContact O-N 3.39Å; K330-Q334 WeakPolarHBondContact O-CB 3.43Å; K330-Q334 PolarHBondContact O-N 3.25Å |
| 331 | E | 75.9 | Confident | 63.7 | Low | 128 Ų | 128 | 118 Ų | 118 | 60% | 0.598 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64 | -40.8 | 178 | -161.2 | 172.2 | -160 | 0 | 0 | 110.8 | D327 W328 Q334 E335 | D327-E331 PolarHBondContact O-N 2.72Å; D327-E331 VanDerWaalsContact O-N 3.08Å; W328-E331 PolarHBondContact O-N 3.17Å; E331-Q334 PolarHBondContact O-N 2.8Å; E331-E335 PolarHBondContact O-N 3.46Å |
| 332 | L | 72.4 | Confident | 63.5 | Low | 71 Ų | 71 | 117.8 Ų | 117.8 | 37% | 0.372 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.5 | -39.8 | 175.9 | -171.2 | 71.9 | 0 | 0 | 0 | 113 | W328 K330 Q334 E335 L336 | W328-L332 HydrophobicContact CH2-CD2 4Å; W328-L332 HydrophobicContact CZ3-CD2 4.02Å; W328-L332 WeakPolarHBondContact O-CB 3.35Å; W328-L332 PolarHBondContact O-N 2.96Å; K330-L332 VanDerWaalsContact C-N 3.33Å; L332-Q334 VanDerWaalsContact C-N 3.31Å; L332-E335 PolarHBondContact O-N 3.27Å; L332-L336 PolarHBondContact O-N 3.42Å; L332-L336 VanDerWaalsContact O-N 3.11Å |
| 333 | Q | 72.7 | Confident | 63.1 | Low | 113 Ų | 113 | 117.1 Ų | 117.1 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.8 | -34.9 | 174.8 | -85.6 | 171.6 | -7.5 | 0 | 0 | 112.2 | E329 K330 Q337 | E329-Q333 WeakPolarHBondContact O-CB 3.36Å; E329-Q333 PolarHBondContact O-N 3.42Å; K330-Q333 PolarHBondContact O-N 3.39Å; Q333-Q337 PolarHBondContact O-N 3.45Å; Q333-Q337 VanDerWaalsContact O-N 3.1Å |
| 334 | Q | 77.5 | Confident | 62.8 | Low | 124 Ų | 124 | 121.9 Ų | 121.9 | 58% | 0.579 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67 | -42.5 | 174.9 | -176.1 | 171.6 | -3.6 | 0 | 0 | 111.3 | K330 E331 L332 L336 Q337 E338 | K330-Q334 WeakPolarHBondContact O-CB 3.43Å; K330-Q334 PolarHBondContact O-N 3.25Å; E331-Q334 PolarHBondContact O-N 2.8Å; L332-Q334 VanDerWaalsContact C-N 3.31Å; Q334-L336 VanDerWaalsContact C-N 3.33Å; Q334-L336 PolarHBondContact O-N 3.14Å; Q334-Q337 PolarHBondContact O-N 3.2Å; Q334-E338 WeakPolarHBondContact O-CB 3.44Å; Q334-E338 PolarHBondContact O-N 2.92Å |
| 335 | E | 72.7 | Confident | 62.7 | Low | 128 Ų | 128 | 117.9 Ų | 117.9 | 60% | 0.598 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.2 | -36.6 | 177.7 | -162.9 | 174.8 | -164.3 | 0 | 0 | 112.1 | E331 L332 E338 Y339 | E331-E335 PolarHBondContact O-N 3.46Å; L332-E335 PolarHBondContact O-N 3.27Å; E335-E338 PolarHBondContact O-N 3.02Å; E335-Y339 PolarHBondContact O-N 3.42Å; E335-Y339 VanDerWaalsContact O-N 3.11Å |
| 336 | L | 67.8 | Low | 62.7 | Low | 119 Ų | 119 | 121.2 Ų | 121.2 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.3 | -42 | 172.3 | -98.9 | 156.3 | 0 | 0 | 0 | 112.9 | L332 Q334 E338 Y339 E340 | L332-L336 PolarHBondContact O-N 3.42Å; L332-L336 VanDerWaalsContact O-N 3.11Å; Q334-L336 VanDerWaalsContact C-N 3.33Å; Q334-L336 PolarHBondContact O-N 3.14Å; L336-E338 VanDerWaalsContact C-N 3.31Å; L336-Y339 PolarHBondContact O-N 2.92Å; L336-E340 PolarHBondContact O-N 2.9Å; L336-E340 VanDerWaalsContact O-N 3.17Å |
