| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.1 | Very low | 37.3 | Very low | 233 Ų | 233 | 167 Ų | 167 | 100% | 1.148 | 88% | 0.875 | S | S | * | * | 0 | 126.5 | 0 | -67.9 | 148.7 | 68.6 | 0 | 0 | 105.5 | |||||
| 2 | W | 33.5 | Very low | 37.8 | Very low | 246 Ų | 246 | 166.2 Ų | 166.2 | 93% | 0.932 | 87% | 0.869 | S | S | * | * | cis | -124 | 160.4 | 48.6 | -72.6 | 69.7 | 0 | 0 | 0 | 114.6 | ||||
| 3 | R | 34.8 | Very low | 37.8 | Very low | 234 Ų | 234 | 162 Ų | 162 | 88% | 0.883 | 86% | 0.858 | S | S | * | * | trans | -106.1 | 136.5 | 168.4 | -67.4 | 179.9 | 174.8 | -172.5 | -1 | 108.7 | ||||
| 4 | L | 35.4 | Very low | 37.8 | Very low | 170 Ų | 170 | 168.7 Ų | 168.7 | 89% | 0.89 | 87% | 0.866 | S | S | * | * | trans | -142 | 88.6 | 165.2 | -92.2 | 171.7 | 0 | 0 | 0 | 111.1 | ||||
| 5 | P | 40.1 | Very low | 37.5 | Very low | 123 Ų | 123 | 165 Ų | 165 | 80% | 0.799 | 86% | 0.861 | S | S | * | * | trans | -84.1 | 130.7 | 161.9 | 33.1 | -28.4 | 0 | 0 | 0 | 109.6 | ||||
| 6 | G | 39.8 | Very low | 37.4 | Very low | 67 Ų | 67 | 165.6 Ų | 165.6 | 69% | 0.691 | 86% | 0.864 | S | S | * | * | trans | 163.3 | -0.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 7 | L | 36.1 | Very low | 36.9 | Very low | 180 Ų | 180 | 160 Ų | 160 | 94% | 0.942 | 86% | 0.856 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | 25.3 | -171.2 | -97 | 168 | 0 | 0 | 0 | 116.5 | ||
| 8 | L | 36.5 | Very low | 37 | Very low | 176 Ų | 176 | 158.7 Ų | 158.7 | 92% | 0.921 | 86% | 0.858 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.5 | 8.9 | 171.3 | -108.6 | 116.1 | 0 | 0 | 0 | 114.7 | ||
| 9 | G | 38.3 | Very low | 36.6 | Very low | 68 Ų | 68 | 156.3 Ų | 156.3 | 70% | 0.701 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -106.1 | 6.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 10 | R | 41.3 | Very low | 36.3 | Very low | 243 Ų | 243 | 157.1 Ų | 157.1 | 92% | 0.917 | 86% | 0.856 | S | S | * | * | S | Bend | trans | -139.8 | 27.6 | -169.7 | -69.4 | -168.3 | 175.7 | -173.1 | -0.6 | 115.8 | ||
| 11 | A | 35.8 | Very low | 35.9 | Very low | 97 Ų | 97 | 160 Ų | 160 | 80% | 0.802 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -115.7 | 8.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 12 | I | 42.5 | Very low | 35.2 | Very low | 157 Ų | 157 | 158.2 Ų | 158.2 | 81% | 0.805 | 84% | 0.836 | S | S | * | * | trans | -140.1 | 84.9 | 174 | -50.2 | 175.6 | 0 | 0 | 0 | 106.8 | ||||
| 13 | P | 38.8 | Very low | 34.9 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | -155.1 | 99 | 99.3 | 35.7 | -14.2 | 0 | 0 | 0 | 114.2 | |||||
| 14 | R | 36.8 | Very low | 34.8 | Very low | 256 Ų | 256 | 147.9 Ų | 147.9 | 97% | 0.966 | 83% | 0.826 | S | S | * | * | trans | -143.5 | 22 | 168.8 | -79 | -160.5 | 173.8 | 175 | -1.9 | 115.1 | ||||
| 15 | S | 34.3 | Very low | 34.7 | Very low | 113 Ų | 113 | 145.5 Ų | 145.5 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -121.5 | 37.1 | -177.4 | 64 | 0 | 0 | 0 | 0 | 113.8 | ||
| 16 | L | 35.8 | Very low | 34.1 | Very low | 175 Ų | 175 | 148.8 Ų | 148.8 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -144 | 95.9 | 165.7 | -89.3 | 171.5 | 0 | 0 | 0 | 108 | ||||
| 17 | G | 28.6 | Very low | 33.5 | Very low | 70 Ų | 70 | 150.3 Ų | 150.3 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | -82.6 | 152.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 18 | P | 38.6 | Very low | 33 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 88% | 0.883 | 82% | 0.82 | S | S | * | * | trans | -96.1 | 113 | -170.7 | 34.9 | -31.2 | 0 | 0 | 0 | 112.9 | ||||
| 19 | S | 30.2 | Very low | 32.6 | Very low | 113 Ų | 113 | 145.4 Ų | 145.4 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -153.7 | 153 | 157 | 58 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 20 | L | 29.2 | Very low | 33.1 | Very low | 172 Ų | 172 | 147.1 Ų | 147.1 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | 104.5 | 71.6 | -178.9 | -61 | 169.3 | 0 | 0 | 0 | 115.6 | ||||
| 21 | W | 28.7 | Very low | 32.5 | Very low | 218 Ų | 218 | 143 Ų | 143 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -79.2 | 133.8 | 148.5 | -104.1 | 48 | 0 | 0 | 0 | 110.1 | ||||
| 22 | R | 24.4 | Very low | 32.3 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | 60.8 | 120.3 | 144.2 | -170.4 | -175.5 | -65 | -162.9 | -5.4 | 118.4 | ||||
| 23 | V | 25.9 | Very low | 32.4 | Very low | 129 Ų | 129 | 139.5 Ų | 139.5 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | -178.5 | 131.7 | 123 | 148.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 24 | T | 33.9 | Very low | 32.1 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -104.6 | 151.3 | 160.6 | 49.3 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 25 | P | 33.3 | Very low | 31.7 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | -150.4 | 168.5 | 102.7 | 37.9 | -20.4 | 0 | 0 | 0 | 116.9 | |||||
| 26 | K | 27 | Very low | 31.4 | Very low | 193 Ų | 193 | 135 Ų | 135 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -66 | 172.1 | 158.1 | -95.6 | -179.5 | 171.6 | 179.1 | 0 | 110.9 | ||||
| 27 | S | 26.5 | Very low | 31 | Very low | 99 Ų | 99 | 131.8 Ų | 131.8 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | cis | -179.4 | 151.3 | -7.7 | 46.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 28 | T | 27 | Very low | 30.9 | Very low | 147 Ų | 147 | 133 Ų | 133 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -153.2 | 136.8 | 152.4 | -21 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 29 | S | 28.2 | Very low | 30.5 | Very low | 105 Ų | 105 | 132 Ų | 132 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -131.4 | 170.8 | 160.8 | 70 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 30 | P | 47.3 | Very low | 30.3 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 68% | 0.682 | 76% | 0.76 | S | S | * | * | -137 | -174.1 | 66.6 | 37.1 | -15.6 | 0 | 0 | 0 | 111.6 | |||||
| 31 | D | 29.5 | Very low | 30.2 | Very low | 157 Ų | 157 | 132 Ų | 132 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | cis | -135.4 | 168.9 | 29.1 | -72.7 | -55.5 | 0 | 0 | 0 | 113.9 | ||||
| 32 | G | 31.4 | Very low | 30.2 | Very low | 69 Ų | 69 | 127.5 Ų | 127.5 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | -125.2 | -139.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 33 | P | 44.8 | Very low | 31.4 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | cis | -144.7 | -170.9 | -6.5 | 32.7 | -8.2 | 0 | 0 | 0 | 115.8 | ||||
| 34 | Q | 33.5 | Very low | 31.5 | Very low | 162 Ų | 162 | 123.9 Ų | 123.9 | 76% | 0.757 | 75% | 0.752 | S | S | * | * | trans | 75.8 | 143.7 | 161.8 | -47.6 | -55.3 | -13.6 | 0 | 0 | 117.7 | ||||
| 35 | T | 27.4 | Very low | 32.1 | Very low | 119 Ų | 119 | 122.5 Ų | 122.5 | 73% | 0.73 | 75% | 0.745 | S | S | * | * | cis | -138.9 | 168.2 | 3.3 | 41.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 36 | T | 27.8 | Very low | 31.8 | Very low | 105 Ų | 105 | 124.4 Ų | 124.4 | 64% | 0.644 | 75% | 0.748 | S | S | * | * | cis | -166.1 | 148.2 | -19 | 28.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 37 | S | 28.2 | Very low | 31.9 | Very low | 109 Ų | 109 | 121.9 Ų | 121.9 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | 65 | 143.1 | 147.7 | -58.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 38 | S | 26.9 | Very low | 31.9 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | cis | -163.7 | 127.9 | -4.9 | -103.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 39 | T | 28.5 | Very low | 32 | Very low | 113 Ų | 113 | 127.3 Ų | 127.3 | 69% | 0.693 | 74% | 0.742 | S | S | * | * | 86.1 | 94.7 | 99.7 | -56.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 40 | L | 26.8 | Very low | 32 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | 81.5 | 148.3 | 104.3 | -74.2 | -171.4 | 0 | 0 | 0 | 114.5 | |||||
| 41 | L | 27.4 | Very low | 31.1 | Very low | 142 Ų | 142 | 126.4 Ų | 126.4 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | cis | -149.3 | 141.4 | 12 | -101.1 | 133.3 | 0 | 0 | 0 | 112.5 | ||||
| 42 | V | 28.1 | Very low | 31.6 | Very low | 124 Ų | 124 | 124.2 Ų | 124.2 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | 30.2 | 144.5 | 127.4 | 179.7 | 0 | 0 | 0 | 0 | 122 | |||||
| 43 | P | 49.3 | Very low | 31.5 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | trans | -111.2 | 178.8 | -166.5 | 43.8 | -34 | 0 | 0 | 0 | 115.6 | ||||
| 44 | V | 28.6 | Very low | 30.7 | Very low | 136 Ų | 136 | 127.7 Ų | 127.7 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | -151 | 144.1 | 157.4 | 149.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 45 | P | 47.4 | Very low | 30.9 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | -101.4 | 160 | 173.7 | 38.5 | -33.5 | 0 | 0 | 0 | 113.6 | ||||
| 46 | N | 25.6 | Very low | 30.9 | Very low | 160 Ų | 160 | 123.9 Ų | 123.9 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | trans | -171.7 | 169.8 | 142.2 | -105.1 | -27.6 | 0 | 0 | 0 | 117.3 | ||||
| 47 | L | 28.9 | Very low | 31 | Very low | 140 Ų | 140 | 126 Ų | 126 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -48.4 | 172.7 | -171.9 | -102.9 | 63.7 | 0 | 0 | 0 | 122.8 | ||||
| 48 | D | 27.2 | Very low | 31 | Very low | 137 Ų | 137 | 127 Ų | 127 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | 80.1 | 154 | 152.4 | -73.3 | -15.9 | 0 | 0 | 0 | 120.7 | ||||
| 49 | R | 28.6 | Very low | 31.1 | Very low | 222 Ų | 222 | 126.6 Ų | 126.6 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | cis | 179.4 | 118.6 | -28 | 175.6 | -177.5 | -172.4 | -159.1 | 4.4 | 109.4 | ||||
| 50 | S | 29.2 | Very low | 31 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -178.1 | 142.4 | 156 | 42.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 51 | G | 27.8 | Very low | 31.5 | Very low | 68 Ų | 68 | 123.8 Ų | 123.8 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | -101.2 | -164.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 52 | P | 40.8 | Very low | 31.8 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | cis | -148.1 | -178 | 41.3 | 39.5 | -17.8 | 0 | 0 | 0 | 118.3 | ||||
| 53 | H | 29.5 | Very low | 32.2 | Very low | 182 Ų | 182 | 128.2 Ų | 128.2 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | 73.5 | 119.4 | 158.8 | -61.5 | -53.5 | 0 | 0 | 0 | 122.4 | ||||
| 54 | G | 27.5 | Very low | 31.8 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | -87 | -166.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 55 | P | 37.7 | Very low | 31.9 | Very low | 139 Ų | 139 | 125 Ų | 125 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | cis | -123.9 | -174.4 | 41.9 | 40.9 | -28 | 0 | 0 | 0 | 112.8 | ||||
| 56 | G | 27.7 | Very low | 31.1 | Very low | 62 Ų | 62 | 130.9 Ų | 130.9 | 64% | 0.639 | 79% | 0.787 | S | S | * | * | cis | 168.8 | 124 | -7.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 57 | T | 29.7 | Very low | 31.5 | Very low | 148 Ų | 148 | 130.2 Ų | 130.2 | 91% | 0.908 | 78% | 0.777 | S | S | * | * | trans | 48.1 | 113.7 | 162.2 | 47 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 58 | S | 28.6 | Very low | 31.8 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | -154.2 | 151.2 | 110.6 | 65.1 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 59 | G | 28 | Very low | 32 | Very low | 87 Ų | 87 | 123.8 Ų | 123.8 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | trans | -112.2 | 148.9 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 60 | G | 27.7 | Very low | 32.2 | Very low | 72 Ų | 72 | 120.2 Ų | 120.2 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | -158.9 | 142.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 61 | P | 35.5 | Very low | 32.4 | Very low | 126 Ų | 126 | 121 Ų | 121 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | trans | -83.1 | 142.6 | -155.7 | 30.9 | -36.1 | 0 | 0 | 0 | 115.6 | S63 | P61-S63 PolarHBondContact O-N 3.5Š| ||
| 62 | R | 35.4 | Very low | 32.4 | Very low | 255 Ų | 255 | 125.4 Ų | 125.4 | 96% | 0.962 | 73% | 0.726 | S | S | * | * | trans | -65.9 | 107.9 | 169.6 | -73.9 | 178.9 | 172 | 177.1 | -3.4 | 111.2 | ||||
| 63 | S | 36.6 | Very low | 32 | Very low | 104 Ų | 104 | 124.4 Ų | 124.4 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | -109.1 | 35.8 | 177.3 | 58 | 0 | 0 | 0 | 0 | 114.2 | P61 | P61-S63 PolarHBondContact O-N 3.5Š| ||
| 64 | H | 39.1 | Very low | 32.3 | Very low | 131 Ų | 131 | 119.8 Ų | 119.8 | 61% | 0.606 | 70% | 0.702 | S | S | * | * | trans | -109.4 | -24.9 | 179.8 | -91.4 | -86.1 | 0 | 0 | 0 | 116.1 | W66 K67 | H64-W66 PolarHBondContact O-N 3.34Å; H64-K67 PolarHBondContact O-N 3.15Å | ||
| 65 | G | 31.2 | Very low | 32.7 | Very low | 52 Ų | 52 | 120.5 Ų | 120.5 | 54% | 0.536 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -65.8 | -15.1 | -173 | 0 | 0 | 0 | 0 | 0 | 116.6 | A69 | G65-A69 VanDerWaalsContact O-CB 3.32Å; G65-A69 WeakPolarHBondContact O-CB 3.45Å; G65-A69 PolarHBondContact O-N 3.23Å |
| 66 | W | 30.9 | Very low | 32.5 | Very low | 228 Ų | 228 | 122.5 Ų | 122.5 | 86% | 0.864 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -87.7 | -27.3 | -176.1 | -76.9 | 30.2 | 0 | 0 | 0 | 113.8 | H64 F70 | H64-W66 PolarHBondContact O-N 3.34Å; W66-F70 PolarHBondContact O-N 3.13Å; W66-F70 VanDerWaalsContact O-N 3.1Å |
| 67 | K | 33.4 | Very low | 32.9 | Very low | 146 Ų | 146 | 123 Ų | 123 | 64% | 0.635 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -69.9 | -43.2 | 174.7 | -75 | -178.2 | 176.3 | 177.5 | 0 | 110.5 | H64 F70 Q71 | H64-K67 PolarHBondContact O-N 3.15Å; K67-F70 PolarHBondContact O-N 3.35Å; K67-Q71 PolarHBondContact O-N 3.12Å |
| 68 | D | 35.4 | Very low | 33.5 | Very low | 97 Ų | 97 | 118.7 Ų | 118.7 | 52% | 0.519 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -68.8 | -40.1 | 179.7 | -51.4 | -16.6 | 0 | 0 | 0 | 110.7 | F70 Q71 W72 | D68-F70 PolarHBondContact O-N 3.2Å; D68-Q71 PolarHBondContact O-N 3.48Å; D68-W72 VanDerWaalsContact O-CB 3.26Å; D68-W72 WeakPolarHBondContact O-CB 3.2Å; D68-W72 PolarHBondContact O-N 2.99Å |
| 69 | A | 31.8 | Very low | 34.2 | Very low | 45 Ų | 45 | 116.5 Ų | 116.5 | 37% | 0.372 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -60.7 | -41.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G65 W72 I73 | G65-A69 VanDerWaalsContact O-CB 3.32Å; G65-A69 WeakPolarHBondContact O-CB 3.45Å; G65-A69 PolarHBondContact O-N 3.23Å; A69-W72 PolarHBondContact O-N 2.98Å; A69-I73 WeakPolarHBondContact O-CD1 3.4Å; A69-I73 VanDerWaalsContact O-CG1 3.24Å; A69-I73 WeakPolarHBondContact O-CG1 3.5Å; A69-I73 PolarHBondContact O-N 3.44Å |
| 70 | F | 32.8 | Very low | 35.4 | Very low | 146 Ų | 146 | 117.6 Ų | 117.6 | 64% | 0.64 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.9 | -43 | 176.7 | -116.1 | -88.5 | 0 | 0 | 0 | 112.5 | W66 K67 D68 W72 I73 S74 | W66-F70 PolarHBondContact O-N 3.13Å; W66-F70 VanDerWaalsContact O-N 3.1Å; K67-F70 PolarHBondContact O-N 3.35Å; D68-F70 PolarHBondContact O-N 3.2Å; F70-W72 VanDerWaalsContact C-N 3.31Å; F70-W72 PolarHBondContact O-N 3.5Å; F70-I73 PolarHBondContact O-N 3.2Å; F70-S74 WeakPolarHBondContact O-CB 3.34Å; F70-S74 PolarHBondContact O-N 2.83Å; F70-S74 PolarHBondContact O-OG 3.24Å |
| 71 | Q | 32.7 | Very low | 36.6 | Very low | 142 Ų | 142 | 117 Ų | 117 | 66% | 0.664 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62 | -38.6 | 175 | -75.1 | -175.6 | -15.5 | 0 | 0 | 112 | K67 D68 S74 A75 | K67-Q71 PolarHBondContact O-N 3.12Å; D68-Q71 PolarHBondContact O-N 3.48Å; Q71-S74 PolarHBondContact O-N 2.93Å; Q71-A75 WeakPolarHBondContact O-CB 3.39Å; Q71-A75 PolarHBondContact O-N 3.41Å |
| 72 | W | 28 | Very low | 37.1 | Very low | 159 Ų | 159 | 114.5 Ų | 114.5 | 60% | 0.602 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.1 | -32.8 | 177.7 | -161.3 | 90.4 | 0 | 0 | 0 | 113.1 | D68 A69 F70 | D68-W72 VanDerWaalsContact O-CB 3.26Å; D68-W72 WeakPolarHBondContact O-CB 3.2Å; D68-W72 PolarHBondContact O-N 2.99Å; A69-W72 PolarHBondContact O-N 2.98Å; F70-W72 VanDerWaalsContact C-N 3.31Å; F70-W72 PolarHBondContact O-N 3.5Å |
| 73 | I | 33.1 | Very low | 37.7 | Very low | 89 Ų | 89 | 106.8 Ų | 106.8 | 46% | 0.456 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.5 | -48.4 | 171.8 | -69.3 | 164.8 | 0 | 0 | 0 | 110.3 | A69 F70 A75 R76 V77 | A69-I73 WeakPolarHBondContact O-CD1 3.4Å; A69-I73 VanDerWaalsContact O-CG1 3.24Å; A69-I73 WeakPolarHBondContact O-CG1 3.5Å; A69-I73 PolarHBondContact O-N 3.44Å; F70-I73 PolarHBondContact O-N 3.2Å; I73-A75 PolarHBondContact O-N 3.47Å; I73-R76 PolarHBondContact O-N 3.02Å; I73-V77 HydrophobicContact CG2-CG2 3.8Å; I73-V77 VanDerWaalsContact O-CG2 3.27Å; I73-V77 WeakPolarHBondContact O-CG2 3.44Å; I73-V77 PolarHBondContact O-N 3.13Å; I73-V77 VanDerWaalsContact O-N 3.15Å |
| 74 | S | 35 | Very low | 38.5 | Very low | 85 Ų | 85 | 105.5 Ų | 105.5 | 59% | 0.594 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.4 | -28.8 | 178.5 | -64.8 | 0 | 0 | 0 | 0 | 113.5 | F70 Q71 R76 | F70-S74 WeakPolarHBondContact O-CB 3.34Å; F70-S74 PolarHBondContact O-N 2.83Å; F70-S74 PolarHBondContact O-OG 3.24Å; Q71-S74 PolarHBondContact O-N 2.93Å; S74-R76 VanDerWaalsContact C-N 3.29Å; S74-R76 PolarHBondContact O-N 2.87Å |
| 75 | A | 35.8 | Very low | 39.3 | Very low | 86 Ų | 86 | 102.2 Ų | 102.2 | 71% | 0.711 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -5.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q71 I73 | Q71-A75 WeakPolarHBondContact O-CB 3.39Å; Q71-A75 PolarHBondContact O-N 3.41Å; I73-A75 PolarHBondContact O-N 3.47Å |
| 76 | R | 34 | Very low | 41 | Very low | 182 Ų | 182 | 103.1 Ų | 103.1 | 69% | 0.687 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125 | -9.9 | -178 | -67.8 | -177 | -176.5 | -113.3 | -3.1 | 114.8 | I73 S74 S78 | I73-R76 PolarHBondContact O-N 3.02Å; S74-R76 VanDerWaalsContact C-N 3.29Å; S74-R76 PolarHBondContact O-N 2.87Å; R76-S78 PolarHBondContact O-N 2.98Å |
| 77 | V | 36.8 | Very low | 42.9 | Very low | 73 Ų | 73 | 95 Ų | 95 | 44% | 0.442 | 51% | 0.507 | S | S | . | . | trans | -90.8 | 102.7 | -178.4 | 167 | 0 | 0 | 0 | 0 | 108.3 | I73 T81 | I73-V77 HydrophobicContact CG2-CG2 3.8Å; I73-V77 VanDerWaalsContact O-CG2 3.27Å; I73-V77 WeakPolarHBondContact O-CG2 3.44Å; I73-V77 PolarHBondContact O-N 3.13Å; I73-V77 VanDerWaalsContact O-N 3.15Å; V77-T81 WeakPolarHBondContact CG1-OG1 3.24Å | ||
| 78 | S | 41.2 | Very low | 44.3 | Very low | 56 Ų | 56 | 96.2 Ų | 96.2 | 39% | 0.392 | 51% | 0.508 | S | S | . | . | trans | -63.3 | 149.1 | 174.2 | 65.8 | 0 | 0 | 0 | 0 | 110 | R76 N80 T81 | R76-S78 PolarHBondContact O-N 2.98Å; S78-N80 PolarHBondContact O-N 3.38Å; S78-T81 PolarHBondContact N-OG1 3.03Å; S78-T81 PolarHBondContact O-N 3.32Å; S78-T81 PolarHBondContact O-OG1 3.45Å | ||
| 79 | P | 44 | Very low | 46.3 | Very low | 86 Ų | 86 | 93.3 Ų | 93.3 | 56% | 0.558 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -54.9 | -30.5 | -176.4 | 18.8 | -31.7 | 0 | 0 | 0 | 113.1 | T81 L82 W83 | P79-T81 VanDerWaalsContact C-N 3.31Å; P79-T81 PolarHBondContact O-N 2.99Å; P79-L82 PolarHBondContact O-N 2.92Å; P79-W83 VanDerWaalsContact O-CD1 3.24Å; P79-W83 PolarHBondContact O-N 3.1Å |
| 80 | N | 52.5 | Low | 48.3 | Very low | 110 Ų | 110 | 94.1 Ų | 94.1 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.7 | -40.9 | 175 | -59.6 | 0.2 | 0 | 0 | 0 | 112.1 | S78 L82 W83 D84 | S78-N80 PolarHBondContact O-N 3.38Å; N80-L82 VanDerWaalsContact C-N 3.29Å; N80-L82 PolarHBondContact O-N 3.23Å; N80-W83 CarbonylContact O-C 3.58Å; N80-W83 WeakPolarHBondContact O-CA 3.47Å; N80-W83 WeakPolarHBondContact O-CB 3.34Å; N80-W83 PolarHBondContact O-N 3.16Å; N80-D84 VanDerWaalsContact O-CG 3.24Å; N80-D84 PolarHBondContact O-N 3.48Å |
| 81 | T | 52.7 | Low | 50 | Low | 59 Ų | 59 | 91.8 Ų | 91.8 | 36% | 0.362 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.2 | -20.5 | -178.3 | 55.3 | 0 | 0 | 0 | 0 | 114.4 | V77 S78 P79 A85 | V77-T81 WeakPolarHBondContact CG1-OG1 3.24Å; S78-T81 PolarHBondContact N-OG1 3.03Å; S78-T81 PolarHBondContact O-N 3.32Å; S78-T81 PolarHBondContact O-OG1 3.45Å; P79-T81 VanDerWaalsContact C-N 3.31Å; P79-T81 PolarHBondContact O-N 2.99Å; T81-A85 WeakPolarHBondContact O-CB 3.28Å; T81-A85 PolarHBondContact O-N 2.93Å |
| 82 | L | 47.7 | Very low | 51.7 | Low | 73 Ų | 73 | 87.2 Ų | 87.2 | 38% | 0.382 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -75.7 | -40.2 | 168.3 | -177.9 | 66.3 | 0 | 0 | 0 | 111.2 | P79 N80 D84 A85 I86 F257 | P79-L82 PolarHBondContact O-N 2.92Å; N80-L82 VanDerWaalsContact C-N 3.29Å; N80-L82 PolarHBondContact O-N 3.23Å; L82-D84 VanDerWaalsContact C-N 3.31Å; L82-A85 PolarHBondContact O-N 3.19Å; L82-I86 HydrophobicContact CD1-CD1 4.39Å; L82-I86 HydrophobicContact CG-CD1 4.16Å; L82-I86 WeakPolarHBondContact O-CG1 3.43Å; L82-I86 PolarHBondContact O-N 3.38Å; L82-F257 HydrophobicContact CD2-CD1 4.09Å; L82-F257 HydrophobicContact CD2-CE1 3.71Å |
| 83 | W | 46.9 | Very low | 54.2 | Low | 94 Ų | 94 | 83.4 Ų | 83.4 | 36% | 0.356 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.1 | -38 | 172.5 | -74.3 | 110.7 | 0 | 0 | 0 | 111.9 | P79 N80 I86 S87 A254 L258 | P79-W83 VanDerWaalsContact O-CD1 3.24Å; P79-W83 PolarHBondContact O-N 3.1Å; N80-W83 CarbonylContact O-C 3.58Å; N80-W83 WeakPolarHBondContact O-CA 3.47Å; N80-W83 WeakPolarHBondContact O-CB 3.34Å; N80-W83 PolarHBondContact O-N 3.16Å; W83-I86 PolarHBondContact O-N 2.83Å; W83-S87 VanDerWaalsContact O-CB 3.29Å; W83-S87 WeakPolarHBondContact O-CB 3.23Å; W83-S87 PolarHBondContact O-N 3.04Å; W83-S87 PolarHBondContact O-OG 3.3Å; W83-S87 VanDerWaalsContact O-OG 3.06Å; W83-A254 HydrophobicContact CH2-CB 3.34Å; W83-A254 HydrophobicContact CZ2-CB 4.01Å; W83-A254 HydrophobicContact CZ3-CB 3.7Å; W83-L258 HydrophobicContact CZ2-CD1 3.78Å |
| 84 | D | 53 | Low | 55.9 | Low | 76 Ų | 76 | 83.4 Ų | 83.4 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.7 | -48.7 | 170.9 | -62.9 | -34 | 0 | 0 | 0 | 110.6 | N80 L82 I86 S87 W88 | N80-D84 VanDerWaalsContact O-CG 3.24Å; N80-D84 PolarHBondContact O-N 3.48Å; L82-D84 VanDerWaalsContact C-N 3.31Å; D84-I86 VanDerWaalsContact C-N 3.29Å; D84-I86 PolarHBondContact O-N 2.74Å; D84-S87 WeakPolarHBondContact CA-OG 3.4Å; D84-S87 PolarHBondContact O-N 3.33Å; D84-S87 PolarHBondContact O-OG 2.92Å; D84-S87 VanDerWaalsContact O-OG 3.08Å; D84-W88 WeakPolarHBondContact O-CB 3.34Å; D84-W88 PolarHBondContact O-N 2.86Å |
| 85 | A | 56.6 | Low | 57.5 | Low | 63 Ų | 63 | 82 Ų | 82 | 52% | 0.521 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.9 | -37.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T81 L82 G89 | T81-A85 WeakPolarHBondContact O-CB 3.28Å; T81-A85 PolarHBondContact O-N 2.93Å; L82-A85 PolarHBondContact O-N 3.19Å; A85-G89 PolarHBondContact O-N 3.12Å |
| 86 | I | 66.6 | Low | 59.1 | Low | 70 Ų | 70 | 83.8 Ų | 83.8 | 36% | 0.359 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.5 | -41.4 | 177 | -66 | 168.2 | 0 | 0 | 0 | 111 | L82 W83 D84 G89 T90 | L82-I86 HydrophobicContact CD1-CD1 4.39Å; L82-I86 HydrophobicContact CG-CD1 4.16Å; L82-I86 WeakPolarHBondContact O-CG1 3.43Å; L82-I86 PolarHBondContact O-N 3.38Å; W83-I86 PolarHBondContact O-N 2.83Å; D84-I86 VanDerWaalsContact C-N 3.29Å; D84-I86 PolarHBondContact O-N 2.74Å; I86-G89 PolarHBondContact O-N 2.91Å; I86-T90 PolarHBondContact O-N 3Å; I86-T90 PolarHBondContact O-OG1 3.29Å |
| 87 | S | 70.4 | Confident | 60.8 | Low | 57 Ų | 57 | 79.3 Ų | 79.3 | 40% | 0.399 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.1 | -43.4 | 179.6 | 68.1 | 0 | 0 | 0 | 0 | 112.4 | W83 D84 G89 T90 L91 | W83-S87 VanDerWaalsContact O-CB 3.29Å; W83-S87 WeakPolarHBondContact O-CB 3.23Å; W83-S87 PolarHBondContact O-N 3.04Å; W83-S87 PolarHBondContact O-OG 3.3Å; W83-S87 VanDerWaalsContact O-OG 3.06Å; D84-S87 WeakPolarHBondContact CA-OG 3.4Å; D84-S87 PolarHBondContact O-N 3.33Å; D84-S87 PolarHBondContact O-OG 2.92Å; D84-S87 VanDerWaalsContact O-OG 3.08Å; S87-G89 VanDerWaalsContact C-N 3.31Å; S87-G89 PolarHBondContact O-N 3.31Å; S87-T90 PolarHBondContact O-N 2.93Å; S87-T90 PolarHBondContact O-OG1 2.86Å; S87-L91 VanDerWaalsContact O-CB 3.23Å; S87-L91 WeakPolarHBondContact O-CB 3.29Å; S87-L91 PolarHBondContact O-N 3.06Å |
| 88 | W | 62.4 | Low | 62.3 | Low | 172 Ų | 172 | 80.7 Ų | 80.7 | 65% | 0.652 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.9 | -34.6 | 171.8 | -72.5 | 111.6 | 0 | 0 | 0 | 112 | D84 L91 A92 | D84-W88 WeakPolarHBondContact O-CB 3.34Å; D84-W88 PolarHBondContact O-N 2.86Å; W88-L91 HydrophobicContact CE3-CD2 3.66Å; W88-L91 HydrophobicContact CZ3-CD2 3.54Å; W88-A92 WeakPolarHBondContact O-CB 3.49Å; W88-A92 PolarHBondContact O-N 3.17Å |
| 89 | G | 78.7 | Confident | 63.5 | Low | 36 Ų | 36 | 80.7 Ų | 80.7 | 37% | 0.371 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | A85 I86 S87 A92 V93 | A85-G89 PolarHBondContact O-N 3.12Å; I86-G89 PolarHBondContact O-N 2.91Å; S87-G89 VanDerWaalsContact C-N 3.31Å; S87-G89 PolarHBondContact O-N 3.31Å; G89-A92 PolarHBondContact O-N 3.37Å; G89-V93 WeakPolarHBondContact O-CG2 3.27Å; G89-V93 PolarHBondContact O-N 3.42Å; G89-V93 VanDerWaalsContact O-N 3.17Å |
| 90 | T | 74.3 | Confident | 64.3 | Low | 63 Ų | 63 | 86.1 Ų | 86.1 | 39% | 0.387 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.2 | -39.1 | 176.5 | 53.1 | 0 | 0 | 0 | 0 | 112.1 | I86 S87 A92 V93 L94 | I86-T90 PolarHBondContact O-N 3Å; I86-T90 PolarHBondContact O-OG1 3.29Å; S87-T90 PolarHBondContact O-N 2.93Å; S87-T90 PolarHBondContact O-OG1 2.86Å; T90-A92 VanDerWaalsContact C-N 3.34Å; T90-A92 PolarHBondContact O-N 3.25Å; T90-V93 PolarHBondContact O-N 3.25Å; T90-L94 WeakPolarHBondContact O-CG 3.27Å; T90-L94 PolarHBondContact O-N 3.46Å |
| 91 | L | 67.1 | Low | 64.4 | Low | 96 Ų | 96 | 86.7 Ų | 86.7 | 50% | 0.503 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.2 | -42.4 | 173.9 | -162.7 | 87.5 | 0 | 0 | 0 | 111.8 | S87 W88 L94 A95 | S87-L91 VanDerWaalsContact O-CB 3.23Å; S87-L91 WeakPolarHBondContact O-CB 3.29Å; S87-L91 PolarHBondContact O-N 3.06Å; W88-L91 HydrophobicContact CE3-CD2 3.66Å; W88-L91 HydrophobicContact CZ3-CD2 3.54Å; L91-L94 PolarHBondContact O-N 3.21Å; L91-A95 WeakPolarHBondContact O-CB 3.35Å; L91-A95 PolarHBondContact O-N 2.93Å |
| 92 | A | 69.6 | Low | 64.9 | Low | 47 Ų | 47 | 89 Ų | 89 | 39% | 0.388 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W88 G89 T90 A95 L96 | W88-A92 WeakPolarHBondContact O-CB 3.49Å; W88-A92 PolarHBondContact O-N 3.17Å; G89-A92 PolarHBondContact O-N 3.37Å; T90-A92 VanDerWaalsContact C-N 3.34Å; T90-A92 PolarHBondContact O-N 3.25Å; A92-A95 PolarHBondContact O-N 3.25Å; A92-L96 WeakPolarHBondContact O-CB 3.48Å; A92-L96 WeakPolarHBondContact O-CD1 3.49Å; A92-L96 WeakPolarHBondContact O-CG 3.29Å; A92-L96 PolarHBondContact O-N 2.86Å |
| 93 | V | 78.9 | Confident | 64.7 | Low | 78 Ų | 78 | 92.3 Ų | 92.3 | 47% | 0.473 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 174.5 | 172 | 0 | 0 | 0 | 0 | 111.1 | G89 T90 L96 Q97 | G89-V93 WeakPolarHBondContact O-CG2 3.27Å; G89-V93 PolarHBondContact O-N 3.42Å; G89-V93 VanDerWaalsContact O-N 3.17Å; T90-V93 PolarHBondContact O-N 3.25Å; V93-L96 PolarHBondContact O-N 2.86Å; V93-Q97 WeakPolarHBondContact O-CB 3.4Å; V93-Q97 WeakPolarHBondContact O-CG 3.41Å; V93-Q97 PolarHBondContact O-N 2.85Å |
| 94 | L | 70.4 | Confident | 64.6 | Low | 89 Ų | 89 | 95.1 Ų | 95.1 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 174.6 | -74.9 | 169.1 | 0 | 0 | 0 | 111.8 | T90 L91 L96 Q97 L98 | T90-L94 WeakPolarHBondContact O-CG 3.27Å; T90-L94 PolarHBondContact O-N 3.46Å; L91-L94 PolarHBondContact O-N 3.21Å; L94-L96 PolarHBondContact O-N 3.06Å; L94-Q97 PolarHBondContact O-N 3.48Å; L94-L98 WeakPolarHBondContact O-CB 3.48Å; L94-L98 PolarHBondContact O-N 3.48Å |
| 95 | A | 67.5 | Low | 64.2 | Low | 56 Ų | 56 | 100.5 Ų | 100.5 | 46% | 0.463 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L91 A92 L98 A99 | L91-A95 WeakPolarHBondContact O-CB 3.35Å; L91-A95 PolarHBondContact O-N 2.93Å; A92-A95 PolarHBondContact O-N 3.25Å; A95-L98 PolarHBondContact O-N 2.92Å; A95-A99 VanDerWaalsContact O-CB 3.27Å; A95-A99 WeakPolarHBondContact O-CB 3.37Å; A95-A99 PolarHBondContact O-N 2.7Å |
| 96 | L | 70.6 | Confident | 63.8 | Low | 124 Ų | 124 | 101.5 Ų | 101.5 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66 | -37.6 | 174.6 | -83 | 159.2 | 0 | 0 | 0 | 112.6 | A92 V93 L94 R100 | A92-L96 WeakPolarHBondContact O-CB 3.48Å; A92-L96 WeakPolarHBondContact O-CD1 3.49Å; A92-L96 WeakPolarHBondContact O-CG 3.29Å; A92-L96 PolarHBondContact O-N 2.86Å; V93-L96 PolarHBondContact O-N 2.86Å; L94-L96 PolarHBondContact O-N 3.06Å; L96-R100 VanDerWaalsContact O-CB 3.29Å; L96-R100 WeakPolarHBondContact O-CB 3.36Å; L96-R100 PolarHBondContact O-N 2.98Å |
| 97 | Q | 68.3 | Low | 62.7 | Low | 88 Ų | 88 | 101.7 Ų | 101.7 | 41% | 0.411 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.1 | -41.4 | 175.4 | -74.7 | -179.6 | -12.9 | 0 | 0 | 112 | V93 L94 R100 Q101 | V93-Q97 WeakPolarHBondContact O-CB 3.4Å; V93-Q97 WeakPolarHBondContact O-CG 3.41Å; V93-Q97 PolarHBondContact O-N 2.85Å; L94-Q97 PolarHBondContact O-N 3.48Å; Q97-R100 PolarHBondContact O-N 3.28Å; Q97-Q101 PolarHBondContact O-N 2.8Å |
| 98 | L | 69.7 | Low | 61.4 | Low | 101 Ų | 101 | 104.9 Ų | 104.9 | 53% | 0.529 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61 | -50.5 | 172.1 | -95.1 | 160 | 0 | 0 | 0 | 111.5 | L94 A95 R100 Q101 I102 | L94-L98 WeakPolarHBondContact O-CB 3.48Å; L94-L98 PolarHBondContact O-N 3.48Å; A95-L98 PolarHBondContact O-N 2.92Å; L98-R100 VanDerWaalsContact C-N 3.26Å; L98-R100 PolarHBondContact O-N 3.03Å; L98-Q101 PolarHBondContact O-N 2.9Å; L98-Q101 VanDerWaalsContact O-N 3.12Å; L98-I102 WeakPolarHBondContact O-CB 3.48Å; L98-I102 VanDerWaalsContact O-CG1 3.27Å; L98-I102 WeakPolarHBondContact O-CG1 3.4Å; L98-I102 PolarHBondContact O-N 3.48Å |
| 99 | A | 64.6 | Low | 60.4 | Low | 57 Ų | 57 | 102.6 Ų | 102.6 | 47% | 0.471 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -57.1 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A95 H103 | A95-A99 VanDerWaalsContact O-CB 3.27Å; A95-A99 WeakPolarHBondContact O-CB 3.37Å; A95-A99 PolarHBondContact O-N 2.7Å; A99-H103 VanDerWaalsContact O-CB 3.28Å; A99-H103 WeakPolarHBondContact O-CB 3.42Å; A99-H103 PolarHBondContact O-N 3.38Å |
| 100 | R | 61.6 | Low | 58.5 | Low | 199 Ų | 199 | 105.6 Ų | 105.6 | 75% | 0.751 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.2 | -40.7 | 175.5 | -175 | 174.3 | 174.5 | 175.5 | -2.8 | 112.8 | L96 Q97 L98 F104 | L96-R100 VanDerWaalsContact O-CB 3.29Å; L96-R100 WeakPolarHBondContact O-CB 3.36Å; L96-R100 PolarHBondContact O-N 2.98Å; Q97-R100 PolarHBondContact O-N 3.28Å; L98-R100 VanDerWaalsContact C-N 3.26Å; L98-R100 PolarHBondContact O-N 3.03Å; R100-F104 WeakPolarHBondContact O-CB 3.45Å; R100-F104 PolarHBondContact O-N 2.9Å |
| 101 | Q | 54.9 | Low | 57 | Low | 123 Ų | 123 | 105.4 Ų | 105.4 | 58% | 0.575 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -67.9 | -41.1 | 175.7 | -77.8 | -166.8 | -5.8 | 0 | 0 | 112.5 | Q97 L98 F104 R105 | Q97-Q101 PolarHBondContact O-N 2.8Å; L98-Q101 PolarHBondContact O-N 2.9Å; L98-Q101 VanDerWaalsContact O-N 3.12Å; Q101-F104 PolarHBondContact O-N 3.07Å; Q101-R105 WeakPolarHBondContact O-CG 3.38Å; Q101-R105 PolarHBondContact O-N 3.48Å |
| 102 | I | 62.6 | Low | 55.7 | Low | 107 Ų | 107 | 106.7 Ų | 106.7 | 55% | 0.549 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -62.8 | -47.5 | 176.4 | -67 | 163.2 | 0 | 0 | 0 | 109.6 | L98 F104 R105 A106 | L98-I102 WeakPolarHBondContact O-CB 3.48Å; L98-I102 VanDerWaalsContact O-CG1 3.27Å; L98-I102 WeakPolarHBondContact O-CG1 3.4Å; L98-I102 PolarHBondContact O-N 3.48Å; I102-F104 VanDerWaalsContact C-N 3.31Å; I102-F104 PolarHBondContact O-N 3.49Å; I102-R105 PolarHBondContact O-N 2.92Å; I102-A106 WeakPolarHBondContact O-CB 3.45Å; I102-A106 PolarHBondContact O-N 3.31Å |
| 103 | H | 45 | Very low | 54.3 | Low | 142 Ų | 142 | 110.4 Ų | 110.4 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.6 | -36.1 | 177 | -166.3 | -49.4 | 0 | 0 | 0 | 112.4 | A99 S107 | A99-H103 VanDerWaalsContact O-CB 3.28Å; A99-H103 WeakPolarHBondContact O-CB 3.42Å; A99-H103 PolarHBondContact O-N 3.38Å; H103-S107 WeakPolarHBondContact O-CB 3.27Å; H103-S107 PolarHBondContact O-N 2.81Å; H103-S107 PolarHBondContact O-OG 3.38Å |
| 104 | F | 43.8 | Very low | 52.1 | Low | 154 Ų | 154 | 115.2 Ų | 115.2 | 68% | 0.675 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.7 | -32.9 | 177.6 | -156.5 | -90.2 | 0 | 0 | 0 | 112.7 | R100 Q101 I102 S107 | R100-F104 WeakPolarHBondContact O-CB 3.45Å; R100-F104 PolarHBondContact O-N 2.9Å; Q101-F104 PolarHBondContact O-N 3.07Å; I102-F104 VanDerWaalsContact C-N 3.31Å; I102-F104 PolarHBondContact O-N 3.49Å; F104-S107 WeakPolarHBondContact CA-OG 3.42Å; F104-S107 PolarHBondContact O-OG 3.11Å |
| 105 | R | 44.6 | Very low | 50.6 | Low | 189 Ų | 189 | 117.1 Ų | 117.1 | 71% | 0.713 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -76.8 | -33.8 | 174 | -72 | -176.4 | 178.4 | -166.6 | 0.7 | 112.7 | Q101 I102 S107 | Q101-R105 WeakPolarHBondContact O-CG 3.38Å; Q101-R105 PolarHBondContact O-N 3.48Å; I102-R105 PolarHBondContact O-N 2.92Å; R105-S107 VanDerWaalsContact C-N 3.27Å; R105-S107 PolarHBondContact O-N 2.65Å |
| 106 | A | 47.9 | Very low | 49.1 | Very low | 83 Ų | 83 | 121.9 Ų | 121.9 | 69% | 0.686 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -72.6 | -16 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I102 | I102-A106 WeakPolarHBondContact O-CB 3.45Å; I102-A106 PolarHBondContact O-N 3.31Å |
| 107 | S | 44 | Very low | 47.4 | Very low | 74 Ų | 74 | 124.7 Ų | 124.7 | 52% | 0.517 | 68% | 0.677 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -94.1 | 7.1 | 176.8 | 53.8 | 0 | 0 | 0 | 0 | 114.9 | H103 F104 R105 | H103-S107 WeakPolarHBondContact O-CB 3.27Å; H103-S107 PolarHBondContact O-N 2.81Å; H103-S107 PolarHBondContact O-OG 3.38Å; F104-S107 WeakPolarHBondContact CA-OG 3.42Å; F104-S107 PolarHBondContact O-OG 3.11Å; R105-S107 VanDerWaalsContact C-N 3.27Å; R105-S107 PolarHBondContact O-N 2.65Å |
| 108 | L | 42.9 | Very low | 45.7 | Very low | 124 Ų | 124 | 124.8 Ų | 124.8 | 65% | 0.649 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -77.1 | 130.7 | 166.7 | -77.2 | 159 | 0 | 0 | 0 | 109.1 | A110 | L108-A110 PolarHBondContact O-N 2.87Å; L108-A110 VanDerWaalsContact O-N 3.15Å |
| 109 | P | 40.9 | Very low | 44.3 | Very low | 125 Ų | 125 | 124.4 Ų | 124.4 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 116.1 | -177.9 | 26.6 | -33.1 | 0 | 0 | 0 | 110.2 | G111 | P109-G111 PolarHBondContact O-N 3.42Š|
| 110 | A | 38.9 | Very low | 42.9 | Very low | 99 Ų | 99 | 131.6 Ų | 131.6 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 127.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L108 | L108-A110 PolarHBondContact O-N 2.87Å; L108-A110 VanDerWaalsContact O-N 3.15Å |
| 111 | G | 42.9 | Very low | 41.7 | Very low | 58 Ų | 58 | 128.8 Ų | 128.8 | 60% | 0.598 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 169.8 | 153 | 0 | 0 | 0 | 0 | 0 | 111 | P109 | P109-G111 PolarHBondContact O-N 3.42Š|
| 112 | P | 40 | Very low | 41.4 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 81% | 0.805 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -62.5 | 149 | -169.5 | 26.1 | -34.8 | 0 | 0 | 0 | 112.8 | Q114 | P112-Q114 PolarHBondContact O-N 2.99Š|
| 113 | P | 40.6 | Very low | 40.6 | Very low | 125 Ų | 125 | 125.6 Ų | 125.6 | 81% | 0.812 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 118.8 | -166.5 | 30.1 | -34.7 | 0 | 0 | 0 | 112 | ||
| 114 | Q | 31.5 | Very low | 40.5 | Very low | 179 Ų | 179 | 124.4 Ų | 124.4 | 84% | 0.836 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 134.7 | 153.5 | -81.3 | -172.6 | -20.2 | 0 | 0 | 109.5 | P112 E116 | P112-Q114 PolarHBondContact O-N 2.99Å; Q114-E116 PolarHBondContact O-N 3.36Å |
| 115 | V | 40.8 | Very low | 40.4 | Very low | 129 Ų | 129 | 120.9 Ų | 120.9 | 78% | 0.782 | 69% | 0.687 | S | S | * | * | trans | -82 | 95.6 | 178.1 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 116 | E | 34.4 | Very low | 40.3 | Very low | 156 Ų | 156 | 121.3 Ų | 121.3 | 73% | 0.729 | 69% | 0.689 | S | S | * | * | trans | -115.1 | 125.1 | 163.8 | -72 | -163.2 | 146.6 | 0 | 0 | 110.3 | Q114 C118 | Q114-E116 PolarHBondContact O-N 3.36Å; E116-C118 VanDerWaalsContact C-N 3.31Å; E116-C118 PolarHBondContact O-N 3.17Å | ||
| 117 | H | 35.6 | Very low | 40.1 | Very low | 182 Ų | 182 | 123.8 Ų | 123.8 | 84% | 0.843 | 69% | 0.685 | S | S | * | * | trans | -74.3 | 81.3 | 176 | -77.3 | -84.2 | 0 | 0 | 0 | 110.6 | S119 | H117-S119 PolarHBondContact O-N 3.28Å; H117-S119 VanDerWaalsContact O-N 3.13Å | ||
| 118 | C | 33.3 | Very low | 40.2 | Very low | 90 Ų | 90 | 124 Ų | 124 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | trans | -65.3 | 110.6 | 172.1 | -69 | 0 | 0 | 0 | 0 | 111.1 | E116 W120 | E116-C118 VanDerWaalsContact C-N 3.31Å; E116-C118 PolarHBondContact O-N 3.17Å; C118-W120 PolarHBondContact O-N 2.9Å | ||
| 119 | S | 38.6 | Very low | 40 | Very low | 93 Ų | 93 | 122.6 Ų | 122.6 | 65% | 0.65 | 68% | 0.68 | S | S | * | * | trans | -75 | 87 | 176.4 | 49.3 | 0 | 0 | 0 | 0 | 111.7 | H117 H121 S122 | H117-S119 PolarHBondContact O-N 3.28Å; H117-S119 VanDerWaalsContact O-N 3.13Å; S119-H121 PolarHBondContact O-N 3.01Å; S119-S122 PolarHBondContact O-N 3.35Å | ||
| 120 | W | 35.3 | Very low | 39.8 | Very low | 208 Ų | 208 | 118.8 Ų | 118.8 | 79% | 0.788 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | -10.9 | -177.5 | -78.8 | 88.5 | 0 | 0 | 0 | 116.2 | C118 P123 | C118-W120 PolarHBondContact O-N 2.9Å; W120-P123 WeakPolarHBondContact O-CD 3.44Å |
| 121 | H | 37.3 | Very low | 39.7 | Very low | 140 Ų | 140 | 119.8 Ų | 119.8 | 65% | 0.648 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68 | -30.5 | 178 | -71 | -76.4 | 0 | 0 | 0 | 113.6 | S119 D125 | S119-H121 PolarHBondContact O-N 3.01Å; H121-D125 WeakPolarHBondContact O-CB 3.36Å; H121-D125 PolarHBondContact O-N 3.34Å |
| 122 | S | 49 | Very low | 39.5 | Very low | 74 Ų | 74 | 124.8 Ų | 124.8 | 52% | 0.517 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -55.8 | -46.2 | -169.9 | -177.4 | 0 | 0 | 0 | 0 | 116.2 | S119 R126 | S119-S122 PolarHBondContact O-N 3.35Å; S122-R126 VanDerWaalsContact O-CB 3.23Å; S122-R126 WeakPolarHBondContact O-CB 3.2Å; S122-R126 PolarHBondContact O-N 3.48Å |
| 123 | P | 45.6 | Very low | 39.1 | Very low | 90 Ų | 90 | 126 Ų | 126 | 58% | 0.584 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -79.1 | -39.6 | -172.8 | -13.5 | 30.3 | 0 | 0 | 0 | 113 | W120 R126 F127 | W120-P123 WeakPolarHBondContact O-CD 3.44Å; P123-R126 PolarHBondContact O-N 2.91Å; P123-F127 PolarHBondContact O-N 3.48Å; P123-F127 VanDerWaalsContact O-N 3.07Å |
| 124 | L | 43.2 | Very low | 38.6 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 61% | 0.613 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70 | -45.9 | 179.4 | -77.5 | 167.6 | 0 | 0 | 0 | 110.5 | R126 F127 L128 | L124-R126 VanDerWaalsContact C-N 3.25Å; L124-R126 PolarHBondContact O-N 2.89Å; L124-F127 WeakPolarHBondContact O-CB 3.47Å; L124-F127 PolarHBondContact O-N 3.39Å; L124-F127 VanDerWaalsContact O-N 3.11Å; L124-L128 WeakPolarHBondContact O-CB 3.03Å; L124-L128 WeakPolarHBondContact O-CG 3.5Å; L124-L128 PolarHBondContact O-N 3.18Å |
| 125 | D | 41.4 | Very low | 39.3 | Very low | 79 Ų | 79 | 124.7 Ų | 124.7 | 42% | 0.422 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -63.2 | -34.1 | 176.5 | -70.2 | -29.4 | 0 | 0 | 0 | 111.4 | H121 F127 L128 S129 | H121-D125 WeakPolarHBondContact O-CB 3.36Å; H121-D125 PolarHBondContact O-N 3.34Å; D125-F127 PolarHBondContact O-N 2.95Å; D125-L128 PolarHBondContact O-N 3.47Å; D125-S129 WeakPolarHBondContact O-CA 3.23Å; D125-S129 WeakPolarHBondContact O-CB 3.48Å; D125-S129 PolarHBondContact O-N 2.97Å; D125-S129 PolarHBondContact O-OG 3.3Å |
| 126 | R | 41.8 | Very low | 38.9 | Very low | 199 Ų | 199 | 124.2 Ų | 124.2 | 75% | 0.751 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -69.5 | -30.4 | 175.3 | -162.8 | 175.2 | -160.2 | 165.1 | 4.7 | 113.4 | S122 P123 L124 | S122-R126 VanDerWaalsContact O-CB 3.23Å; S122-R126 WeakPolarHBondContact O-CB 3.2Å; S122-R126 PolarHBondContact O-N 3.48Å; P123-R126 PolarHBondContact O-N 2.91Å; L124-R126 VanDerWaalsContact C-N 3.25Å; L124-R126 PolarHBondContact O-N 2.89Å |
| 127 | F | 43.8 | Very low | 38.9 | Very low | 135 Ų | 135 | 122.6 Ų | 122.6 | 59% | 0.592 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -72.6 | -47.4 | 173.5 | -172.4 | -97.6 | 0 | 0 | 0 | 111.2 | P123 L124 D125 S129 S130 | P123-F127 PolarHBondContact O-N 3.48Å; P123-F127 VanDerWaalsContact O-N 3.07Å; L124-F127 WeakPolarHBondContact O-CB 3.47Å; L124-F127 PolarHBondContact O-N 3.39Å; L124-F127 VanDerWaalsContact O-N 3.11Å; D125-F127 PolarHBondContact O-N 2.95Å; F127-S129 VanDerWaalsContact C-N 3.34Å; F127-S129 PolarHBondContact O-N 2.93Å; F127-S130 PolarHBondContact O-N 3.03Å; F127-S130 PolarHBondContact O-OG 3.41Å |
| 128 | L | 45.9 | Very low | 38.9 | Very low | 78 Ų | 78 | 118.5 Ų | 118.5 | 41% | 0.408 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -71.8 | -24.1 | 180 | -58.4 | 168.8 | 0 | 0 | 0 | 113.1 | L124 D125 W133 | L124-L128 WeakPolarHBondContact O-CB 3.03Å; L124-L128 WeakPolarHBondContact O-CG 3.5Å; L124-L128 PolarHBondContact O-N 3.18Å; D125-L128 PolarHBondContact O-N 3.47Å; L128-W133 HydrophobicContact CB-CE3 4.37Å; L128-W133 HydrophobicContact CB-CZ3 4.05Å; L128-W133 HydrophobicContact CD2-CE3 4.2Å; L128-W133 HydrophobicContact CD2-CH2 3.32Å; L128-W133 HydrophobicContact CD2-CZ2 4.22Å; L128-W133 HydrophobicContact CD2-CZ3 3.31Å; L128-W133 HydrophobicContact CG-CZ3 4.26Å |
| 129 | S | 38.9 | Very low | 39 | Very low | 94 Ų | 94 | 121 Ų | 121 | 66% | 0.657 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 6.1 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 114.2 | D125 F127 | D125-S129 WeakPolarHBondContact O-CA 3.23Å; D125-S129 WeakPolarHBondContact O-CB 3.48Å; D125-S129 PolarHBondContact O-N 2.97Å; D125-S129 PolarHBondContact O-OG 3.3Å; F127-S129 VanDerWaalsContact C-N 3.34Å; F127-S129 PolarHBondContact O-N 2.93Å |
| 130 | S | 36.6 | Very low | 38.7 | Very low | 45 Ų | 45 | 128 Ų | 128 | 32% | 0.315 | 66% | 0.664 | S | S | . | * | trans | -68.8 | 133.4 | 179.7 | 62.9 | 0 | 0 | 0 | 0 | 110.8 | F127 L132 W133 | F127-S130 PolarHBondContact O-N 3.03Å; F127-S130 PolarHBondContact O-OG 3.41Å; S130-L132 PolarHBondContact O-N 3.31Å; S130-W133 WeakPolarHBondContact O-CB 3.43Å; S130-W133 PolarHBondContact O-N 2.98Å | ||
| 131 | P | 37.4 | Very low | 38.7 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 79% | 0.786 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 1.5 | -172.5 | 27.9 | -35.7 | 0 | 0 | 0 | 114.6 | W133 | P131-W133 VanDerWaalsContact C-N 3.3Š|
| 132 | L | 38.4 | Very low | 38.7 | Very low | 163 Ų | 163 | 128 Ų | 128 | 85% | 0.853 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -5.4 | 169 | -68.3 | 166.6 | 0 | 0 | 0 | 112.3 | S130 | S130-L132 PolarHBondContact O-N 3.31Š|
| 133 | W | 32.3 | Very low | 38.1 | Very low | 149 Ų | 149 | 129.7 Ų | 129.7 | 56% | 0.564 | 68% | 0.679 | S | S | * | * | trans | -101.3 | 80.7 | 179.6 | -134.3 | 47.4 | 0 | 0 | 0 | 110.9 | L128 S130 P131 P135 | L128-W133 HydrophobicContact CB-CE3 4.37Å; L128-W133 HydrophobicContact CB-CZ3 4.05Å; L128-W133 HydrophobicContact CD2-CE3 4.2Å; L128-W133 HydrophobicContact CD2-CH2 3.32Å; L128-W133 HydrophobicContact CD2-CZ2 4.22Å; L128-W133 HydrophobicContact CD2-CZ3 3.31Å; L128-W133 HydrophobicContact CG-CZ3 4.26Å; S130-W133 WeakPolarHBondContact O-CB 3.43Å; S130-W133 PolarHBondContact O-N 2.98Å; P131-W133 VanDerWaalsContact C-N 3.3Å; W133-P135 WeakPolarHBondContact O-CD 3.48Å | ||
| 134 | H | 29.2 | Very low | 37.4 | Very low | 182 Ų | 182 | 132.8 Ų | 132.8 | 84% | 0.843 | 69% | 0.69 | S | S | * | * | trans | -97.8 | 104.8 | 161 | -79.6 | -54.3 | 0 | 0 | 0 | 109.4 | ||||
| 135 | P | 46.4 | Very low | 36.6 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 62% | 0.617 | 70% | 0.698 | S | S | * | * | trans | -87.1 | 146.4 | 170.1 | 14.7 | 1.4 | 0 | 0 | 0 | 110.8 | W133 S137 | W133-P135 WeakPolarHBondContact O-CD 3.48Å; P135-S137 PolarHBondContact O-N 3.5Å | ||
| 136 | C | 33 | Very low | 36.1 | Very low | 119 Ų | 119 | 134.5 Ų | 134.5 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | -53.7 | 124.4 | 167.4 | -58.7 | 0 | 0 | 0 | 0 | 110.3 | S138 | C136-S138 PolarHBondContact O-N 3.39Š| ||
| 137 | S | 35 | Very low | 35.7 | Very low | 121 Ų | 121 | 131 Ų | 131 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.1 | 61.3 | -170.1 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | P135 | P135-S137 PolarHBondContact O-N 3.5Š|
| 138 | S | 34.3 | Very low | 35 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.2 | -17.5 | 178.2 | -47.8 | 0 | 0 | 0 | 0 | 114.4 | C136 | C136-S138 PolarHBondContact O-N 3.39Š|
| 139 | L | 36.1 | Very low | 34 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -95.8 | 0.3 | -176.6 | -85.5 | 162.6 | 0 | 0 | 0 | 115.3 | ||
| 140 | R | 32.2 | Very low | 33.6 | Very low | 240 Ų | 240 | 135.8 Ų | 135.8 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -14.5 | -178 | -148.4 | 179.3 | -159.7 | -116 | 4.7 | 114.5 | ||
| 141 | Q | 35.2 | Very low | 33 | Very low | 179 Ų | 179 | 138 Ų | 138 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | 1 | -172.3 | -74.8 | -176.2 | -17.5 | 0 | 0 | 115.4 | ||
| 142 | H | 37.5 | Very low | 33.1 | Very low | 168 Ų | 168 | 137.4 Ų | 137.4 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -126.1 | 9.7 | -173.5 | -69.6 | -46 | 0 | 0 | 0 | 115.9 | ||
| 143 | V | 35.9 | Very low | 32.4 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 66% | 0.661 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -124.3 | -4.1 | -168.4 | -171.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 144 | L | 30.4 | Very low | 32.1 | Very low | 155 Ų | 155 | 142.4 Ų | 142.4 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -127.1 | 126.6 | 177.6 | -67.8 | 174.5 | 0 | 0 | 0 | 111.8 | ||||
| 145 | P | 27.6 | Very low | 31.9 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 137.4 | 168.7 | 31.8 | -32.1 | 0 | 0 | 0 | 110.7 | ||
| 146 | S | 30.4 | Very low | 30.9 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 142.7 | 165.5 | -71.5 | 0 | 0 | 0 | 0 | 110.3 | ||
| 147 | P | 33.4 | Very low | 30.5 | Very low | 127 Ų | 127 | 141.7 Ų | 141.7 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 146.8 | 176.1 | 31.2 | -34 | 0 | 0 | 0 | 112.4 | ||
| 148 | D | 28.6 | Very low | 30.1 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 84% | 0.84 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 155.6 | -174.2 | -56 | -76.3 | 0 | 0 | 0 | 115.1 | ||
| 149 | C | 25.2 | Very low | 29.5 | Very low | 128 Ų | 128 | 150.6 Ų | 150.6 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -165.2 | 164 | 134.1 | -106.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 150 | P | 30.4 | Very low | 29.7 | Very low | 122 Ų | 122 | 148.4 Ų | 148.4 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | trans | -97.6 | 165 | -135.2 | 37.2 | -40 | 0 | 0 | 0 | 117.4 | ||||
| 151 | A | 23.8 | Very low | 29.4 | Very low | 90 Ų | 90 | 148 Ų | 148 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -93.5 | 178.9 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 152 | P | 40.1 | Very low | 29 | Very low | 109 Ų | 109 | 147 Ų | 147 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | cis | -136 | 171.8 | -2.4 | 41.4 | -25.8 | 0 | 0 | 0 | 115.5 | ||||
| 153 | R | 24.2 | Very low | 28.5 | Very low | 241 Ų | 241 | 142 Ų | 142 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | -171.8 | 152.4 | 127.2 | -102.2 | 163.1 | -169.9 | -166.7 | 3.1 | 113 | |||||
| 154 | H | 25.4 | Very low | 28 | Very low | 177 Ų | 177 | 145 Ų | 145 | 82% | 0.819 | 80% | 0.801 | S | S | * | * | trans | -68.3 | 164.5 | 179.7 | -42.9 | -90.6 | 0 | 0 | 0 | 111.7 | ||||
| 155 | T | 25.1 | Very low | 27.8 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | cis | -139.3 | -178.2 | 12.1 | 52.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 156 | G | 24.4 | Very low | 27.7 | Very low | 69 Ų | 69 | 148.5 Ų | 148.5 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | cis | 161.5 | -176.3 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 157 | L | 26 | Very low | 27.5 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 63.9 | 109.8 | 167.4 | -81.8 | 161.5 | 0 | 0 | 0 | 121.6 | ||||
| 158 | R | 25.1 | Very low | 27.1 | Very low | 230 Ų | 230 | 146.7 Ų | 146.7 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | 84.4 | 108.6 | 126.1 | -124.7 | 178.7 | -166.9 | 172.5 | 2.9 | 122.8 | |||||
| 159 | E | 22.8 | Very low | 27.1 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -32.4 | 176.7 | 139.3 | -81.7 | -169.9 | 157.5 | 0 | 0 | 118.9 | ||||
| 160 | P | 40.3 | Very low | 27.1 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | cis | -143.3 | -154.9 | -34.5 | 39.4 | -19 | 0 | 0 | 0 | 112.9 | ||||
| 161 | R | 26.1 | Very low | 27.8 | Very low | 230 Ų | 230 | 145.1 Ų | 145.1 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | 104.9 | 158.9 | 158.2 | -61.3 | -175.1 | -173.6 | -165.9 | 0.7 | 117.7 | ||||
| 162 | L | 25.8 | Very low | 28 | Very low | 159 Ų | 159 | 148.3 Ų | 148.3 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | cis | -176.6 | 145.3 | -36.5 | -154.4 | 142.5 | 0 | 0 | 0 | 107.9 | ||||
| 163 | G | 27.3 | Very low | 27.2 | Very low | 62 Ų | 62 | 148.3 Ų | 148.3 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | trans | 145.8 | 119.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 164 | Q | 26.4 | Very low | 27.2 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | cis | 66.5 | 127.1 | 41.3 | -124.5 | -175 | -21.6 | 0 | 0 | 110.8 | ||||
| 165 | E | 26.2 | Very low | 27.2 | Very low | 160 Ų | 160 | 141.5 Ų | 141.5 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | cis | -137.3 | 154 | 19.4 | -73.2 | 164.3 | 127.6 | 0 | 0 | 110.4 | ||||
| 166 | E | 25.6 | Very low | 27.3 | Very low | 189 Ų | 189 | 142.9 Ų | 142.9 | 88% | 0.883 | 76% | 0.763 | S | S | * | * | 47.5 | 141.2 | 82.1 | -75.3 | -170.6 | 170.6 | 0 | 0 | 116.5 | |||||
| 167 | A | 25.9 | Very low | 27.4 | Very low | 78 Ų | 78 | 145.9 Ų | 145.9 | 65% | 0.645 | 76% | 0.762 | S | S | * | * | cis | -169.2 | 162.7 | -11.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 168 | S | 25.3 | Very low | 27.5 | Very low | 123 Ų | 123 | 142.7 Ų | 142.7 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | 67.5 | 162.6 | 156.5 | 83.6 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 169 | A | 26.6 | Very low | 27.7 | Very low | 95 Ų | 95 | 139.2 Ų | 139.2 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | cis | -153.1 | 168.8 | 2.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 170 | Q | 25.7 | Very low | 27.7 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | trans | -142.7 | 176.8 | 164.7 | -119.5 | -164.5 | -4.2 | 0 | 0 | 106.5 | ||||
| 171 | P | 46.1 | Very low | 27 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | cis | -131.9 | -170.2 | -28.5 | 33.6 | -13.7 | 0 | 0 | 0 | 111.9 | ||||
| 172 | Q | 27.4 | Very low | 27 | Very low | 156 Ų | 156 | 137 Ų | 137 | 73% | 0.729 | 77% | 0.766 | S | S | * | * | 150 | 144.9 | 126.6 | -82 | -163.5 | 1.7 | 0 | 0 | 116.9 | |||||
| 173 | N | 23.4 | Very low | 26.8 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 59% | 0.588 | 77% | 0.77 | S | S | * | * | trans | 111.1 | 126 | 130.6 | -81.5 | -16.2 | 0 | 0 | 0 | 125.4 | ||||
| 174 | F | 25 | Very low | 27.3 | Very low | 185 Ų | 185 | 142.7 Ų | 142.7 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 77.1 | 163.7 | 144.5 | -66.5 | -54.2 | 0 | 0 | 0 | 123.7 | ||||
| 175 | S | 24.3 | Very low | 27.3 | Very low | 89 Ų | 89 | 143.2 Ų | 143.2 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | trans | -138.4 | 170.2 | -141.8 | 58.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 176 | H | 27.6 | Very low | 27.2 | Very low | 176 Ų | 176 | 143 Ų | 143 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | trans | 166.2 | 156.7 | 151.7 | -88.3 | -47.9 | 0 | 0 | 0 | 109 | ||||
| 177 | N | 27.6 | Very low | 27.7 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | cis | -166.5 | 173.8 | -28.1 | -154.3 | -0.8 | 0 | 0 | 0 | 109.2 | ||||
| 178 | S | 27.9 | Very low | 27.8 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 68% | 0.678 | 78% | 0.78 | S | S | * | * | trans | 71.7 | 157.6 | 160 | -64.5 | 0 | 0 | 0 | 0 | 120 | ||||
| 179 | L | 27.5 | Very low | 27.9 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | cis | 173 | 122.8 | -37.8 | -111.3 | 166.1 | 0 | 0 | 0 | 108.4 | ||||
| 180 | R | 23.5 | Very low | 27.9 | Very low | 251 Ų | 251 | 147.5 Ų | 147.5 | 95% | 0.947 | 78% | 0.778 | S | S | * | * | trans | -167.8 | 148.7 | 141.3 | -136.5 | 168.2 | -175.7 | 150.4 | 2.9 | 112.8 | ||||
| 181 | A | 26 | Very low | 27.9 | Very low | 97 Ų | 97 | 144 Ų | 144 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | -128.6 | 153.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 182 | A | 25.4 | Very low | 26.9 | Very low | 107 Ų | 107 | 146 Ų | 146 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | trans | -171.2 | 144 | 145.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 183 | R | 23.1 | Very low | 26.7 | Very low | 241 Ų | 241 | 141.8 Ų | 141.8 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | -135.5 | 173.5 | 162.7 | -122.7 | -170.6 | 176.9 | 179.3 | -1.3 | 104.5 | ||||
| 184 | P | 37.6 | Very low | 26.8 | Very low | 100 Ų | 100 | 144.1 Ų | 144.1 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | cis | -144.2 | -164.4 | 15.6 | 39.9 | -17.1 | 0 | 0 | 0 | 116.2 | ||||
| 185 | Q | 25.1 | Very low | 26.7 | Very low | 183 Ų | 183 | 140.1 Ų | 140.1 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | 91.9 | 130.5 | 152.2 | -76.5 | 173.9 | -12.2 | 0 | 0 | 121.7 | ||||
| 186 | D | 25.7 | Very low | 26.8 | Very low | 156 Ų | 156 | 143.6 Ų | 143.6 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -88.7 | 167.8 | 166 | -52.7 | -66.1 | 0 | 0 | 0 | 111.2 | ||||
| 187 | P | 35.8 | Very low | 26.6 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | -145.3 | -177.4 | 97.6 | 36.7 | -18.9 | 0 | 0 | 0 | 116.3 | |||||
| 188 | S | 26.8 | Very low | 26.3 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | -73.7 | 176.2 | -177.3 | 49.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 189 | E | 28.3 | Very low | 27 | Very low | 169 Ų | 169 | 138 Ų | 138 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | cis | -154.5 | -173.7 | 33.4 | -65.6 | -177.3 | 124.8 | 0 | 0 | 114.7 | ||||
| 190 | E | 26.1 | Very low | 26.9 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | 79.6 | 143.1 | 158.3 | -62.2 | -146.6 | 138.8 | 0 | 0 | 120.3 | ||||
| 191 | V | 25.7 | Very low | 26.9 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | cis | -159.5 | 145.6 | 4.8 | 113.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 192 | V | 26 | Very low | 26.7 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | 54.7 | 134.4 | 152.5 | 178.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 193 | G | 23.2 | Very low | 26.6 | Very low | 66 Ų | 66 | 132.2 Ų | 132.2 | 68% | 0.68 | 78% | 0.775 | S | S | * | * | trans | 163.2 | 76.2 | 147.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 194 | L | 24.3 | Very low | 26.6 | Very low | 160 Ų | 160 | 130.1 Ų | 130.1 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | 56 | 115.9 | 148.5 | -57.5 | 172.3 | 0 | 0 | 0 | 121.8 | ||||
| 195 | S | 23.9 | Very low | 25.9 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | 74.5 | 143.9 | 94.4 | -55.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 196 | L | 25.3 | Very low | 25.9 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | cis | -143.8 | 142.1 | 18.4 | -90.9 | 103.4 | 0 | 0 | 0 | 110.6 | ||||
| 197 | A | 24.5 | Very low | 25.9 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | 81.4 | 143.8 | 91.7 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 198 | G | 20.4 | Very low | 25.5 | Very low | 69 Ų | 69 | 129.9 Ų | 129.9 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -136.4 | -158.1 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 199 | P | 43.4 | Very low | 25.4 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | cis | -136.3 | -167.5 | -7.2 | 39.2 | -18.7 | 0 | 0 | 0 | 114.4 | ||||
| 200 | S | 24.6 | Very low | 25.3 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | 68.8 | 125.1 | 145.6 | 61.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 201 | D | 22.9 | Very low | 25.3 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 70% | 0.695 | 79% | 0.789 | S | S | * | * | 120.7 | 141 | 113 | -110.6 | -6.6 | 0 | 0 | 0 | 122.2 | |||||
| 202 | F | 23.6 | Very low | 25.3 | Very low | 197 Ų | 197 | 129.7 Ų | 129.7 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 60.4 | 154 | 173.8 | -56.8 | -77 | 0 | 0 | 0 | 119 | ||||
| 203 | G | 22.1 | Very low | 25.4 | Very low | 68 Ų | 68 | 128.2 Ų | 128.2 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | -175.8 | 168 | -1.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 204 | F | 22.8 | Very low | 25.6 | Very low | 196 Ų | 196 | 135.3 Ų | 135.3 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -55.4 | 152.4 | -174.1 | -75.3 | -111.6 | 0 | 0 | 0 | 117.7 | ||||
| 205 | L | 24.5 | Very low | 25.8 | Very low | 162 Ų | 162 | 132.3 Ų | 132.3 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | 176.2 | 165.9 | 102.6 | -93.7 | 178.5 | 0 | 0 | 0 | 116.5 | |||||
| 206 | H | 24.8 | Very low | 26 | Very low | 178 Ų | 178 | 136 Ų | 136 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | -85.3 | 151.6 | -178.8 | -80.3 | -112.1 | 0 | 0 | 0 | 115.2 | ||||
| 207 | A | 24.2 | Very low | 26.3 | Very low | 93 Ų | 93 | 134.7 Ų | 134.7 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 172.5 | 123.6 | 131.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 208 | S | 27.8 | Very low | 26.5 | Very low | 130 Ų | 130 | 133.3 Ų | 133.3 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | 59.3 | 108.3 | 70.2 | -166.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 209 | G | 24.9 | Very low | 26.9 | Very low | 78 Ų | 78 | 139 Ų | 139 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | 178 | 88 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 210 | S | 27.1 | Very low | 26.5 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | trans | -86.8 | 127.9 | 172.5 | 53 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 211 | I | 25.7 | Very low | 26.8 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 90% | 0.897 | 81% | 0.811 | S | S | * | * | trans | -135.3 | 142.1 | 162 | -65.4 | -173.1 | 0 | 0 | 0 | 110.5 | ||||
| 212 | E | 25.3 | Very low | 27.2 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | trans | -87.8 | 174.9 | -169.8 | -151.5 | 170.2 | -170.1 | 0 | 0 | 113.5 | ||||
| 213 | S | 29.1 | Very low | 27.9 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -67.3 | 150.7 | -168.2 | 64.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 214 | K | 27.6 | Very low | 28.7 | Very low | 215 Ų | 215 | 136.9 Ų | 136.9 | 94% | 0.935 | 80% | 0.795 | S | S | * | * | trans | -151.7 | 162.3 | 145 | -120.1 | 169.7 | -174.8 | 174.6 | 0 | 112.5 | ||||
| 215 | A | 27.1 | Very low | 29.4 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | -91.2 | 167.2 | -150.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 216 | K | 29.2 | Very low | 30.3 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | trans | -52.2 | 157.9 | 176.3 | -124.1 | 174.9 | -179 | 175.8 | 0 | 114.3 | A218 | K216-A218 HydrophobicContact CD-CB 4.22Š| ||