| 337 | Q | 60.3 | Low | 62.4 | Low | 135 Ų | 135 | 125.5 Ų | 125.5 | 63% | 0.631 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.2 | -34.2 | 173.8 | -101.3 | 176.5 | -9.3 | 0 | 0 | 112.2 | Q333 Q334 Y339 E340 V341 | Q333-Q337 PolarHBondContact O-N 3.45Å; Q333-Q337 VanDerWaalsContact O-N 3.1Å; Q334-Q337 PolarHBondContact O-N 3.2Å; Q337-Y339 VanDerWaalsContact C-N 3.26Å; Q337-Y339 PolarHBondContact O-N 3.05Å; Q337-E340 PolarHBondContact O-N 3.45Å; Q337-V341 WeakPolarHBondContact O-CG2 3.49Å; Q337-V341 PolarHBondContact O-N 2.95Å |
| 338 | E | 61 | Low | 62.1 | Low | 137 Ų | 137 | 127 Ų | 127 | 64% | 0.64 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.8 | -28 | 175.9 | -138.7 | 168.3 | -158.1 | 0 | 0 | 111.8 | Q334 E335 L336 | Q334-E338 WeakPolarHBondContact O-CB 3.44Å; Q334-E338 PolarHBondContact O-N 2.92Å; E335-E338 PolarHBondContact O-N 3.02Å; L336-E338 VanDerWaalsContact C-N 3.31Å |
| 339 | Y | 51.6 | Low | 61.8 | Low | 203 Ų | 203 | 124.4 Ų | 124.4 | 80% | 0.796 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -79.9 | -27.5 | 174 | -139.7 | -96.1 | 0 | 0 | 0 | 113.6 | E335 L336 Q337 | E335-Y339 PolarHBondContact O-N 3.42Å; E335-Y339 VanDerWaalsContact O-N 3.11Å; L336-Y339 PolarHBondContact O-N 2.92Å; Q337-Y339 VanDerWaalsContact C-N 3.26Å; Q337-Y339 PolarHBondContact O-N 3.05Å |
| 340 | E | 50.2 | Low | 61.4 | Low | 140 Ų | 140 | 123.4 Ų | 123.4 | 65% | 0.654 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -76.7 | -22.2 | 176.2 | -170.1 | 173.4 | -169.1 | 0 | 0 | 113.1 | L336 Q337 V342 T343 | L336-E340 PolarHBondContact O-N 2.9Å; L336-E340 VanDerWaalsContact O-N 3.17Å; Q337-E340 PolarHBondContact O-N 3.45Å; E340-V342 VanDerWaalsContact C-N 3.28Å; E340-V342 PolarHBondContact O-N 3.23Å; E340-T343 PolarHBondContact O-OG1 3.37Å |
| 341 | V | 51.4 | Low | 60.9 | Low | 113 Ų | 113 | 123.4 Ų | 123.4 | 69% | 0.685 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -5 | 178.2 | 172.7 | 0 | 0 | 0 | 0 | 113.4 | Q337 T343 | Q337-V341 WeakPolarHBondContact O-CG2 3.49Å; Q337-V341 PolarHBondContact O-N 2.95Å; V341-T343 PolarHBondContact O-N 3.09Å |
| 342 | V | 48.5 | Very low | 60.6 | Low | 105 Ų | 105 | 125.8 Ų | 125.8 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 28.7 | 169.6 | -165.6 | 0 | 0 | 0 | 0 | 111.8 | E340 E344 | E340-V342 VanDerWaalsContact C-N 3.28Å; E340-V342 PolarHBondContact O-N 3.23Å; V342-E344 VanDerWaalsContact C-N 3.33Å |
| 343 | T | 44.5 | Very low | 60.6 | Low | 110 Ų | 110 | 127.2 Ų | 127.2 | 68% | 0.675 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 13.2 | 170.2 | 46.2 | 0 | 0 | 0 | 0 | 113.4 | E340 V341 | E340-T343 PolarHBondContact O-OG1 3.37Å; V341-T343 PolarHBondContact O-N 3.09Å |