| 217 | P | 31 | Very low | 31.1 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 87% | 0.87 | 78% | 0.781 | S | S | * | * | -127.2 | 173.8 | 93.8 | 35.4 | -27.2 | 0 | 0 | 0 | 113.7 | |||||
| 218 | A | 29.5 | Very low | 32.1 | Very low | 70 Ų | 70 | 136.5 Ų | 136.5 | 58% | 0.579 | 77% | 0.773 | S | S | * | * | trans | -119.8 | 149 | -157.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K216 | K216-A218 HydrophobicContact CD-CB 4.22Š| ||
| 219 | Q | 28.4 | Very low | 33.1 | Very low | 188 Ų | 188 | 135.3 Ų | 135.3 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | trans | 179.3 | 164.4 | 139.2 | -102.9 | -174.6 | 15.8 | 0 | 0 | 109.4 | ||||
| 220 | P | 33.7 | Very low | 34.4 | Very low | 115 Ų | 115 | 138.2 Ų | 138.2 | 75% | 0.747 | 75% | 0.747 | S | S | * | * | -111.4 | 167.1 | -58.6 | 21.7 | -2.2 | 0 | 0 | 0 | 111.8 | |||||
| 221 | Q | 30.8 | Very low | 35.9 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 81% | 0.813 | 73% | 0.729 | S | S | * | * | trans | -72 | 147.1 | 178.9 | -71 | -178.1 | -30.6 | 0 | 0 | 113.5 | ||||
| 222 | P | 32.8 | Very low | 37.5 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | trans | -91.5 | 113 | 136.5 | 32.4 | -24.1 | 0 | 0 | 0 | 110.1 | G224 | P222-G224 PolarHBondContact O-N 3.03Å; P222-G224 VanDerWaalsContact O-N 3.13Å | ||
| 223 | T | 37.5 | Very low | 39.1 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 76% | 0.761 | 69% | 0.688 | S | S | * | * | trans | 24.4 | 73.9 | 152.1 | 44 | 0 | 0 | 0 | 0 | 118.5 | E225 | T223-E225 PolarHBondContact O-N 2.88Å; T223-E225 VanDerWaalsContact O-N 3.12Å | ||
| 224 | G | 38.4 | Very low | 40.5 | Very low | 40 Ų | 40 | 126.6 Ų | 126.6 | 41% | 0.412 | 68% | 0.676 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.6 | 6.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | P222 K226 | P222-G224 PolarHBondContact O-N 3.03Å; P222-G224 VanDerWaalsContact O-N 3.13Å; G224-K226 VanDerWaalsContact C-N 3.31Å; G224-K226 PolarHBondContact O-N 3.46Å |
| 225 | E | 38.9 | Very low | 42.9 | Very low | 169 Ų | 169 | 119.5 Ų | 119.5 | 79% | 0.79 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -72 | -21 | -173.1 | -64.3 | -175.2 | 151.2 | 0 | 0 | 113.7 | T223 | T223-E225 PolarHBondContact O-N 2.88Å; T223-E225 VanDerWaalsContact O-N 3.12Å |
| 226 | K | 43.2 | Very low | 45.6 | Very low | 165 Ų | 165 | 120.2 Ų | 120.2 | 72% | 0.717 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -85.1 | -18.9 | -177 | -74.1 | -174.6 | 177.4 | 177.7 | 0 | 115.6 | G224 K230 | G224-K226 VanDerWaalsContact C-N 3.31Å; G224-K226 PolarHBondContact O-N 3.46Å; K226-K230 WeakPolarHBondContact O-CB 3.49Å; K226-K230 WeakPolarHBondContact O-CD 3.37Å; K226-K230 WeakPolarHBondContact O-CG 3.21Å; K226-K230 PolarHBondContact O-N 2.89Å |
| 227 | E | 41.2 | Very low | 48.3 | Very low | 157 Ų | 157 | 117.4 Ų | 117.4 | 73% | 0.734 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -85.6 | -37.9 | 179 | -73.8 | -170.8 | 135.8 | 0 | 0 | 112.6 | D229 K230 S231 | E227-D229 VanDerWaalsContact C-N 3.32Å; E227-D229 PolarHBondContact O-N 3.4Å; E227-K230 PolarHBondContact O-N 2.95Å; E227-S231 PolarHBondContact O-N 2.94Å; E227-S231 PolarHBondContact O-OG 3Å |
| 228 | Q | 45.7 | Very low | 51.1 | Low | 129 Ų | 129 | 117 Ų | 117 | 60% | 0.603 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.3 | -25.7 | -178.3 | -154.6 | 168.9 | 27.1 | 0 | 0 | 112.8 | S231 K232 | Q228-S231 WeakPolarHBondContact CA-OG 3.05Å; Q228-S231 PolarHBondContact O-OG 3.26Å; Q228-K232 WeakPolarHBondContact O-CD 3.31Å; Q228-K232 VanDerWaalsContact O-CG 3.24Å; Q228-K232 WeakPolarHBondContact O-CG 3.31Å; Q228-K232 PolarHBondContact O-N 3.44Å |
| 229 | D | 47.7 | Very low | 53.7 | Low | 106 Ų | 106 | 115.4 Ų | 115.4 | 57% | 0.567 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -78.9 | -41.2 | 172.5 | -127 | 23 | 0 | 0 | 0 | 111.7 | E227 S231 K232 T233 | E227-D229 VanDerWaalsContact C-N 3.32Å; E227-D229 PolarHBondContact O-N 3.4Å; D229-S231 PolarHBondContact O-N 2.94Å; D229-K232 PolarHBondContact O-N 3.05Å; D229-T233 PolarHBondContact O-N 3.42Å; D229-T233 PolarHBondContact O-OG1 2.82Å |
| 230 | K | 52.9 | Low | 56.7 | Low | 139 Ų | 139 | 109.6 Ų | 109.6 | 60% | 0.604 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.7 | -45.2 | 173.6 | -80.2 | 178.4 | 180 | -174.7 | 0 | 113.1 | K226 E227 K232 T233 L234 | K226-K230 WeakPolarHBondContact O-CB 3.49Å; K226-K230 WeakPolarHBondContact O-CD 3.37Å; K226-K230 WeakPolarHBondContact O-CG 3.21Å; K226-K230 PolarHBondContact O-N 2.89Å; E227-K230 PolarHBondContact O-N 2.95Å; K230-K232 VanDerWaalsContact C-N 3.31Å; K230-K232 PolarHBondContact O-N 2.99Å; K230-T233 WeakPolarHBondContact CA-OG1 3.23Å; K230-T233 PolarHBondContact O-N 3.31Å; K230-T233 PolarHBondContact O-OG1 3.08Å; K230-T233 VanDerWaalsContact O-OG1 3.1Å; K230-L234 WeakPolarHBondContact O-CB 3.46Å; K230-L234 VanDerWaalsContact O-CG 3.23Å; K230-L234 WeakPolarHBondContact O-CG 3.41Å; K230-L234 PolarHBondContact O-N 3.32Å |
| 231 | S | 58.4 | Low | 59.4 | Low | 66 Ų | 66 | 107.2 Ų | 107.2 | 46% | 0.462 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.4 | -35.3 | 177.4 | 46.5 | 0 | 0 | 0 | 0 | 112.3 | E227 Q228 D229 S235 | E227-S231 PolarHBondContact O-N 2.94Å; E227-S231 PolarHBondContact O-OG 3Å; Q228-S231 WeakPolarHBondContact CA-OG 3.05Å; Q228-S231 PolarHBondContact O-OG 3.26Å; D229-S231 PolarHBondContact O-N 2.94Å; S231-S235 PolarHBondContact O-N 2.97Å |
| 232 | K | 58.2 | Low | 62.1 | Low | 117 Ų | 117 | 101.7 Ų | 101.7 | 51% | 0.509 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.9 | -43.1 | 173.1 | -73 | 170.4 | -172 | 165.9 | 0 | 112.6 | Q228 D229 K230 S235 L236 | Q228-K232 WeakPolarHBondContact O-CD 3.31Å; Q228-K232 VanDerWaalsContact O-CG 3.24Å; Q228-K232 WeakPolarHBondContact O-CG 3.31Å; Q228-K232 PolarHBondContact O-N 3.44Å; D229-K232 PolarHBondContact O-N 3.05Å; K230-K232 VanDerWaalsContact C-N 3.31Å; K230-K232 PolarHBondContact O-N 2.99Å; K232-S235 PolarHBondContact O-N 3.5Å; K232-S235 PolarHBondContact O-OG 3.34Å; K232-L236 PolarHBondContact O-N 3.29Å |
| 233 | T | 59.4 | Low | 64.8 | Low | 63 Ų | 63 | 101.2 Ų | 101.2 | 39% | 0.387 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -41.4 | 177.7 | 49.8 | 0 | 0 | 0 | 0 | 111.8 | D229 K230 S235 L236 E237 | D229-T233 PolarHBondContact O-N 3.42Å; D229-T233 PolarHBondContact O-OG1 2.82Å; K230-T233 WeakPolarHBondContact CA-OG1 3.23Å; K230-T233 PolarHBondContact O-N 3.31Å; K230-T233 PolarHBondContact O-OG1 3.08Å; K230-T233 VanDerWaalsContact O-OG1 3.1Å; T233-S235 VanDerWaalsContact C-N 3.35Å; T233-S235 PolarHBondContact O-N 3.02Å; T233-L236 WeakPolarHBondContact O-CB 3.38Å; T233-L236 PolarHBondContact O-N 3.36Å; T233-E237 WeakPolarHBondContact O-CG 3.43Å; T233-E237 PolarHBondContact O-N 3.04Å |
| 234 | L | 59 | Low | 67.3 | Low | 98 Ų | 98 | 100.5 Ų | 100.5 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.8 | -46.8 | 172.6 | -71.4 | 168.2 | 0 | 0 | 0 | 111.4 | K230 L236 E237 E238 | K230-L234 WeakPolarHBondContact O-CB 3.46Å; K230-L234 VanDerWaalsContact O-CG 3.23Å; K230-L234 WeakPolarHBondContact O-CG 3.41Å; K230-L234 PolarHBondContact O-N 3.32Å; L234-L236 PolarHBondContact O-N 3.06Å; L234-E237 PolarHBondContact O-N 3.23Å; L234-E238 WeakPolarHBondContact O-CB 3.44Å; L234-E238 WeakPolarHBondContact O-CG 3.44Å; L234-E238 PolarHBondContact O-N 2.9Å |
| 235 | S | 76.9 | Confident | 69.7 | Low | 66 Ų | 66 | 105.1 Ų | 105.1 | 46% | 0.462 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -27.2 | 176.5 | 76.4 | 0 | 0 | 0 | 0 | 114.1 | S231 K232 T233 A239 | S231-S235 PolarHBondContact O-N 2.97Å; K232-S235 PolarHBondContact O-N 3.5Å; K232-S235 PolarHBondContact O-OG 3.34Å; T233-S235 VanDerWaalsContact C-N 3.35Å; T233-S235 PolarHBondContact O-N 3.02Å; S235-A239 WeakPolarHBondContact O-CB 3.3Å; S235-A239 PolarHBondContact O-N 3.03Å; S235-A239 VanDerWaalsContact O-N 3.17Å |
| 236 | L | 84.8 | Confident | 72.1 | Confident | 111 Ų | 111 | 102.2 Ų | 102.2 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -79.6 | -38.8 | 176.6 | -175.4 | 63.6 | 0 | 0 | 0 | 111.4 | K232 T233 L234 A239 V240 | K232-L236 PolarHBondContact O-N 3.29Å; T233-L236 WeakPolarHBondContact O-CB 3.38Å; T233-L236 PolarHBondContact O-N 3.36Å; L234-L236 PolarHBondContact O-N 3.06Å; L236-A239 PolarHBondContact O-N 3.09Å; L236-V240 WeakPolarHBondContact O-CB 3.39Å; L236-V240 VanDerWaalsContact O-CG2 3.29Å; L236-V240 WeakPolarHBondContact O-CG2 3.45Å; L236-V240 PolarHBondContact O-N 3.05Å |
| 237 | E | 86.1 | Confident | 74.3 | Confident | 119 Ų | 119 | 100.1 Ų | 100.1 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.9 | -41.5 | 174.7 | -71.9 | 171.1 | -165.1 | 0 | 0 | 111.3 | T233 L234 A239 V240 T241 | T233-E237 WeakPolarHBondContact O-CG 3.43Å; T233-E237 PolarHBondContact O-N 3.04Å; L234-E237 PolarHBondContact O-N 3.23Å; E237-A239 VanDerWaalsContact C-N 3.34Å; E237-A239 PolarHBondContact O-N 3.33Å; E237-V240 PolarHBondContact O-N 2.83Å; E237-T241 WeakPolarHBondContact O-CB 3.29Å; E237-T241 WeakPolarHBondContact O-CG2 3.36Å; E237-T241 PolarHBondContact O-N 3.48Å; E237-T241 PolarHBondContact O-OG1 3.14Å |
| 238 | E | 88.7 | Confident | 76.5 | Confident | 127 Ų | 127 | 96 Ų | 96 | 59% | 0.593 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.8 | -41.7 | 170.2 | -73.7 | 173.8 | -179.2 | 0 | 0 | 112 | L234 T241 S242 | L234-E238 WeakPolarHBondContact O-CB 3.44Å; L234-E238 WeakPolarHBondContact O-CG 3.44Å; L234-E238 PolarHBondContact O-N 2.9Å; E238-T241 WeakPolarHBondContact CA-OG1 3.02Å; E238-T241 PolarHBondContact O-OG1 3.06Å; E238-S242 VanDerWaalsContact O-CB 3.27Å; E238-S242 WeakPolarHBondContact O-CB 3.44Å; E238-S242 PolarHBondContact O-N 3.33Å; E238-S242 PolarHBondContact O-OG 3.31Å |
| 239 | A | 85.8 | Confident | 78.7 | Confident | 35 Ų | 35 | 94.2 Ų | 94.2 | 29% | 0.289 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.4 | -46.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | S235 L236 E237 S242 F243 | S235-A239 WeakPolarHBondContact O-CB 3.3Å; S235-A239 PolarHBondContact O-N 3.03Å; S235-A239 VanDerWaalsContact O-N 3.17Å; L236-A239 PolarHBondContact O-N 3.09Å; E237-A239 VanDerWaalsContact C-N 3.34Å; E237-A239 PolarHBondContact O-N 3.33Å; A239-S242 WeakPolarHBondContact O-CB 3.43Å; A239-S242 PolarHBondContact O-N 3.27Å; A239-F243 HydrophobicContact CB-CE2 4.44Å; A239-F243 WeakPolarHBondContact O-CD2 3.3Å; A239-F243 PolarHBondContact O-N 3.04Å |
| 240 | V | 90.1 | Very high | 80.8 | Confident | 67 Ų | 67 | 91.1 Ų | 91.1 | 41% | 0.406 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 179.2 | 168.3 | 0 | 0 | 0 | 0 | 111.3 | L236 E237 F243 Q244 | L236-V240 WeakPolarHBondContact O-CB 3.39Å; L236-V240 VanDerWaalsContact O-CG2 3.29Å; L236-V240 WeakPolarHBondContact O-CG2 3.45Å; L236-V240 PolarHBondContact O-N 3.05Å; E237-V240 PolarHBondContact O-N 2.83Å; V240-F243 PolarHBondContact O-N 2.95Å; V240-Q244 WeakPolarHBondContact O-CB 3.36Å; V240-Q244 PolarHBondContact O-N 3.26Å |
| 241 | T | 90.5 | Very high | 82.8 | Confident | 65 Ų | 65 | 85.9 Ų | 85.9 | 40% | 0.399 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 175.9 | 50.8 | 0 | 0 | 0 | 0 | 111.9 | E237 E238 Q244 Q245 | E237-T241 WeakPolarHBondContact O-CB 3.29Å; E237-T241 WeakPolarHBondContact O-CG2 3.36Å; E237-T241 PolarHBondContact O-N 3.48Å; E237-T241 PolarHBondContact O-OG1 3.14Å; E238-T241 WeakPolarHBondContact CA-OG1 3.02Å; E238-T241 PolarHBondContact O-OG1 3.06Å; T241-Q244 PolarHBondContact O-N 2.69Å; T241-Q245 VanDerWaalsContact O-CG 3.31Å; T241-Q245 WeakPolarHBondContact O-CG 3.37Å; T241-Q245 PolarHBondContact O-N 3.04Å |
| 242 | S | 88.3 | Confident | 84.5 | Confident | 58 Ų | 58 | 82.8 Ų | 82.8 | 41% | 0.406 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 172.6 | -61.5 | 0 | 0 | 0 | 0 | 112.4 | E238 A239 Q244 Q245 I246 | E238-S242 VanDerWaalsContact O-CB 3.27Å; E238-S242 WeakPolarHBondContact O-CB 3.44Å; E238-S242 PolarHBondContact O-N 3.33Å; E238-S242 PolarHBondContact O-OG 3.31Å; A239-S242 WeakPolarHBondContact O-CB 3.43Å; A239-S242 PolarHBondContact O-N 3.27Å; S242-Q244 VanDerWaalsContact C-N 3.35Å; S242-Q244 PolarHBondContact O-N 2.99Å; S242-Q245 PolarHBondContact O-N 3.49Å; S242-I246 VanDerWaalsContact O-CG1 3.31Å; S242-I246 WeakPolarHBondContact O-CG1 3.47Å; S242-I246 PolarHBondContact O-N 3.23Å |
| 243 | F | 88.6 | Confident | 86.3 | Confident | 104 Ų | 104 | 81 Ų | 81 | 46% | 0.456 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 174.8 | -75.7 | -61.4 | 0 | 0 | 0 | 112.1 | A239 V240 I246 F247 | A239-F243 HydrophobicContact CB-CE2 4.44Å; A239-F243 WeakPolarHBondContact O-CD2 3.3Å; A239-F243 PolarHBondContact O-N 3.04Å; V240-F243 PolarHBondContact O-N 2.95Å; F243-I246 PolarHBondContact O-N 2.82Å; F243-F247 PolarHBondContact O-N 3.45Å |
| 244 | Q | 90.9 | Very high | 88 | Confident | 110 Ų | 110 | 78.6 Ų | 78.6 | 51% | 0.514 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.8 | -42.8 | 176.4 | -171.2 | 176.2 | 0.4 | 0 | 0 | 111.5 | V240 T241 S242 F247 Q248 | V240-Q244 WeakPolarHBondContact O-CB 3.36Å; V240-Q244 PolarHBondContact O-N 3.26Å; T241-Q244 PolarHBondContact O-N 2.69Å; S242-Q244 VanDerWaalsContact C-N 3.35Å; S242-Q244 PolarHBondContact O-N 2.99Å; Q244-F247 PolarHBondContact O-N 3.36Å; Q244-Q248 VanDerWaalsContact O-CG 3.3Å; Q244-Q248 WeakPolarHBondContact O-CG 3.39Å; Q244-Q248 PolarHBondContact O-N 2.82Å |
| 245 | Q | 88 | Confident | 89.8 | Confident | 136 Ų | 136 | 76 Ų | 76 | 64% | 0.636 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62 | -44.3 | 174.9 | -71.8 | 172 | 11.6 | 0 | 0 | 112.2 | T241 S242 F247 Q248 L249 | T241-Q245 VanDerWaalsContact O-CG 3.31Å; T241-Q245 WeakPolarHBondContact O-CG 3.37Å; T241-Q245 PolarHBondContact O-N 3.04Å; S242-Q245 PolarHBondContact O-N 3.49Å; Q245-F247 VanDerWaalsContact C-N 3.31Å; Q245-F247 PolarHBondContact O-N 3.07Å; Q245-Q248 PolarHBondContact O-N 2.92Å; Q245-L249 WeakPolarHBondContact O-CB 3.46Å; Q245-L249 PolarHBondContact O-N 3.2Å |
| 246 | I | 89 | Confident | 90.7 | Very high | 109 Ų | 109 | 73.3 Ų | 73.3 | 56% | 0.559 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61 | -40.7 | 176.5 | -68.7 | 164.6 | 0 | 0 | 0 | 111.1 | S242 F243 L249 S250 | S242-I246 VanDerWaalsContact O-CG1 3.31Å; S242-I246 WeakPolarHBondContact O-CG1 3.47Å; S242-I246 PolarHBondContact O-N 3.23Å; F243-I246 PolarHBondContact O-N 2.82Å; I246-L249 PolarHBondContact O-N 3.2Å; I246-S250 PolarHBondContact O-N 3.24Å |
| 247 | F | 89.4 | Confident | 91.3 | Very high | 120 Ų | 120 | 72.3 Ų | 72.3 | 53% | 0.526 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 176.7 | -175.6 | -93.4 | 0 | 0 | 0 | 112.4 | F243 Q244 Q245 L249 S250 V251 | F243-F247 PolarHBondContact O-N 3.45Å; Q244-F247 PolarHBondContact O-N 3.36Å; Q245-F247 VanDerWaalsContact C-N 3.31Å; Q245-F247 PolarHBondContact O-N 3.07Å; F247-L249 VanDerWaalsContact C-N 3.29Å; F247-L249 PolarHBondContact O-N 2.88Å; F247-S250 PolarHBondContact O-N 3.46Å; F247-S250 PolarHBondContact O-OG 2.92Å; F247-V251 HydrophobicContact CD1-CG2 4.15Å; F247-V251 HydrophobicContact CE1-CG2 3.74Å; F247-V251 HydrophobicContact CZ-CG2 3.97Å; F247-V251 WeakPolarHBondContact O-CG2 3.43Å; F247-V251 PolarHBondContact O-N 3.27Å |
| 248 | Q | 88.9 | Confident | 91.8 | Very high | 72 Ų | 72 | 68.1 Ų | 68.1 | 34% | 0.336 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 175.5 | -67.7 | -65.2 | -28.4 | 0 | 0 | 111.6 | Q244 Q245 S252 H281 | Q244-Q248 VanDerWaalsContact O-CG 3.3Å; Q244-Q248 WeakPolarHBondContact O-CG 3.39Å; Q244-Q248 PolarHBondContact O-N 2.82Å; Q245-Q248 PolarHBondContact O-N 2.92Å; Q248-S252 WeakPolarHBondContact O-CB 3.35Å; Q248-S252 PolarHBondContact O-N 3.29Å; Q248-S252 PolarHBondContact O-OG 3.3Å; Q248-H281 PolarHBondContact OE1-CE1 3.46Å; Q248-H281 PolarHBondContact OE1-ND1 3.29Å |
| 249 | L | 91.2 | Very high | 92.2 | Very high | 91 Ų | 91 | 62 Ų | 62 | 48% | 0.476 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 175.1 | -177.5 | 62.8 | 0 | 0 | 0 | 112.2 | Q245 I246 F247 S252 I253 Y283 | Q245-L249 WeakPolarHBondContact O-CB 3.46Å; Q245-L249 PolarHBondContact O-N 3.2Å; I246-L249 PolarHBondContact O-N 3.2Å; F247-L249 VanDerWaalsContact C-N 3.29Å; F247-L249 PolarHBondContact O-N 2.88Å; L249-S252 WeakPolarHBondContact O-CB 3.35Å; L249-S252 PolarHBondContact O-N 3.03Å; L249-I253 HydrophobicContact CD1-CD1 4.32Å; L249-I253 HydrophobicContact CG-CD1 4.01Å; L249-I253 VanDerWaalsContact O-CG1 3.3Å; L249-I253 WeakPolarHBondContact O-CG1 3.38Å; L249-I253 PolarHBondContact O-N 3.28Å; L249-Y283 HydrophobicContact CD1-CD2 4.02Å; L249-Y283 HydrophobicContact CD1-CE2 4.39Å |
| 250 | S | 91.9 | Very high | 92.7 | Very high | 41 Ų | 41 | 61.4 Ų | 61.4 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | -179.9 | 71.2 | 0 | 0 | 0 | 0 | 112.5 | I246 F247 S252 I253 A254 | I246-S250 PolarHBondContact O-N 3.24Å; F247-S250 PolarHBondContact O-N 3.46Å; F247-S250 PolarHBondContact O-OG 2.92Å; S250-S252 VanDerWaalsContact C-N 3.32Å; S250-S252 PolarHBondContact O-N 3.23Å; S250-I253 PolarHBondContact O-N 3.06Å; S250-A254 PolarHBondContact O-N 2.81Å |
| 251 | V | 93.9 | Very high | 92.9 | Very high | 28 Ų | 28 | 61.5 Ų | 61.5 | 17% | 0.17 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 171.1 | 170.5 | 0 | 0 | 0 | 0 | 111 | F247 I253 A254 F255 | F247-V251 HydrophobicContact CD1-CG2 4.15Å; F247-V251 HydrophobicContact CE1-CG2 3.74Å; F247-V251 HydrophobicContact CZ-CG2 3.97Å; F247-V251 WeakPolarHBondContact O-CG2 3.43Å; F247-V251 PolarHBondContact O-N 3.27Å; V251-I253 PolarHBondContact O-N 3.45Å; V251-A254 PolarHBondContact O-N 3.14Å; V251-F255 HydrophobicContact CG1-CD2 3.83Å; V251-F255 HydrophobicContact CG1-CE2 3.45Å; V251-F255 VanDerWaalsContact CG1-CE2 3.45Å; V251-F255 HydrophobicContact CG1-CZ 4.04Å; V251-F255 PolarHBondContact O-N 3.47Å |
| 252 | S | 95.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.007 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.1 | -40 | 178 | -55.2 | 0 | 0 | 0 | 0 | 113.1 | Q248 L249 S250 N256 A278 H281 | Q248-S252 WeakPolarHBondContact O-CB 3.35Å; Q248-S252 PolarHBondContact O-N 3.29Å; Q248-S252 PolarHBondContact O-OG 3.3Å; L249-S252 WeakPolarHBondContact O-CB 3.35Å; L249-S252 PolarHBondContact O-N 3.03Å; S250-S252 VanDerWaalsContact C-N 3.32Å; S250-S252 PolarHBondContact O-N 3.23Å; S252-N256 WeakPolarHBondContact O-CB 3.5Å; S252-N256 PolarHBondContact O-N 2.98Å; S252-A278 VanDerWaalsContact O-CB 3.26Å; S252-A278 WeakPolarHBondContact O-CB 3.26Å; S252-H281 WeakPolarHBondContact OG-CB 3.3Å |
| 253 | I | 94.4 | Very high | 93.6 | Very high | 79 Ų | 79 | 58 Ų | 58 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 174.9 | -69.8 | 163.7 | 0 | 0 | 0 | 110.3 | L249 S250 V251 N256 F257 Y283 | L249-I253 HydrophobicContact CD1-CD1 4.32Å; L249-I253 HydrophobicContact CG-CD1 4.01Å; L249-I253 VanDerWaalsContact O-CG1 3.3Å; L249-I253 WeakPolarHBondContact O-CG1 3.38Å; L249-I253 PolarHBondContact O-N 3.28Å; S250-I253 PolarHBondContact O-N 3.06Å; V251-I253 PolarHBondContact O-N 3.45Å; I253-N256 PolarHBondContact O-N 3.08Å; I253-F257 PolarHBondContact O-N 3.43Å; I253-Y283 HydrophobicContact CG1-CE1 4.17Å; I253-Y283 HydrophobicContact CG1-CE2 3.99Å |
| 254 | A | 95.2 | Very high | 93.8 | Very high | 13 Ų | 13 | 59.2 Ų | 59.2 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.1 | -43.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | W83 S250 V251 F257 L258 | W83-A254 HydrophobicContact CH2-CB 3.34Å; W83-A254 HydrophobicContact CZ2-CB 4.01Å; W83-A254 HydrophobicContact CZ3-CB 3.7Å; S250-A254 PolarHBondContact O-N 2.81Å; V251-A254 PolarHBondContact O-N 3.14Å; A254-F257 WeakPolarHBondContact O-CB 3.16Å; A254-F257 PolarHBondContact O-N 3.12Å; A254-L258 PolarHBondContact O-N 3.39Å |
| 255 | F | 97.4 | Very high | 94 | Very high | 44 Ų | 44 | 58.3 Ų | 58.3 | 19% | 0.193 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 170.7 | -75.7 | -34 | 0 | 0 | 0 | 111.8 | V251 F257 L258 G259 Y274 K277 A278 | V251-F255 HydrophobicContact CG1-CD2 3.83Å; V251-F255 HydrophobicContact CG1-CE2 3.45Å; V251-F255 VanDerWaalsContact CG1-CE2 3.45Å; V251-F255 HydrophobicContact CG1-CZ 4.04Å; V251-F255 PolarHBondContact O-N 3.47Å; F255-F257 VanDerWaalsContact C-N 3.3Å; F255-F257 PolarHBondContact O-N 3.27Å; F255-L258 PolarHBondContact O-N 3.03Å; F255-G259 PolarHBondContact O-N 2.95Å; F255-Y274 AromaticContact CD1-CD1 3.83Å; F255-Y274 HydrophobicContact CD1-CD1 3.83Å; F255-Y274 HydrophobicContact CD1-CE1 4.25Å; F255-Y274 HydrophobicContact CE1-CD1 4.47Å; F255-Y274 WeakPolarHBondContact O-CB 3.26Å; F255-K277 HydrophobicContact CD2-CB 3.8Å; F255-K277 HydrophobicContact CE1-CD 4.36Å; F255-K277 HydrophobicContact CE2-CB 4.02Å; F255-K277 HydrophobicContact CG-CB 4.18Å; F255-K277 HydrophobicContact CZ-CD 4.37Å; F255-A278 HydrophobicContact CB-CB 3.83Å |
| 256 | N | 96.9 | Very high | 94.3 | Very high | 9 Ų | 9 | 53.5 Ų | 53.5 | 5% | 0.048 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.3 | -38.2 | 175.8 | 179.9 | 83.8 | 0 | 0 | 0 | 112.4 | S252 I253 G259 T260 F275 A278 Y283 A286 N289 | S252-N256 WeakPolarHBondContact O-CB 3.5Å; S252-N256 PolarHBondContact O-N 2.98Å; I253-N256 PolarHBondContact O-N 3.08Å; N256-G259 PolarHBondContact O-N 3.24Å; N256-T260 PolarHBondContact O-N 2.82Å; N256-T260 PolarHBondContact O-OG1 3.08Å; N256-F275 WeakPolarHBondContact O-CE1 3.17Å; N256-A278 HydrophobicContact CB-CB 4.29Å; N256-Y283 HydrophobicContact CB-CD1 3.9Å; N256-Y283 HydrophobicContact CB-CE1 3.64Å; N256-A286 HydrophobicContact CB-CB 4.23Å; N256-A286 WeakPolarHBondContact OD1-CA 3.41Å; N256-N289 PolarHBondContact OD1-ND2 3.48Å |
| 257 | F | 97.4 | Very high | 94.6 | Very high | 91 Ų | 91 | 51.6 Ų | 51.6 | 40% | 0.399 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.7 | -49.1 | 175.4 | 179.3 | -98.6 | 0 | 0 | 0 | 111.6 | L82 I253 A254 F255 G259 T260 E261 | L82-F257 HydrophobicContact CD2-CD1 4.09Å; L82-F257 HydrophobicContact CD2-CE1 3.71Å; I253-F257 PolarHBondContact O-N 3.43Å; A254-F257 WeakPolarHBondContact O-CB 3.16Å; A254-F257 PolarHBondContact O-N 3.12Å; F255-F257 VanDerWaalsContact C-N 3.3Å; F255-F257 PolarHBondContact O-N 3.27Å; F257-G259 VanDerWaalsContact C-N 3.27Å; F257-G259 PolarHBondContact O-N 3.41Å; F257-T260 WeakPolarHBondContact CA-OG1 3.06Å; F257-T260 PolarHBondContact O-N 2.95Å; F257-T260 PolarHBondContact O-OG1 3.32Å; F257-E261 HydrophobicContact CD1-CG 4.32Å; F257-E261 HydrophobicContact CE1-CG 3.79Å; F257-E261 HydrophobicContact CE2-CG 4.3Å; F257-E261 HydrophobicContact CZ-CG 3.78Å; F257-E261 PolarHBondContact O-N 2.87Å |
| 258 | L | 95.6 | Very high | 95 | Very high | 30 Ų | 30 | 50.6 Ų | 50.6 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57 | -41.1 | 173.2 | -70.6 | 178.9 | 0 | 0 | 0 | 111.8 | W83 A254 F255 T260 E261 N262 Y274 | W83-L258 HydrophobicContact CZ2-CD1 3.78Å; A254-L258 PolarHBondContact O-N 3.39Å; F255-L258 PolarHBondContact O-N 3.03Å; L258-T260 VanDerWaalsContact C-N 3.34Å; L258-T260 PolarHBondContact O-N 3.25Å; L258-E261 PolarHBondContact O-N 2.94Å; L258-N262 PolarHBondContact O-N 3.21Å; L258-N262 PolarHBondContact O-ND2 3.21Å; L258-Y274 HydrophobicContact CB-CD1 4.18Å; L258-Y274 HydrophobicContact CB-CD2 4.04Å; L258-Y274 HydrophobicContact CB-CE1 4.38Å; L258-Y274 HydrophobicContact CB-CE2 4.27Å; L258-Y274 HydrophobicContact CB-CG 4.02Å; L258-Y274 HydrophobicContact CD1-CD1 4.2Å; L258-Y274 HydrophobicContact CD1-CE1 3.79Å |
| 259 | G | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.3 | -45.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | F255 N256 F257 M263 A271 F275 | F255-G259 PolarHBondContact O-N 2.95Å; N256-G259 PolarHBondContact O-N 3.24Å; F257-G259 VanDerWaalsContact C-N 3.27Å; F257-G259 PolarHBondContact O-N 3.41Å; G259-M263 WeakPolarHBondContact O-CB 3.34Å; G259-M263 PolarHBondContact O-N 2.93Å; G259-A271 WeakPolarHBondContact O-CB 3.48Å; G259-F275 WeakPolarHBondContact O-CZ 3.24Å |
| 260 | T | 95.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 48.4 Ų | 48.4 | 14% | 0.135 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.1 | -31.8 | 178 | 53 | 0 | 0 | 0 | 0 | 114.2 | N256 F257 L258 K264 F275 L485 | N256-T260 PolarHBondContact O-N 2.82Å; N256-T260 PolarHBondContact O-OG1 3.08Å; F257-T260 WeakPolarHBondContact CA-OG1 3.06Å; F257-T260 PolarHBondContact O-N 2.95Å; F257-T260 PolarHBondContact O-OG1 3.32Å; L258-T260 VanDerWaalsContact C-N 3.34Å; L258-T260 PolarHBondContact O-N 3.25Å; T260-K264 WeakPolarHBondContact O-CG 3.42Å; T260-K264 PolarHBondContact O-N 3.37Å; T260-F275 HydrophobicContact CG2-CE1 3.94Å; T260-F275 HydrophobicContact CG2-CZ 3.96Å; T260-L485 HydrophobicContact CG2-CD1 3.93Å |
| 261 | E | 96.1 | Very high | 96 | Very high | 69 Ų | 69 | 46.5 Ų | 46.5 | 32% | 0.322 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -72.8 | -42.7 | 174.8 | -64.5 | -47.7 | 118.6 | 0 | 0 | 111.7 | F257 L258 M263 K264 S265 | F257-E261 HydrophobicContact CD1-CG 4.32Å; F257-E261 HydrophobicContact CE1-CG 3.79Å; F257-E261 HydrophobicContact CE2-CG 4.3Å; F257-E261 HydrophobicContact CZ-CG 3.78Å; F257-E261 PolarHBondContact O-N 2.87Å; L258-E261 PolarHBondContact O-N 2.94Å; E261-M263 VanDerWaalsContact C-N 3.29Å; E261-M263 PolarHBondContact O-N 3.2Å; E261-K264 VanDerWaalsContact CD-NZ 3.34Å; E261-K264 WeakPolarHBondContact O-CB 3.11Å; E261-K264 PolarHBondContact O-N 3.2Å; E261-K264 IonicContact OE1-NZ 2.63Å; E261-K264 PolarHBondContact OE1-NZ 3.28Å; E261-K264 IonicContact OE2-NZ 3.25Å; E261-K264 PolarHBondContact OE2-NZ 3.41Å; E261-S265 PolarHBondContact O-N 3.39Å |
| 262 | N | 96.4 | Very high | 96.2 | Very high | 36 Ų | 36 | 45.9 Ų | 45.9 | 19% | 0.193 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -34.7 | 174.8 | -73.7 | -75.6 | 0 | 0 | 0 | 112.2 | L258 K264 S265 G266 D267 A270 A271 | L258-N262 PolarHBondContact O-N 3.21Å; L258-N262 PolarHBondContact O-ND2 3.21Å; N262-K264 PolarHBondContact O-N 2.97Å; N262-S265 WeakPolarHBondContact CA-OG 3.4Å; N262-S265 PolarHBondContact O-N 3.47Å; N262-S265 PolarHBondContact O-OG 3.33Å; N262-S265 VanDerWaalsContact O-OG 3.05Å; N262-G266 PolarHBondContact O-N 2.99Å; N262-G266 VanDerWaalsContact O-N 3.08Å; N262-D267 HydrophobicContact CB-CB 4.42Å; N262-D267 PolarHBondContact O-N 2.95Å; N262-D267 VanDerWaalsContact O-N 3.07Å; N262-A270 HydrophobicContact CB-CB 4.3Å; N262-A271 HydrophobicContact CB-CB 3.76Å |
| 263 | M | 95.4 | Very high | 96.3 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 6% | 0.059 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.9 | -25.9 | 172.8 | -176.8 | 64 | 61.1 | 0 | 0 | 112.7 | G259 E261 Y268 A271 F275 C293 R298 L485 | G259-M263 WeakPolarHBondContact O-CB 3.34Å; G259-M263 PolarHBondContact O-N 2.93Å; E261-M263 VanDerWaalsContact C-N 3.29Å; E261-M263 PolarHBondContact O-N 3.2Å; M263-Y268 HydrophobicContact CE-CD1 4.19Å; M263-Y268 HydrophobicContact SD-CD1 3.56Å; M263-Y268 VanDerWaalsContact SD-CD1 3.56Å; M263-Y268 HydrophobicContact SD-CE1 3.7Å; M263-A271 HydrophobicContact CB-CB 4.07Å; M263-A271 HydrophobicContact CE-CB 4.11Å; M263-F275 HydrophobicContact CE-CE2 3.88Å; M263-C293 VanDerWaalsContact CE-SG 3.58Å; M263-R298 HydrophobicContact CE-CB 4.3Å; M263-L485 HydrophobicContact CG-CD1 4.11Å; M263-L485 HydrophobicContact CG-CD2 3.92Å |
| 264 | K | 94.4 | Very high | 96.5 | Very high | 130 Ų | 130 | 47 Ų | 47 | 57% | 0.565 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -84.8 | -35.7 | 174.3 | -66.6 | 166.4 | -173 | 170.8 | 0 | 112.8 | T260 E261 N262 G266 | T260-K264 WeakPolarHBondContact O-CG 3.42Å; T260-K264 PolarHBondContact O-N 3.37Å; E261-K264 VanDerWaalsContact CD-NZ 3.34Å; E261-K264 WeakPolarHBondContact O-CB 3.11Å; E261-K264 PolarHBondContact O-N 3.2Å; E261-K264 IonicContact OE1-NZ 2.63Å; E261-K264 PolarHBondContact OE1-NZ 3.28Å; E261-K264 IonicContact OE2-NZ 3.25Å; E261-K264 PolarHBondContact OE2-NZ 3.41Å; N262-K264 PolarHBondContact O-N 2.97Å; K264-G266 PolarHBondContact O-N 3.45Å |
| 265 | S | 94.7 | Very high | 96.6 | Very high | 91 Ų | 91 | 46.5 Ų | 46.5 | 64% | 0.636 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -74.1 | -14.3 | 176.7 | 63.9 | 0 | 0 | 0 | 0 | 113.1 | E261 N262 | E261-S265 PolarHBondContact O-N 3.39Å; N262-S265 WeakPolarHBondContact CA-OG 3.4Å; N262-S265 PolarHBondContact O-N 3.47Å; N262-S265 PolarHBondContact O-OG 3.33Å; N262-S265 VanDerWaalsContact O-OG 3.05Å |
| 266 | G | 93.7 | Very high | 96.7 | Very high | 35 Ų | 35 | 48.2 Ų | 48.2 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -0.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N262 K264 Y268 | N262-G266 PolarHBondContact O-N 2.99Å; N262-G266 VanDerWaalsContact O-N 3.08Å; K264-G266 PolarHBondContact O-N 3.45Å; G266-Y268 WeakPolarHBondContact O-CD2 3.29Å; G266-Y268 PolarHBondContact O-N 2.91Å |
| 267 | D | 96.4 | Very high | 96.7 | Very high | 69 Ų | 69 | 52.6 Ų | 52.6 | 37% | 0.369 | 28% | 0.275 | S | S | . | . | trans | -78.3 | 77.8 | 171.5 | -170 | -18 | 0 | 0 | 0 | 110.2 | N262 T269 A270 A271 | N262-D267 HydrophobicContact CB-CB 4.42Å; N262-D267 PolarHBondContact O-N 2.95Å; N262-D267 VanDerWaalsContact O-N 3.07Å; D267-T269 VanDerWaalsContact C-N 3.27Å; D267-T269 PolarHBondContact O-N 3.38Å; D267-T269 PolarHBondContact OD1-N 3.24Å; D267-T269 PolarHBondContact OD1-OG1 2.82Å; D267-A270 HydrophobicContact CB-CB 4.23Å; D267-A270 VanDerWaalsContact OD1-CB 3.32Å; D267-A270 WeakPolarHBondContact OD1-CB 3.48Å; D267-A270 PolarHBondContact OD1-N 3.45Å; D267-A270 VanDerWaalsContact OD2-CB 3.29Å; D267-A270 WeakPolarHBondContact OD2-CB 3.42Å; D267-A271 VanDerWaalsContact O-CB 3.25Å; D267-A271 WeakPolarHBondContact O-CB 3.43Å; D267-A271 PolarHBondContact O-N 3.44Å | ||
| 268 | Y | 96.8 | Very high | 96.7 | Very high | 100 Ų | 100 | 48.2 Ų | 48.2 | 39% | 0.392 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.6 | -30.9 | -177.5 | -57 | -55.9 | 0 | 0 | 0 | 112.8 | M263 G266 F272 R298 G299 | M263-Y268 HydrophobicContact CE-CD1 4.19Å; M263-Y268 HydrophobicContact SD-CD1 3.56Å; M263-Y268 VanDerWaalsContact SD-CD1 3.56Å; M263-Y268 HydrophobicContact SD-CE1 3.7Å; G266-Y268 WeakPolarHBondContact O-CD2 3.29Å; G266-Y268 PolarHBondContact O-N 2.91Å; Y268-F272 VanDerWaalsContact O-CB 3.31Å; Y268-F272 WeakPolarHBondContact O-CB 3.43Å; Y268-F272 PolarHBondContact O-N 3.05Å; Y268-R298 HydrophobicContact CD1-CB 4.22Å; Y268-R298 HydrophobicContact CG-CB 4.27Å; Y268-G299 WeakPolarHBondContact O-CA 3.26Å |
| 269 | T | 97.7 | Very high | 96.7 | Very high | 96 Ų | 96 | 47.2 Ų | 47.2 | 59% | 0.589 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -69.7 | -47.6 | 179.1 | 37.6 | 0 | 0 | 0 | 0 | 112 | D267 A271 F272 S273 | D267-T269 VanDerWaalsContact C-N 3.27Å; D267-T269 PolarHBondContact O-N 3.38Å; D267-T269 PolarHBondContact OD1-N 3.24Å; D267-T269 PolarHBondContact OD1-OG1 2.82Å; T269-A271 VanDerWaalsContact C-N 3.34Å; T269-F272 PolarHBondContact O-N 3.09Å; T269-S273 PolarHBondContact O-N 3.36Å |
| 270 | A | 96.8 | Very high | 96.6 | Very high | 21 Ų | 21 | 51.4 Ų | 51.4 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.5 | -45.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | N262 D267 F272 S273 Y274 | N262-A270 HydrophobicContact CB-CB 4.3Å; D267-A270 HydrophobicContact CB-CB 4.23Å; D267-A270 VanDerWaalsContact OD1-CB 3.32Å; D267-A270 WeakPolarHBondContact OD1-CB 3.48Å; D267-A270 PolarHBondContact OD1-N 3.45Å; D267-A270 VanDerWaalsContact OD2-CB 3.29Å; D267-A270 WeakPolarHBondContact OD2-CB 3.42Å; A270-F272 PolarHBondContact O-N 3.41Å; A270-S273 PolarHBondContact O-N 3.23Å; A270-S273 VanDerWaalsContact O-N 3.16Å; A270-S273 PolarHBondContact O-OG 3.49Å; A270-Y274 HydrophobicContact CB-CE2 4.36Å; A270-Y274 WeakPolarHBondContact O-CD2 3.41Å; A270-Y274 PolarHBondContact O-N 3.3Å |
| 271 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -54.1 | -51.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | G259 N262 M263 D267 T269 S273 Y274 F275 | G259-A271 WeakPolarHBondContact O-CB 3.48Å; N262-A271 HydrophobicContact CB-CB 3.76Å; M263-A271 HydrophobicContact CB-CB 4.07Å; M263-A271 HydrophobicContact CE-CB 4.11Å; D267-A271 VanDerWaalsContact O-CB 3.25Å; D267-A271 WeakPolarHBondContact O-CB 3.43Å; D267-A271 PolarHBondContact O-N 3.44Å; T269-A271 VanDerWaalsContact C-N 3.34Å; A271-S273 PolarHBondContact O-N 2.88Å; A271-Y274 PolarHBondContact O-N 2.96Å; A271-F275 HydrophobicContact CB-CE2 4.21Å; A271-F275 WeakPolarHBondContact O-CD2 3.47Å; A271-F275 WeakPolarHBondContact O-CG 3.49Å; A271-F275 PolarHBondContact O-N 3.39Å |
| 272 | F | 98.2 | Very high | 96.3 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 7% | 0.066 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 177.3 | 179 | -115.9 | 0 | 0 | 0 | 112 | Y268 T269 A270 Y274 F275 Q276 C293 H294 G299 T300 | Y268-F272 VanDerWaalsContact O-CB 3.31Å; Y268-F272 WeakPolarHBondContact O-CB 3.43Å; Y268-F272 PolarHBondContact O-N 3.05Å; T269-F272 PolarHBondContact O-N 3.09Å; A270-F272 PolarHBondContact O-N 3.41Å; F272-Y274 VanDerWaalsContact C-N 3.3Å; F272-Y274 PolarHBondContact O-N 2.89Å; F272-F275 PolarHBondContact O-N 3.26Å; F272-Q276 HydrophobicContact CD1-CG 4.39Å; F272-Q276 HydrophobicContact CD2-CG 4.28Å; F272-Q276 HydrophobicContact CE1-CG 3.98Å; F272-Q276 HydrophobicContact CE2-CG 3.89Å; F272-Q276 VanDerWaalsContact CZ-CD 3.4Å; F272-Q276 HydrophobicContact CZ-CG 3.73Å; F272-Q276 WeakPolarHBondContact O-CG 3.27Å; F272-Q276 PolarHBondContact O-N 3.15Å; F272-C293 HydrophobicContact CD2-CB 3.38Å; F272-C293 HydrophobicContact CE2-CB 3.91Å; F272-C293 HydrophobicContact CG-CB 4.29Å; F272-H294 AromaticContact CE2-NE2 3.65Å; F272-H294 AromaticContact CZ-CE1 3.59Å; F272-H294 AromaticContact CZ-NE2 3.43Å; F272-H294 WeakPolarHBondContact CZ-NE2 3.47Å; F272-G299 WeakPolarHBondContact CD1-O 3.41Å; F272-T300 HydrophobicContact CD1-CG2 4.46Å; F272-T300 HydrophobicContact CD2-CG2 4.15Å; F272-T300 HydrophobicContact CE1-CG2 4.24Å; F272-T300 HydrophobicContact CE2-CG2 3.89Å; F272-T300 HydrophobicContact CG-CG2 4.41Å; F272-T300 HydrophobicContact CZ-CG2 3.93Å |
| 273 | S | 98.3 | Very high | 96.3 | Very high | 40 Ų | 40 | 53.1 Ų | 53.1 | 28% | 0.28 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 178.1 | 83.1 | 0 | 0 | 0 | 0 | 112.9 | T269 A270 A271 K277 | T269-S273 PolarHBondContact O-N 3.36Å; A270-S273 PolarHBondContact O-N 3.23Å; A270-S273 VanDerWaalsContact O-N 3.16Å; A270-S273 PolarHBondContact O-OG 3.49Å; A271-S273 PolarHBondContact O-N 2.88Å; S273-K277 WeakPolarHBondContact O-CG 3.32Å; S273-K277 PolarHBondContact O-N 2.7Å; S273-K277 VanDerWaalsContact O-N 3.11Å |
| 274 | Y | 98.3 | Very high | 96.4 | Very high | 64 Ų | 64 | 53.6 Ų | 53.6 | 25% | 0.251 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.8 | -39 | 176.2 | -74.1 | -61.4 | 0 | 0 | 0 | 112.3 | F255 L258 A270 A271 F272 Q276 K277 A278 | F255-Y274 AromaticContact CD1-CD1 3.83Å; F255-Y274 HydrophobicContact CD1-CD1 3.83Å; F255-Y274 HydrophobicContact CD1-CE1 4.25Å; F255-Y274 HydrophobicContact CE1-CD1 4.47Å; F255-Y274 WeakPolarHBondContact O-CB 3.26Å; L258-Y274 HydrophobicContact CB-CD1 4.18Å; L258-Y274 HydrophobicContact CB-CD2 4.04Å; L258-Y274 HydrophobicContact CB-CE1 4.38Å; L258-Y274 HydrophobicContact CB-CE2 4.27Å; L258-Y274 HydrophobicContact CB-CG 4.02Å; L258-Y274 HydrophobicContact CD1-CD1 4.2Å; L258-Y274 HydrophobicContact CD1-CE1 3.79Å; A270-Y274 HydrophobicContact CB-CE2 4.36Å; A270-Y274 WeakPolarHBondContact O-CD2 3.41Å; A270-Y274 PolarHBondContact O-N 3.3Å; A271-Y274 PolarHBondContact O-N 2.96Å; F272-Y274 VanDerWaalsContact C-N 3.3Å; F272-Y274 PolarHBondContact O-N 2.89Å; Y274-Q276 VanDerWaalsContact C-N 3.35Å; Y274-K277 HydrophobicContact CD1-CD 4.44Å; Y274-K277 PolarHBondContact O-N 2.97Å; Y274-A278 PolarHBondContact O-N 3.46Å |
| 275 | F | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 172.5 | -64.3 | -44.7 | 0 | 0 | 0 | 111.9 | N256 G259 T260 M263 A271 F272 A278 A279 N289 A290 | N256-F275 WeakPolarHBondContact O-CE1 3.17Å; G259-F275 WeakPolarHBondContact O-CZ 3.24Å; T260-F275 HydrophobicContact CG2-CE1 3.94Å; T260-F275 HydrophobicContact CG2-CZ 3.96Å; M263-F275 HydrophobicContact CE-CE2 3.88Å; A271-F275 HydrophobicContact CB-CE2 4.21Å; A271-F275 WeakPolarHBondContact O-CD2 3.47Å; A271-F275 WeakPolarHBondContact O-CG 3.49Å; A271-F275 PolarHBondContact O-N 3.39Å; F272-F275 PolarHBondContact O-N 3.26Å; F275-A278 PolarHBondContact O-N 2.89Å; F275-A279 WeakPolarHBondContact O-CB 3.42Å; F275-A279 PolarHBondContact O-N 3.49Å; F275-N289 HydrophobicContact CB-CB 4.4Å; F275-N289 HydrophobicContact CD1-CB 3.53Å; F275-N289 HydrophobicContact CD2-CB 3.87Å; F275-N289 HydrophobicContact CE1-CB 3.61Å; F275-N289 WeakPolarHBondContact CE1-ND2 3.29Å; F275-N289 HydrophobicContact CE2-CB 3.94Å; F275-N289 HydrophobicContact CG-CB 3.68Å; F275-N289 HydrophobicContact CZ-CB 3.81Å; F275-A290 HydrophobicContact CB-CB 4.3Å |
| 276 | Q | 98 | Very high | 96.7 | Very high | 80 Ų | 80 | 46 Ų | 46 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 174.4 | -74.8 | -171.4 | -48.3 | 0 | 0 | 112.2 | F272 Y274 A278 A279 A280 | F272-Q276 HydrophobicContact CD1-CG 4.39Å; F272-Q276 HydrophobicContact CD2-CG 4.28Å; F272-Q276 HydrophobicContact CE1-CG 3.98Å; F272-Q276 HydrophobicContact CE2-CG 3.89Å; F272-Q276 VanDerWaalsContact CZ-CD 3.4Å; F272-Q276 HydrophobicContact CZ-CG 3.73Å; F272-Q276 WeakPolarHBondContact O-CG 3.27Å; F272-Q276 PolarHBondContact O-N 3.15Å; Y274-Q276 VanDerWaalsContact C-N 3.35Å; Q276-A278 PolarHBondContact O-N 3.02Å; Q276-A279 PolarHBondContact O-N 3.06Å; Q276-A280 WeakPolarHBondContact O-CB 3.37Å; Q276-A280 PolarHBondContact O-N 3.29Å |
| 277 | K | 97.2 | Very high | 96.9 | Very high | 101 Ų | 101 | 44.9 Ų | 44.9 | 44% | 0.439 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -57.2 | -50.9 | 176.2 | -72.1 | 168.2 | -175.8 | 173.9 | 0 | 111.5 | F255 S273 Y274 A279 A280 H281 | F255-K277 HydrophobicContact CD2-CB 3.8Å; F255-K277 HydrophobicContact CE1-CD 4.36Å; F255-K277 HydrophobicContact CE2-CB 4.02Å; F255-K277 HydrophobicContact CG-CB 4.18Å; F255-K277 HydrophobicContact CZ-CD 4.37Å; S273-K277 WeakPolarHBondContact O-CG 3.32Å; S273-K277 PolarHBondContact O-N 2.7Å; S273-K277 VanDerWaalsContact O-N 3.11Å; Y274-K277 HydrophobicContact CD1-CD 4.44Å; Y274-K277 PolarHBondContact O-N 2.97Å; K277-A279 PolarHBondContact O-N 2.94Å; K277-A280 PolarHBondContact O-N 3.45Å; K277-H281 PolarHBondContact O-CD2 2.87Å; K277-H281 PolarHBondContact O-N 3.1Å |
| 278 | A | 97.2 | Very high | 97 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.6 | -35.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | S252 F255 N256 Y274 F275 Q276 H281 Y283 A286 | S252-A278 VanDerWaalsContact O-CB 3.26Å; S252-A278 WeakPolarHBondContact O-CB 3.26Å; F255-A278 HydrophobicContact CB-CB 3.83Å; N256-A278 HydrophobicContact CB-CB 4.29Å; Y274-A278 PolarHBondContact O-N 3.46Å; F275-A278 PolarHBondContact O-N 2.89Å; Q276-A278 PolarHBondContact O-N 3.02Å; A278-H281 PolarHBondContact O-N 3.41Å; A278-Y283 WeakPolarHBondContact O-CB 3.35Å; A278-Y283 PolarHBondContact O-N 3.15Å; A278-A286 HydrophobicContact CB-CB 3.29Å |
| 279 | A | 96.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 7% | 0.066 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.3 | -33.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | F275 Q276 K277 H281 G282 A286 Q287 Y310 | F275-A279 WeakPolarHBondContact O-CB 3.42Å; F275-A279 PolarHBondContact O-N 3.49Å; Q276-A279 PolarHBondContact O-N 3.06Å; K277-A279 PolarHBondContact O-N 2.94Å; A279-H281 VanDerWaalsContact C-N 3.31Å; A279-G282 WeakPolarHBondContact O-CA 3.48Å; A279-G282 PolarHBondContact O-N 3.49Å; A279-A286 HydrophobicContact CB-CB 4.37Å; A279-Q287 HydrophobicContact CB-CB 4.38Å; A279-Q287 HydrophobicContact CB-CG 3.64Å; A279-Q287 PolarHBondContact O-NE2 2.84Å; A279-Y310 HydrophobicContact CB-CE1 4.18Å |
| 280 | A | 95.3 | Very high | 97.1 | Very high | 88 Ų | 88 | 33.9 Ų | 33.9 | 73% | 0.727 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -65.8 | -31.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q276 K277 G282 | Q276-A280 WeakPolarHBondContact O-CB 3.37Å; Q276-A280 PolarHBondContact O-N 3.29Å; K277-A280 PolarHBondContact O-N 3.45Å; A280-G282 PolarHBondContact O-N 3.05Å |
| 281 | H | 92.6 | Very high | 97.1 | Very high | 89 Ų | 89 | 32.9 Ų | 32.9 | 41% | 0.412 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | 9.8 | 168.6 | -64.2 | -70.4 | 0 | 0 | 0 | 113.6 | Q248 S252 K277 A278 A279 Y283 | Q248-H281 PolarHBondContact OE1-CE1 3.46Å; Q248-H281 PolarHBondContact OE1-ND1 3.29Å; S252-H281 WeakPolarHBondContact OG-CB 3.3Å; K277-H281 PolarHBondContact O-CD2 2.87Å; K277-H281 PolarHBondContact O-N 3.1Å; A278-H281 PolarHBondContact O-N 3.41Å; A279-H281 VanDerWaalsContact C-N 3.31Å; H281-Y283 PolarHBondContact O-N 3.43Å |
| 282 | G | 92.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 34 Ų | 34 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A279 A280 S284 Q287 Q317 | A279-G282 WeakPolarHBondContact O-CA 3.48Å; A279-G282 PolarHBondContact O-N 3.49Å; A280-G282 PolarHBondContact O-N 3.05Å; G282-S284 PolarHBondContact O-N 3.43Å; G282-Q287 PolarHBondContact O-NE2 3.02Å; G282-Q317 PolarHBondContact O-NE2 3.21Å; G282-Q317 PolarHBondContact O-OE1 3.32Å; G282-Q317 VanDerWaalsContact O-OE1 3.04Å |
| 283 | Y | 96.6 | Very high | 97.1 | Very high | 48 Ų | 48 | 33.3 Ų | 33.3 | 19% | 0.188 | 18% | 0.179 | C | C | . | . | trans | -66.9 | 109.8 | -170.1 | -176.7 | -129.9 | 0 | 0 | 0 | 113 | L249 I253 N256 A278 H281 K285 A286 Q287 | L249-Y283 HydrophobicContact CD1-CD2 4.02Å; L249-Y283 HydrophobicContact CD1-CE2 4.39Å; I253-Y283 HydrophobicContact CG1-CE1 4.17Å; I253-Y283 HydrophobicContact CG1-CE2 3.99Å; N256-Y283 HydrophobicContact CB-CD1 3.9Å; N256-Y283 HydrophobicContact CB-CE1 3.64Å; A278-Y283 WeakPolarHBondContact O-CB 3.35Å; A278-Y283 PolarHBondContact O-N 3.15Å; H281-Y283 PolarHBondContact O-N 3.43Å; Y283-K285 VanDerWaalsContact C-N 3.33Å; Y283-K285 HydrophobicContact CD1-CB 4.41Å; Y283-K285 HydrophobicContact CE1-CB 3.8Å; Y283-K285 HydrophobicContact CE2-CB 4.41Å; Y283-K285 PolarHBondContact O-N 3.28Å; Y283-A286 HydrophobicContact CD1-CB 3.83Å; Y283-A286 WeakPolarHBondContact O-CA 3.23Å; Y283-A286 WeakPolarHBondContact O-CB 3.43Å; Y283-A286 PolarHBondContact O-N 3.1Å; Y283-Q287 PolarHBondContact O-N 3.01Å | ||
| 284 | S | 97.5 | Very high | 97 | Very high | 22 Ų | 22 | 31.8 Ų | 31.8 | 15% | 0.154 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.1 | -37.2 | -171.2 | 63.2 | 0 | 0 | 0 | 0 | 115.1 | G282 A286 Q287 Y288 A314 | G282-S284 PolarHBondContact O-N 3.43Å; S284-A286 VanDerWaalsContact C-N 3.33Å; S284-A286 PolarHBondContact O-N 3.41Å; S284-Q287 PolarHBondContact O-N 3.46Å; S284-Y288 WeakPolarHBondContact O-CB 3.48Å; S284-Y288 PolarHBondContact O-N 3.35Å; S284-A314 VanDerWaalsContact O-CB 3.29Å; S284-A314 WeakPolarHBondContact O-CB 3.47Å |
| 285 | K | 96.9 | Very high | 96.9 | Very high | 61 Ų | 61 | 29.8 Ų | 29.8 | 27% | 0.265 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -67.1 | -33.8 | 176.2 | -170.1 | 170.3 | -174.5 | 172.4 | 0 | 112.1 | Y283 N289 T482 | Y283-K285 VanDerWaalsContact C-N 3.33Å; Y283-K285 HydrophobicContact CD1-CB 4.41Å; Y283-K285 HydrophobicContact CE1-CB 3.8Å; Y283-K285 HydrophobicContact CE2-CB 4.41Å; Y283-K285 PolarHBondContact O-N 3.28Å; K285-N289 VanDerWaalsContact O-CG 3.24Å; K285-N289 PolarHBondContact O-N 3.13Å; K285-N289 VanDerWaalsContact O-N 3.1Å; K285-N289 PolarHBondContact O-ND2 3.05Å; K285-T482 PolarHBondContact NZ-O 3.31Å |
| 286 | A | 97.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -75.4 | -38.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N256 A278 A279 Y283 S284 Y288 N289 A290 | N256-A286 HydrophobicContact CB-CB 4.23Å; N256-A286 WeakPolarHBondContact OD1-CA 3.41Å; A278-A286 HydrophobicContact CB-CB 3.29Å; A279-A286 HydrophobicContact CB-CB 4.37Å; Y283-A286 HydrophobicContact CD1-CB 3.83Å; Y283-A286 WeakPolarHBondContact O-CA 3.23Å; Y283-A286 WeakPolarHBondContact O-CB 3.43Å; Y283-A286 PolarHBondContact O-N 3.1Å; S284-A286 VanDerWaalsContact C-N 3.33Å; S284-A286 PolarHBondContact O-N 3.41Å; A286-Y288 VanDerWaalsContact C-N 3.32Å; A286-Y288 PolarHBondContact O-N 2.68Å; A286-N289 PolarHBondContact O-N 2.95Å; A286-N289 VanDerWaalsContact O-N 3.16Å; A286-A290 WeakPolarHBondContact O-CB 3.22Å; A286-A290 PolarHBondContact O-N 2.95Å |
| 287 | Q | 98.4 | Very high | 96.6 | Very high | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 171.2 | -70.4 | 172.3 | -6.7 | 0 | 0 | 110.8 | A279 G282 Y283 S284 N289 A290 G291 Y310 L313 A314 | A279-Q287 HydrophobicContact CB-CB 4.38Å; A279-Q287 HydrophobicContact CB-CG 3.64Å; A279-Q287 PolarHBondContact O-NE2 2.84Å; G282-Q287 PolarHBondContact O-NE2 3.02Å; Y283-Q287 PolarHBondContact O-N 3.01Å; S284-Q287 PolarHBondContact O-N 3.46Å; Q287-N289 VanDerWaalsContact C-N 3.35Å; Q287-N289 PolarHBondContact O-N 3.41Å; Q287-A290 PolarHBondContact O-N 3.22Å; Q287-G291 PolarHBondContact O-N 2.84Å; Q287-Y310 HydrophobicContact CB-CD1 4.29Å; Q287-Y310 HydrophobicContact CG-CD1 4.49Å; Q287-Y310 WeakPolarHBondContact O-CB 3.39Å; Q287-L313 PolarHBondContact OE1-O 3Å; Q287-A314 HydrophobicContact CB-CB 3.98Å |
| 288 | Y | 98.2 | Very high | 96.6 | Very high | 23 Ų | 23 | 28.6 Ų | 28.6 | 9% | 0.09 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.6 | -44.8 | 172.3 | 171.7 | -102.5 | 0 | 0 | 0 | 112.9 | S284 A286 G291 L292 Y311 H319 L321 A322 R325 | S284-Y288 WeakPolarHBondContact O-CB 3.48Å; S284-Y288 PolarHBondContact O-N 3.35Å; A286-Y288 VanDerWaalsContact C-N 3.32Å; A286-Y288 PolarHBondContact O-N 2.68Å; Y288-G291 PolarHBondContact O-N 3.31Å; Y288-L292 HydrophobicContact CD1-CD1 4.11Å; Y288-L292 HydrophobicContact CE1-CD1 3.45Å; Y288-L292 VanDerWaalsContact CE1-CD1 3.45Å; Y288-L292 HydrophobicContact CE1-CG 4.25Å; Y288-L292 HydrophobicContact CE2-CD1 4.47Å; Y288-L292 HydrophobicContact CE2-CG 4.46Å; Y288-L292 PolarHBondContact O-N 3.33Å; Y288-Y311 AromaticContact CD2-CD1 3.94Å; Y288-Y311 HydrophobicContact CD2-CD1 3.94Å; Y288-Y311 AromaticContact CD2-CE1 3.83Å; Y288-Y311 HydrophobicContact CD2-CE1 3.83Å; Y288-Y311 HydrophobicContact CE2-CD1 4.48Å; Y288-Y311 HydrophobicContact CE2-CE1 4.08Å; Y288-H319 AromaticContact CD1-CE1 3.59Å; Y288-H319 AromaticContact CD2-CE1 3.9Å; Y288-H319 AromaticContact CG-CE1 3.38Å; Y288-H319 AromaticContact CG-ND1 3.82Å; Y288-L321 HydrophobicContact CD2-CB 4.31Å; Y288-L321 HydrophobicContact CE1-CB 4.36Å; Y288-L321 HydrophobicContact CE1-CD1 4.21Å; Y288-L321 HydrophobicContact CE2-CB 3.72Å; Y288-A322 HydrophobicContact CD2-CB 3.86Å; Y288-R325 HydrophobicContact CE2-CG 4.19Å |
| 289 | N | 98.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 29.8 Ų | 29.8 | 5% | 0.053 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.6 | -37.7 | 178.4 | -70.8 | -27.1 | 0 | 0 | 0 | 113 | N256 F275 K285 A286 Q287 G291 L292 C293 | N256-N289 PolarHBondContact OD1-ND2 3.48Å; F275-N289 HydrophobicContact CB-CB 4.4Å; F275-N289 HydrophobicContact CD1-CB 3.53Å; F275-N289 HydrophobicContact CD2-CB 3.87Å; F275-N289 HydrophobicContact CE1-CB 3.61Å; F275-N289 WeakPolarHBondContact CE1-ND2 3.29Å; F275-N289 HydrophobicContact CE2-CB 3.94Å; F275-N289 HydrophobicContact CG-CB 3.68Å; F275-N289 HydrophobicContact CZ-CB 3.81Å; K285-N289 VanDerWaalsContact O-CG 3.24Å; K285-N289 PolarHBondContact O-N 3.13Å; K285-N289 VanDerWaalsContact O-N 3.1Å; K285-N289 PolarHBondContact O-ND2 3.05Å; A286-N289 PolarHBondContact O-N 2.95Å; A286-N289 VanDerWaalsContact O-N 3.16Å; Q287-N289 VanDerWaalsContact C-N 3.35Å; Q287-N289 PolarHBondContact O-N 3.41Å; N289-G291 VanDerWaalsContact C-N 3.32Å; N289-L292 WeakPolarHBondContact O-CB 3.37Å; N289-L292 PolarHBondContact O-N 3.22Å; N289-C293 PolarHBondContact O-N 3.06Å |
| 290 | A | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.1 | -37.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F275 A286 Q287 C293 H294 Y310 | F275-A290 HydrophobicContact CB-CB 4.3Å; A286-A290 WeakPolarHBondContact O-CB 3.22Å; A286-A290 PolarHBondContact O-N 2.95Å; Q287-A290 PolarHBondContact O-N 3.22Å; A290-C293 WeakPolarHBondContact O-CB 3.36Å; A290-C293 PolarHBondContact O-N 2.88Å; A290-H294 PolarHBondContact O-CD2 2.86Å; A290-H294 PolarHBondContact O-N 2.85Å; A290-H294 VanDerWaalsContact O-N 3.08Å; A290-Y310 HydrophobicContact CB-CD1 3.93Å; A290-Y310 HydrophobicContact CB-CD2 4.42Å; A290-Y310 HydrophobicContact CB-CE1 3.92Å; A290-Y310 HydrophobicContact CB-CE2 4.42Å; A290-Y310 HydrophobicContact CB-CG 4.19Å |
| 291 | G | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60 | -44.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q287 Y288 N289 C293 H294 E295 A307 | Q287-G291 PolarHBondContact O-N 2.84Å; Y288-G291 PolarHBondContact O-N 3.31Å; N289-G291 VanDerWaalsContact C-N 3.32Å; G291-C293 PolarHBondContact O-N 3.42Å; G291-H294 PolarHBondContact O-N 2.98Å; G291-E295 PolarHBondContact O-N 2.8Å; G291-A307 VanDerWaalsContact O-CB 3.31Å; G291-A307 WeakPolarHBondContact O-CB 3.11Å |
| 292 | L | 97 | Very high | 96.8 | Very high | 24 Ų | 24 | 35.4 Ų | 35.4 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 174.2 | -74.7 | 170.9 | 0 | 0 | 0 | 112.6 | Y288 N289 H294 E295 H296 Y311 | Y288-L292 HydrophobicContact CD1-CD1 4.11Å; Y288-L292 HydrophobicContact CE1-CD1 3.45Å; Y288-L292 VanDerWaalsContact CE1-CD1 3.45Å; Y288-L292 HydrophobicContact CE1-CG 4.25Å; Y288-L292 HydrophobicContact CE2-CD1 4.47Å; Y288-L292 HydrophobicContact CE2-CG 4.46Å; Y288-L292 PolarHBondContact O-N 3.33Å; N289-L292 WeakPolarHBondContact O-CB 3.37Å; N289-L292 PolarHBondContact O-N 3.22Å; L292-H294 VanDerWaalsContact C-N 3.34Å; L292-H294 PolarHBondContact O-N 3.34Å; L292-E295 PolarHBondContact O-N 3.24Å; L292-H296 WeakPolarHBondContact O-CB 3.06Å; L292-H296 PolarHBondContact O-CD2 3Å; L292-H296 VanDerWaalsContact O-CD2 3.31Å; L292-H296 PolarHBondContact O-N 2.92Å; L292-H296 VanDerWaalsContact O-N 3.08Å; L292-Y311 WeakPolarHBondContact CA-OH 3.05Å; L292-Y311 WeakPolarHBondContact CD2-OH 3.22Å; L292-Y311 HydrophobicContact CG-CE1 4.44Å; L292-Y311 PolarHBondContact N-OH 3.16Å |
| 293 | C | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.2 | -45.7 | 174.1 | -80.4 | 0 | 0 | 0 | 0 | 111.6 | M263 F272 N289 A290 G291 G297 R298 T300 | M263-C293 VanDerWaalsContact CE-SG 3.58Å; F272-C293 HydrophobicContact CD2-CB 3.38Å; F272-C293 HydrophobicContact CE2-CB 3.91Å; F272-C293 HydrophobicContact CG-CB 4.29Å; N289-C293 PolarHBondContact O-N 3.06Å; A290-C293 WeakPolarHBondContact O-CB 3.36Å; A290-C293 PolarHBondContact O-N 2.88Å; G291-C293 PolarHBondContact O-N 3.42Å; C293-G297 CarbonylContact O-C 3.37Å; C293-G297 WeakPolarHBondContact O-CA 3.48Å; C293-G297 PolarHBondContact O-N 3.46Å; C293-R298 WeakPolarHBondContact CB-O 3.42Å; C293-R298 PolarHBondContact O-N 3.03Å; C293-R298 PolarHBondContact SG-O 3.01Å; C293-T300 HydrophobicContact CB-CG2 4.12Å |
| 294 | H | 97.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70.3 | -37.7 | 176.1 | -76.8 | -58.4 | 0 | 0 | 0 | 113.6 | F272 A290 G291 L292 H296 T300 R302 D303 K306 A307 Y310 | F272-H294 AromaticContact CE2-NE2 3.65Å; F272-H294 AromaticContact CZ-CE1 3.59Å; F272-H294 AromaticContact CZ-NE2 3.43Å; F272-H294 WeakPolarHBondContact CZ-NE2 3.47Å; A290-H294 PolarHBondContact O-CD2 2.86Å; A290-H294 PolarHBondContact O-N 2.85Å; A290-H294 VanDerWaalsContact O-N 3.08Å; G291-H294 PolarHBondContact O-N 2.98Å; L292-H294 VanDerWaalsContact C-N 3.34Å; L292-H294 PolarHBondContact O-N 3.34Å; H294-H296 VanDerWaalsContact C-N 3.3Å; H294-H296 PolarHBondContact O-N 3.47Å; H294-T300 PolarHBondContact CE1-OG1 3.36Å; H294-T300 WeakPolarHBondContact ND1-CG2 3.46Å; H294-R302 WeakPolarHBondContact O-CA 3.33Å; H294-D303 WeakPolarHBondContact CB-O 3.39Å; H294-D303 PolarHBondContact O-N 2.93Å; H294-K306 HydrophobicContact CB-CB 4.34Å; H294-A307 HydrophobicContact CB-CB 3.95Å; H294-Y310 AromaticContact CD2-CD2 3.66Å; H294-Y310 AromaticContact CD2-CE2 3.52Å; H294-Y310 AromaticContact NE2-CE2 3.6Å |
| 295 | E | 95.2 | Very high | 96.6 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.2 | -39.6 | 177.6 | -174.7 | -177.1 | 152.8 | 0 | 0 | 111.8 | G291 L292 R302 I304 A307 Y311 R325 R328 | G291-E295 PolarHBondContact O-N 2.8Å; L292-E295 PolarHBondContact O-N 3.24Å; E295-R302 WeakPolarHBondContact O-CG 3.11Å; E295-R302 PolarHBondContact O-NE 3.26Å; E295-I304 HydrophobicContact CG-CD1 4.39Å; E295-A307 HydrophobicContact CB-CB 4.06Å; E295-Y311 WeakPolarHBondContact OE2-CE2 3.46Å; E295-Y311 PolarHBondContact OE2-OH 3.17Å; E295-R325 IonicContact OE1-NH1 2.88Å; E295-R325 PolarHBondContact OE1-NH1 2.98Å; E295-R325 IonicContact OE2-CZ 3.83Å; E295-R325 IonicContact OE2-NH1 2.8Å; E295-R325 PolarHBondContact OE2-NH1 3.43Å; E295-R328 IonicContact OE1-CZ 3.92Å; E295-R328 IonicContact OE1-NH2 2.74Å; E295-R328 PolarHBondContact OE1-NH2 3.34Å; E295-R328 IonicContact OE2-NH2 3.41Å; E295-R328 PolarHBondContact OE2-NH2 3.09Å |
| 296 | H | 94.9 | Very high | 96.6 | Very high | 76 Ų | 76 | 41.3 Ų | 41.3 | 35% | 0.352 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -105.5 | -4.7 | -172.6 | -62.9 | -57.7 | 0 | 0 | 0 | 114.8 | L292 H294 R298 | L292-H296 WeakPolarHBondContact O-CB 3.06Å; L292-H296 PolarHBondContact O-CD2 3Å; L292-H296 VanDerWaalsContact O-CD2 3.31Å; L292-H296 PolarHBondContact O-N 2.92Å; L292-H296 VanDerWaalsContact O-N 3.08Å; H294-H296 VanDerWaalsContact C-N 3.3Å; H294-H296 PolarHBondContact O-N 3.47Å; H296-R298 HydrophobicContact CB-CG 4.05Å |
| 297 | G | 95.9 | Very high | 96.5 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 32% | 0.32 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.8 | 31.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114.4 | C293 T300 | C293-G297 CarbonylContact O-C 3.37Å; C293-G297 WeakPolarHBondContact O-CA 3.48Å; C293-G297 PolarHBondContact O-N 3.46Å; G297-T300 CarbonylContact C-O 3.12Å; G297-T300 WeakPolarHBondContact CA-O 3.3Å |
| 298 | R | 95.7 | Very high | 96.3 | Very high | 51 Ų | 51 | 42.4 Ų | 42.4 | 19% | 0.192 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -92.1 | 105.6 | -176.9 | -65.3 | -176 | -176.4 | -168 | -1.8 | 110.6 | M263 Y268 C293 H296 T300 L488 | M263-R298 HydrophobicContact CE-CB 4.3Å; Y268-R298 HydrophobicContact CD1-CB 4.22Å; Y268-R298 HydrophobicContact CG-CB 4.27Å; C293-R298 WeakPolarHBondContact CB-O 3.42Å; C293-R298 PolarHBondContact O-N 3.03Å; C293-R298 PolarHBondContact SG-O 3.01Å; H296-R298 HydrophobicContact CB-CG 4.05Å; R298-T300 PolarHBondContact O-N 3.49Å; R298-L488 PolarHBondContact NH2-O 3.12Å |
| 299 | G | 95.3 | Very high | 96.3 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 25% | 0.247 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 77.8 | 5.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y268 F272 | Y268-G299 WeakPolarHBondContact O-CA 3.26Å; F272-G299 WeakPolarHBondContact CD1-O 3.41Å |
| 300 | T | 97.1 | Very high | 96.3 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -158 | 151.7 | -177.4 | -168.3 | 0 | 0 | 0 | 0 | 108.4 | F272 C293 H294 G297 R298 | F272-T300 HydrophobicContact CD1-CG2 4.46Å; F272-T300 HydrophobicContact CD2-CG2 4.15Å; F272-T300 HydrophobicContact CE1-CG2 4.24Å; F272-T300 HydrophobicContact CE2-CG2 3.89Å; F272-T300 HydrophobicContact CG-CG2 4.41Å; F272-T300 HydrophobicContact CZ-CG2 3.93Å; C293-T300 HydrophobicContact CB-CG2 4.12Å; H294-T300 PolarHBondContact CE1-OG1 3.36Å; H294-T300 WeakPolarHBondContact ND1-CG2 3.46Å; G297-T300 CarbonylContact C-O 3.12Å; G297-T300 WeakPolarHBondContact CA-O 3.3Å; R298-T300 PolarHBondContact O-N 3.49Å |
| 301 | P | 97.3 | Very high | 96.2 | Very high | 109 Ų | 109 | 48.2 Ų | 48.2 | 71% | 0.708 | 26% | 0.256 | S | S | * | . | trans | -54.6 | 143.2 | 170.2 | -25.9 | 35.7 | 0 | 0 | 0 | 111.9 | D303 | P301-D303 PolarHBondContact O-N 2.86Š| ||
| 302 | R | 96.7 | Very high | 96.2 | Very high | 169 Ų | 169 | 52.3 Ų | 52.3 | 64% | 0.638 | 28% | 0.275 | S | S | * | . | trans | -65.8 | 124.2 | 179.2 | -170.7 | -178.2 | -172.8 | -168 | -0.3 | 110.2 | H294 E295 | H294-R302 WeakPolarHBondContact O-CA 3.33Å; E295-R302 WeakPolarHBondContact O-CG 3.11Å; E295-R302 PolarHBondContact O-NE 3.26Å | ||
| 303 | D | 95.8 | Very high | 96.2 | Very high | 38 Ų | 38 | 55.3 Ų | 55.3 | 20% | 0.203 | 29% | 0.291 | C | S | . | . | trans | -147.2 | 100.3 | -175.4 | -171.4 | -34.5 | 0 | 0 | 0 | 110 | H294 P301 S305 K306 A307 | H294-D303 WeakPolarHBondContact CB-O 3.39Å; H294-D303 PolarHBondContact O-N 2.93Å; P301-D303 PolarHBondContact O-N 2.86Å; D303-S305 VanDerWaalsContact C-N 3.33Å; D303-S305 PolarHBondContact O-N 3.39Å; D303-S305 PolarHBondContact OD1-N 3.15Å; D303-S305 VanDerWaalsContact OD1-N 3.11Å; D303-K306 HydrophobicContact CB-CB 4.1Å; D303-K306 HydrophobicContact CB-CD 4.32Å; D303-K306 HydrophobicContact CB-CG 4.32Å; D303-K306 PolarHBondContact OD1-N 2.87Å; D303-K306 VanDerWaalsContact OD2-CD 3.32Å; D303-K306 WeakPolarHBondContact OD2-CD 3.41Å; D303-K306 WeakPolarHBondContact OD2-CE 3.47Å; D303-K306 WeakPolarHBondContact OD2-CG 3.36Å; D303-K306 IonicContact OD2-NZ 2.63Å; D303-K306 PolarHBondContact OD2-NZ 3.1Å; D303-A307 PolarHBondContact O-N 3Å; D303-A307 VanDerWaalsContact O-N 3.08Å | ||
| 304 | I | 93.3 | Very high | 96.2 | Very high | 54 Ų | 54 | 55.3 Ų | 55.3 | 28% | 0.277 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.2 | -35.3 | -177.5 | -55.5 | -56.3 | 0 | 0 | 0 | 111.1 | E295 A307 V308 | E295-I304 HydrophobicContact CG-CD1 4.39Å; I304-A307 WeakPolarHBondContact O-CB 3.45Å; I304-A307 PolarHBondContact O-N 2.96Å; I304-V308 HydrophobicContact CG2-CG2 4.47Å; I304-V308 WeakPolarHBondContact O-CG2 3.36Å; I304-V308 PolarHBondContact O-N 3.19Å |
| 305 | S | 93.8 | Very high | 96 | Very high | 88 Ų | 88 | 55.4 Ų | 55.4 | 62% | 0.615 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.5 | -44.7 | -179.5 | -56.1 | 0 | 0 | 0 | 0 | 111.4 | D303 V308 L309 | D303-S305 VanDerWaalsContact C-N 3.33Å; D303-S305 PolarHBondContact O-N 3.39Å; D303-S305 PolarHBondContact OD1-N 3.15Å; D303-S305 VanDerWaalsContact OD1-N 3.11Å; S305-V308 PolarHBondContact O-N 3Å; S305-L309 WeakPolarHBondContact O-CG 3.47Å; S305-L309 PolarHBondContact O-N 3.48Å |
| 306 | K | 96.1 | Very high | 96.1 | Very high | 102 Ų | 102 | 59 Ų | 59 | 44% | 0.443 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 171.5 | -71.9 | -174.4 | -174.6 | 95.3 | 0 | 111.8 | H294 D303 V308 L309 Y310 | H294-K306 HydrophobicContact CB-CB 4.34Å; D303-K306 HydrophobicContact CB-CB 4.1Å; D303-K306 HydrophobicContact CB-CD 4.32Å; D303-K306 HydrophobicContact CB-CG 4.32Å; D303-K306 PolarHBondContact OD1-N 2.87Å; D303-K306 VanDerWaalsContact OD2-CD 3.32Å; D303-K306 WeakPolarHBondContact OD2-CD 3.41Å; D303-K306 WeakPolarHBondContact OD2-CE 3.47Å; D303-K306 WeakPolarHBondContact OD2-CG 3.36Å; D303-K306 IonicContact OD2-NZ 2.63Å; D303-K306 PolarHBondContact OD2-NZ 3.1Å; K306-V308 VanDerWaalsContact C-N 3.33Å; K306-V308 PolarHBondContact O-N 3.26Å; K306-L309 PolarHBondContact O-N 2.91Å; K306-Y310 VanDerWaalsContact O-CD2 3.26Å; K306-Y310 WeakPolarHBondContact O-CD2 3.34Å; K306-Y310 PolarHBondContact O-N 3.29Å |
| 307 | A | 96.6 | Very high | 96 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.008 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.5 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | G291 H294 E295 D303 I304 Y310 Y311 | G291-A307 VanDerWaalsContact O-CB 3.31Å; G291-A307 WeakPolarHBondContact O-CB 3.11Å; H294-A307 HydrophobicContact CB-CB 3.95Å; E295-A307 HydrophobicContact CB-CB 4.06Å; D303-A307 PolarHBondContact O-N 3Å; D303-A307 VanDerWaalsContact O-N 3.08Å; I304-A307 WeakPolarHBondContact O-CB 3.45Å; I304-A307 PolarHBondContact O-N 2.96Å; A307-Y310 PolarHBondContact O-N 3.41Å; A307-Y311 HydrophobicContact CB-CE2 4.16Å; A307-Y311 WeakPolarHBondContact O-CD2 3.42Å; A307-Y311 PolarHBondContact O-N 2.81Å |