| 344 | E | 49.9 | Very low | 61 | Low | 187 Ų | 187 | 128.4 Ų | 128.4 | 87% | 0.874 | 63% | 0.633 | S | S | * | * | trans | -118.6 | 62.6 | 169.1 | -69.8 | -172.2 | 171.6 | 0 | 0 | 111.7 | V342 | V342-E344 VanDerWaalsContact C-N 3.33Š| ||
| 345 | S | 52.7 | Low | 61 | Low | 59 Ų | 59 | 127.6 Ų | 127.6 | 41% | 0.413 | 63% | 0.629 | S | S | . | * | trans | -146.7 | 51.7 | 156.7 | 66.6 | 0 | 0 | 0 | 0 | 113.3 | N347 K348 | S345-N347 PolarHBondContact O-N 3.35Å; S345-K348 PolarHBondContact O-N 3.41Å; S345-K348 VanDerWaalsContact O-N 3.15Å | ||
| 346 | D | 54.9 | Low | 61.1 | Low | 127 Ų | 127 | 125.3 Ų | 125.3 | 68% | 0.679 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -52.3 | -14.5 | 166.4 | -75.3 | -41.4 | 0 | 0 | 0 | 113.4 | ||
| 347 | N | 58.1 | Low | 61.7 | Low | 122 Ų | 122 | 125.4 Ų | 125.4 | 65% | 0.652 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -83.7 | -11.4 | -179.9 | -74.2 | -71 | 0 | 0 | 0 | 115.2 | S345 | S345-N347 PolarHBondContact O-N 3.35Å |
| 348 | K | 58.8 | Low | 62.8 | Low | 133 Ų | 133 | 125.1 Ų | 125.1 | 58% | 0.578 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -91.7 | -36.6 | -175.9 | -143.2 | 167.8 | -175 | 170.5 | 0 | 111.8 | S345 Q351 W352 | S345-K348 PolarHBondContact O-N 3.41Å; S345-K348 VanDerWaalsContact O-N 3.15Å; K348-Q351 PolarHBondContact O-N 3.09Å; K348-W352 PolarHBondContact O-N 3.08Å |
| 349 | D | 62.4 | Low | 63.2 | Low | 114 Ų | 114 | 123.6 Ų | 123.6 | 61% | 0.61 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.7 | -40.9 | 177.1 | -68.4 | -13.6 | 0 | 0 | 0 | 111.2 | Q351 W352 D353 | D349-Q351 PolarHBondContact O-N 3.24Å; D349-Q351 VanDerWaalsContact O-N 3.17Å; D349-W352 PolarHBondContact O-N 2.85Å; D349-D353 PolarHBondContact O-N 3.5Å |
| 350 | D | 65.2 | Low | 64.2 | Low | 93 Ų | 93 | 118.9 Ų | 118.9 | 50% | 0.497 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -59.8 | -29.7 | 175.5 | -76.3 | -20 | 0 | 0 | 0 | 114.1 | Q354 | D350-Q354 WeakPolarHBondContact O-CB 3.47Å; D350-Q354 VanDerWaalsContact O-CG 3.25Å; D350-Q354 WeakPolarHBondContact O-CG 3.37Å; D350-Q354 PolarHBondContact O-N 3.38Å; D350-Q354 PolarHBondContact O-NE2 3.32Å |
| 351 | Q | 71.1 | Confident | 65.3 | Low | 131 Ų | 131 | 118.5 Ų | 118.5 | 61% | 0.612 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -77.7 | -33.2 | 177.4 | -93.2 | 164.9 | 41.7 | 0 | 0 | 112.3 | K348 D349 E355 | K348-Q351 PolarHBondContact O-N 3.09Å; D349-Q351 PolarHBondContact O-N 3.24Å; D349-Q351 VanDerWaalsContact O-N 3.17Å; Q351-E355 PolarHBondContact O-N 3.16Å |
| 352 | W | 69.4 | Low | 66 | Low | 177 Ų | 177 | 117.2 Ų | 117.2 | 67% | 0.67 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -74.5 | -39.8 | 176.6 | -81.9 | 69.1 | 0 | 0 | 0 | 111.1 | K348 D349 Q354 E355 I356 | K348-W352 PolarHBondContact O-N 3.08Å; D349-W352 PolarHBondContact O-N 2.85Å; W352-Q354 PolarHBondContact O-N 3.38Å; W352-E355 PolarHBondContact O-N 3.07Å; W352-I356 WeakPolarHBondContact O-CG1 3.37Å; W352-I356 PolarHBondContact O-N 3.35Å; W352-I356 VanDerWaalsContact O-N 3.09Å |