| 308 | V | 95.3 | Very high | 95.8 | Very high | 33 Ų | 33 | 61 Ų | 61 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 175.8 | 171.5 | 0 | 0 | 0 | 0 | 111.8 | I304 S305 K306 Y310 Y311 Q312 Y326 C329 | I304-V308 HydrophobicContact CG2-CG2 4.47Å; I304-V308 WeakPolarHBondContact O-CG2 3.36Å; I304-V308 PolarHBondContact O-N 3.19Å; S305-V308 PolarHBondContact O-N 3Å; K306-V308 VanDerWaalsContact C-N 3.33Å; K306-V308 PolarHBondContact O-N 3.26Å; V308-Y310 PolarHBondContact O-N 3.49Å; V308-Y311 PolarHBondContact O-N 3Å; V308-Q312 WeakPolarHBondContact O-CB 3.27Å; V308-Q312 PolarHBondContact O-N 2.82Å; V308-Y326 HydrophobicContact CG1-CD2 4.01Å; V308-Y326 HydrophobicContact CG1-CE2 3.91Å; V308-C329 HydrophobicContact CG2-CB 3.58Å |
| 309 | L | 96.8 | Very high | 95.7 | Very high | 101 Ų | 101 | 60 Ų | 60 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 177.5 | -68.2 | 170.7 | 0 | 0 | 0 | 111.9 | S305 K306 Y311 Q312 L313 | S305-L309 WeakPolarHBondContact O-CG 3.47Å; S305-L309 PolarHBondContact O-N 3.48Å; K306-L309 PolarHBondContact O-N 2.91Å; L309-Y311 PolarHBondContact O-N 3.1Å; L309-Q312 WeakPolarHBondContact O-CB 3.29Å; L309-Q312 PolarHBondContact O-N 2.86Å; L309-L313 WeakPolarHBondContact O-CG 3.4Å; L309-L313 PolarHBondContact O-N 3.2Å |
| 310 | Y | 98 | Very high | 95.5 | Very high | 54 Ų | 54 | 62.5 Ų | 62.5 | 21% | 0.212 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 176.2 | -84.7 | -67.9 | 0 | 0 | 0 | 112.9 | A279 Q287 A290 H294 K306 A307 V308 A314 | A279-Y310 HydrophobicContact CB-CE1 4.18Å; Q287-Y310 HydrophobicContact CB-CD1 4.29Å; Q287-Y310 HydrophobicContact CG-CD1 4.49Å; Q287-Y310 WeakPolarHBondContact O-CB 3.39Å; A290-Y310 HydrophobicContact CB-CD1 3.93Å; A290-Y310 HydrophobicContact CB-CD2 4.42Å; A290-Y310 HydrophobicContact CB-CE1 3.92Å; A290-Y310 HydrophobicContact CB-CE2 4.42Å; A290-Y310 HydrophobicContact CB-CG 4.19Å; H294-Y310 AromaticContact CD2-CD2 3.66Å; H294-Y310 AromaticContact CD2-CE2 3.52Å; H294-Y310 AromaticContact NE2-CE2 3.6Å; K306-Y310 VanDerWaalsContact O-CD2 3.26Å; K306-Y310 WeakPolarHBondContact O-CD2 3.34Å; K306-Y310 PolarHBondContact O-N 3.29Å; A307-Y310 PolarHBondContact O-N 3.41Å; V308-Y310 PolarHBondContact O-N 3.49Å; Y310-A314 PolarHBondContact O-N 3.11Å; Y310-A314 VanDerWaalsContact O-N 3.12Å |
| 311 | Y | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -67.3 | -37.6 | 174.1 | -63.1 | -34.4 | 0 | 0 | 0 | 112.3 | Y288 L292 E295 A307 V308 L309 A314 A315 R325 | Y288-Y311 AromaticContact CD2-CD1 3.94Å; Y288-Y311 HydrophobicContact CD2-CD1 3.94Å; Y288-Y311 AromaticContact CD2-CE1 3.83Å; Y288-Y311 HydrophobicContact CD2-CE1 3.83Å; Y288-Y311 HydrophobicContact CE2-CD1 4.48Å; Y288-Y311 HydrophobicContact CE2-CE1 4.08Å; L292-Y311 WeakPolarHBondContact CA-OH 3.05Å; L292-Y311 WeakPolarHBondContact CD2-OH 3.22Å; L292-Y311 HydrophobicContact CG-CE1 4.44Å; L292-Y311 PolarHBondContact N-OH 3.16Å; E295-Y311 WeakPolarHBondContact OE2-CE2 3.46Å; E295-Y311 PolarHBondContact OE2-OH 3.17Å; A307-Y311 HydrophobicContact CB-CE2 4.16Å; A307-Y311 WeakPolarHBondContact O-CD2 3.42Å; A307-Y311 PolarHBondContact O-N 2.81Å; V308-Y311 PolarHBondContact O-N 3Å; L309-Y311 PolarHBondContact O-N 3.1Å; Y311-A314 PolarHBondContact O-N 3.32Å; Y311-A315 WeakPolarHBondContact O-CB 3.07Å; Y311-A315 PolarHBondContact O-N 3.31Å; Y311-R325 HydrophobicContact CD1-CB 4.25Å; Y311-R325 HydrophobicContact CD2-CB 3.77Å; Y311-R325 HydrophobicContact CE1-CB 4.29Å; Y311-R325 HydrophobicContact CE2-CB 3.81Å; Y311-R325 HydrophobicContact CG-CB 4.01Å |
| 312 | Q | 96.1 | Very high | 95.1 | Very high | 86 Ų | 86 | 58.1 Ų | 58.1 | 40% | 0.402 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.9 | -45 | 175.4 | -169.6 | 177.6 | -3.3 | 0 | 0 | 111.8 | V308 L309 A314 A315 S316 Y326 | V308-Q312 WeakPolarHBondContact O-CB 3.27Å; V308-Q312 PolarHBondContact O-N 2.82Å; L309-Q312 WeakPolarHBondContact O-CB 3.29Å; L309-Q312 PolarHBondContact O-N 2.86Å; Q312-A314 PolarHBondContact O-N 3.38Å; Q312-A315 PolarHBondContact O-N 3.28Å; Q312-S316 PolarHBondContact O-N 3.04Å; Q312-S316 PolarHBondContact O-OG 2.86Å; Q312-Y326 HydrophobicContact CB-CD2 3.77Å; Q312-Y326 HydrophobicContact CB-CE2 3.63Å; Q312-Y326 HydrophobicContact CB-CG 4.47Å; Q312-Y326 HydrophobicContact CG-CD2 4.31Å; Q312-Y326 HydrophobicContact CG-CE1 4.43Å; Q312-Y326 HydrophobicContact CG-CE2 3.76Å |
| 313 | L | 97.2 | Very high | 95 | Very high | 88 Ų | 88 | 52.9 Ų | 52.9 | 46% | 0.461 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 177.1 | -70.9 | 170.2 | 0 | 0 | 0 | 113 | Q287 L309 S316 Q317 | Q287-L313 PolarHBondContact OE1-O 3Å; L309-L313 WeakPolarHBondContact O-CG 3.4Å; L309-L313 PolarHBondContact O-N 3.2Å; L313-S316 PolarHBondContact O-OG 3.34Å; L313-Q317 PolarHBondContact O-NE2 3.37Å |
| 314 | A | 97.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -75.3 | -34.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S284 Q287 Y310 Y311 Q312 Q317 H319 A322 | S284-A314 VanDerWaalsContact O-CB 3.29Å; S284-A314 WeakPolarHBondContact O-CB 3.47Å; Q287-A314 HydrophobicContact CB-CB 3.98Å; Y310-A314 PolarHBondContact O-N 3.11Å; Y310-A314 VanDerWaalsContact O-N 3.12Å; Y311-A314 PolarHBondContact O-N 3.32Å; Q312-A314 PolarHBondContact O-N 3.38Å; A314-Q317 PolarHBondContact O-N 3.3Å; A314-H319 HydrophobicContact CB-CB 4.13Å; A314-H319 WeakPolarHBondContact O-CB 3.3Å; A314-H319 PolarHBondContact O-N 2.94Å; A314-H319 VanDerWaalsContact O-N 3.08Å; A314-A322 HydrophobicContact CB-CB 3.44Å; A314-A322 VanDerWaalsContact CB-CB 3.44Å |
| 315 | A | 95.2 | Very high | 95 | Very high | 10 Ų | 10 | 50.2 Ų | 50.2 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.2 | -38.1 | -179 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y311 Q312 Q317 G318 A322 Q323 | Y311-A315 WeakPolarHBondContact O-CB 3.07Å; Y311-A315 PolarHBondContact O-N 3.31Å; Q312-A315 PolarHBondContact O-N 3.28Å; A315-Q317 PolarHBondContact O-N 2.96Å; A315-G318 PolarHBondContact O-N 2.76Å; A315-A322 HydrophobicContact CB-CB 4.43Å; A315-Q323 HydrophobicContact CB-CB 4.32Å; A315-Q323 HydrophobicContact CB-CG 3.66Å; A315-Q323 PolarHBondContact O-NE2 3.43Å; A315-Q323 VanDerWaalsContact O-NE2 3.14Å |
| 316 | S | 95.6 | Very high | 95 | Very high | 99 Ų | 99 | 48 Ų | 48 | 69% | 0.692 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -64.7 | -25.8 | 174.8 | 61.9 | 0 | 0 | 0 | 0 | 112.6 | Q312 L313 G318 | Q312-S316 PolarHBondContact O-N 3.04Å; Q312-S316 PolarHBondContact O-OG 2.86Å; L313-S316 PolarHBondContact O-OG 3.34Å; S316-G318 VanDerWaalsContact C-N 3.3Å |
| 317 | Q | 94.4 | Very high | 94.9 | Very high | 99 Ų | 99 | 43.1 Ų | 43.1 | 46% | 0.463 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 10.1 | 171.9 | -63.4 | -177.5 | 58.7 | 0 | 0 | 114.1 | G282 L313 A314 A315 | G282-Q317 PolarHBondContact O-NE2 3.21Å; G282-Q317 PolarHBondContact O-OE1 3.32Å; G282-Q317 VanDerWaalsContact O-OE1 3.04Å; L313-Q317 PolarHBondContact O-NE2 3.37Å; A314-Q317 PolarHBondContact O-N 3.3Å; A315-Q317 PolarHBondContact O-N 2.96Å |
| 318 | G | 91.1 | Very high | 94.7 | Very high | 49 Ų | 49 | 45.6 Ų | 45.6 | 51% | 0.505 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 10.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | A315 S316 S320 | A315-G318 PolarHBondContact O-N 2.76Å; S316-G318 VanDerWaalsContact C-N 3.3Å; G318-S320 PolarHBondContact O-N 3.33Å |
| 319 | H | 93.4 | Very high | 94.4 | Very high | 31 Ų | 31 | 45.2 Ų | 45.2 | 14% | 0.144 | 25% | 0.247 | C | C | . | . | trans | -72.5 | 101.8 | -179.5 | -170.6 | -88.6 | 0 | 0 | 0 | 111.3 | Y288 A314 L321 A322 Q323 | Y288-H319 AromaticContact CD1-CE1 3.59Å; Y288-H319 AromaticContact CD2-CE1 3.9Å; Y288-H319 AromaticContact CG-CE1 3.38Å; Y288-H319 AromaticContact CG-ND1 3.82Å; A314-H319 HydrophobicContact CB-CB 4.13Å; A314-H319 WeakPolarHBondContact O-CB 3.3Å; A314-H319 PolarHBondContact O-N 2.94Å; A314-H319 VanDerWaalsContact O-N 3.08Å; H319-L321 PolarHBondContact O-N 2.99Å; H319-A322 HydrophobicContact CB-CB 4.03Å; H319-A322 PolarHBondContact ND1-N 3.46Å; H319-A322 WeakPolarHBondContact O-CA 3.41Å; H319-A322 WeakPolarHBondContact O-CB 3.41Å; H319-A322 PolarHBondContact O-N 3.03Å; H319-Q323 PolarHBondContact O-N 3.25Å | ||
| 320 | S | 90.8 | Very high | 94 | Very high | 76 Ų | 76 | 42.7 Ų | 42.7 | 53% | 0.531 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -53.5 | -44.3 | -170.3 | 58.3 | 0 | 0 | 0 | 0 | 115.2 | G318 A322 Q323 Y324 | G318-S320 PolarHBondContact O-N 3.33Å; S320-A322 VanDerWaalsContact C-N 3.26Å; S320-A322 PolarHBondContact O-N 2.79Å; S320-Q323 WeakPolarHBondContact O-CB 3.37Å; S320-Q323 PolarHBondContact O-N 2.63Å; S320-Y324 PolarHBondContact O-N 2.9Å |
| 321 | L | 92.1 | Very high | 93.5 | Very high | 42 Ų | 42 | 40.5 Ų | 40.5 | 22% | 0.22 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.2 | -30.6 | 175.9 | -70.1 | 174.5 | 0 | 0 | 0 | 112.6 | Y288 H319 R325 L357 | Y288-L321 HydrophobicContact CD2-CB 4.31Å; Y288-L321 HydrophobicContact CE1-CB 4.36Å; Y288-L321 HydrophobicContact CE1-CD1 4.21Å; Y288-L321 HydrophobicContact CE2-CB 3.72Å; H319-L321 PolarHBondContact O-N 2.99Å; L321-R325 WeakPolarHBondContact O-CG 3.18Å; L321-R325 PolarHBondContact O-N 3.28Å; L321-L357 HydrophobicContact CD2-CD1 3.52Å; L321-L357 HydrophobicContact CD2-CD2 3.84Å; L321-L357 HydrophobicContact CD2-CG 4.36Å |
| 322 | A | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -77.5 | -39 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | Y288 A314 A315 H319 S320 Y324 R325 Y326 | Y288-A322 HydrophobicContact CD2-CB 3.86Å; A314-A322 HydrophobicContact CB-CB 3.44Å; A314-A322 VanDerWaalsContact CB-CB 3.44Å; A315-A322 HydrophobicContact CB-CB 4.43Å; H319-A322 HydrophobicContact CB-CB 4.03Å; H319-A322 PolarHBondContact ND1-N 3.46Å; H319-A322 WeakPolarHBondContact O-CA 3.41Å; H319-A322 WeakPolarHBondContact O-CB 3.41Å; H319-A322 PolarHBondContact O-N 3.03Å; S320-A322 VanDerWaalsContact C-N 3.26Å; S320-A322 PolarHBondContact O-N 2.79Å; A322-Y324 VanDerWaalsContact C-N 3.33Å; A322-Y324 PolarHBondContact O-N 3.01Å; A322-R325 PolarHBondContact O-N 3.09Å; A322-Y326 WeakPolarHBondContact O-CB 3.31Å; A322-Y326 PolarHBondContact O-N 3.17Å |
| 323 | Q | 93.8 | Very high | 91.4 | Very high | 59 Ų | 59 | 49.9 Ų | 49.9 | 28% | 0.276 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -55.9 | -47.8 | 170.8 | -69.6 | 175.9 | -17.4 | 0 | 0 | 111.2 | A315 H319 S320 A327 M348 | A315-Q323 HydrophobicContact CB-CB 4.32Å; A315-Q323 HydrophobicContact CB-CG 3.66Å; A315-Q323 PolarHBondContact O-NE2 3.43Å; A315-Q323 VanDerWaalsContact O-NE2 3.14Å; H319-Q323 PolarHBondContact O-N 3.25Å; S320-Q323 WeakPolarHBondContact O-CB 3.37Å; S320-Q323 PolarHBondContact O-N 2.63Å; Q323-A327 VanDerWaalsContact O-CB 3.23Å; Q323-A327 WeakPolarHBondContact O-CB 3.26Å; Q323-A327 PolarHBondContact O-N 3.42Å; Q323-M348 HydrophobicContact CB-CE 3.71Å; Q323-M348 HydrophobicContact CG-CE 4.09Å |
| 324 | Y | 94.3 | Very high | 89.7 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.3 | -50.5 | 173.3 | 161.8 | -119.7 | 0 | 0 | 0 | 112.2 | S320 A322 A327 R328 V349 L357 E359 A360 F363 | S320-Y324 PolarHBondContact O-N 2.9Å; A322-Y324 VanDerWaalsContact C-N 3.33Å; A322-Y324 PolarHBondContact O-N 3.01Å; Y324-A327 PolarHBondContact O-N 3.09Å; Y324-R328 HydrophobicContact CE2-CB 4.21Å; Y324-R328 HydrophobicContact CE2-CG 4.47Å; Y324-R328 VanDerWaalsContact O-CB 3.29Å; Y324-R328 WeakPolarHBondContact O-CB 3.43Å; Y324-R328 PolarHBondContact O-N 2.94Å; Y324-R328 WeakPolarHBondContact OH-CD 3.49Å; Y324-V349 HydrophobicContact CD2-CG1 4.27Å; Y324-V349 HydrophobicContact CD2-CG2 4.26Å; Y324-V349 HydrophobicContact CE2-CG1 4.3Å; Y324-L357 HydrophobicContact CD1-CD2 3.6Å; Y324-L357 HydrophobicContact CE1-CD2 4.31Å; Y324-L357 HydrophobicContact CG-CD2 3.73Å; Y324-E359 HydrophobicContact CE1-CB 3.66Å; Y324-E359 PolarHBondContact OH-O 3.35Å; Y324-A360 HydrophobicContact CD2-CB 3.7Å; Y324-A360 HydrophobicContact CE2-CB 3.79Å; Y324-A360 HydrophobicContact CG-CB 4.29Å; Y324-F363 HydrophobicContact CE2-CB 4.21Å; Y324-F363 HydrophobicContact CE2-CD1 4.39Å; Y324-F363 HydrophobicContact CE2-CG 4.48Å |
| 325 | R | 94.8 | Very high | 87.7 | Confident | 30 Ų | 30 | 51.3 Ų | 51.3 | 11% | 0.113 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.8 | -39.4 | -176.6 | -71.8 | -127.2 | 178 | -167.5 | 2.6 | 113.3 | Y288 E295 Y311 L321 A322 R328 C329 | Y288-R325 HydrophobicContact CE2-CG 4.19Å; E295-R325 IonicContact OE1-NH1 2.88Å; E295-R325 PolarHBondContact OE1-NH1 2.98Å; E295-R325 IonicContact OE2-CZ 3.83Å; E295-R325 IonicContact OE2-NH1 2.8Å; E295-R325 PolarHBondContact OE2-NH1 3.43Å; Y311-R325 HydrophobicContact CD1-CB 4.25Å; Y311-R325 HydrophobicContact CD2-CB 3.77Å; Y311-R325 HydrophobicContact CE1-CB 4.29Å; Y311-R325 HydrophobicContact CE2-CB 3.81Å; Y311-R325 HydrophobicContact CG-CB 4.01Å; L321-R325 WeakPolarHBondContact O-CG 3.18Å; L321-R325 PolarHBondContact O-N 3.28Å; A322-R325 PolarHBondContact O-N 3.09Å; R325-R328 PolarHBondContact O-N 3.05Å; R325-C329 PolarHBondContact O-N 3.39Å; R325-C329 PolarHBondContact O-SG 2.98Å |
| 326 | Y | 93.9 | Very high | 85.8 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.4 | -51.7 | 172.7 | 177.8 | -112.5 | 0 | 0 | 0 | 111.1 | V308 Q312 A322 R328 C329 L330 | V308-Y326 HydrophobicContact CG1-CD2 4.01Å; V308-Y326 HydrophobicContact CG1-CE2 3.91Å; Q312-Y326 HydrophobicContact CB-CD2 3.77Å; Q312-Y326 HydrophobicContact CB-CE2 3.63Å; Q312-Y326 HydrophobicContact CB-CG 4.47Å; Q312-Y326 HydrophobicContact CG-CD2 4.31Å; Q312-Y326 HydrophobicContact CG-CE1 4.43Å; Q312-Y326 HydrophobicContact CG-CE2 3.76Å; A322-Y326 WeakPolarHBondContact O-CB 3.31Å; A322-Y326 PolarHBondContact O-N 3.17Å; Y326-R328 VanDerWaalsContact C-N 3.3Å; Y326-R328 PolarHBondContact O-N 3.38Å; Y326-C329 WeakPolarHBondContact O-CB 3.26Å; Y326-C329 PolarHBondContact O-N 3.19Å; Y326-L330 HydrophobicContact CD1-CD1 4.19Å; Y326-L330 HydrophobicContact CE1-CD1 3.67Å; Y326-L330 HydrophobicContact CE1-CG 4.39Å; Y326-L330 HydrophobicContact CE2-CD2 4.47Å; Y326-L330 PolarHBondContact O-N 3.28Å |
| 327 | A | 93.8 | Very high | 84 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.9 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q323 Y324 C329 L330 L331 A345 M348 V349 | Q323-A327 VanDerWaalsContact O-CB 3.23Å; Q323-A327 WeakPolarHBondContact O-CB 3.26Å; Q323-A327 PolarHBondContact O-N 3.42Å; Y324-A327 PolarHBondContact O-N 3.09Å; A327-C329 VanDerWaalsContact C-N 3.31Å; A327-C329 PolarHBondContact O-N 3.29Å; A327-L330 PolarHBondContact O-N 3.06Å; A327-L331 VanDerWaalsContact O-CG 3.29Å; A327-L331 WeakPolarHBondContact O-CG 3.46Å; A327-L331 PolarHBondContact O-N 2.92Å; A327-L331 VanDerWaalsContact O-N 3.17Å; A327-A345 HydrophobicContact CB-CB 3.91Å; A327-M348 HydrophobicContact CB-CB 3.97Å; A327-M348 HydrophobicContact CB-CE 4.43Å; A327-M348 HydrophobicContact CB-SD 4.41Å; A327-V349 HydrophobicContact CB-CG2 3.74Å |
| 328 | R | 92.1 | Very high | 82.6 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 20% | 0.204 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 174.3 | -168.7 | -174 | 68.8 | 167.1 | 4.7 | 112.5 | E295 Y324 R325 Y326 L331 R332 F363 | E295-R328 IonicContact OE1-CZ 3.92Å; E295-R328 IonicContact OE1-NH2 2.74Å; E295-R328 PolarHBondContact OE1-NH2 3.34Å; E295-R328 IonicContact OE2-NH2 3.41Å; E295-R328 PolarHBondContact OE2-NH2 3.09Å; Y324-R328 HydrophobicContact CE2-CB 4.21Å; Y324-R328 HydrophobicContact CE2-CG 4.47Å; Y324-R328 VanDerWaalsContact O-CB 3.29Å; Y324-R328 WeakPolarHBondContact O-CB 3.43Å; Y324-R328 PolarHBondContact O-N 2.94Å; Y324-R328 WeakPolarHBondContact OH-CD 3.49Å; R325-R328 PolarHBondContact O-N 3.05Å; Y326-R328 VanDerWaalsContact C-N 3.3Å; Y326-R328 PolarHBondContact O-N 3.38Å; R328-L331 PolarHBondContact O-N 3.28Å; R328-R332 PolarHBondContact O-N 3.31Å; R328-F363 HydrophobicContact CB-CE1 4.41Å; R328-F363 HydrophobicContact CG-CD1 4.04Å; R328-F363 HydrophobicContact CG-CD2 3.74Å; R328-F363 HydrophobicContact CG-CE1 3.91Å; R328-F363 HydrophobicContact CG-CE2 3.59Å; R328-F363 HydrophobicContact CG-CG 3.97Å; R328-F363 HydrophobicContact CG-CZ 3.68Å |
| 329 | C | 89.6 | Confident | 82 | Confident | 25 Ų | 25 | 58.2 Ų | 58.2 | 17% | 0.169 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.9 | -42.5 | 174.6 | -72.1 | 0 | 0 | 0 | 0 | 112.1 | V308 R325 Y326 A327 L331 R332 | V308-C329 HydrophobicContact CG2-CB 3.58Å; R325-C329 PolarHBondContact O-N 3.39Å; R325-C329 PolarHBondContact O-SG 2.98Å; Y326-C329 WeakPolarHBondContact O-CB 3.26Å; Y326-C329 PolarHBondContact O-N 3.19Å; A327-C329 VanDerWaalsContact C-N 3.31Å; A327-C329 PolarHBondContact O-N 3.29Å; C329-L331 PolarHBondContact O-N 3.13Å; C329-R332 WeakPolarHBondContact O-CB 3.34Å; C329-R332 PolarHBondContact O-N 2.89Å; C329-R332 VanDerWaalsContact O-N 3.13Å |
| 330 | L | 88.8 | Confident | 81.5 | Confident | 48 Ų | 48 | 60.8 Ų | 60.8 | 25% | 0.251 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.6 | -21.9 | 174.1 | -64.1 | 178.1 | 0 | 0 | 0 | 113.6 | Y326 A327 A345 | Y326-L330 HydrophobicContact CD1-CD1 4.19Å; Y326-L330 HydrophobicContact CE1-CD1 3.67Å; Y326-L330 HydrophobicContact CE1-CG 4.39Å; Y326-L330 HydrophobicContact CE2-CD2 4.47Å; Y326-L330 PolarHBondContact O-N 3.28Å; A327-L330 PolarHBondContact O-N 3.06Å; L330-A345 HydrophobicContact CB-CB 4.03Å; L330-A345 HydrophobicContact CD1-CB 4.18Å |
| 331 | L | 88.2 | Confident | 81.2 | Confident | 8 Ų | 8 | 62.9 Ų | 62.9 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | 2.6 | 179.3 | -64.4 | 171.2 | 0 | 0 | 0 | 113.7 | A327 R328 C329 Q342 A345 V346 V349 F363 L367 Y373 | A327-L331 VanDerWaalsContact O-CG 3.29Å; A327-L331 WeakPolarHBondContact O-CG 3.46Å; A327-L331 PolarHBondContact O-N 2.92Å; A327-L331 VanDerWaalsContact O-N 3.17Å; R328-L331 PolarHBondContact O-N 3.28Å; C329-L331 PolarHBondContact O-N 3.13Å; L331-Q342 HydrophobicContact CD2-CB 4.11Å; L331-Q342 HydrophobicContact CD2-CG 4.38Å; L331-A345 HydrophobicContact CD1-CB 3.98Å; L331-A345 HydrophobicContact CD2-CB 4.06Å; L331-A345 HydrophobicContact CG-CB 3.78Å; L331-V346 HydrophobicContact CD1-CG2 3.94Å; L331-V346 HydrophobicContact CD2-CG2 3.69Å; L331-V346 HydrophobicContact CG-CG2 4.49Å; L331-V349 HydrophobicContact CD1-CG2 4.06Å; L331-F363 HydrophobicContact CB-CE1 4.32Å; L331-F363 HydrophobicContact CB-CZ 4.03Å; L331-F363 HydrophobicContact CD1-CE1 3.98Å; L331-L367 HydrophobicContact CD1-CD2 4.15Å; L331-Y373 WeakPolarHBondContact CD2-OH 3.37Å |
| 332 | R | 79.8 | Confident | 80.9 | Confident | 157 Ų | 157 | 61.4 Ų | 61.4 | 59% | 0.592 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -43.1 | -177.9 | -168.4 | 179.4 | -170.6 | -158.5 | -1.8 | 111.8 | R328 C329 P334 | R328-R332 PolarHBondContact O-N 3.31Å; C329-R332 WeakPolarHBondContact O-CB 3.34Å; C329-R332 PolarHBondContact O-N 2.89Å; C329-R332 VanDerWaalsContact O-N 3.13Å; R332-P334 WeakPolarHBondContact O-CD 3.46Å |
| 333 | D | 68.6 | Low | 80.5 | Confident | 125 Ų | 125 | 66.4 Ų | 66.4 | 67% | 0.668 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -109.2 | 101 | 178.4 | -58.6 | -41.4 | 0 | 0 | 0 | 108 | A335 | D333-A335 PolarHBondContact O-N 3.37Š|
| 334 | P | 60.8 | Low | 80.3 | Confident | 73 Ų | 73 | 72 Ų | 72 | 47% | 0.474 | 37% | 0.366 | S | S | . | . | trans | -68.1 | 99.3 | 172.9 | 27.9 | -32 | 0 | 0 | 0 | 108.3 | R332 S336 | R332-P334 WeakPolarHBondContact O-CD 3.46Å; P334-S336 PolarHBondContact O-N 3.37Å | ||
| 335 | A | 56.5 | Low | 80.2 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 37% | 0.372 | 36% | 0.364 | S | S | . | . | trans | -50.6 | 141.1 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | D333 S337 | D333-A335 PolarHBondContact O-N 3.37Å; A335-S337 PolarHBondContact O-N 3.32Å | ||
| 336 | S | 55.9 | Low | 80.1 | Confident | 142 Ų | 142 | 70.8 Ų | 70.8 | 99% | 0.993 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -60.7 | -19.9 | -177.3 | -153.1 | 0 | 0 | 0 | 0 | 112.9 | P334 | P334-S336 PolarHBondContact O-N 3.37Š|
| 337 | S | 56.8 | Low | 80.1 | Confident | 68 Ų | 68 | 72.4 Ų | 72.4 | 48% | 0.476 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -98.8 | 133.6 | 169.8 | 61.1 | 0 | 0 | 0 | 0 | 111.8 | A335 N339 | A335-S337 PolarHBondContact O-N 3.32Å; S337-N339 WeakPolarHBondContact CB-OD1 3.31Å; S337-N339 PolarHBondContact O-N 2.93Å; S337-N339 VanDerWaalsContact O-N 3.09Å; S337-N339 PolarHBondContact O-OD1 3.26Å; S337-N339 VanDerWaalsContact O-OD1 3.09Å; S337-N339 PolarHBondContact OG-OD1 2.99Å |
| 338 | W | 65.6 | Low | 80.1 | Confident | 133 Ų | 133 | 75 Ų | 75 | 50% | 0.504 | 39% | 0.393 | S | S | . | . | trans | -71.1 | 99.2 | 174.5 | -177.1 | -88.6 | 0 | 0 | 0 | 110.6 | Q343 P372 Y373 | W338-Q343 HydrophobicContact CZ2-CG 3.98Å; W338-Q343 VanDerWaalsContact NE1-CD 3.28Å; W338-P372 HydrophobicContact CE3-CB 4.44Å; W338-P372 HydrophobicContact CE3-CG 4.14Å; W338-P372 HydrophobicContact CZ3-CB 4.28Å; W338-P372 HydrophobicContact CZ3-CG 4.01Å; W338-Y373 HydrophobicContact CE3-CE1 4.39Å; W338-Y373 AromaticContact CH2-CD1 3.77Å; W338-Y373 HydrophobicContact CH2-CD1 3.77Å; W338-Y373 AromaticContact CH2-CE1 3.59Å; W338-Y373 HydrophobicContact CH2-CE1 3.59Å; W338-Y373 AromaticContact CZ3-CD1 3.76Å; W338-Y373 HydrophobicContact CZ3-CD1 3.76Å; W338-Y373 AromaticContact CZ3-CE1 3.47Å; W338-Y373 HydrophobicContact CZ3-CE1 3.47Å; W338-Y373 VanDerWaalsContact CZ3-CE1 3.47Å | ||
| 339 | N | 78.3 | Confident | 80.2 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 32% | 0.321 | 38% | 0.383 | S | S | . | . | trans | -93.6 | 144.4 | -170.3 | -67.7 | -11.2 | 0 | 0 | 0 | 112.1 | S337 E341 Q342 Q343 | S337-N339 WeakPolarHBondContact CB-OD1 3.31Å; S337-N339 PolarHBondContact O-N 2.93Å; S337-N339 VanDerWaalsContact O-N 3.09Å; S337-N339 PolarHBondContact O-OD1 3.26Å; S337-N339 VanDerWaalsContact O-OD1 3.09Å; S337-N339 PolarHBondContact OG-OD1 2.99Å; N339-E341 PolarHBondContact O-N 3.17Å; N339-E341 VanDerWaalsContact O-N 3.1Å; N339-Q342 WeakPolarHBondContact O-CB 3.36Å; N339-Q342 PolarHBondContact O-N 3.42Å; N339-Q343 PolarHBondContact O-N 3.36Å | ||
| 340 | P | 83.3 | Confident | 80.5 | Confident | 84 Ų | 84 | 74.2 Ų | 74.2 | 55% | 0.545 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -55.8 | -29.6 | 177.5 | -27.8 | 35.5 | 0 | 0 | 0 | 114.3 | Q343 R344 | P340-Q343 PolarHBondContact O-N 2.88Å; P340-R344 WeakPolarHBondContact O-CG 3.43Å; P340-R344 PolarHBondContact O-N 3.41Å |
| 341 | E | 83.6 | Confident | 80.7 | Confident | 120 Ų | 120 | 78.5 Ų | 78.5 | 56% | 0.561 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -67 | -36.6 | 174.6 | -63.3 | -168.2 | 149.1 | 0 | 0 | 112.9 | N339 R344 A345 | N339-E341 PolarHBondContact O-N 3.17Å; N339-E341 VanDerWaalsContact O-N 3.1Å; E341-R344 PolarHBondContact O-N 3.27Å; E341-A345 WeakPolarHBondContact O-CB 3.4Å; E341-A345 PolarHBondContact O-N 3.08Å |
| 342 | Q | 85.3 | Confident | 80.9 | Confident | 11 Ų | 11 | 78.7 Ų | 78.7 | 5% | 0.051 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -67.1 | -40.1 | 174.2 | -70.7 | 172.7 | -23.2 | 0 | 0 | 110.9 | L331 N339 R344 A345 V346 | L331-Q342 HydrophobicContact CD2-CB 4.11Å; L331-Q342 HydrophobicContact CD2-CG 4.38Å; N339-Q342 WeakPolarHBondContact O-CB 3.36Å; N339-Q342 PolarHBondContact O-N 3.42Å; Q342-R344 VanDerWaalsContact C-N 3.34Å; Q342-R344 PolarHBondContact O-N 3.1Å; Q342-A345 PolarHBondContact O-N 3.22Å; Q342-V346 WeakPolarHBondContact O-CG2 3.45Å; Q342-V346 PolarHBondContact O-N 3.48Å |
| 343 | Q | 87.1 | Confident | 81.6 | Confident | 105 Ų | 105 | 71.2 Ų | 71.2 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 173.2 | -69.4 | -177.2 | -46.7 | 0 | 0 | 111.9 | W338 N339 P340 V346 S347 | W338-Q343 HydrophobicContact CZ2-CG 3.98Å; W338-Q343 VanDerWaalsContact NE1-CD 3.28Å; N339-Q343 PolarHBondContact O-N 3.36Å; P340-Q343 PolarHBondContact O-N 2.88Å; Q343-V346 PolarHBondContact O-N 3.43Å; Q343-S347 PolarHBondContact O-N 2.88Å |
| 344 | R | 89.6 | Confident | 82.7 | Confident | 176 Ų | 176 | 70.1 Ų | 70.1 | 66% | 0.664 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -60.6 | -45.3 | 173.9 | -71.4 | 174 | -178.3 | 179.4 | 1.1 | 111.1 | P340 E341 Q342 S347 M348 | P340-R344 WeakPolarHBondContact O-CG 3.43Å; P340-R344 PolarHBondContact O-N 3.41Å; E341-R344 PolarHBondContact O-N 3.27Å; Q342-R344 VanDerWaalsContact C-N 3.34Å; Q342-R344 PolarHBondContact O-N 3.1Å; R344-S347 WeakPolarHBondContact O-CB 3.18Å; R344-S347 PolarHBondContact O-N 3.38Å; R344-S347 VanDerWaalsContact O-N 3.13Å; R344-M348 WeakPolarHBondContact O-CG 3.21Å; R344-M348 PolarHBondContact O-N 3.28Å |
| 345 | A | 92.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A327 L330 L331 E341 Q342 S347 M348 V349 | A327-A345 HydrophobicContact CB-CB 3.91Å; L330-A345 HydrophobicContact CB-CB 4.03Å; L330-A345 HydrophobicContact CD1-CB 4.18Å; L331-A345 HydrophobicContact CD1-CB 3.98Å; L331-A345 HydrophobicContact CD2-CB 4.06Å; L331-A345 HydrophobicContact CG-CB 3.78Å; E341-A345 WeakPolarHBondContact O-CB 3.4Å; E341-A345 PolarHBondContact O-N 3.08Å; Q342-A345 PolarHBondContact O-N 3.22Å; A345-S347 VanDerWaalsContact C-N 3.26Å; A345-S347 PolarHBondContact O-N 3.46Å; A345-M348 PolarHBondContact O-N 3.43Å; A345-V349 WeakPolarHBondContact O-CG2 3.43Å; A345-V349 PolarHBondContact O-N 3.36Å |
| 346 | V | 92.8 | Very high | 85.6 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.5 | -40.1 | 174.2 | 172.7 | 0 | 0 | 0 | 0 | 111 | L331 Q342 Q343 K350 L367 Y373 | L331-V346 HydrophobicContact CD1-CG2 3.94Å; L331-V346 HydrophobicContact CD2-CG2 3.69Å; L331-V346 HydrophobicContact CG-CG2 4.49Å; Q342-V346 WeakPolarHBondContact O-CG2 3.45Å; Q342-V346 PolarHBondContact O-N 3.48Å; Q343-V346 PolarHBondContact O-N 3.43Å; V346-K350 HydrophobicContact CG1-CD 4.12Å; V346-K350 WeakPolarHBondContact O-CB 3.46Å; V346-K350 VanDerWaalsContact O-CG 3.3Å; V346-K350 WeakPolarHBondContact O-CG 3.49Å; V346-K350 PolarHBondContact O-N 3.01Å; V346-L367 HydrophobicContact CG2-CD2 4.15Å; V346-Y373 HydrophobicContact CG2-CD1 4.13Å; V346-Y373 HydrophobicContact CG2-CE1 3.7Å |
| 347 | S | 93 | Very high | 87.3 | Confident | 73 Ų | 73 | 65.6 Ų | 65.6 | 51% | 0.51 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -64.4 | -44.7 | 176.3 | -161.1 | 0 | 0 | 0 | 0 | 112.5 | Q343 R344 A345 V349 K350 Q351 | Q343-S347 PolarHBondContact O-N 2.88Å; R344-S347 WeakPolarHBondContact O-CB 3.18Å; R344-S347 PolarHBondContact O-N 3.38Å; R344-S347 VanDerWaalsContact O-N 3.13Å; A345-S347 VanDerWaalsContact C-N 3.26Å; A345-S347 PolarHBondContact O-N 3.46Å; S347-V349 PolarHBondContact O-N 3.43Å; S347-K350 WeakPolarHBondContact O-CB 3.43Å; S347-K350 PolarHBondContact O-N 3Å; S347-Q351 PolarHBondContact O-N 2.89Å |
| 348 | M | 93.6 | Very high | 89.1 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 28% | 0.276 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 176.5 | -69.1 | 170.1 | 68.7 | 0 | 0 | 112.1 | Q323 A327 R344 A345 Q351 A352 | Q323-M348 HydrophobicContact CB-CE 3.71Å; Q323-M348 HydrophobicContact CG-CE 4.09Å; A327-M348 HydrophobicContact CB-CB 3.97Å; A327-M348 HydrophobicContact CB-CE 4.43Å; A327-M348 HydrophobicContact CB-SD 4.41Å; R344-M348 WeakPolarHBondContact O-CG 3.21Å; R344-M348 PolarHBondContact O-N 3.28Å; A345-M348 PolarHBondContact O-N 3.43Å; M348-Q351 PolarHBondContact O-N 3.33Å; M348-A352 PolarHBondContact O-N 2.59Å |
| 349 | V | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.8 | -40.8 | 175.9 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | Y324 A327 L331 A345 S347 A352 A353 A360 F363 L364 | Y324-V349 HydrophobicContact CD2-CG1 4.27Å; Y324-V349 HydrophobicContact CD2-CG2 4.26Å; Y324-V349 HydrophobicContact CE2-CG1 4.3Å; A327-V349 HydrophobicContact CB-CG2 3.74Å; L331-V349 HydrophobicContact CD1-CG2 4.06Å; A345-V349 WeakPolarHBondContact O-CG2 3.43Å; A345-V349 PolarHBondContact O-N 3.36Å; S347-V349 PolarHBondContact O-N 3.43Å; V349-A352 PolarHBondContact O-N 3.25Å; V349-A353 WeakPolarHBondContact O-CB 3.46Å; V349-A353 PolarHBondContact O-N 2.97Å; V349-A360 HydrophobicContact CG1-CB 4.1Å; V349-F363 HydrophobicContact CG1-CD1 3.82Å; V349-F363 HydrophobicContact CG1-CE1 4.42Å; V349-F363 HydrophobicContact CG2-CD1 4.44Å; V349-F363 HydrophobicContact CG2-CE1 4.42Å; V349-L364 HydrophobicContact CB-CD2 4.14Å; V349-L364 HydrophobicContact CB-CG 4.48Å; V349-L364 HydrophobicContact CG1-CD1 4.05Å; V349-L364 HydrophobicContact CG1-CD2 3.6Å; V349-L364 HydrophobicContact CG1-CG 3.52Å |
| 350 | K | 94.9 | Very high | 91.2 | Very high | 62 Ų | 62 | 58.6 Ų | 58.6 | 27% | 0.27 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -56.8 | -50.5 | 172.8 | -77.3 | 170 | 179.2 | 173 | 0 | 111.5 | V346 S347 A352 A353 D354 L364 | V346-K350 HydrophobicContact CG1-CD 4.12Å; V346-K350 WeakPolarHBondContact O-CB 3.46Å; V346-K350 VanDerWaalsContact O-CG 3.3Å; V346-K350 WeakPolarHBondContact O-CG 3.49Å; V346-K350 PolarHBondContact O-N 3.01Å; S347-K350 WeakPolarHBondContact O-CB 3.43Å; S347-K350 PolarHBondContact O-N 3Å; K350-A352 VanDerWaalsContact C-N 3.29Å; K350-A352 PolarHBondContact O-N 2.85Å; K350-A353 PolarHBondContact O-N 2.8Å; K350-A353 VanDerWaalsContact O-N 3.08Å; K350-D354 WeakPolarHBondContact O-CB 3.28Å; K350-D354 PolarHBondContact O-N 2.88Å; K350-L364 HydrophobicContact CB-CD1 4.44Å; K350-L364 HydrophobicContact CG-CD1 3.92Å; K350-L364 HydrophobicContact CG-CD2 4.4Å |
| 351 | Q | 92.9 | Very high | 91.8 | Very high | 137 Ų | 137 | 55 Ų | 55 | 64% | 0.64 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -56.7 | -42.1 | 177.5 | -172.4 | 179.4 | 5.7 | 0 | 0 | 112.3 | S347 M348 S355 | S347-Q351 PolarHBondContact O-N 2.89Å; M348-Q351 PolarHBondContact O-N 3.33Å; Q351-S355 WeakPolarHBondContact O-CB 3.45Å; Q351-S355 PolarHBondContact O-N 3.29Å |
| 352 | A | 93.3 | Very high | 92.3 | Very high | 13 Ų | 13 | 50 Ų | 50 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M348 V349 K350 S355 L357 A360 | M348-A352 PolarHBondContact O-N 2.59Å; V349-A352 PolarHBondContact O-N 3.25Å; K350-A352 VanDerWaalsContact C-N 3.29Å; K350-A352 PolarHBondContact O-N 2.85Å; A352-S355 PolarHBondContact O-N 2.94Å; A352-S355 PolarHBondContact O-OG 3.42Å; A352-L357 HydrophobicContact CB-CB 4.38Å; A352-L357 HydrophobicContact CB-CD2 4.1Å; A352-L357 WeakPolarHBondContact O-CB 3.34Å; A352-L357 PolarHBondContact O-N 3.26Å; A352-A360 HydrophobicContact CB-CB 3.85Å |
| 353 | A | 94.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V349 K350 S355 G356 A360 Q361 L364 Y382 | V349-A353 WeakPolarHBondContact O-CB 3.46Å; V349-A353 PolarHBondContact O-N 2.97Å; K350-A353 PolarHBondContact O-N 2.8Å; K350-A353 VanDerWaalsContact O-N 3.08Å; A353-S355 VanDerWaalsContact C-N 3.34Å; A353-G356 PolarHBondContact O-N 3.48Å; A353-G356 VanDerWaalsContact O-N 3.1Å; A353-A360 HydrophobicContact CB-CB 3.97Å; A353-Q361 HydrophobicContact CB-CB 4.46Å; A353-Q361 HydrophobicContact CB-CG 3.74Å; A353-Q361 WeakPolarHBondContact O-CG 3.48Å; A353-Q361 PolarHBondContact O-NE2 3.36Å; A353-L364 HydrophobicContact CB-CD1 3.51Å; A353-Y382 HydrophobicContact CB-CD1 4.11Å; A353-Y382 HydrophobicContact CB-CE1 3.79Å |
| 354 | D | 90.8 | Very high | 93.2 | Very high | 101 Ų | 101 | 46.5 Ų | 46.5 | 54% | 0.54 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -72.9 | -28.1 | 177.3 | -62 | -24.9 | 0 | 0 | 0 | 111.1 | K350 G356 Y382 | K350-D354 WeakPolarHBondContact O-CB 3.28Å; K350-D354 PolarHBondContact O-N 2.88Å; D354-G356 PolarHBondContact O-N 3.08Å; D354-Y382 PolarHBondContact OD1-OH 3.3Å |
| 355 | S | 90 | Very high | 93.4 | Very high | 94 Ų | 94 | 38.1 Ų | 38.1 | 66% | 0.657 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 11.1 | 166.6 | 83.8 | 0 | 0 | 0 | 0 | 114 | Q351 A352 A353 | Q351-S355 WeakPolarHBondContact O-CB 3.45Å; Q351-S355 PolarHBondContact O-N 3.29Å; A352-S355 PolarHBondContact O-N 2.94Å; A352-S355 PolarHBondContact O-OG 3.42Å; A353-S355 VanDerWaalsContact C-N 3.34Å |
| 356 | G | 89.5 | Confident | 93.4 | Very high | 40 Ų | 40 | 39.2 Ų | 39.2 | 41% | 0.412 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 9.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A353 D354 R358 | A353-G356 PolarHBondContact O-N 3.48Å; A353-G356 VanDerWaalsContact O-N 3.1Å; D354-G356 PolarHBondContact O-N 3.08Å; G356-R358 PolarHBondContact O-N 2.97Å |
| 357 | L | 91.8 | Very high | 93.4 | Very high | 32 Ų | 32 | 39 Ų | 39 | 17% | 0.168 | 22% | 0.219 | C | C | . | . | trans | -70.6 | 102.4 | 177 | -174.1 | 64 | 0 | 0 | 0 | 110.1 | L321 Y324 A352 E359 A360 Q361 | L321-L357 HydrophobicContact CD2-CD1 3.52Å; L321-L357 HydrophobicContact CD2-CD2 3.84Å; L321-L357 HydrophobicContact CD2-CG 4.36Å; Y324-L357 HydrophobicContact CD1-CD2 3.6Å; Y324-L357 HydrophobicContact CE1-CD2 4.31Å; Y324-L357 HydrophobicContact CG-CD2 3.73Å; A352-L357 HydrophobicContact CB-CB 4.38Å; A352-L357 HydrophobicContact CB-CD2 4.1Å; A352-L357 WeakPolarHBondContact O-CB 3.34Å; A352-L357 PolarHBondContact O-N 3.26Å; L357-E359 VanDerWaalsContact CD1-OE2 3.26Å; L357-E359 WeakPolarHBondContact CD1-OE2 3.49Å; L357-E359 HydrophobicContact CG-CB 4.48Å; L357-E359 PolarHBondContact O-N 2.86Å; L357-A360 HydrophobicContact CB-CB 4.13Å; L357-A360 HydrophobicContact CD2-CB 4.07Å; L357-A360 HydrophobicContact CG-CB 4.21Å; L357-A360 WeakPolarHBondContact O-CB 3.31Å; L357-A360 PolarHBondContact O-N 3.49Å; L357-Q361 PolarHBondContact O-N 3.48Å | ||
| 358 | R | 94.3 | Very high | 93.4 | Very high | 61 Ų | 61 | 36 Ų | 36 | 23% | 0.23 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -49.5 | -42.8 | -179.6 | -179.6 | -174.1 | 65.2 | 165.6 | 1 | 112.9 | G356 A360 Q361 A362 N389 D391 | G356-R358 PolarHBondContact O-N 2.97Å; R358-A360 VanDerWaalsContact C-N 3.32Å; R358-A360 PolarHBondContact O-N 3.16Å; R358-Q361 PolarHBondContact O-N 3.48Å; R358-A362 WeakPolarHBondContact O-CB 3.18Å; R358-A362 PolarHBondContact O-N 3.31Å; R358-N389 HydrophobicContact CB-CB 4.16Å; R358-N389 WeakPolarHBondContact CD-O 3.08Å; R358-N389 HydrophobicContact CG-CB 3.96Å; R358-D391 HydrophobicContact CG-CB 4.11Å |
| 359 | E | 91.6 | Very high | 93.3 | Very high | 52 Ų | 52 | 35 Ų | 35 | 24% | 0.243 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -36.8 | -180 | -66.3 | 68 | -151.5 | 0 | 0 | 111.8 | Y324 L357 F363 | Y324-E359 HydrophobicContact CE1-CB 3.66Å; Y324-E359 PolarHBondContact OH-O 3.35Å; L357-E359 VanDerWaalsContact CD1-OE2 3.26Å; L357-E359 WeakPolarHBondContact CD1-OE2 3.49Å; L357-E359 HydrophobicContact CG-CB 4.48Å; L357-E359 PolarHBondContact O-N 2.86Å; E359-F363 WeakPolarHBondContact O-CB 3.33Å; E359-F363 PolarHBondContact O-N 3.27Å |
| 360 | A | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.8 | -36.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y324 V349 A352 A353 L357 R358 F363 L364 | Y324-A360 HydrophobicContact CD2-CB 3.7Å; Y324-A360 HydrophobicContact CE2-CB 3.79Å; Y324-A360 HydrophobicContact CG-CB 4.29Å; V349-A360 HydrophobicContact CG1-CB 4.1Å; A352-A360 HydrophobicContact CB-CB 3.85Å; A353-A360 HydrophobicContact CB-CB 3.97Å; L357-A360 HydrophobicContact CB-CB 4.13Å; L357-A360 HydrophobicContact CD2-CB 4.07Å; L357-A360 HydrophobicContact CG-CB 4.21Å; L357-A360 WeakPolarHBondContact O-CB 3.31Å; L357-A360 PolarHBondContact O-N 3.49Å; R358-A360 VanDerWaalsContact C-N 3.32Å; R358-A360 PolarHBondContact O-N 3.16Å; A360-F363 PolarHBondContact O-N 3Å; A360-L364 WeakPolarHBondContact O-CG 3.25Å; A360-L364 PolarHBondContact O-N 3.33Å |
| 361 | Q | 96.3 | Very high | 92.6 | Very high | 8 Ų | 8 | 43 Ų | 43 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -48.9 | 172.2 | -65.3 | 170.2 | -12.8 | 0 | 0 | 110.9 | A353 L357 R358 F363 L364 G365 Y382 L385 A386 N389 | A353-Q361 HydrophobicContact CB-CB 4.46Å; A353-Q361 HydrophobicContact CB-CG 3.74Å; A353-Q361 WeakPolarHBondContact O-CG 3.48Å; A353-Q361 PolarHBondContact O-NE2 3.36Å; L357-Q361 PolarHBondContact O-N 3.48Å; R358-Q361 PolarHBondContact O-N 3.48Å; Q361-F363 PolarHBondContact O-N 3.05Å; Q361-L364 PolarHBondContact O-N 2.84Å; Q361-G365 PolarHBondContact O-N 2.96Å; Q361-Y382 WeakPolarHBondContact O-CB 3.45Å; Q361-L385 HydrophobicContact CB-CB 4.43Å; Q361-L385 HydrophobicContact CG-CB 4.25Å; Q361-A386 HydrophobicContact CB-CB 3.83Å; Q361-N389 PolarHBondContact OE1-ND2 3.38Å |
| 362 | A | 95.3 | Very high | 92.2 | Very high | 16 Ų | 16 | 40.1 Ų | 40.1 | 13% | 0.132 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -46 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | R358 G365 V366 A386 S394 | R358-A362 WeakPolarHBondContact O-CB 3.18Å; R358-A362 PolarHBondContact O-N 3.31Å; A362-G365 PolarHBondContact O-N 3.41Å; A362-V366 WeakPolarHBondContact O-CG2 3.33Å; A362-V366 PolarHBondContact O-N 3.29Å; A362-A386 HydrophobicContact CB-CB 3.97Å; A362-S394 VanDerWaalsContact CB-OG 3.31Å; A362-S394 WeakPolarHBondContact CB-OG 3.13Å |
| 363 | F | 95 | Very high | 92 | Very high | 42 Ų | 42 | 40.4 Ų | 40.4 | 18% | 0.184 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 178.8 | 178.8 | -103.6 | 0 | 0 | 0 | 113 | Y324 R328 L331 V349 E359 A360 Q361 V366 L367 | Y324-F363 HydrophobicContact CE2-CB 4.21Å; Y324-F363 HydrophobicContact CE2-CD1 4.39Å; Y324-F363 HydrophobicContact CE2-CG 4.48Å; R328-F363 HydrophobicContact CB-CE1 4.41Å; R328-F363 HydrophobicContact CG-CD1 4.04Å; R328-F363 HydrophobicContact CG-CD2 3.74Å; R328-F363 HydrophobicContact CG-CE1 3.91Å; R328-F363 HydrophobicContact CG-CE2 3.59Å; R328-F363 HydrophobicContact CG-CG 3.97Å; R328-F363 HydrophobicContact CG-CZ 3.68Å; L331-F363 HydrophobicContact CB-CE1 4.32Å; L331-F363 HydrophobicContact CB-CZ 4.03Å; L331-F363 HydrophobicContact CD1-CE1 3.98Å; V349-F363 HydrophobicContact CG1-CD1 3.82Å; V349-F363 HydrophobicContact CG1-CE1 4.42Å; V349-F363 HydrophobicContact CG2-CD1 4.44Å; V349-F363 HydrophobicContact CG2-CE1 4.42Å; E359-F363 WeakPolarHBondContact O-CB 3.33Å; E359-F363 PolarHBondContact O-N 3.27Å; A360-F363 PolarHBondContact O-N 3Å; Q361-F363 PolarHBondContact O-N 3.05Å; F363-V366 PolarHBondContact O-N 2.98Å; F363-L367 HydrophobicContact CE1-CD2 4.27Å; F363-L367 HydrophobicContact CZ-CD1 4.23Å; F363-L367 VanDerWaalsContact O-CB 3.32Å; F363-L367 WeakPolarHBondContact O-CB 3.39Å; F363-L367 PolarHBondContact O-N 3.16Å |
| 364 | L | 95.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | 173.5 | -74.3 | 175.6 | 0 | 0 | 0 | 112.3 | V349 K350 A353 A360 Q361 V366 L367 F368 Y382 | V349-L364 HydrophobicContact CB-CD2 4.14Å; V349-L364 HydrophobicContact CB-CG 4.48Å; V349-L364 HydrophobicContact CG1-CD1 4.05Å; V349-L364 HydrophobicContact CG1-CD2 3.6Å; V349-L364 HydrophobicContact CG1-CG 3.52Å; K350-L364 HydrophobicContact CB-CD1 4.44Å; K350-L364 HydrophobicContact CG-CD1 3.92Å; K350-L364 HydrophobicContact CG-CD2 4.4Å; A353-L364 HydrophobicContact CB-CD1 3.51Å; A360-L364 WeakPolarHBondContact O-CG 3.25Å; A360-L364 PolarHBondContact O-N 3.33Å; Q361-L364 PolarHBondContact O-N 2.84Å; L364-V366 PolarHBondContact O-N 3.16Å; L364-L367 HydrophobicContact CD2-CD2 4.1Å; L364-L367 PolarHBondContact O-N 2.74Å; L364-L367 VanDerWaalsContact O-N 3.13Å; L364-F368 HydrophobicContact CB-CD2 4.14Å; L364-F368 HydrophobicContact CB-CE2 3.96Å; L364-F368 HydrophobicContact CD2-CE2 3.93Å; L364-F368 HydrophobicContact CD2-CZ 4.37Å; L364-F368 HydrophobicContact CG-CE2 4.36Å; L364-F368 WeakPolarHBondContact O-CD2 3.29Å; L364-F368 PolarHBondContact O-N 3.4Å; L364-Y382 HydrophobicContact CB-CD1 4.2Å; L364-Y382 HydrophobicContact CB-CD2 3.9Å; L364-Y382 HydrophobicContact CB-CE2 4.44Å; L364-Y382 HydrophobicContact CB-CG 3.77Å; L364-Y382 HydrophobicContact CD1-CD1 3.95Å; L364-Y382 HydrophobicContact CD1-CD2 4.22Å; L364-Y382 HydrophobicContact CD1-CE1 3.7Å; L364-Y382 HydrophobicContact CD1-CE2 3.99Å; L364-Y382 HydrophobicContact CD1-CG 4.22Å |
| 365 | G | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53 | -44 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q361 A362 A379 | Q361-G365 PolarHBondContact O-N 2.96Å; A362-G365 PolarHBondContact O-N 3.41Å; G365-A379 WeakPolarHBondContact O-CB 3.46Å |
| 366 | V | 91.9 | Very high | 92.2 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 14% | 0.139 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.4 | -43.9 | 173.8 | 170.9 | 0 | 0 | 0 | 0 | 112.6 | A362 F363 L364 F368 T369 F521 | A362-V366 WeakPolarHBondContact O-CG2 3.33Å; A362-V366 PolarHBondContact O-N 3.29Å; F363-V366 PolarHBondContact O-N 2.98Å; L364-V366 PolarHBondContact O-N 3.16Å; V366-F368 VanDerWaalsContact C-N 3.34Å; V366-F368 PolarHBondContact O-N 3.49Å; V366-T369 PolarHBondContact O-N 2.91Å; V366-T369 PolarHBondContact O-OG1 3.47Å; V366-F521 HydrophobicContact CB-CE1 4.3Å; V366-F521 HydrophobicContact CB-CZ 4.04Å; V366-F521 HydrophobicContact CG1-CD1 4.39Å; V366-F521 HydrophobicContact CG1-CD2 4.34Å; V366-F521 HydrophobicContact CG1-CE1 3.73Å; V366-F521 HydrophobicContact CG1-CE2 3.68Å; V366-F521 HydrophobicContact CG1-CZ 3.34Å; V366-F521 HydrophobicContact CG2-CE1 3.54Å; V366-F521 HydrophobicContact CG2-CZ 3.61Å |
| 367 | L | 92.6 | Very high | 92.5 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 5% | 0.052 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.3 | -45.4 | -178.2 | -172.7 | 69.2 | 0 | 0 | 0 | 111.3 | L331 V346 F363 L364 T369 K370 Y373 | L331-L367 HydrophobicContact CD1-CD2 4.15Å; V346-L367 HydrophobicContact CG2-CD2 4.15Å; F363-L367 HydrophobicContact CE1-CD2 4.27Å; F363-L367 HydrophobicContact CZ-CD1 4.23Å; F363-L367 VanDerWaalsContact O-CB 3.32Å; F363-L367 WeakPolarHBondContact O-CB 3.39Å; F363-L367 PolarHBondContact O-N 3.16Å; L364-L367 HydrophobicContact CD2-CD2 4.1Å; L364-L367 PolarHBondContact O-N 2.74Å; L364-L367 VanDerWaalsContact O-N 3.13Å; L367-T369 PolarHBondContact O-N 2.98Å; L367-T369 VanDerWaalsContact O-N 3.14Å; L367-K370 PolarHBondContact O-N 3.06Å; L367-Y373 HydrophobicContact CD1-CD2 3.58Å; L367-Y373 HydrophobicContact CD1-CE2 3.98Å; L367-Y373 HydrophobicContact CD1-CG 4.14Å; L367-Y373 HydrophobicContact CD2-CG 4.37Å; L367-Y373 HydrophobicContact CG-CD2 3.98Å; L367-Y373 HydrophobicContact CG-CG 4Å |
| 368 | F | 94.1 | Very high | 92.6 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.035 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -2.3 | 178.7 | -68.7 | -60.8 | 0 | 0 | 0 | 114.4 | L364 V366 Y373 D375 R378 A379 Y382 | L364-F368 HydrophobicContact CB-CD2 4.14Å; L364-F368 HydrophobicContact CB-CE2 3.96Å; L364-F368 HydrophobicContact CD2-CE2 3.93Å; L364-F368 HydrophobicContact CD2-CZ 4.37Å; L364-F368 HydrophobicContact CG-CE2 4.36Å; L364-F368 WeakPolarHBondContact O-CD2 3.29Å; L364-F368 PolarHBondContact O-N 3.4Å; V366-F368 VanDerWaalsContact C-N 3.34Å; V366-F368 PolarHBondContact O-N 3.49Å; F368-Y373 WeakPolarHBondContact CA-O 3.5Å; F368-Y373 VanDerWaalsContact CD1-O 3.27Å; F368-Y373 WeakPolarHBondContact CD1-O 3.42Å; F368-D375 HydrophobicContact CB-CB 4.36Å; F368-D375 HydrophobicContact CD1-CB 3.77Å; F368-D375 HydrophobicContact CE1-CB 4.5Å; F368-D375 HydrophobicContact CG-CB 4.34Å; F368-D375 CarbonylContact O-C 3.13Å; F368-D375 PolarHBondContact O-N 3.01Å; F368-R378 HydrophobicContact CB-CB 4.41Å; F368-R378 HydrophobicContact CD1-CB 4.16Å; F368-R378 HydrophobicContact CD2-CB 3.72Å; F368-R378 HydrophobicContact CE1-CB 4.41Å; F368-R378 HydrophobicContact CE2-CB 3.99Å; F368-R378 HydrophobicContact CG-CB 3.85Å; F368-R378 HydrophobicContact CZ-CB 4.34Å; F368-A379 HydrophobicContact CB-CB 3.74Å; F368-Y382 AromaticContact CD2-CD2 3.84Å; F368-Y382 HydrophobicContact CD2-CD2 3.84Å; F368-Y382 HydrophobicContact CD2-CE2 4.3Å; F368-Y382 AromaticContact CE2-CD2 3.61Å; F368-Y382 HydrophobicContact CE2-CD2 3.61Å; F368-Y382 AromaticContact CE2-CE2 3.62Å; F368-Y382 HydrophobicContact CE2-CE2 3.62Å |
| 369 | T | 90 | Very high | 92.7 | Very high | 37 Ų | 37 | 48.6 Ų | 48.6 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -0.1 | 168.1 | 63.7 | 0 | 0 | 0 | 0 | 113.6 | V366 L367 A379 L519 | V366-T369 PolarHBondContact O-N 2.91Å; V366-T369 PolarHBondContact O-OG1 3.47Å; L367-T369 PolarHBondContact O-N 2.98Å; L367-T369 VanDerWaalsContact O-N 3.14Å; T369-A379 HydrophobicContact CG2-CB 3.69Å; T369-L519 HydrophobicContact CG2-CD1 3.95Å |
| 370 | K | 88.1 | Confident | 93 | Very high | 91 Ų | 91 | 46.9 Ų | 46.9 | 40% | 0.396 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -121.7 | 137.3 | -175.6 | -63.1 | 179.1 | -177.1 | 179 | 0 | 110.5 | L367 Y373 L374 F521 | L367-K370 PolarHBondContact O-N 3.06Å; K370-Y373 CarbonylContact O-C 3.53Å; K370-Y373 WeakPolarHBondContact O-CA 3.32Å; K370-Y373 PolarHBondContact O-N 2.77Å; K370-L374 PolarHBondContact O-N 2.84Å; K370-F521 VanDerWaalsContact CE-CE2 3.4Å; K370-F521 VanDerWaalsContact NZ-CD2 3.3Å |
| 371 | E | 87.4 | Confident | 93.1 | Very high | 138 Ų | 138 | 51 Ų | 51 | 65% | 0.645 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 148.2 | 166.8 | -66.2 | 175.9 | 179.8 | 0 | 0 | 110.6 | Y373 L374 | E371-Y373 VanDerWaalsContact C-N 3.29Å; E371-L374 HydrophobicContact CG-CB 4.38Å |
| 372 | P | 86.5 | Confident | 93.1 | Very high | 77 Ų | 77 | 51.2 Ų | 51.2 | 50% | 0.5 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -80.2 | 2.1 | -0.9 | 34.2 | -37.6 | 0 | 0 | 0 | 114.3 | W338 L374 | W338-P372 HydrophobicContact CE3-CB 4.44Å; W338-P372 HydrophobicContact CE3-CG 4.14Å; W338-P372 HydrophobicContact CZ3-CB 4.28Å; W338-P372 HydrophobicContact CZ3-CG 4.01Å; P372-L374 VanDerWaalsContact C-N 3.33Å; P372-L374 PolarHBondContact O-N 3.31Å |
| 373 | Y | 87.6 | Confident | 93.2 | Very high | 18 Ų | 18 | 50.5 Ų | 50.5 | 7% | 0.071 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -89.1 | 16 | -172.6 | -54.3 | -78.4 | 0 | 0 | 0 | 114.3 | L331 W338 V346 L367 F368 K370 E371 D375 | L331-Y373 WeakPolarHBondContact CD2-OH 3.37Å; W338-Y373 HydrophobicContact CE3-CE1 4.39Å; W338-Y373 AromaticContact CH2-CD1 3.77Å; W338-Y373 HydrophobicContact CH2-CD1 3.77Å; W338-Y373 AromaticContact CH2-CE1 3.59Å; W338-Y373 HydrophobicContact CH2-CE1 3.59Å; W338-Y373 AromaticContact CZ3-CD1 3.76Å; W338-Y373 HydrophobicContact CZ3-CD1 3.76Å; W338-Y373 AromaticContact CZ3-CE1 3.47Å; W338-Y373 HydrophobicContact CZ3-CE1 3.47Å; W338-Y373 VanDerWaalsContact CZ3-CE1 3.47Å; V346-Y373 HydrophobicContact CG2-CD1 4.13Å; V346-Y373 HydrophobicContact CG2-CE1 3.7Å; L367-Y373 HydrophobicContact CD1-CD2 3.58Å; L367-Y373 HydrophobicContact CD1-CE2 3.98Å; L367-Y373 HydrophobicContact CD1-CG 4.14Å; L367-Y373 HydrophobicContact CD2-CG 4.37Å; L367-Y373 HydrophobicContact CG-CD2 3.98Å; L367-Y373 HydrophobicContact CG-CG 4Å; F368-Y373 WeakPolarHBondContact CA-O 3.5Å; F368-Y373 VanDerWaalsContact CD1-O 3.27Å; F368-Y373 WeakPolarHBondContact CD1-O 3.42Å; K370-Y373 CarbonylContact O-C 3.53Å; K370-Y373 WeakPolarHBondContact O-CA 3.32Å; K370-Y373 PolarHBondContact O-N 2.77Å; E371-Y373 VanDerWaalsContact C-N 3.29Å; Y373-D375 PolarHBondContact O-N 3.38Å |
| 374 | L | 90.1 | Very high | 93.3 | Very high | 95 Ų | 95 | 53 Ų | 53 | 50% | 0.497 | 25% | 0.248 | S | C | . | . | trans | -60.3 | 118.2 | -169.5 | -176.2 | 64.1 | 0 | 0 | 0 | 112.6 | K370 E371 P372 E376 | K370-L374 PolarHBondContact O-N 2.84Å; E371-L374 HydrophobicContact CG-CB 4.38Å; P372-L374 VanDerWaalsContact C-N 3.33Å; P372-L374 PolarHBondContact O-N 3.31Å; L374-E376 HydrophobicContact CD1-CG 4.5Å | ||
| 375 | D | 94.6 | Very high | 93.4 | Very high | 41 Ų | 41 | 55.1 Ų | 55.1 | 22% | 0.219 | 26% | 0.259 | C | S | . | . | trans | -154.9 | 86.5 | 176.4 | -176.4 | -28.2 | 0 | 0 | 0 | 108.9 | F368 Y373 K377 R378 A379 | F368-D375 HydrophobicContact CB-CB 4.36Å; F368-D375 HydrophobicContact CD1-CB 3.77Å; F368-D375 HydrophobicContact CE1-CB 4.5Å; F368-D375 HydrophobicContact CG-CB 4.34Å; F368-D375 CarbonylContact O-C 3.13Å; F368-D375 PolarHBondContact O-N 3.01Å; Y373-D375 PolarHBondContact O-N 3.38Å; D375-K377 PolarHBondContact O-N 2.75Å; D375-K377 VanDerWaalsContact O-N 3.15Å; D375-K377 PolarHBondContact OD1-N 3.32Å; D375-R378 HydrophobicContact CB-CB 4.11Å; D375-R378 HydrophobicContact CB-CG 4.46Å; D375-R378 VanDerWaalsContact CG-CG 3.5Å; D375-R378 PolarHBondContact O-N 3.08Å; D375-R378 VanDerWaalsContact O-N 3.09Å; D375-R378 PolarHBondContact OD1-N 3.07Å; D375-R378 WeakPolarHBondContact OD2-CD 3.42Å; D375-R378 WeakPolarHBondContact OD2-CG 3.3Å; D375-R378 IonicContact OD2-CZ 3.2Å; D375-R378 IonicContact OD2-NE 3.31Å; D375-R378 PolarHBondContact OD2-NE 3.21Å; D375-R378 IonicContact OD2-NH1 2.68Å; D375-R378 PolarHBondContact OD2-NH1 2.92Å; D375-A379 PolarHBondContact O-N 3.05Å | ||
| 376 | E | 94.2 | Very high | 93.5 | Very high | 78 Ų | 78 | 55.1 Ų | 55.1 | 36% | 0.364 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58 | -33.9 | -171.9 | -52.2 | -172.7 | 151.2 | 0 | 0 | 113.4 | L374 A379 V380 L406 G407 | L374-E376 HydrophobicContact CD1-CG 4.5Å; E376-A379 WeakPolarHBondContact O-CB 3.49Å; E376-A379 PolarHBondContact O-N 2.93Å; E376-V380 WeakPolarHBondContact O-CG2 3.45Å; E376-V380 PolarHBondContact O-N 3.15Å; E376-L406 WeakPolarHBondContact OE1-CD2 3.45Å; E376-G407 PolarHBondContact OE2-N 3Å |
| 377 | K | 95.8 | Very high | 93.7 | Very high | 164 Ų | 164 | 54 Ų | 54 | 71% | 0.713 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -69.1 | -41.8 | 179.3 | -68.3 | -179 | -179.1 | 175.5 | 0 | 110.9 | D375 K381 | D375-K377 PolarHBondContact O-N 2.75Å; D375-K377 VanDerWaalsContact O-N 3.15Å; D375-K377 PolarHBondContact OD1-N 3.32Å; K377-K381 PolarHBondContact O-N 3.05Å; K377-K381 VanDerWaalsContact O-N 3.09Å |
| 378 | R | 95.4 | Very high | 93.7 | Very high | 121 Ų | 121 | 57.7 Ų | 57.7 | 46% | 0.457 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.3 | -36.3 | 172.6 | -71 | -172.3 | -174.5 | 127.1 | -5.5 | 112.2 | F368 D375 K381 Y382 | F368-R378 HydrophobicContact CB-CB 4.41Å; F368-R378 HydrophobicContact CD1-CB 4.16Å; F368-R378 HydrophobicContact CD2-CB 3.72Å; F368-R378 HydrophobicContact CE1-CB 4.41Å; F368-R378 HydrophobicContact CE2-CB 3.99Å; F368-R378 HydrophobicContact CG-CB 3.85Å; F368-R378 HydrophobicContact CZ-CB 4.34Å; D375-R378 HydrophobicContact CB-CB 4.11Å; D375-R378 HydrophobicContact CB-CG 4.46Å; D375-R378 VanDerWaalsContact CG-CG 3.5Å; D375-R378 PolarHBondContact O-N 3.08Å; D375-R378 VanDerWaalsContact O-N 3.09Å; D375-R378 PolarHBondContact OD1-N 3.07Å; D375-R378 WeakPolarHBondContact OD2-CD 3.42Å; D375-R378 WeakPolarHBondContact OD2-CG 3.3Å; D375-R378 IonicContact OD2-CZ 3.2Å; D375-R378 IonicContact OD2-NE 3.31Å; D375-R378 PolarHBondContact OD2-NE 3.21Å; D375-R378 IonicContact OD2-NH1 2.68Å; D375-R378 PolarHBondContact OD2-NH1 2.92Å; R378-K381 PolarHBondContact O-N 3.5Å; R378-Y382 HydrophobicContact CB-CD2 4.45Å; R378-Y382 VanDerWaalsContact O-CD2 3.3Å; R378-Y382 WeakPolarHBondContact O-CD2 3.4Å; R378-Y382 PolarHBondContact O-N 3.39Å |
| 379 | A | 96.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 61.2 Ų | 61.2 | 2% | 0.017 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.9 | -56 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G365 F368 T369 D375 E376 K381 Y382 L383 | G365-A379 WeakPolarHBondContact O-CB 3.46Å; F368-A379 HydrophobicContact CB-CB 3.74Å; T369-A379 HydrophobicContact CG2-CB 3.69Å; D375-A379 PolarHBondContact O-N 3.05Å; E376-A379 WeakPolarHBondContact O-CB 3.49Å; E376-A379 PolarHBondContact O-N 2.93Å; A379-K381 PolarHBondContact O-N 2.84Å; A379-Y382 PolarHBondContact O-N 2.89Å; A379-L383 WeakPolarHBondContact O-CB 3.32Å; A379-L383 WeakPolarHBondContact O-CG 3.49Å; A379-L383 PolarHBondContact O-N 3.39Å |
| 380 | V | 97.1 | Very high | 93.6 | Very high | 16 Ų | 16 | 61.4 Ų | 61.4 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.2 | -46.4 | 176.2 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | E376 Y382 L383 W384 L398 C401 L406 V408 | E376-V380 WeakPolarHBondContact O-CG2 3.45Å; E376-V380 PolarHBondContact O-N 3.15Å; V380-Y382 PolarHBondContact O-N 3.19Å; V380-L383 PolarHBondContact O-N 2.93Å; V380-W384 VanDerWaalsContact O-CB 3.26Å; V380-W384 WeakPolarHBondContact O-CB 3.32Å; V380-W384 PolarHBondContact O-N 3.13Å; V380-L398 HydrophobicContact CG1-CD1 3.89Å; V380-C401 HydrophobicContact CG2-CB 3.81Å; V380-L406 VanDerWaalsContact CG2-O 3.3Å; V380-L406 WeakPolarHBondContact CG2-O 3.49Å; V380-V408 HydrophobicContact CB-CG1 4.42Å; V380-V408 HydrophobicContact CG1-CG1 3.71Å; V380-V408 HydrophobicContact CG2-CG1 4.13Å; V380-V408 HydrophobicContact CG2-CG2 4.44Å |
| 381 | K | 96.7 | Very high | 94 | Very high | 87 Ų | 87 | 58.6 Ų | 58.6 | 38% | 0.378 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -54.7 | -51.2 | 178.9 | -176.7 | -165.9 | 174.2 | -166.5 | 0 | 111.5 | K377 R378 A379 W384 L385 | K377-K381 PolarHBondContact O-N 3.05Å; K377-K381 VanDerWaalsContact O-N 3.09Å; R378-K381 PolarHBondContact O-N 3.5Å; A379-K381 PolarHBondContact O-N 2.84Å; K381-W384 PolarHBondContact O-N 3.02Å; K381-L385 HydrophobicContact CG-CD1 4.42Å; K381-L385 WeakPolarHBondContact O-CG 3.36Å; K381-L385 PolarHBondContact O-N 3.09Å; K381-L385 VanDerWaalsContact O-N 3.1Å |
| 382 | Y | 97.4 | Very high | 94.3 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 4% | 0.043 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -75.1 | -34.9 | -176 | -77.1 | -67 | 0 | 0 | 0 | 112.8 | A353 D354 Q361 L364 F368 R378 A379 V380 L385 A386 | A353-Y382 HydrophobicContact CB-CD1 4.11Å; A353-Y382 HydrophobicContact CB-CE1 3.79Å; D354-Y382 PolarHBondContact OD1-OH 3.3Å; Q361-Y382 WeakPolarHBondContact O-CB 3.45Å; L364-Y382 HydrophobicContact CB-CD1 4.2Å; L364-Y382 HydrophobicContact CB-CD2 3.9Å; L364-Y382 HydrophobicContact CB-CE2 4.44Å; L364-Y382 HydrophobicContact CB-CG 3.77Å; L364-Y382 HydrophobicContact CD1-CD1 3.95Å; L364-Y382 HydrophobicContact CD1-CD2 4.22Å; L364-Y382 HydrophobicContact CD1-CE1 3.7Å; L364-Y382 HydrophobicContact CD1-CE2 3.99Å; L364-Y382 HydrophobicContact CD1-CG 4.22Å; F368-Y382 AromaticContact CD2-CD2 3.84Å; F368-Y382 HydrophobicContact CD2-CD2 3.84Å; F368-Y382 HydrophobicContact CD2-CE2 4.3Å; F368-Y382 AromaticContact CE2-CD2 3.61Å; F368-Y382 HydrophobicContact CE2-CD2 3.61Å; F368-Y382 AromaticContact CE2-CE2 3.62Å; F368-Y382 HydrophobicContact CE2-CE2 3.62Å; R378-Y382 HydrophobicContact CB-CD2 4.45Å; R378-Y382 VanDerWaalsContact O-CD2 3.3Å; R378-Y382 WeakPolarHBondContact O-CD2 3.4Å; R378-Y382 PolarHBondContact O-N 3.39Å; A379-Y382 PolarHBondContact O-N 2.89Å; V380-Y382 PolarHBondContact O-N 3.19Å; Y382-L385 HydrophobicContact CD1-CD1 4.03Å; Y382-L385 HydrophobicContact CE1-CD1 4.33Å; Y382-L385 PolarHBondContact O-N 3.14Å; Y382-A386 WeakPolarHBondContact O-CB 3.32Å; Y382-A386 PolarHBondContact O-N 3.05Å |
| 383 | L | 97.4 | Very high | 94.8 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.6 | -41.7 | 170.6 | -69.9 | 173.8 | 0 | 0 | 0 | 111.9 | A379 V380 A386 A387 S394 H397 | A379-L383 WeakPolarHBondContact O-CB 3.32Å; A379-L383 WeakPolarHBondContact O-CG 3.49Å; A379-L383 PolarHBondContact O-N 3.39Å; V380-L383 PolarHBondContact O-N 2.93Å; L383-A386 PolarHBondContact O-N 3.02Å; L383-A387 WeakPolarHBondContact O-CB 3.21Å; L383-A387 PolarHBondContact O-N 3.26Å; L383-S394 WeakPolarHBondContact O-CB 3.36Å; L383-H397 HydrophobicContact CD1-CB 3.8Å; L383-H397 HydrophobicContact CD2-CB 3.9Å; L383-H397 HydrophobicContact CG-CB 4.48Å |
| 384 | W | 97 | Very high | 95.2 | Very high | 95 Ų | 95 | 52.9 Ų | 52.9 | 36% | 0.36 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 176.4 | -179.8 | 91 | 0 | 0 | 0 | 112.4 | V380 K381 A387 N388 L398 L463 | V380-W384 VanDerWaalsContact O-CB 3.26Å; V380-W384 WeakPolarHBondContact O-CB 3.32Å; V380-W384 PolarHBondContact O-N 3.13Å; K381-W384 PolarHBondContact O-N 3.02Å; W384-A387 PolarHBondContact O-N 3.49Å; W384-N388 VanDerWaalsContact CH2-ND2 3.3Å; W384-N388 WeakPolarHBondContact CH2-ND2 3.42Å; W384-N388 WeakPolarHBondContact CZ2-ND2 3.43Å; W384-N388 WeakPolarHBondContact O-CB 3.5Å; W384-N388 PolarHBondContact O-N 2.98Å; W384-L398 HydrophobicContact CB-CD1 4.49Å; W384-L398 HydrophobicContact CB-CD2 4.37Å; W384-L463 HydrophobicContact CZ2-CD1 4.5Å |
| 385 | L | 96.6 | Very high | 95.6 | Very high | 44 Ų | 44 | 49.8 Ų | 49.8 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.2 | -49.9 | 174.6 | -73.1 | 169.2 | 0 | 0 | 0 | 111.5 | Q361 K381 Y382 A387 N388 N389 | Q361-L385 HydrophobicContact CB-CB 4.43Å; Q361-L385 HydrophobicContact CG-CB 4.25Å; K381-L385 HydrophobicContact CG-CD1 4.42Å; K381-L385 WeakPolarHBondContact O-CG 3.36Å; K381-L385 PolarHBondContact O-N 3.09Å; K381-L385 VanDerWaalsContact O-N 3.1Å; Y382-L385 HydrophobicContact CD1-CD1 4.03Å; Y382-L385 HydrophobicContact CE1-CD1 4.33Å; Y382-L385 PolarHBondContact O-N 3.14Å; L385-A387 PolarHBondContact O-N 3.49Å; L385-N388 PolarHBondContact O-N 2.79Å; L385-N389 PolarHBondContact O-N 2.67Å |
| 386 | A | 96.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q361 A362 Y382 L383 N388 N389 G390 D391 S394 | Q361-A386 HydrophobicContact CB-CB 3.83Å; A362-A386 HydrophobicContact CB-CB 3.97Å; Y382-A386 WeakPolarHBondContact O-CB 3.32Å; Y382-A386 PolarHBondContact O-N 3.05Å; L383-A386 PolarHBondContact O-N 3.02Å; A386-N388 PolarHBondContact O-N 3.04Å; A386-N389 CarbonylContact O-C 3.56Å; A386-N389 WeakPolarHBondContact O-CA 3.46Å; A386-N389 PolarHBondContact O-N 3.35Å; A386-N389 VanDerWaalsContact O-N 3.16Å; A386-G390 PolarHBondContact O-N 2.86Å; A386-D391 HydrophobicContact CB-CB 4.12Å; A386-D391 WeakPolarHBondContact O-CB 3.32Å; A386-D391 PolarHBondContact O-N 3.11Å; A386-S394 VanDerWaalsContact CB-OG 3.28Å; A386-S394 WeakPolarHBondContact CB-OG 3.16Å |
| 387 | A | 95.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L383 W384 L385 N389 G390 R395 | L383-A387 WeakPolarHBondContact O-CB 3.21Å; L383-A387 PolarHBondContact O-N 3.26Å; W384-A387 PolarHBondContact O-N 3.49Å; L385-A387 PolarHBondContact O-N 3.49Å; A387-N389 VanDerWaalsContact C-N 3.26Å; A387-N389 PolarHBondContact O-N 2.63Å; A387-G390 WeakPolarHBondContact O-CA 3.38Å; A387-G390 PolarHBondContact O-N 3.41Å; A387-R395 HydrophobicContact CB-CB 3.77Å; A387-R395 HydrophobicContact CB-CG 4.38Å; A387-R395 PolarHBondContact O-NH1 2.74Å; A387-R395 PolarHBondContact O-NH2 3.26Å |
| 388 | N | 94.3 | Very high | 95.8 | Very high | 87 Ų | 87 | 39.3 Ų | 39.3 | 47% | 0.465 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.5 | -31.5 | 176.5 | -74.5 | -14.4 | 0 | 0 | 0 | 112.4 | W384 L385 A386 G390 | W384-N388 VanDerWaalsContact CH2-ND2 3.3Å; W384-N388 WeakPolarHBondContact CH2-ND2 3.42Å; W384-N388 WeakPolarHBondContact CZ2-ND2 3.43Å; W384-N388 WeakPolarHBondContact O-CB 3.5Å; W384-N388 PolarHBondContact O-N 2.98Å; L385-N388 PolarHBondContact O-N 2.79Å; A386-N388 PolarHBondContact O-N 3.04Å; N388-G390 PolarHBondContact O-N 3.08Å; N388-G390 VanDerWaalsContact O-N 3.16Å |
| 389 | N | 91.4 | Very high | 95.8 | Very high | 81 Ų | 81 | 33.6 Ų | 33.6 | 43% | 0.433 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 16.4 | 168.9 | -72.6 | -23.3 | 0 | 0 | 0 | 114 | R358 Q361 L385 A386 A387 | R358-N389 HydrophobicContact CB-CB 4.16Å; R358-N389 WeakPolarHBondContact CD-O 3.08Å; R358-N389 HydrophobicContact CG-CB 3.96Å; Q361-N389 PolarHBondContact OE1-ND2 3.38Å; L385-N389 PolarHBondContact O-N 2.67Å; A386-N389 CarbonylContact O-C 3.56Å; A386-N389 WeakPolarHBondContact O-CA 3.46Å; A386-N389 PolarHBondContact O-N 3.35Å; A386-N389 VanDerWaalsContact O-N 3.16Å; A387-N389 VanDerWaalsContact C-N 3.26Å; A387-N389 PolarHBondContact O-N 2.63Å |