| 353 | D | 71.9 | Confident | 66.4 | Low | 102 Ų | 102 | 120 Ų | 120 | 55% | 0.545 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.7 | -39.1 | 176.9 | -72.2 | -17.7 | 0 | 0 | 0 | 112 | D349 E355 I356 E357 | D349-D353 PolarHBondContact O-N 3.5Å; D353-E355 PolarHBondContact O-N 3.06Å; D353-I356 PolarHBondContact O-N 3.07Å; D353-E357 PolarHBondContact O-N 3.14Å |
| 354 | Q | 80.1 | Confident | 67 | Low | 138 Ų | 138 | 122.2 Ų | 122.2 | 65% | 0.645 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.1 | -35.2 | 174.9 | -77.7 | 173 | 59.8 | 0 | 0 | 113.5 | D350 W352 K358 | D350-Q354 WeakPolarHBondContact O-CB 3.47Å; D350-Q354 VanDerWaalsContact O-CG 3.25Å; D350-Q354 WeakPolarHBondContact O-CG 3.37Å; D350-Q354 PolarHBondContact O-N 3.38Å; D350-Q354 PolarHBondContact O-NE2 3.32Å; W352-Q354 PolarHBondContact O-N 3.38Å; Q354-K358 WeakPolarHBondContact O-CB 3.45Å; Q354-K358 PolarHBondContact O-N 3.03Å; Q354-K358 VanDerWaalsContact O-N 3.13Å |
| 355 | E | 78.3 | Confident | 66.9 | Low | 106 Ų | 106 | 121.3 Ų | 121.3 | 50% | 0.495 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -70.9 | -36.5 | 177 | -168 | 68.8 | -147.5 | 0 | 0 | 111.2 | Q351 W352 D353 K358 M359 | Q351-E355 PolarHBondContact O-N 3.16Å; W352-E355 PolarHBondContact O-N 3.07Å; D353-E355 PolarHBondContact O-N 3.06Å; E355-K358 PolarHBondContact O-N 3.1Å; E355-M359 PolarHBondContact O-N 3.37Å; E355-M359 VanDerWaalsContact O-N 3.12Å |
| 356 | I | 75.5 | Confident | 67.6 | Low | 81 Ų | 81 | 124.5 Ų | 124.5 | 42% | 0.415 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.3 | -45 | 176.3 | -67.3 | 170.9 | 0 | 0 | 0 | 111.1 | W352 D353 K358 M359 L360 | W352-I356 WeakPolarHBondContact O-CG1 3.37Å; W352-I356 PolarHBondContact O-N 3.35Å; W352-I356 VanDerWaalsContact O-N 3.09Å; D353-I356 PolarHBondContact O-N 3.07Å; I356-K358 VanDerWaalsContact C-N 3.29Å; I356-K358 PolarHBondContact O-N 3.25Å; I356-M359 PolarHBondContact O-N 3.46Å; I356-L360 HydrophobicContact CG2-CD1 4.07Å; I356-L360 PolarHBondContact O-N 3.42Å; I356-L360 VanDerWaalsContact O-N 3.07Å |
| 357 | E | 80.8 | Confident | 68.3 | Low | 121 Ų | 121 | 124.3 Ų | 124.3 | 57% | 0.565 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.4 | -36.9 | 177.6 | -173.8 | 121.6 | -137.5 | 0 | 0 | 111.8 | D353 L360 Q361 | D353-E357 PolarHBondContact O-N 3.14Å; E357-L360 PolarHBondContact O-N 3.03Å; E357-Q361 WeakPolarHBondContact O-CG 3.47Å; E357-Q361 PolarHBondContact O-N 3.34Å |
| 358 | K | 82.1 | Confident | 68.8 | Low | 129 Ų | 129 | 124.4 Ų | 124.4 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.3 | -40.2 | 174.6 | -178.1 | -175.7 | 170 | -164 | 0 | 112.5 | Q354 E355 I356 S362 | Q354-K358 WeakPolarHBondContact O-CB 3.45Å; Q354-K358 PolarHBondContact O-N 3.03Å; Q354-K358 VanDerWaalsContact O-N 3.13Å; E355-K358 PolarHBondContact O-N 3.1Å; I356-K358 VanDerWaalsContact C-N 3.29Å; I356-K358 PolarHBondContact O-N 3.25Å; K358-S362 PolarHBondContact O-N 3.49Å; K358-S362 PolarHBondContact O-OG 3.38Å; K358-S362 VanDerWaalsContact O-OG 3.06Å |