| 390 | G | 90.1 | Very high | 95.8 | Very high | 41 Ų | 41 | 34.1 Ų | 34.1 | 42% | 0.423 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 9.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A386 A387 N388 S392 | A386-G390 PolarHBondContact O-N 2.86Å; A387-G390 WeakPolarHBondContact O-CA 3.38Å; A387-G390 PolarHBondContact O-N 3.41Å; N388-G390 PolarHBondContact O-N 3.08Å; N388-G390 VanDerWaalsContact O-N 3.16Å; G390-S392 PolarHBondContact O-N 2.94Å |
| 391 | D | 95.2 | Very high | 95.7 | Very high | 33 Ų | 33 | 33.6 Ų | 33.6 | 18% | 0.176 | 17% | 0.171 | C | C | . | . | trans | -73 | 115 | 175.6 | -168.6 | 59.9 | 0 | 0 | 0 | 111.3 | R358 A386 S394 R395 | R358-D391 HydrophobicContact CG-CB 4.11Å; A386-D391 HydrophobicContact CB-CB 4.12Å; A386-D391 WeakPolarHBondContact O-CB 3.32Å; A386-D391 PolarHBondContact O-N 3.11Å; D391-S394 WeakPolarHBondContact OD2-CB 3.35Å; D391-S394 PolarHBondContact OD2-N 3.33Å; D391-S394 PolarHBondContact OD2-OG 3.17Å; D391-R395 PolarHBondContact O-N 3.46Å | ||
| 392 | S | 95.5 | Very high | 95.7 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -73.6 | -33.6 | -177.4 | 62.5 | 0 | 0 | 0 | 0 | 112.1 | G390 R395 Y396 S422 N427 | G390-S392 PolarHBondContact O-N 2.94Å; S392-R395 PolarHBondContact O-N 3.29Å; S392-Y396 PolarHBondContact O-N 2.6Å; S392-S422 PolarHBondContact O-OG 3.03Å; S392-N427 PolarHBondContact O-ND2 2.8Å |
| 393 | Q | 95.8 | Very high | 95.6 | Very high | 84 Ų | 84 | 32.3 Ų | 32.3 | 39% | 0.393 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -68.5 | -46.2 | 178.3 | -67.6 | -61.7 | -5.5 | 0 | 0 | 111.8 | R395 Y396 H397 N427 | Q393-R395 PolarHBondContact O-N 3.4Å; Q393-Y396 WeakPolarHBondContact O-CA 3.47Å; Q393-Y396 WeakPolarHBondContact O-CB 3.45Å; Q393-Y396 PolarHBondContact O-N 2.76Å; Q393-H397 PolarHBondContact O-CD2 2.92Å; Q393-H397 PolarHBondContact O-N 3.31Å; Q393-N427 PolarHBondContact NE2-ND2 3.37Å; Q393-N427 PolarHBondContact NE2-OD1 2.9Å; Q393-N427 PolarHBondContact OE1-ND2 3.49Å |
| 394 | S | 96.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.9 | -34.5 | 175.2 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | A362 L383 A386 D391 H397 L398 | A362-S394 VanDerWaalsContact CB-OG 3.31Å; A362-S394 WeakPolarHBondContact CB-OG 3.13Å; L383-S394 WeakPolarHBondContact O-CB 3.36Å; A386-S394 VanDerWaalsContact CB-OG 3.28Å; A386-S394 WeakPolarHBondContact CB-OG 3.16Å; D391-S394 WeakPolarHBondContact OD2-CB 3.35Å; D391-S394 PolarHBondContact OD2-N 3.33Å; D391-S394 PolarHBondContact OD2-OG 3.17Å; S394-H397 PolarHBondContact O-N 3.35Å; S394-L398 WeakPolarHBondContact O-CB 3.04Å; S394-L398 PolarHBondContact O-N 2.85Å |
| 395 | R | 97 | Very high | 95.2 | Very high | 31 Ų | 31 | 33.1 Ų | 33.1 | 12% | 0.117 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.6 | -36 | 172.5 | -171.7 | 176.6 | -90 | 85.9 | 7.5 | 112.9 | A387 D391 S392 Q393 G399 C418 Q421 | A387-R395 HydrophobicContact CB-CB 3.77Å; A387-R395 HydrophobicContact CB-CG 4.38Å; A387-R395 PolarHBondContact O-NH1 2.74Å; A387-R395 PolarHBondContact O-NH2 3.26Å; D391-R395 PolarHBondContact O-N 3.46Å; S392-R395 PolarHBondContact O-N 3.29Å; Q393-R395 PolarHBondContact O-N 3.4Å; R395-G399 PolarHBondContact O-N 3.3Å; R395-G399 VanDerWaalsContact O-N 3.13Å; R395-C418 HydrophobicContact CG-CB 4.31Å; R395-Q421 VanDerWaalsContact CD-CB 3.48Å |
| 396 | Y | 97 | Very high | 95 | Very high | 37 Ų | 37 | 33.4 Ų | 33.4 | 15% | 0.145 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.9 | -49.1 | 172.2 | 166.9 | -114.4 | 0 | 0 | 0 | 111 | S392 Q393 L398 G399 I400 Y419 N427 A429 A430 R433 | S392-Y396 PolarHBondContact O-N 2.6Å; Q393-Y396 WeakPolarHBondContact O-CA 3.47Å; Q393-Y396 WeakPolarHBondContact O-CB 3.45Å; Q393-Y396 PolarHBondContact O-N 2.76Å; Y396-L398 VanDerWaalsContact C-N 3.33Å; Y396-L398 PolarHBondContact O-N 3.24Å; Y396-G399 WeakPolarHBondContact O-CA 3.45Å; Y396-G399 PolarHBondContact O-N 3.3Å; Y396-I400 HydrophobicContact CD1-CD1 4.37Å; Y396-I400 HydrophobicContact CE1-CD1 3.8Å; Y396-I400 HydrophobicContact CE2-CD1 4.34Å; Y396-I400 HydrophobicContact CE2-CG1 4.4Å; Y396-I400 PolarHBondContact O-N 2.87Å; Y396-I400 VanDerWaalsContact O-N 3.12Å; Y396-Y419 AromaticContact CD2-CD1 3.67Å; Y396-Y419 HydrophobicContact CD2-CD1 3.67Å; Y396-Y419 AromaticContact CD2-CE1 3.68Å; Y396-Y419 HydrophobicContact CD2-CE1 3.68Å; Y396-Y419 HydrophobicContact CE2-CD1 4.12Å; Y396-Y419 AromaticContact CE2-CE1 3.82Å; Y396-Y419 HydrophobicContact CE2-CE1 3.82Å; Y396-Y419 WeakPolarHBondContact O-CE1 3.42Å; Y396-N427 WeakPolarHBondContact CB-ND2 3.45Å; Y396-A429 HydrophobicContact CD1-CB 4.17Å; Y396-A429 HydrophobicContact CE1-CB 3.68Å; Y396-A429 HydrophobicContact CE2-CB 4.29Å; Y396-A429 WeakPolarHBondContact CE2-O 3.15Å; Y396-A430 HydrophobicContact CD2-CB 3.77Å; Y396-A430 HydrophobicContact CG-CB 4.33Å; Y396-R433 HydrophobicContact CE2-CB 3.95Å; Y396-R433 HydrophobicContact CE2-CG 4.38Å |
| 397 | H | 96.3 | Very high | 94.8 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 8% | 0.079 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.2 | -36.9 | 176.6 | -64.3 | -56.4 | 0 | 0 | 0 | 113.1 | L383 Q393 S394 G399 I400 C401 F521 | L383-H397 HydrophobicContact CD1-CB 3.8Å; L383-H397 HydrophobicContact CD2-CB 3.9Å; L383-H397 HydrophobicContact CG-CB 4.48Å; Q393-H397 PolarHBondContact O-CD2 2.92Å; Q393-H397 PolarHBondContact O-N 3.31Å; S394-H397 PolarHBondContact O-N 3.35Å; H397-G399 VanDerWaalsContact C-N 3.25Å; H397-G399 PolarHBondContact O-N 3.41Å; H397-I400 WeakPolarHBondContact O-CA 3.49Å; H397-I400 WeakPolarHBondContact O-CB 3.27Å; H397-I400 PolarHBondContact O-N 2.86Å; H397-C401 PolarHBondContact O-N 3.04Å; H397-C401 PolarHBondContact O-SG 2.81Å; H397-C401 VanDerWaalsContact O-SG 3.38Å; H397-F521 AromaticContact CE1-CE1 3.61Å; H397-F521 AromaticContact CE1-CZ 3.88Å; H397-F521 AromaticContact NE2-CE1 3.41Å; H397-F521 WeakPolarHBondContact NE2-CE1 3.26Å; H397-F521 AromaticContact NE2-CZ 3.99Å |
| 398 | L | 96.3 | Very high | 94.7 | Very high | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.3 | -36.3 | 171.4 | -175.8 | 66.7 | 0 | 0 | 0 | 111.9 | V380 W384 S394 Y396 C401 Y402 | V380-L398 HydrophobicContact CG1-CD1 3.89Å; W384-L398 HydrophobicContact CB-CD1 4.49Å; W384-L398 HydrophobicContact CB-CD2 4.37Å; S394-L398 WeakPolarHBondContact O-CB 3.04Å; S394-L398 PolarHBondContact O-N 2.85Å; Y396-L398 VanDerWaalsContact C-N 3.33Å; Y396-L398 PolarHBondContact O-N 3.24Å; L398-C401 WeakPolarHBondContact O-CB 3.41Å; L398-C401 PolarHBondContact O-N 2.93Å; L398-Y402 HydrophobicContact CD1-CD2 4.46Å; L398-Y402 HydrophobicContact CD1-CE2 3.98Å; L398-Y402 HydrophobicContact CD2-CE2 4.25Å; L398-Y402 HydrophobicContact CG-CD2 4.14Å; L398-Y402 HydrophobicContact CG-CE2 3.82Å; L398-Y402 VanDerWaalsContact O-CD2 3.27Å; L398-Y402 WeakPolarHBondContact O-CD2 3.39Å; L398-Y402 PolarHBondContact O-N 3.4Å |
| 399 | G | 96.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.5 | -44.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R395 Y396 H397 C401 Y402 E403 A415 | R395-G399 PolarHBondContact O-N 3.3Å; R395-G399 VanDerWaalsContact O-N 3.13Å; Y396-G399 WeakPolarHBondContact O-CA 3.45Å; Y396-G399 PolarHBondContact O-N 3.3Å; H397-G399 VanDerWaalsContact C-N 3.25Å; H397-G399 PolarHBondContact O-N 3.41Å; G399-C401 VanDerWaalsContact C-N 3.34Å; G399-C401 PolarHBondContact O-N 3.45Å; G399-Y402 PolarHBondContact O-N 2.82Å; G399-E403 WeakPolarHBondContact O-CB 3.41Å; G399-E403 PolarHBondContact O-N 3.27Å; G399-A415 VanDerWaalsContact O-CB 3.32Å; G399-A415 WeakPolarHBondContact O-CB 3.27Å |
| 400 | I | 95.4 | Very high | 94.9 | Very high | 14 Ų | 14 | 44.1 Ų | 44.1 | 7% | 0.072 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.7 | -40.8 | 175.3 | -56.2 | 173.3 | 0 | 0 | 0 | 111.1 | Y396 H397 Y402 E403 K404 Y419 L519 | Y396-I400 HydrophobicContact CD1-CD1 4.37Å; Y396-I400 HydrophobicContact CE1-CD1 3.8Å; Y396-I400 HydrophobicContact CE2-CD1 4.34Å; Y396-I400 HydrophobicContact CE2-CG1 4.4Å; Y396-I400 PolarHBondContact O-N 2.87Å; Y396-I400 VanDerWaalsContact O-N 3.12Å; H397-I400 WeakPolarHBondContact O-CA 3.49Å; H397-I400 WeakPolarHBondContact O-CB 3.27Å; H397-I400 PolarHBondContact O-N 2.86Å; I400-Y402 PolarHBondContact O-N 2.97Å; I400-E403 PolarHBondContact O-N 2.81Å; I400-K404 HydrophobicContact CG2-CD 3.81Å; I400-K404 HydrophobicContact CG2-CG 4.31Å; I400-K404 WeakPolarHBondContact O-CB 3.47Å; I400-K404 PolarHBondContact O-N 3.37Å; I400-Y419 WeakPolarHBondContact CA-OH 3.36Å; I400-Y419 HydrophobicContact CG1-CE1 4.14Å; I400-Y419 WeakPolarHBondContact CG1-OH 3.41Å; I400-Y419 PolarHBondContact N-OH 3.38Å; I400-L519 HydrophobicContact CD1-CD2 3.88Å; I400-L519 HydrophobicContact CG2-CD2 4.05Å |
| 401 | C | 95.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 45.2 Ų | 45.2 | 3% | 0.027 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.4 | -45.5 | 175.3 | -66.4 | 0 | 0 | 0 | 0 | 111.6 | V380 H397 L398 G399 G405 L406 V408 | V380-C401 HydrophobicContact CG2-CB 3.81Å; H397-C401 PolarHBondContact O-N 3.04Å; H397-C401 PolarHBondContact O-SG 2.81Å; H397-C401 VanDerWaalsContact O-SG 3.38Å; L398-C401 WeakPolarHBondContact O-CB 3.41Å; L398-C401 PolarHBondContact O-N 2.93Å; G399-C401 VanDerWaalsContact C-N 3.34Å; G399-C401 PolarHBondContact O-N 3.45Å; C401-G405 CarbonylContact O-C 3.52Å; C401-G405 VanDerWaalsContact O-CA 3.27Å; C401-G405 WeakPolarHBondContact O-CA 3.47Å; C401-G405 PolarHBondContact O-N 3.46Å; C401-L406 HydrophobicContact CB-CB 4.45Å; C401-L406 PolarHBondContact O-N 3.07Å; C401-V408 HydrophobicContact CB-CG2 4.18Å |
| 402 | Y | 96.6 | Very high | 95.1 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 18% | 0.18 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.9 | -35.6 | 174.5 | -75.7 | -60.6 | 0 | 0 | 0 | 113.6 | L398 G399 I400 V408 R410 N411 E414 | L398-Y402 HydrophobicContact CD1-CD2 4.46Å; L398-Y402 HydrophobicContact CD1-CE2 3.98Å; L398-Y402 HydrophobicContact CD2-CE2 4.25Å; L398-Y402 HydrophobicContact CG-CD2 4.14Å; L398-Y402 HydrophobicContact CG-CE2 3.82Å; L398-Y402 VanDerWaalsContact O-CD2 3.27Å; L398-Y402 WeakPolarHBondContact O-CD2 3.39Å; L398-Y402 PolarHBondContact O-N 3.4Å; G399-Y402 PolarHBondContact O-N 2.82Å; I400-Y402 PolarHBondContact O-N 2.97Å; Y402-V408 HydrophobicContact CD1-CB 4.2Å; Y402-V408 HydrophobicContact CD1-CG2 3.65Å; Y402-V408 HydrophobicContact CE1-CB 4.02Å; Y402-V408 HydrophobicContact CE1-CG1 4.21Å; Y402-V408 HydrophobicContact CE1-CG2 3.89Å; Y402-V408 HydrophobicContact CG-CG2 4.26Å; Y402-R410 CarbonylContact O-C 3.55Å; Y402-R410 WeakPolarHBondContact O-CA 3.34Å; Y402-N411 HydrophobicContact CD1-CB 4.31Å; Y402-N411 PolarHBondContact O-N 2.93Å; Y402-E414 HydrophobicContact CD1-CB 4.38Å; Y402-E414 HydrophobicContact CD2-CB 4.14Å; Y402-E414 HydrophobicContact CE2-CB 4.39Å; Y402-E414 HydrophobicContact CG-CB 4.15Å |
| 403 | E | 94.9 | Very high | 95 | Very high | 26 Ų | 26 | 53.5 Ų | 53.5 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -42.1 | -179.5 | -163.8 | -162.2 | 113.1 | 0 | 0 | 111.8 | G399 I400 R410 L412 A415 Y419 R433 | G399-E403 WeakPolarHBondContact O-CB 3.41Å; G399-E403 PolarHBondContact O-N 3.27Å; I400-E403 PolarHBondContact O-N 2.81Å; E403-R410 WeakPolarHBondContact O-CD 3.47Å; E403-R410 VanDerWaalsContact O-CG 3.24Å; E403-R410 WeakPolarHBondContact O-CG 3.41Å; E403-L412 HydrophobicContact CG-CD2 3.87Å; E403-A415 HydrophobicContact CB-CB 3.89Å; E403-Y419 WeakPolarHBondContact OE2-CE2 3.33Å; E403-Y419 PolarHBondContact OE2-OH 3.23Å; E403-R433 IonicContact OE1-CZ 3.57Å; E403-R433 IonicContact OE1-NE 3.64Å; E403-R433 IonicContact OE1-NH2 3.61Å; E403-R433 PolarHBondContact OE1-NH2 2.87Å; E403-R433 IonicContact OE2-CZ 3.82Å; E403-R433 IonicContact OE2-NE 3.55Å; E403-R433 PolarHBondContact OE2-NE 2.86Å; E403-R433 IonicContact OE2-NH2 2.95Å; E403-R433 PolarHBondContact OE2-NH2 2.93Å |
| 404 | K | 93.7 | Very high | 95 | Very high | 87 Ų | 87 | 52.1 Ų | 52.1 | 38% | 0.378 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -93.8 | -22 | -177.3 | -67.4 | -177.9 | -179.9 | 179.9 | 0 | 114 | I400 L406 | I400-K404 HydrophobicContact CG2-CD 3.81Å; I400-K404 HydrophobicContact CG2-CG 4.31Å; I400-K404 WeakPolarHBondContact O-CB 3.47Å; I400-K404 PolarHBondContact O-N 3.37Å; K404-L406 HydrophobicContact CB-CD1 4.2Å; K404-L406 HydrophobicContact CB-CD2 4.45Å; K404-L406 HydrophobicContact CB-CG 3.88Å; K404-L406 HydrophobicContact CD-CD1 4.12Å |
| 405 | G | 92.8 | Very high | 94.9 | Very high | 25 Ų | 25 | 52.1 Ų | 52.1 | 26% | 0.258 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | 30.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | C401 G407 V408 | C401-G405 CarbonylContact O-C 3.52Å; C401-G405 VanDerWaalsContact O-CA 3.27Å; C401-G405 WeakPolarHBondContact O-CA 3.47Å; C401-G405 PolarHBondContact O-N 3.46Å; G405-G407 PolarHBondContact O-N 3.26Å; G405-V408 CarbonylContact C-O 3.33Å; G405-V408 WeakPolarHBondContact CA-O 3.32Å; G405-V408 VanDerWaalsContact O-O 3.07Å |
| 406 | L | 92.4 | Very high | 94.9 | Very high | 51 Ų | 51 | 53 Ų | 53 | 27% | 0.267 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -82 | 113.9 | -179.8 | -56.1 | 171.5 | 0 | 0 | 0 | 109.6 | E376 V380 C401 K404 V408 | E376-L406 WeakPolarHBondContact OE1-CD2 3.45Å; V380-L406 VanDerWaalsContact CG2-O 3.3Å; V380-L406 WeakPolarHBondContact CG2-O 3.49Å; C401-L406 HydrophobicContact CB-CB 4.45Å; C401-L406 PolarHBondContact O-N 3.07Å; K404-L406 HydrophobicContact CB-CD1 4.2Å; K404-L406 HydrophobicContact CB-CD2 4.45Å; K404-L406 HydrophobicContact CB-CG 3.88Å; K404-L406 HydrophobicContact CD-CD1 4.12Å; L406-V408 PolarHBondContact O-N 3.3Å |
| 407 | G | 90.9 | Very high | 94.9 | Very high | 23 Ų | 23 | 57.4 Ų | 57.4 | 24% | 0.237 | 27% | 0.269 | C | S | . | . | S | Bend | trans | 67.3 | -4.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116 | E376 G405 | E376-G407 PolarHBondContact OE2-N 3Å; G405-G407 PolarHBondContact O-N 3.26Å |
| 408 | V | 94.6 | Very high | 94.9 | Very high | 36 Ų | 36 | 57 Ų | 57 | 22% | 0.218 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -141.9 | 158.2 | 179.6 | -75 | 0 | 0 | 0 | 0 | 110.9 | V380 C401 Y402 G405 L406 R410 | V380-V408 HydrophobicContact CB-CG1 4.42Å; V380-V408 HydrophobicContact CG1-CG1 3.71Å; V380-V408 HydrophobicContact CG2-CG1 4.13Å; V380-V408 HydrophobicContact CG2-CG2 4.44Å; C401-V408 HydrophobicContact CB-CG2 4.18Å; Y402-V408 HydrophobicContact CD1-CB 4.2Å; Y402-V408 HydrophobicContact CD1-CG2 3.65Å; Y402-V408 HydrophobicContact CE1-CB 4.02Å; Y402-V408 HydrophobicContact CE1-CG1 4.21Å; Y402-V408 HydrophobicContact CE1-CG2 3.89Å; Y402-V408 HydrophobicContact CG-CG2 4.26Å; G405-V408 CarbonylContact C-O 3.33Å; G405-V408 WeakPolarHBondContact CA-O 3.32Å; G405-V408 VanDerWaalsContact O-O 3.07Å; L406-V408 PolarHBondContact O-N 3.3Å; V408-R410 PolarHBondContact O-N 3.46Å |
| 409 | Q | 94.6 | Very high | 94.9 | Very high | 170 Ų | 170 | 56.6 Ų | 56.6 | 79% | 0.794 | 27% | 0.265 | S | S | * | . | trans | -60.8 | 133 | 171.9 | -170.5 | 62.3 | 22.4 | 0 | 0 | 110.9 | N411 | Q409-N411 PolarHBondContact O-N 2.97Š| ||
| 410 | R | 95.3 | Very high | 95 | Very high | 165 Ų | 165 | 63.5 Ų | 63.5 | 62% | 0.623 | 29% | 0.292 | S | S | * | . | trans | -57.3 | 123.9 | 178.1 | -165.6 | 179.4 | 76.5 | 133.9 | -1.9 | 111 | Y402 E403 V408 | Y402-R410 CarbonylContact O-C 3.55Å; Y402-R410 WeakPolarHBondContact O-CA 3.34Å; E403-R410 WeakPolarHBondContact O-CD 3.47Å; E403-R410 VanDerWaalsContact O-CG 3.24Å; E403-R410 WeakPolarHBondContact O-CG 3.41Å; V408-R410 PolarHBondContact O-N 3.46Å | ||
| 411 | N | 95.4 | Very high | 95 | Very high | 64 Ų | 64 | 66.8 Ų | 66.8 | 34% | 0.342 | 31% | 0.306 | S | S | . | . | trans | -149.7 | 97 | -177.2 | -174.7 | -19.2 | 0 | 0 | 0 | 111.3 | Y402 Q409 R413 E414 A415 | Y402-N411 HydrophobicContact CD1-CB 4.31Å; Y402-N411 PolarHBondContact O-N 2.93Å; Q409-N411 PolarHBondContact O-N 2.97Å; N411-R413 VanDerWaalsContact C-N 3.26Å; N411-R413 PolarHBondContact O-N 3.38Å; N411-R413 WeakPolarHBondContact OD1-CB 3.36Å; N411-R413 PolarHBondContact OD1-N 3.32Å; N411-R413 VanDerWaalsContact OD1-N 3.08Å; N411-E414 HydrophobicContact CB-CB 4.48Å; N411-E414 PolarHBondContact O-N 2.89Å; N411-E414 PolarHBondContact OD1-N 3.38Å; N411-A415 PolarHBondContact O-N 3.06Å | ||
| 412 | L | 94.1 | Very high | 95 | Very high | 68 Ų | 68 | 66.6 Ų | 66.6 | 36% | 0.356 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.2 | -29.6 | 180 | -63.9 | 175.7 | 0 | 0 | 0 | 113.3 | E403 A415 L416 L450 | E403-L412 HydrophobicContact CG-CD2 3.87Å; L412-A415 PolarHBondContact O-N 3.38Å; L412-L416 WeakPolarHBondContact O-CB 3.39Å; L412-L416 WeakPolarHBondContact O-CG 3.19Å; L412-L416 PolarHBondContact O-N 3.12Å; L412-L450 HydrophobicContact CD1-CD2 4.13Å |
| 413 | R | 94 | Very high | 95 | Very high | 164 Ų | 164 | 65 Ų | 65 | 62% | 0.619 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.2 | -45.4 | -179.8 | -173.6 | -176.2 | -69.8 | -177 | -3.8 | 111.3 | N411 R417 | N411-R413 VanDerWaalsContact C-N 3.26Å; N411-R413 PolarHBondContact O-N 3.38Å; N411-R413 WeakPolarHBondContact OD1-CB 3.36Å; N411-R413 PolarHBondContact OD1-N 3.32Å; N411-R413 VanDerWaalsContact OD1-N 3.08Å; R413-R417 PolarHBondContact O-N 3.38Å; R413-R417 VanDerWaalsContact O-N 3.1Å |
| 414 | E | 94.1 | Very high | 95 | Very high | 56 Ų | 56 | 68 Ų | 68 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.8 | -31.5 | 175.2 | -69.1 | -61.2 | 156.9 | 0 | 0 | 112 | Y402 N411 R417 C418 | Y402-E414 HydrophobicContact CD1-CB 4.38Å; Y402-E414 HydrophobicContact CD2-CB 4.14Å; Y402-E414 HydrophobicContact CE2-CB 4.39Å; Y402-E414 HydrophobicContact CG-CB 4.15Å; N411-E414 HydrophobicContact CB-CB 4.48Å; N411-E414 PolarHBondContact O-N 2.89Å; N411-E414 PolarHBondContact OD1-N 3.38Å; E414-R417 WeakPolarHBondContact O-CB 3.38Å; E414-R417 PolarHBondContact O-N 3.12Å; E414-R417 IonicContact OE1-NH1 3.3Å; E414-R417 PolarHBondContact OE1-NH1 3.33Å; E414-R417 WeakPolarHBondContact OE2-CD 3.25Å; E414-R417 IonicContact OE2-NH1 3.24Å; E414-R417 PolarHBondContact OE2-NH1 2.98Å; E414-C418 WeakPolarHBondContact O-CB 3.18Å; E414-C418 PolarHBondContact O-N 3.18Å; E414-C418 PolarHBondContact O-SG 2.98Å |
| 415 | A | 96.5 | Very high | 95 | Very high | 2 Ų | 2 | 68.3 Ų | 68.3 | 2% | 0.017 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.8 | -53.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G399 E403 N411 L412 R417 C418 Y419 | G399-A415 VanDerWaalsContact O-CB 3.32Å; G399-A415 WeakPolarHBondContact O-CB 3.27Å; E403-A415 HydrophobicContact CB-CB 3.89Å; N411-A415 PolarHBondContact O-N 3.06Å; L412-A415 PolarHBondContact O-N 3.38Å; A415-R417 VanDerWaalsContact C-N 3.27Å; A415-R417 PolarHBondContact O-N 3.04Å; A415-C418 WeakPolarHBondContact O-CB 3.29Å; A415-C418 PolarHBondContact O-N 3.13Å; A415-C418 VanDerWaalsContact O-N 3.13Å; A415-Y419 HydrophobicContact CB-CE2 4.25Å; A415-Y419 VanDerWaalsContact O-CD2 3.32Å; A415-Y419 WeakPolarHBondContact O-CD2 3.46Å; A415-Y419 VanDerWaalsContact O-CG 3.27Å; A415-Y419 PolarHBondContact O-N 3.08Å |
| 416 | L | 96.3 | Very high | 95 | Very high | 48 Ų | 48 | 68.1 Ų | 68.1 | 25% | 0.251 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.3 | -37.5 | 176 | -74.7 | 171.8 | 0 | 0 | 0 | 112.5 | L412 R420 L434 L437 | L412-L416 WeakPolarHBondContact O-CB 3.39Å; L412-L416 WeakPolarHBondContact O-CG 3.19Å; L412-L416 PolarHBondContact O-N 3.12Å; L416-R420 WeakPolarHBondContact O-CB 3.44Å; L416-R420 VanDerWaalsContact O-CG 3.32Å; L416-R420 WeakPolarHBondContact O-CG 3.32Å; L416-R420 PolarHBondContact O-N 3.28Å; L416-L434 HydrophobicContact CD2-CD2 3.83Å; L416-L437 HydrophobicContact CD2-CB 4.47Å; L416-L437 HydrophobicContact CD2-CD1 3.75Å |
| 417 | R | 96.3 | Very high | 95.1 | Very high | 130 Ų | 130 | 65.8 Ų | 65.8 | 49% | 0.491 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 174.8 | -171.7 | -168.6 | -172.1 | 172.7 | 1.4 | 111.7 | R413 E414 A415 R420 Q421 | R413-R417 PolarHBondContact O-N 3.38Å; R413-R417 VanDerWaalsContact O-N 3.1Å; E414-R417 WeakPolarHBondContact O-CB 3.38Å; E414-R417 PolarHBondContact O-N 3.12Å; E414-R417 IonicContact OE1-NH1 3.3Å; E414-R417 PolarHBondContact OE1-NH1 3.33Å; E414-R417 WeakPolarHBondContact OE2-CD 3.25Å; E414-R417 IonicContact OE2-NH1 3.24Å; E414-R417 PolarHBondContact OE2-NH1 2.98Å; A415-R417 VanDerWaalsContact C-N 3.27Å; A415-R417 PolarHBondContact O-N 3.04Å; R417-R420 PolarHBondContact O-N 3.44Å; R417-Q421 WeakPolarHBondContact O-CB 3.42Å; R417-Q421 WeakPolarHBondContact O-CG 3.32Å; R417-Q421 PolarHBondContact O-N 2.91Å |
| 418 | C | 96.5 | Very high | 95.3 | Very high | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.054 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 176.8 | -69.3 | 0 | 0 | 0 | 0 | 111.2 | R395 E414 A415 Q421 S422 | R395-C418 HydrophobicContact CG-CB 4.31Å; E414-C418 WeakPolarHBondContact O-CB 3.18Å; E414-C418 PolarHBondContact O-N 3.18Å; E414-C418 PolarHBondContact O-SG 2.98Å; A415-C418 WeakPolarHBondContact O-CB 3.29Å; A415-C418 PolarHBondContact O-N 3.13Å; A415-C418 VanDerWaalsContact O-N 3.13Å; C418-Q421 PolarHBondContact O-N 2.92Å; C418-S422 WeakPolarHBondContact O-CB 3.48Å; C418-S422 PolarHBondContact O-N 3.1Å |
| 419 | Y | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 69.6 Ų | 69.6 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.7 | -48 | 176.6 | -60 | -34 | 0 | 0 | 0 | 112.2 | Y396 I400 E403 A415 Q421 S422 A423 R433 L437 | Y396-Y419 AromaticContact CD2-CD1 3.67Å; Y396-Y419 HydrophobicContact CD2-CD1 3.67Å; Y396-Y419 AromaticContact CD2-CE1 3.68Å; Y396-Y419 HydrophobicContact CD2-CE1 3.68Å; Y396-Y419 HydrophobicContact CE2-CD1 4.12Å; Y396-Y419 AromaticContact CE2-CE1 3.82Å; Y396-Y419 HydrophobicContact CE2-CE1 3.82Å; Y396-Y419 WeakPolarHBondContact O-CE1 3.42Å; I400-Y419 WeakPolarHBondContact CA-OH 3.36Å; I400-Y419 HydrophobicContact CG1-CE1 4.14Å; I400-Y419 WeakPolarHBondContact CG1-OH 3.41Å; I400-Y419 PolarHBondContact N-OH 3.38Å; E403-Y419 WeakPolarHBondContact OE2-CE2 3.33Å; E403-Y419 PolarHBondContact OE2-OH 3.23Å; A415-Y419 HydrophobicContact CB-CE2 4.25Å; A415-Y419 VanDerWaalsContact O-CD2 3.32Å; A415-Y419 WeakPolarHBondContact O-CD2 3.46Å; A415-Y419 VanDerWaalsContact O-CG 3.27Å; A415-Y419 PolarHBondContact O-N 3.08Å; Y419-Q421 VanDerWaalsContact C-N 3.35Å; Y419-Q421 PolarHBondContact O-N 3.02Å; Y419-S422 PolarHBondContact O-N 3.13Å; Y419-S422 VanDerWaalsContact O-N 3.15Å; Y419-A423 VanDerWaalsContact O-CB 3.25Å; Y419-A423 WeakPolarHBondContact O-CB 3.36Å; Y419-A423 PolarHBondContact O-N 2.86Å; Y419-R433 HydrophobicContact CD2-CG 4.14Å; Y419-R433 HydrophobicContact CE1-CG 4.27Å; Y419-R433 HydrophobicContact CE2-CG 3.67Å; Y419-L437 HydrophobicContact CD2-CD1 3.98Å; Y419-L437 HydrophobicContact CE2-CD1 3.83Å |
| 420 | R | 96.8 | Very high | 95.4 | Very high | 146 Ų | 146 | 61.5 Ų | 61.5 | 55% | 0.551 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.2 | -44.6 | 177.3 | -76.3 | 175.6 | 177.8 | 174.5 | -0.4 | 112.3 | L416 R417 A424 L434 | L416-R420 WeakPolarHBondContact O-CB 3.44Å; L416-R420 VanDerWaalsContact O-CG 3.32Å; L416-R420 WeakPolarHBondContact O-CG 3.32Å; L416-R420 PolarHBondContact O-N 3.28Å; R417-R420 PolarHBondContact O-N 3.44Å; R420-A424 WeakPolarHBondContact O-CB 3.39Å; R420-A424 PolarHBondContact O-N 3.39Å; R420-L434 HydrophobicContact CG-CD1 3.96Å; R420-L434 HydrophobicContact CG-CD2 3.98Å |
| 421 | Q | 96.1 | Very high | 95.3 | Very high | 82 Ų | 82 | 58 Ų | 58 | 38% | 0.383 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 176.4 | -76.3 | -179.5 | -4.3 | 0 | 0 | 112.6 | R395 R417 C418 Y419 L425 | R395-Q421 VanDerWaalsContact CD-CB 3.48Å; R417-Q421 WeakPolarHBondContact O-CB 3.42Å; R417-Q421 WeakPolarHBondContact O-CG 3.32Å; R417-Q421 PolarHBondContact O-N 2.91Å; C418-Q421 PolarHBondContact O-N 2.92Å; Y419-Q421 VanDerWaalsContact C-N 3.35Å; Y419-Q421 PolarHBondContact O-N 3.02Å; Q421-L425 WeakPolarHBondContact O-CG 3.49Å; Q421-L425 PolarHBondContact O-N 3.44Å |
| 422 | S | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -70.5 | -42.7 | 176.9 | -174.9 | 0 | 0 | 0 | 0 | 112.2 | S392 C418 Y419 A424 L425 G426 N427 | S392-S422 PolarHBondContact O-OG 3.03Å; C418-S422 WeakPolarHBondContact O-CB 3.48Å; C418-S422 PolarHBondContact O-N 3.1Å; Y419-S422 PolarHBondContact O-N 3.13Å; Y419-S422 VanDerWaalsContact O-N 3.15Å; S422-A424 VanDerWaalsContact C-N 3.32Å; S422-A424 PolarHBondContact O-N 3.43Å; S422-L425 CarbonylContact O-C 3.49Å; S422-L425 WeakPolarHBondContact O-CA 3.24Å; S422-L425 WeakPolarHBondContact O-CB 3.41Å; S422-L425 PolarHBondContact O-N 3.3Å; S422-G426 PolarHBondContact O-N 2.91Å; S422-N427 VanDerWaalsContact O-CB 3.29Å; S422-N427 WeakPolarHBondContact O-CB 3.46Å; S422-N427 PolarHBondContact O-N 3.38Å; S422-N427 VanDerWaalsContact O-N 3.1Å; S422-N427 WeakPolarHBondContact OG-CB 3.33Å; S422-N427 PolarHBondContact OG-ND2 3.47Å; S422-N427 VanDerWaalsContact OG-ND2 3.07Å |
| 423 | A | 96.4 | Very high | 95.3 | Very high | 14 Ų | 14 | 61.1 Ų | 61.1 | 12% | 0.116 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.1 | -37 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y419 L425 G426 A430 Q431 L434 | Y419-A423 VanDerWaalsContact O-CB 3.25Å; Y419-A423 WeakPolarHBondContact O-CB 3.36Å; Y419-A423 PolarHBondContact O-N 2.86Å; A423-L425 VanDerWaalsContact C-N 3.27Å; A423-L425 PolarHBondContact O-N 2.92Å; A423-G426 WeakPolarHBondContact O-CA 3.35Å; A423-G426 PolarHBondContact O-N 3.15Å; A423-A430 HydrophobicContact CB-CB 4.18Å; A423-Q431 HydrophobicContact CB-CG 3.54Å; A423-Q431 PolarHBondContact O-NE2 3.44Å; A423-Q431 VanDerWaalsContact O-NE2 3.1Å; A423-L434 HydrophobicContact CB-CD1 3.87Å |
| 424 | A | 94.7 | Very high | 95.3 | Very high | 87 Ų | 87 | 54.1 Ų | 54.1 | 72% | 0.719 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -67.8 | -24.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R420 S422 G426 | R420-A424 WeakPolarHBondContact O-CB 3.39Å; R420-A424 PolarHBondContact O-N 3.39Å; S422-A424 VanDerWaalsContact C-N 3.32Å; S422-A424 PolarHBondContact O-N 3.43Å; A424-G426 PolarHBondContact O-N 2.91Å |
| 425 | L | 93.3 | Very high | 95.3 | Very high | 95 Ų | 95 | 58.3 Ų | 58.3 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 13.2 | 167.4 | -61.8 | 172.3 | 0 | 0 | 0 | 112.2 | Q421 S422 A423 | Q421-L425 WeakPolarHBondContact O-CG 3.49Å; Q421-L425 PolarHBondContact O-N 3.44Å; S422-L425 CarbonylContact O-C 3.49Å; S422-L425 WeakPolarHBondContact O-CA 3.24Å; S422-L425 WeakPolarHBondContact O-CB 3.41Å; S422-L425 PolarHBondContact O-N 3.3Å; A423-L425 VanDerWaalsContact C-N 3.27Å; A423-L425 PolarHBondContact O-N 2.92Å |
| 426 | G | 92.5 | Very high | 95 | Very high | 20 Ų | 20 | 59.9 Ų | 59.9 | 21% | 0.206 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 14.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S422 A423 A424 E428 R490 | S422-G426 PolarHBondContact O-N 2.91Å; A423-G426 WeakPolarHBondContact O-CA 3.35Å; A423-G426 PolarHBondContact O-N 3.15Å; A424-G426 PolarHBondContact O-N 2.91Å; G426-E428 PolarHBondContact O-N 3.07Å; G426-R490 VanDerWaalsContact O-CZ 3.23Å; G426-R490 PolarHBondContact O-NH1 2.98Å; G426-R490 PolarHBondContact O-NH2 3.48Å |
| 427 | N | 95.6 | Very high | 94.7 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | trans | -69.9 | 114.5 | 177.8 | -172.6 | -22.7 | 0 | 0 | 0 | 111.1 | S392 Q393 Y396 S422 A429 A430 Q431 | S392-N427 PolarHBondContact O-ND2 2.8Å; Q393-N427 PolarHBondContact NE2-ND2 3.37Å; Q393-N427 PolarHBondContact NE2-OD1 2.9Å; Q393-N427 PolarHBondContact OE1-ND2 3.49Å; Y396-N427 WeakPolarHBondContact CB-ND2 3.45Å; S422-N427 VanDerWaalsContact O-CB 3.29Å; S422-N427 WeakPolarHBondContact O-CB 3.46Å; S422-N427 PolarHBondContact O-N 3.38Å; S422-N427 VanDerWaalsContact O-N 3.1Å; S422-N427 WeakPolarHBondContact OG-CB 3.33Å; S422-N427 PolarHBondContact OG-ND2 3.47Å; S422-N427 VanDerWaalsContact OG-ND2 3.07Å; N427-A429 PolarHBondContact OD1-N 2.61Å; N427-A429 VanDerWaalsContact OD1-N 3.11Å; N427-A430 HydrophobicContact CB-CB 3.93Å; N427-A430 PolarHBondContact O-N 3.36Å; N427-A430 PolarHBondContact OD1-N 2.99Å; N427-Q431 WeakPolarHBondContact O-CG 3.32Å; N427-Q431 PolarHBondContact O-N 3.44Å; N427-Q431 VanDerWaalsContact O-N 3.14Å | ||
| 428 | E | 95.4 | Very high | 94.3 | Very high | 112 Ų | 112 | 57.1 Ų | 57.1 | 52% | 0.523 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.2 | -49.9 | 179.6 | -79.1 | 152.6 | -157.6 | 0 | 0 | 112 | G426 A430 Q431 E432 R490 | G426-E428 PolarHBondContact O-N 3.07Å; E428-A430 PolarHBondContact O-N 3.44Å; E428-A430 VanDerWaalsContact O-N 3.14Å; E428-Q431 WeakPolarHBondContact O-CA 3.41Å; E428-Q431 WeakPolarHBondContact O-CB 3.39Å; E428-Q431 PolarHBondContact O-N 3.07Å; E428-E432 WeakPolarHBondContact O-CG 3.31Å; E428-E432 PolarHBondContact O-N 3.29Å; E428-R490 IonicContact OE1-CZ 3.77Å; E428-R490 IonicContact OE1-NE 3.42Å; E428-R490 IonicContact OE1-NH2 2.7Å; E428-R490 PolarHBondContact OE1-NH2 3.1Å; E428-R490 IonicContact OE2-NH2 2.65Å |
| 429 | A | 94.4 | Very high | 93.9 | Very high | 27 Ų | 27 | 59.9 Ų | 59.9 | 22% | 0.223 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.9 | -31.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y396 N427 R433 | Y396-A429 HydrophobicContact CD1-CB 4.17Å; Y396-A429 HydrophobicContact CE1-CB 3.68Å; Y396-A429 HydrophobicContact CE2-CB 4.29Å; Y396-A429 WeakPolarHBondContact CE2-O 3.15Å; N427-A429 PolarHBondContact OD1-N 2.61Å; N427-A429 VanDerWaalsContact OD1-N 3.11Å; A429-R433 VanDerWaalsContact O-CB 3.31Å; A429-R433 WeakPolarHBondContact O-CB 3.29Å; A429-R433 PolarHBondContact O-N 2.85Å |
| 430 | A | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -73.5 | -34.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y396 A423 N427 E428 L434 | Y396-A430 HydrophobicContact CD2-CB 3.77Å; Y396-A430 HydrophobicContact CG-CB 4.33Å; A423-A430 HydrophobicContact CB-CB 4.18Å; N427-A430 HydrophobicContact CB-CB 3.93Å; N427-A430 PolarHBondContact O-N 3.36Å; N427-A430 PolarHBondContact OD1-N 2.99Å; E428-A430 PolarHBondContact O-N 3.44Å; E428-A430 VanDerWaalsContact O-N 3.14Å; A430-L434 VanDerWaalsContact O-CG 3.29Å; A430-L434 WeakPolarHBondContact O-CG 3.36Å; A430-L434 PolarHBondContact O-N 2.92Å; A430-L434 VanDerWaalsContact O-N 3.14Å |
| 431 | Q | 94.8 | Very high | 92.2 | Very high | 90 Ų | 90 | 63.8 Ų | 63.8 | 42% | 0.421 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.7 | -47.6 | 173.9 | -69 | 168.1 | 3.8 | 0 | 0 | 110.6 | A423 N427 E428 R433 L434 Q435 | A423-Q431 HydrophobicContact CB-CG 3.54Å; A423-Q431 PolarHBondContact O-NE2 3.44Å; A423-Q431 VanDerWaalsContact O-NE2 3.1Å; N427-Q431 WeakPolarHBondContact O-CG 3.32Å; N427-Q431 PolarHBondContact O-N 3.44Å; N427-Q431 VanDerWaalsContact O-N 3.14Å; E428-Q431 WeakPolarHBondContact O-CA 3.41Å; E428-Q431 WeakPolarHBondContact O-CB 3.39Å; E428-Q431 PolarHBondContact O-N 3.07Å; Q431-R433 PolarHBondContact O-N 2.74Å; Q431-L434 PolarHBondContact O-N 3.08Å; Q431-Q435 PolarHBondContact O-N 2.95Å |
| 432 | E | 95 | Very high | 91 | Very high | 127 Ų | 127 | 64.2 Ų | 64.2 | 59% | 0.593 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -58.4 | -46.4 | 175.1 | -68.8 | 173.6 | 177.6 | 0 | 0 | 111.9 | E428 L434 Q435 A436 | E428-E432 WeakPolarHBondContact O-CG 3.31Å; E428-E432 PolarHBondContact O-N 3.29Å; E432-L434 VanDerWaalsContact C-N 3.33Å; E432-L434 PolarHBondContact O-N 3.11Å; E432-Q435 PolarHBondContact O-N 2.59Å; E432-A436 WeakPolarHBondContact O-CB 3.38Å; E432-A436 PolarHBondContact O-N 3.43Å |
| 433 | R | 94.3 | Very high | 89.6 | Confident | 72 Ų | 72 | 68 Ų | 68 | 27% | 0.272 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 178.4 | -169.3 | 71.3 | -165.7 | 138.4 | -4.1 | 112.1 | Y396 E403 Y419 A429 Q431 L437 | Y396-R433 HydrophobicContact CE2-CB 3.95Å; Y396-R433 HydrophobicContact CE2-CG 4.38Å; E403-R433 IonicContact OE1-CZ 3.57Å; E403-R433 IonicContact OE1-NE 3.64Å; E403-R433 IonicContact OE1-NH2 3.61Å; E403-R433 PolarHBondContact OE1-NH2 2.87Å; E403-R433 IonicContact OE2-CZ 3.82Å; E403-R433 IonicContact OE2-NE 3.55Å; E403-R433 PolarHBondContact OE2-NE 2.86Å; E403-R433 IonicContact OE2-NH2 2.95Å; E403-R433 PolarHBondContact OE2-NH2 2.93Å; Y419-R433 HydrophobicContact CD2-CG 4.14Å; Y419-R433 HydrophobicContact CE1-CG 4.27Å; Y419-R433 HydrophobicContact CE2-CG 3.67Å; A429-R433 VanDerWaalsContact O-CB 3.31Å; A429-R433 WeakPolarHBondContact O-CB 3.29Å; A429-R433 PolarHBondContact O-N 2.85Å; Q431-R433 PolarHBondContact O-N 2.74Å; R433-L437 HydrophobicContact CG-CD1 4.3Å; R433-L437 VanDerWaalsContact O-CG 3.28Å; R433-L437 WeakPolarHBondContact O-CG 3.28Å; R433-L437 PolarHBondContact O-N 3.48Å |
| 434 | L | 93.8 | Very high | 87.8 | Confident | 16 Ų | 16 | 69.4 Ų | 69.4 | 8% | 0.084 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.9 | -46 | 173.6 | -76.2 | 167.7 | 0 | 0 | 0 | 111.8 | L416 R420 A423 A430 Q431 E432 A436 L437 F438 | L416-L434 HydrophobicContact CD2-CD2 3.83Å; R420-L434 HydrophobicContact CG-CD1 3.96Å; R420-L434 HydrophobicContact CG-CD2 3.98Å; A423-L434 HydrophobicContact CB-CD1 3.87Å; A430-L434 VanDerWaalsContact O-CG 3.29Å; A430-L434 WeakPolarHBondContact O-CG 3.36Å; A430-L434 PolarHBondContact O-N 2.92Å; A430-L434 VanDerWaalsContact O-N 3.14Å; Q431-L434 PolarHBondContact O-N 3.08Å; E432-L434 VanDerWaalsContact C-N 3.33Å; E432-L434 PolarHBondContact O-N 3.11Å; L434-A436 VanDerWaalsContact C-N 3.31Å; L434-A436 PolarHBondContact O-N 3.48Å; L434-L437 PolarHBondContact O-N 2.76Å; L434-F438 HydrophobicContact CB-CD2 4.45Å; L434-F438 HydrophobicContact CB-CE2 4.13Å; L434-F438 HydrophobicContact CD2-CE2 4.1Å; L434-F438 HydrophobicContact CD2-CZ 4.37Å; L434-F438 WeakPolarHBondContact O-CD2 3.47Å; L434-F438 PolarHBondContact O-N 2.95Å |
| 435 | Q | 92.6 | Very high | 85.6 | Confident | 145 Ų | 145 | 71.6 Ų | 71.6 | 68% | 0.678 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.4 | -42.4 | 178.7 | -171.9 | 175.8 | 5.7 | 0 | 0 | 111.4 | Q431 E432 F438 S439 | Q431-Q435 PolarHBondContact O-N 2.95Å; E432-Q435 PolarHBondContact O-N 2.59Å; Q435-F438 PolarHBondContact O-N 3.14Å; Q435-S439 WeakPolarHBondContact O-CB 3.25Å; Q435-S439 PolarHBondContact O-N 2.89Å; Q435-S439 PolarHBondContact O-OG 3.14Å |
| 436 | A | 91.8 | Very high | 83.7 | Confident | 34 Ų | 34 | 69.7 Ų | 69.7 | 28% | 0.281 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64 | -37.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E432 L434 S439 M440 | E432-A436 WeakPolarHBondContact O-CB 3.38Å; E432-A436 PolarHBondContact O-N 3.43Å; L434-A436 VanDerWaalsContact C-N 3.31Å; L434-A436 PolarHBondContact O-N 3.48Å; A436-S439 PolarHBondContact O-OG 3Å; A436-S439 VanDerWaalsContact O-OG 3.12Å; A436-M440 WeakPolarHBondContact O-CB 3.48Å; A436-M440 VanDerWaalsContact O-CG 3.25Å; A436-M440 WeakPolarHBondContact O-CG 3.45Å; A436-M440 PolarHBondContact O-N 3.28Å; A436-M440 VanDerWaalsContact O-N 3.13Å |
| 437 | L | 89 | Confident | 81.7 | Confident | 37 Ų | 37 | 75.2 Ų | 75.2 | 19% | 0.194 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -69.8 | -43 | 177.1 | -71.9 | 168.9 | 0 | 0 | 0 | 111.8 | L416 Y419 R433 L434 M440 E441 | L416-L437 HydrophobicContact CD2-CB 4.47Å; L416-L437 HydrophobicContact CD2-CD1 3.75Å; Y419-L437 HydrophobicContact CD2-CD1 3.98Å; Y419-L437 HydrophobicContact CE2-CD1 3.83Å; R433-L437 HydrophobicContact CG-CD1 4.3Å; R433-L437 VanDerWaalsContact O-CG 3.28Å; R433-L437 WeakPolarHBondContact O-CG 3.28Å; R433-L437 PolarHBondContact O-N 3.48Å; L434-L437 PolarHBondContact O-N 2.76Å; L437-M440 PolarHBondContact O-N 3.14Å; L437-E441 WeakPolarHBondContact O-CB 3.5Å; L437-E441 PolarHBondContact O-N 3.11Å |
| 438 | F | 87.8 | Confident | 79.1 | Confident | 83 Ų | 83 | 78.6 Ų | 78.6 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.7 | -32.8 | 177.2 | -64.6 | -52.9 | 0 | 0 | 0 | 113.2 | L434 Q435 E441 A442 | L434-F438 HydrophobicContact CB-CD2 4.45Å; L434-F438 HydrophobicContact CB-CE2 4.13Å; L434-F438 HydrophobicContact CD2-CE2 4.1Å; L434-F438 HydrophobicContact CD2-CZ 4.37Å; L434-F438 WeakPolarHBondContact O-CD2 3.47Å; L434-F438 PolarHBondContact O-N 2.95Å; Q435-F438 PolarHBondContact O-N 3.14Å; F438-E441 PolarHBondContact O-N 2.87Å; F438-A442 WeakPolarHBondContact O-CB 3.08Å; F438-A442 PolarHBondContact O-N 3.24Å |
| 439 | S | 87.8 | Confident | 76.5 | Confident | 67 Ų | 67 | 80.5 Ų | 80.5 | 47% | 0.469 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.7 | -35.6 | 175.1 | 65.2 | 0 | 0 | 0 | 0 | 112.3 | Q435 A436 A443 | Q435-S439 WeakPolarHBondContact O-CB 3.25Å; Q435-S439 PolarHBondContact O-N 2.89Å; Q435-S439 PolarHBondContact O-OG 3.14Å; A436-S439 PolarHBondContact O-OG 3Å; A436-S439 VanDerWaalsContact O-OG 3.12Å; S439-A443 VanDerWaalsContact O-CB 3.29Å; S439-A443 WeakPolarHBondContact O-CB 3.42Å; S439-A443 PolarHBondContact O-N 3.41Å; S439-A443 VanDerWaalsContact O-N 3.08Å |
| 440 | M | 81.2 | Confident | 74.2 | Confident | 126 Ų | 126 | 84.4 Ų | 84.4 | 62% | 0.621 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.9 | -42.4 | 170.2 | -74.5 | 176.6 | 65.4 | 0 | 0 | 112.1 | A436 L437 A443 A444 | A436-M440 WeakPolarHBondContact O-CB 3.48Å; A436-M440 VanDerWaalsContact O-CG 3.25Å; A436-M440 WeakPolarHBondContact O-CG 3.45Å; A436-M440 PolarHBondContact O-N 3.28Å; A436-M440 VanDerWaalsContact O-N 3.13Å; L437-M440 PolarHBondContact O-N 3.14Å; M440-A443 PolarHBondContact O-N 3.43Å; M440-A444 PolarHBondContact O-N 3.36Å |
| 441 | E | 77 | Confident | 71.4 | Confident | 103 Ų | 103 | 88.4 Ų | 88.4 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 177.3 | -169.8 | 172.6 | -163.8 | 0 | 0 | 111.7 | L437 F438 A443 | L437-E441 WeakPolarHBondContact O-CB 3.5Å; L437-E441 PolarHBondContact O-N 3.11Å; F438-E441 PolarHBondContact O-N 2.87Å; E441-A443 VanDerWaalsContact C-N 3.34Å; E441-A443 PolarHBondContact O-N 2.65Å |
| 442 | A | 71 | Confident | 68.9 | Low | 90 Ų | 90 | 90 Ų | 90 | 74% | 0.744 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -72.5 | -21.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F438 | F438-A442 WeakPolarHBondContact O-CB 3.08Å; F438-A442 PolarHBondContact O-N 3.24Å |
| 443 | A | 67.7 | Low | 65.9 | Low | 79 Ų | 79 | 88.8 Ų | 88.8 | 65% | 0.653 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -91.7 | -6.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S439 M440 E441 P445 | S439-A443 VanDerWaalsContact O-CB 3.29Å; S439-A443 WeakPolarHBondContact O-CB 3.42Å; S439-A443 PolarHBondContact O-N 3.41Å; S439-A443 VanDerWaalsContact O-N 3.08Å; M440-A443 PolarHBondContact O-N 3.43Å; E441-A443 VanDerWaalsContact C-N 3.34Å; E441-A443 PolarHBondContact O-N 2.65Å; A443-P445 WeakPolarHBondContact O-CD 3.41Å |
| 444 | A | 59.6 | Low | 63 | Low | 44 Ų | 44 | 87.4 Ų | 87.4 | 36% | 0.364 | 55% | 0.547 | S | S | . | . | S | Bend | trans | -78.9 | 120.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | M440 G446 | M440-A444 PolarHBondContact O-N 3.36Å; A444-G446 PolarHBondContact O-N 3.1Å |
| 445 | P | 47.3 | Very low | 60.2 | Low | 134 Ų | 134 | 95.6 Ų | 95.6 | 87% | 0.87 | 59% | 0.589 | S | S | * | * | trans | -81.4 | 109.5 | -179 | 31.5 | -33 | 0 | 0 | 0 | 111.6 | A443 | A443-P445 WeakPolarHBondContact O-CD 3.41Š| ||
| 446 | G | 54.5 | Low | 57.2 | Low | 54 Ų | 54 | 96.3 Ų | 96.3 | 56% | 0.557 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 81.1 | 174.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115 | A444 S448 | A444-G446 PolarHBondContact O-N 3.1Å; G446-S448 PolarHBondContact O-N 2.81Å |
| 447 | P | 49.5 | Very low | 54.7 | Low | 137 Ų | 137 | 100.5 Ų | 100.5 | 89% | 0.89 | 62% | 0.617 | S | S | * | * | trans | -76.2 | 86.6 | -163.6 | 31.9 | -36 | 0 | 0 | 0 | 111.5 | ||||
| 448 | S | 42.2 | Very low | 52 | Low | 74 Ų | 74 | 107.3 Ų | 107.3 | 52% | 0.517 | 65% | 0.646 | S | S | . | * | trans | -76.7 | 146.9 | 157.6 | 45.2 | 0 | 0 | 0 | 0 | 109.2 | G446 L450 | G446-S448 PolarHBondContact O-N 2.81Å; S448-L450 PolarHBondContact O-N 3.06Å | ||
| 449 | D | 39.7 | Very low | 49.4 | Very low | 151 Ų | 151 | 108.9 Ų | 108.9 | 81% | 0.807 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -70.4 | 37.2 | -169.4 | -70.2 | -63.3 | 0 | 0 | 0 | 116.1 | T451 | D449-T451 PolarHBondContact O-N 3.18Å; D449-T451 VanDerWaalsContact O-N 3.12Å |
| 450 | L | 46.3 | Very low | 46.7 | Very low | 109 Ų | 109 | 110.5 Ų | 110.5 | 57% | 0.571 | 68% | 0.678 | S | S | * | * | trans | -78.2 | 46.3 | 153.4 | -72.9 | 172.2 | 0 | 0 | 0 | 110.3 | L412 S448 V452 | L412-L450 HydrophobicContact CD1-CD2 4.13Å; S448-L450 PolarHBondContact O-N 3.06Å; L450-V452 PolarHBondContact O-N 2.7Å | ||
| 451 | T | 35.7 | Very low | 44.4 | Very low | 85 Ų | 85 | 110.3 Ų | 110.3 | 52% | 0.521 | 69% | 0.687 | S | S | . | * | trans | -65.4 | 107.8 | 172.9 | 60.3 | 0 | 0 | 0 | 0 | 108.6 | D449 T453 | D449-T451 PolarHBondContact O-N 3.18Å; D449-T451 VanDerWaalsContact O-N 3.12Å; T451-T453 PolarHBondContact O-N 3.42Å; T451-T453 PolarHBondContact O-OG1 2.73Å; T451-T453 PolarHBondContact OG1-OG1 3.12Å | ||
| 452 | V | 43.7 | Very low | 42.4 | Very low | 122 Ų | 122 | 109.9 Ų | 109.9 | 74% | 0.739 | 70% | 0.695 | S | S | * | * | trans | -70.8 | 60.8 | 164.6 | -174.5 | 0 | 0 | 0 | 0 | 107.9 | L450 G454 | L450-V452 PolarHBondContact O-N 2.7Å; V452-G454 PolarHBondContact O-N 2.93Å | ||
| 453 | T | 31.5 | Very low | 40.8 | Very low | 102 Ų | 102 | 110 Ų | 110 | 63% | 0.626 | 68% | 0.683 | S | S | * | * | trans | -75.5 | 119.7 | 176.6 | 33.7 | 0 | 0 | 0 | 0 | 109 | T451 | T451-T453 PolarHBondContact O-N 3.42Å; T451-T453 PolarHBondContact O-OG1 2.73Å; T451-T453 PolarHBondContact OG1-OG1 3.12Å | ||
| 454 | G | 32.7 | Very low | 39 | Very low | 44 Ų | 44 | 110.5 Ų | 110.5 | 45% | 0.454 | 68% | 0.68 | S | S | . | * | trans | 71.3 | 95.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V452 K456 | V452-G454 PolarHBondContact O-N 2.93Å; G454-K456 PolarHBondContact O-N 3.19Å | ||
| 455 | L | 35.4 | Very low | 37.7 | Very low | 187 Ų | 187 | 113.4 Ų | 113.4 | 98% | 0.979 | 70% | 0.698 | S | S | * | * | trans | -62 | 74.5 | 135.8 | -75.3 | 166.1 | 0 | 0 | 0 | 108.9 | ||||
| 456 | K | 28.9 | Very low | 37.2 | Very low | 161 Ų | 161 | 111.1 Ų | 111.1 | 70% | 0.7 | 68% | 0.678 | S | S | * | * | trans | -111.9 | 124.7 | 161.5 | -75.4 | -171.8 | 176.7 | 179.6 | 0 | 107.9 | G454 F458 | G454-K456 PolarHBondContact O-N 3.19Å; K456-F458 HydrophobicContact CB-CD2 4.09Å; K456-F458 HydrophobicContact CB-CE2 3.69Å; K456-F458 PolarHBondContact O-N 3.05Å | ||
| 457 | S | 40 | Very low | 36.1 | Very low | 121 Ų | 121 | 113.9 Ų | 113.9 | 85% | 0.846 | 68% | 0.68 | S | S | * | * | trans | -59.1 | 103.1 | 177.6 | 49.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 458 | F | 33 | Very low | 35.2 | Very low | 181 Ų | 181 | 112.7 Ų | 112.7 | 79% | 0.794 | 67% | 0.671 | S | S | * | * | trans | -125 | 135.3 | 164.9 | -69.7 | -70.5 | 0 | 0 | 0 | 109 | K456 | K456-F458 HydrophobicContact CB-CD2 4.09Å; K456-F458 HydrophobicContact CB-CE2 3.69Å; K456-F458 PolarHBondContact O-N 3.05Å | ||
| 459 | S | 32 | Very low | 34.9 | Very low | 116 Ų | 116 | 117.3 Ų | 117.3 | 81% | 0.811 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 141.4 | -172.2 | 39.8 | 0 | 0 | 0 | 0 | 112.4 | ||
| 460 | S | 32 | Very low | 34.8 | Very low | 100 Ų | 100 | 116.4 Ų | 116.4 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 137.2 | 171.6 | -49.4 | 0 | 0 | 0 | 0 | 111.2 | S462 | S460-S462 PolarHBondContact O-N 2.99Š|
| 461 | P | 33.8 | Very low | 34 | Very low | 123 Ų | 123 | 116.2 Ų | 116.2 | 80% | 0.799 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 129.8 | 166.3 | 27.5 | -32.8 | 0 | 0 | 0 | 108.2 | L463 | P461-L463 PolarHBondContact O-N 3.43Š|
| 462 | S | 33.5 | Very low | 33.8 | Very low | 93 Ų | 93 | 115.4 Ų | 115.4 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 130.3 | -171.3 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | S460 C464 | S460-S462 PolarHBondContact O-N 2.99Å; S462-C464 VanDerWaalsContact CB-SG 3.6Å; S462-C464 PolarHBondContact O-N 3.22Å |
| 463 | L | 37.9 | Very low | 33.2 | Very low | 93 Ų | 93 | 116.2 Ų | 116.2 | 49% | 0.487 | 71% | 0.711 | S | S | . | * | trans | -74.6 | 42.4 | 172 | -69.5 | 170.3 | 0 | 0 | 0 | 112.1 | W384 P461 S465 L466 | W384-L463 HydrophobicContact CZ2-CD1 4.5Å; P461-L463 PolarHBondContact O-N 3.43Å; L463-S465 PolarHBondContact O-N 2.95Å; L463-S465 VanDerWaalsContact O-N 3.15Å; L463-L466 PolarHBondContact O-N 3.41Å | ||
| 464 | C | 30.4 | Very low | 33.1 | Very low | 90 Ų | 90 | 116.8 Ų | 116.8 | 61% | 0.608 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -14.9 | -176 | -78 | 0 | 0 | 0 | 0 | 114 | S462 T468 | S462-C464 VanDerWaalsContact CB-SG 3.6Å; S462-C464 PolarHBondContact O-N 3.22Å; C464-T468 PolarHBondContact O-OG1 3.26Å |
| 465 | S | 31.3 | Very low | 32.8 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -9.9 | -179 | 55.1 | 0 | 0 | 0 | 0 | 115.4 | L463 | L463-S465 PolarHBondContact O-N 2.95Å; L463-S465 VanDerWaalsContact O-N 3.15Å |
| 466 | L | 38 | Very low | 32.6 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 45% | 0.45 | 74% | 0.735 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.8 | -20.6 | 178.1 | -71.2 | 175.8 | 0 | 0 | 0 | 113.8 | L463 T468 | L463-L466 PolarHBondContact O-N 3.41Å; L466-T468 VanDerWaalsContact C-N 3.34Å |
| 467 | N | 31.5 | Very low | 33 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -74.7 | -22.2 | -179.6 | -75 | -15.3 | 0 | 0 | 0 | 113.5 | L469 L470 | N467-L469 PolarHBondContact O-N 3.48Å; N467-L470 PolarHBondContact O-N 2.91Å; N467-L470 VanDerWaalsContact O-N 3.09Å |
| 468 | T | 30.7 | Very low | 32.6 | Very low | 113 Ų | 113 | 126 Ų | 126 | 69% | 0.693 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -68 | -4.2 | -174.7 | -14.1 | 0 | 0 | 0 | 0 | 114.8 | C464 L466 | C464-T468 PolarHBondContact O-OG1 3.26Å; L466-T468 VanDerWaalsContact C-N 3.34Å |
| 469 | L | 35.2 | Very low | 32.3 | Very low | 171 Ų | 171 | 122.1 Ų | 122.1 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -119 | 4.5 | 175.4 | -75.6 | 166.7 | 0 | 0 | 0 | 113.6 | N467 | N467-L469 PolarHBondContact O-N 3.48Š|
| 470 | L | 37.6 | Very low | 32 | Very low | 132 Ų | 132 | 122 Ų | 122 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | trans | -98.6 | -4.2 | 179.3 | -101.4 | 141.9 | 0 | 0 | 0 | 113.7 | N467 G472 | N467-L470 PolarHBondContact O-N 2.91Å; N467-L470 VanDerWaalsContact O-N 3.09Å; L470-G472 PolarHBondContact O-N 3.37Å | ||
| 471 | A | 28.2 | Very low | 32 | Very low | 104 Ų | 104 | 122.3 Ų | 122.3 | 86% | 0.86 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 68.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 472 | G | 33.4 | Very low | 31.9 | Very low | 68 Ų | 68 | 121.3 Ų | 121.3 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.8 | -15.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | L470 | L470-G472 PolarHBondContact O-N 3.37Š|
| 473 | T | 29.6 | Very low | 31.8 | Very low | 139 Ų | 139 | 120.1 Ų | 120.1 | 85% | 0.853 | 73% | 0.734 | S | S | * | * | trans | -145.6 | 99.7 | -178.3 | 46.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 474 | S | 29.9 | Very low | 31.6 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | trans | -133.9 | 99.6 | 163.4 | 57.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 475 | R | 27.1 | Very low | 31.9 | Very low | 257 Ų | 257 | 120.2 Ų | 120.2 | 97% | 0.97 | 73% | 0.729 | S | S | * | * | trans | -167.5 | 142 | 151.5 | -102 | 151.7 | -161.1 | -123.8 | 4.8 | 110.4 | ||||
| 476 | L | 29.7 | Very low | 32 | Very low | 154 Ų | 154 | 117.7 Ų | 117.7 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | trans | -77.8 | 178.2 | -175 | -69.1 | 161.4 | 0 | 0 | 0 | 111.6 | ||||
| 477 | P | 37.2 | Very low | 31.8 | Very low | 116 Ų | 116 | 119.9 Ų | 119.9 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | cis | -135.7 | -174.3 | 10.1 | 36.3 | -14.2 | 0 | 0 | 0 | 116.9 | ||||
| 478 | H | 32.6 | Very low | 31.8 | Very low | 181 Ų | 181 | 119.5 Ų | 119.5 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | trans | -51.7 | 149.8 | -176.5 | -53.1 | -82.4 | 0 | 0 | 0 | 117.9 | ||||
| 479 | A | 25.7 | Very low | 31.8 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -130.4 | 139.8 | 149 | 0 | 0 | 0 | 0 | 0 | 110 | S481 | A479-S481 PolarHBondContact O-N 2.85Š| ||
| 480 | S | 27.3 | Very low | 31.6 | Very low | 114 Ų | 114 | 118.4 Ų | 118.4 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | trans | -74.5 | 110.2 | -176.7 | 39.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 481 | S | 30.8 | Very low | 31.1 | Very low | 105 Ų | 105 | 117.9 Ų | 117.9 | 73% | 0.734 | 72% | 0.722 | S | S | * | * | trans | -74.3 | 126.6 | 176.6 | -174.7 | 0 | 0 | 0 | 0 | 111.9 | A479 | A479-S481 PolarHBondContact O-N 2.85Š| ||
| 482 | T | 32.5 | Very low | 31 | Very low | 103 Ų | 103 | 116.4 Ų | 116.4 | 63% | 0.632 | 72% | 0.717 | S | S | * | * | trans | -110.1 | 112.8 | 177.8 | 46.7 | 0 | 0 | 0 | 0 | 111.8 | K285 | K285-T482 PolarHBondContact NZ-O 3.31Š| ||
| 483 | G | 31.2 | Very low | 30.8 | Very low | 68 Ų | 68 | 122.7 Ų | 122.7 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | 66.9 | 78.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L485 | G483-L485 PolarHBondContact O-N 3.29Š| ||
| 484 | N | 33.8 | Very low | 30.7 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | trans | -73.1 | 110.8 | 165 | -94.6 | -8.7 | 0 | 0 | 0 | 110.6 | G486 | N484-G486 PolarHBondContact O-N 3.13Š| ||
| 485 | L | 37.2 | Very low | 30.5 | Very low | 56 Ų | 56 | 122.5 Ų | 122.5 | 29% | 0.293 | 73% | 0.729 | S | S | . | * | trans | -85.2 | 23 | 172.6 | -115.5 | 163.4 | 0 | 0 | 0 | 113 | T260 M263 G483 | T260-L485 HydrophobicContact CG2-CD1 3.93Å; M263-L485 HydrophobicContact CG-CD1 4.11Å; M263-L485 HydrophobicContact CG-CD2 3.92Å; G483-L485 PolarHBondContact O-N 3.29Å | ||
| 486 | G | 33.6 | Very low | 30.4 | Very low | 51 Ų | 51 | 115.4 Ų | 115.4 | 53% | 0.526 | 73% | 0.726 | S | S | . | * | trans | -87.2 | 5.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | N484 | N484-G486 PolarHBondContact O-N 3.13Š| ||
| 487 | L | 33.5 | Very low | 30.2 | Very low | 133 Ų | 133 | 113.7 Ų | 113.7 | 70% | 0.696 | 73% | 0.726 | S | S | * | * | trans | -138.9 | 60.2 | -169.7 | -98.3 | 163.2 | 0 | 0 | 0 | 112.7 | ||||
| 488 | L | 30.4 | Very low | 29.7 | Very low | 102 Ų | 102 | 116.1 Ų | 116.1 | 53% | 0.534 | 73% | 0.732 | S | S | . | * | trans | -140.4 | 69.8 | 164.5 | -75.4 | -179.9 | 0 | 0 | 0 | 110.2 | R298 | R298-L488 PolarHBondContact NH2-O 3.12Š| ||
| 489 | C | 32 | Very low | 29.3 | Very low | 107 Ų | 107 | 117 Ų | 117 | 72% | 0.723 | 74% | 0.737 | S | S | * | * | trans | -140.6 | 61.3 | 171.3 | -74.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 490 | R | 30.7 | Very low | 29.3 | Very low | 154 Ų | 154 | 117.7 Ų | 117.7 | 58% | 0.581 | 74% | 0.736 | S | S | * | * | trans | -166 | 97.2 | 157 | -135.2 | -173.9 | -176 | 174.7 | 4.1 | 113 | G426 E428 | G426-R490 VanDerWaalsContact O-CZ 3.23Å; G426-R490 PolarHBondContact O-NH1 2.98Å; G426-R490 PolarHBondContact O-NH2 3.48Å; E428-R490 IonicContact OE1-CZ 3.77Å; E428-R490 IonicContact OE1-NE 3.42Å; E428-R490 IonicContact OE1-NH2 2.7Å; E428-R490 PolarHBondContact OE1-NH2 3.1Å; E428-R490 IonicContact OE2-NH2 2.65Å | ||
| 491 | S | 27.1 | Very low | 29.2 | Very low | 122 Ų | 122 | 118.5 Ų | 118.5 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | 177.2 | 90.9 | 151.3 | 54.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 492 | G | 26.3 | Very low | 28.9 | Very low | 73 Ų | 73 | 118.8 Ų | 118.8 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | trans | -133 | 87.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | L494 | G492-L494 PolarHBondContact O-N 3.42Š| ||
| 493 | H | 28 | Very low | 28.5 | Very low | 200 Ų | 200 | 126 Ų | 126 | 93% | 0.926 | 76% | 0.759 | S | S | * | * | trans | -65.5 | 124.3 | 168.1 | -83.5 | -76.1 | 0 | 0 | 0 | 108.6 | ||||
| 494 | L | 28.4 | Very low | 28.2 | Very low | 171 Ų | 171 | 127 Ų | 127 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | trans | -119 | 129.8 | 157.7 | -82.3 | 167.8 | 0 | 0 | 0 | 107.8 | G492 | G492-L494 PolarHBondContact O-N 3.42Š| ||
| 495 | G | 24.9 | Very low | 27.7 | Very low | 77 Ų | 77 | 129.1 Ų | 129.1 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -71.2 | 150.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 496 | A | 25.4 | Very low | 27 | Very low | 108 Ų | 108 | 134.2 Ų | 134.2 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -73.1 | 138.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 497 | S | 24.8 | Very low | 27 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -126.8 | 115.9 | 153.4 | 57 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 498 | L | 27.3 | Very low | 27.3 | Very low | 168 Ų | 168 | 136 Ų | 136 | 88% | 0.88 | 81% | 0.807 | S | S | * | * | trans | -68.7 | 135.2 | 176.2 | -142.8 | 79.7 | 0 | 0 | 0 | 109.2 | ||||
| 499 | E | 23.8 | Very low | 27.3 | Very low | 200 Ų | 200 | 136.8 Ų | 136.8 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | trans | -158.5 | 143.1 | 140.6 | -120.3 | 171.2 | -145.8 | 0 | 0 | 111.6 | ||||
| 500 | S | 26 | Very low | 26.9 | Very low | 113 Ų | 113 | 142.1 Ų | 142.1 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -115.1 | 138.1 | -167.7 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 501 | S | 24.9 | Very low | 26.6 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | trans | -149.2 | 147.4 | 151 | -166 | 0 | 0 | 0 | 0 | 111 | ||||
| 502 | S | 25.7 | Very low | 26.7 | Very low | 111 Ų | 111 | 143.4 Ų | 143.4 | 78% | 0.776 | 84% | 0.839 | S | S | * | * | trans | -122.7 | 139.5 | -163 | 51.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 503 | R | 24.6 | Very low | 26.6 | Very low | 255 Ų | 255 | 149.2 Ų | 149.2 | 96% | 0.962 | 85% | 0.847 | S | S | * | * | trans | -160 | 137.3 | 147.6 | -129.7 | 170.1 | -178.9 | 158.7 | 0.8 | 112 | ||||
| 504 | A | 23 | Very low | 26.5 | Very low | 88 Ų | 88 | 143.2 Ų | 143.2 | 73% | 0.727 | 84% | 0.839 | S | S | * | * | trans | -106.9 | 160.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 505 | I | 25.1 | Very low | 26.3 | Very low | 174 Ų | 174 | 140 Ų | 140 | 89% | 0.892 | 83% | 0.831 | S | S | * | * | trans | -166.5 | 158.2 | 147.1 | -95.5 | 146.2 | 0 | 0 | 0 | 108.6 | ||||
| 506 | L | 21.6 | Very low | 26.6 | Very low | 163 Ų | 163 | 142.1 Ų | 142.1 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -102.4 | 176.9 | -158.2 | -87.9 | 161.9 | 0 | 0 | 0 | 114.3 | ||||
| 507 | P | 33.2 | Very low | 26.9 | Very low | 109 Ų | 109 | 141 Ų | 141 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | trans | -97.9 | -156.8 | -160 | 45.7 | -41 | 0 | 0 | 0 | 112 | ||||
| 508 | P | 39.3 | Very low | 27.3 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | cis | -127.9 | -145.7 | 1.6 | 49.3 | -29.7 | 0 | 0 | 0 | 111 | ||||
| 509 | P | 30.5 | Very low | 27.7 | Very low | 117 Ų | 117 | 140 Ų | 140 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -122.4 | -169.9 | 7.2 | 43 | -25.4 | 0 | 0 | 0 | 116 | ||||
| 510 | Y | 24.3 | Very low | 27.8 | Very low | 220 Ų | 220 | 134 Ų | 134 | 86% | 0.863 | 77% | 0.77 | S | S | * | * | trans | -88.8 | 160.6 | 171.4 | -72.2 | -93.1 | 0 | 0 | 0 | 112.4 | ||||
| 511 | P | 24.2 | Very low | 28 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 75% | 0.75 | S | S | * | * | -131.5 | 170.3 | 108.5 | 37.4 | -29.8 | 0 | 0 | 0 | 114.6 | |||||
| 512 | L | 30.5 | Very low | 28.2 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | trans | -76.2 | 123.4 | 178.8 | -72.9 | 140.5 | 0 | 0 | 0 | 111.6 | ||||
| 513 | E | 22.6 | Very low | 28.3 | Very low | 194 Ų | 194 | 135 Ų | 135 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | -149.7 | 153.8 | 161.9 | -119.6 | 170.1 | -165.2 | 0 | 0 | 111.3 | S515 | E513-S515 PolarHBondContact O-N 3.47Š| ||
| 514 | G | 27.3 | Very low | 28.5 | Very low | 75 Ų | 75 | 128.6 Ų | 128.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -62.8 | 113 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V516 | G514-V516 PolarHBondContact O-N 3.04Š| ||
| 515 | S | 23.7 | Very low | 28.8 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -80.6 | 92.2 | -174.5 | 47.2 | 0 | 0 | 0 | 0 | 113.1 | E513 V517 | E513-S515 PolarHBondContact O-N 3.47Å; S515-V517 PolarHBondContact O-N 3.17Å | ||
| 516 | V | 31.6 | Very low | 29 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -65.5 | 85.6 | 160.4 | -179.1 | 0 | 0 | 0 | 0 | 108.5 | G514 R518 | G514-V516 PolarHBondContact O-N 3.04Å; V516-R518 PolarHBondContact O-N 3.47Å | ||
| 517 | V | 32.1 | Very low | 29.5 | Very low | 86 Ų | 86 | 126.2 Ų | 126.2 | 52% | 0.521 | 77% | 0.765 | S | S | . | * | trans | -75 | 93.1 | -177 | -176 | 0 | 0 | 0 | 0 | 110.3 | S515 L519 | S515-V517 PolarHBondContact O-N 3.17Å; V517-L519 PolarHBondContact O-N 2.94Å; V517-L519 VanDerWaalsContact O-N 3.08Å | ||
| 518 | R | 32 | Very low | 29.3 | Very low | 231 Ų | 231 | 127.3 Ų | 127.3 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | trans | -45.3 | 115.7 | 162.7 | -80.8 | 179.3 | 170 | 170.5 | -2.6 | 109.6 | V516 G520 | V516-R518 PolarHBondContact O-N 3.47Å; R518-G520 PolarHBondContact O-N 3.31Å; R518-G520 VanDerWaalsContact O-N 3.11Å | ||
| 519 | L | 36 | Very low | 28.5 | Very low | 34 Ų | 34 | 128.3 Ų | 128.3 | 18% | 0.178 | 77% | 0.77 | C | S | . | * | trans | -64.6 | 109.6 | 159.6 | -66.3 | 174.8 | 0 | 0 | 0 | 106.7 | T369 I400 V517 F521 | T369-L519 HydrophobicContact CG2-CD1 3.95Å; I400-L519 HydrophobicContact CD1-CD2 3.88Å; I400-L519 HydrophobicContact CG2-CD2 4.05Å; V517-L519 PolarHBondContact O-N 2.94Å; V517-L519 VanDerWaalsContact O-N 3.08Å; L519-F521 HydrophobicContact CB-CD2 4.47Å; L519-F521 HydrophobicContact CB-CE2 3.66Å; L519-F521 HydrophobicContact CB-CZ 4.08Å; L519-F521 WeakPolarHBondContact O-CD2 3.46Å; L519-F521 VanDerWaalsContact O-CE2 3.26Å; L519-F521 WeakPolarHBondContact O-CE2 3.29Å; L519-F521 PolarHBondContact O-N 3.08Å | ||
| 520 | G | 25.6 | Very low | 28.4 | Very low | 72 Ų | 72 | 129.2 Ų | 129.2 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -66.2 | 129.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | R518 | R518-G520 PolarHBondContact O-N 3.31Å; R518-G520 VanDerWaalsContact O-N 3.11Å | ||
| 521 | F | 31.3 | Very low | 28.7 | Very low | 85 Ų | 85 | 121.6 Ų | 121.6 | 37% | 0.373 | 76% | 0.763 | S | S | . | * | trans | -122.2 | 108.1 | 171.7 | -65.9 | -86.9 | 0 | 0 | 0 | 107.6 | V366 K370 H397 L519 | V366-F521 HydrophobicContact CB-CE1 4.3Å; V366-F521 HydrophobicContact CB-CZ 4.04Å; V366-F521 HydrophobicContact CG1-CD1 4.39Å; V366-F521 HydrophobicContact CG1-CD2 4.34Å; V366-F521 HydrophobicContact CG1-CE1 3.73Å; V366-F521 HydrophobicContact CG1-CE2 3.68Å; V366-F521 HydrophobicContact CG1-CZ 3.34Å; V366-F521 HydrophobicContact CG2-CE1 3.54Å; V366-F521 HydrophobicContact CG2-CZ 3.61Å; K370-F521 VanDerWaalsContact CE-CE2 3.4Å; K370-F521 VanDerWaalsContact NZ-CD2 3.3Å; H397-F521 AromaticContact CE1-CE1 3.61Å; H397-F521 AromaticContact CE1-CZ 3.88Å; H397-F521 AromaticContact NE2-CE1 3.41Å; H397-F521 WeakPolarHBondContact NE2-CE1 3.26Å; H397-F521 AromaticContact NE2-CZ 3.99Å; L519-F521 HydrophobicContact CB-CD2 4.47Å; L519-F521 HydrophobicContact CB-CE2 3.66Å; L519-F521 HydrophobicContact CB-CZ 4.08Å; L519-F521 WeakPolarHBondContact O-CD2 3.46Å; L519-F521 VanDerWaalsContact O-CE2 3.26Å; L519-F521 WeakPolarHBondContact O-CE2 3.29Å; L519-F521 PolarHBondContact O-N 3.08Å | ||
| 522 | G | 28.2 | Very low | 29.2 | Very low | 155 Ų | 155 | 121.3 Ų | 121.3 | 100% | 1.598 | 76% | 0.759 | S | S | * | * | trans | -96.5 | 0 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 522 of 522 residues in 426.6 ms
(Link to these results)