| 359 | M | 70.8 | Confident | 69.4 | Low | 105 Ų | 105 | 123.9 Ų | 123.9 | 52% | 0.517 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -64.2 | -44.8 | 175.5 | -74.9 | -165.4 | -54.4 | 0 | 0 | 111.6 | E355 I356 Q361 S362 E363 | E355-M359 PolarHBondContact O-N 3.37Å; E355-M359 VanDerWaalsContact O-N 3.12Å; I356-M359 PolarHBondContact O-N 3.46Å; M359-Q361 VanDerWaalsContact C-N 3.35Å; M359-Q361 PolarHBondContact O-N 3.4Å; M359-S362 WeakPolarHBondContact CA-OG 3.37Å; M359-S362 PolarHBondContact O-N 3.34Å; M359-S362 PolarHBondContact O-OG 3.47Å; M359-E363 PolarHBondContact O-N 3.15Å |
| 360 | L | 72.2 | Confident | 69.9 | Low | 103 Ų | 103 | 124.6 Ų | 124.6 | 54% | 0.539 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -60 | -42.1 | 177.2 | -84.6 | 155.5 | 0 | 0 | 0 | 112.4 | I356 E357 S362 E363 | I356-L360 HydrophobicContact CG2-CD1 4.07Å; I356-L360 PolarHBondContact O-N 3.42Å; I356-L360 VanDerWaalsContact O-N 3.07Å; E357-L360 PolarHBondContact O-N 3.03Å; L360-S362 VanDerWaalsContact C-N 3.3Å; L360-S362 PolarHBondContact O-N 2.98Å; L360-E363 PolarHBondContact O-N 3.3Å |
| 361 | Q | 72.5 | Confident | 70.2 | Confident | 133 Ų | 133 | 126.7 Ų | 126.7 | 62% | 0.621 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -71 | -24.6 | 178.6 | -70.1 | 176 | 14.8 | 0 | 0 | 113.5 | E357 M359 | E357-Q361 WeakPolarHBondContact O-CG 3.47Å; E357-Q361 PolarHBondContact O-N 3.34Å; M359-Q361 VanDerWaalsContact C-N 3.35Å; M359-Q361 PolarHBondContact O-N 3.4Å |
| 362 | S | 65.7 | Low | 70.1 | Confident | 85 Ų | 85 | 126.4 Ų | 126.4 | 59% | 0.594 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -81.7 | -11.6 | 176.4 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | K358 M359 L360 | K358-S362 PolarHBondContact O-N 3.49Å; K358-S362 PolarHBondContact O-OG 3.38Å; K358-S362 VanDerWaalsContact O-OG 3.06Å; M359-S362 WeakPolarHBondContact CA-OG 3.37Å; M359-S362 PolarHBondContact O-N 3.34Å; M359-S362 PolarHBondContact O-OG 3.47Å; L360-S362 VanDerWaalsContact C-N 3.3Å; L360-S362 PolarHBondContact O-N 2.98Å |
| 363 | E | 57 | Low | 70.2 | Confident | 165 Ų | 165 | 122.5 Ų | 122.5 | 77% | 0.771 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -93.1 | -12.1 | 176.4 | -76 | -172.7 | 115.7 | 0 | 0 | 113.9 | M359 L360 | M359-E363 PolarHBondContact O-N 3.15Å; L360-E363 PolarHBondContact O-N 3.3Å |
| 364 | D | 57.9 | Low | 70 | Confident | 155 Ų | 155 | 124.2 Ų | 124.2 | 83% | 0.829 | 65% | 0.645 | S | S | * | * | trans | -103.8 | 15 | -179.2 | -96.4 | -41.5 | 0 | 0 | 0 | 114.3 | ||||
| 365 | S | 47.6 | Very low | 69.1 | Low | 169 Ų | 169 | 122.9 Ų | 122.9 | 100% | 1.182 | 65% | 0.645 | S | S | * | * | trans | -121.9 | 0 | 177.9 | -163.7 | 0 | 0 | 0 | 0 | 115.9 |
Retrieved 365 of 365 residues in 215 ms
(Link to these results)