| 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 | 38.7 | Very low | 39.7 | Very low | 238 Ų | 238 | 163.9 Ų | 163.9 | 100% | 1.172 | 85% | 0.849 | S | S | * | * | 0 | 132.6 | 0 | -73.4 | 155.7 | 79 | 0 | 0 | 107.3 | |||||
| 2 | N | 34.3 | Very low | 39.3 | Very low | 158 Ų | 158 | 158.9 Ų | 158.9 | 85% | 0.845 | 84% | 0.839 | S | S | * | * | trans | -95.2 | 130 | -169.5 | -57.9 | -23.5 | 0 | 0 | 0 | 111.1 | ||||
| 3 | I | 36.3 | Very low | 39 | Very low | 156 Ų | 156 | 154.6 Ų | 154.6 | 80% | 0.8 | 83% | 0.83 | S | S | * | * | trans | -170.1 | 118.1 | 167.6 | -85.7 | 128.6 | 0 | 0 | 0 | 102.7 | ||||
| 4 | L | 43.6 | Very low | 39.2 | Very low | 166 Ų | 166 | 153 Ų | 153 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | cis | -132.9 | 142 | 13.4 | -67.7 | 162.6 | 0 | 0 | 0 | 111.3 | ||||
| 5 | C | 40.2 | Very low | 38.9 | Very low | 128 Ų | 128 | 150 Ų | 150 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | trans | -141.3 | 108.1 | 161.2 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 6 | K | 38.8 | Very low | 38.8 | Very low | 201 Ų | 201 | 156 Ų | 156 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | 177.6 | 128.6 | 174.4 | -95.1 | 155.6 | -173.1 | -174.9 | 0 | 103.1 | ||||
| 7 | S | 37.7 | Very low | 38.7 | Very low | 122 Ų | 122 | 157.7 Ų | 157.7 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | cis | -147.1 | 159.6 | 40 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 8 | R | 48.2 | Very low | 38.4 | Very low | 228 Ų | 228 | 156 Ų | 156 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -132 | 157.4 | 168.8 | -118.8 | -177.6 | 176.5 | -168.7 | -1.5 | 107.4 | ||||
| 9 | I | 40.1 | Very low | 38.2 | Very low | 147 Ų | 147 | 153.1 Ų | 153.1 | 75% | 0.754 | 82% | 0.824 | S | S | * | * | trans | 74.8 | 130.3 | 156.7 | -72.5 | 163.2 | 0 | 0 | 0 | 113.8 | ||||
| 10 | L | 42.6 | Very low | 38.2 | Very low | 144 Ų | 144 | 153.6 Ų | 153.6 | 75% | 0.754 | 83% | 0.825 | S | S | * | * | cis | -167.1 | 168.2 | 11.2 | -124 | -177.3 | 0 | 0 | 0 | 115.1 | ||||
| 11 | V | 36.2 | Very low | 38.1 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 70% | 0.697 | 82% | 0.817 | S | S | * | * | trans | 50 | 127.9 | 159.7 | -103.9 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 12 | S | 35.1 | Very low | 37.7 | Very low | 104 Ų | 104 | 148.5 Ų | 148.5 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | -161.9 | 130.1 | 95.4 | 50.7 | 0 | 0 | 0 | 0 | 108 | |||||
| 13 | S | 35.9 | Very low | 38 | Very low | 103 Ų | 103 | 148.2 Ų | 148.2 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | 68.5 | 78.6 | 54.8 | 81 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 14 | V | 41.4 | Very low | 38.1 | Very low | 132 Ų | 132 | 148.5 Ų | 148.5 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -124 | 108 | 159.4 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 15 | C | 33.9 | Very low | 37.5 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | trans | -72.8 | 142.9 | 164.6 | -83.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 16 | R | 37.3 | Very low | 37.5 | Very low | 246 Ų | 246 | 146.1 Ų | 146.1 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | trans | -125.7 | 112.3 | 138.4 | -68.7 | -166.7 | -167.4 | -155 | 5.6 | 108.9 | ||||
| 17 | K | 38.2 | Very low | 37.8 | Very low | 185 Ų | 185 | 142.4 Ų | 142.4 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -90.2 | 142.3 | 164.2 | -70 | 179.3 | 176 | 179.6 | 0 | 108.3 | ||||
| 18 | S | 32.7 | Very low | 37.5 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -155.5 | 96.2 | 144.4 | 57.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 19 | S | 34.8 | Very low | 36.7 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -126.1 | 108.1 | 172.7 | 57.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 20 | L | 38.8 | Very low | 36.4 | Very low | 163 Ų | 163 | 133.4 Ų | 133.4 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -172.1 | 147.6 | 163.5 | -72.9 | -169.1 | 0 | 0 | 0 | 104.2 | ||||
| 21 | L | 35.1 | Very low | 36 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | cis | -161.4 | 145.3 | -11.2 | -122.9 | 165.5 | 0 | 0 | 0 | 104.4 | ||||
| 22 | D | 30.6 | Very low | 36.1 | Very low | 159 Ų | 159 | 133 Ų | 133 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | -169.3 | 155.8 | 121.8 | -114.6 | -25.8 | 0 | 0 | 0 | 113.3 | |||||
| 23 | Q | 40 | Very low | 36.2 | Very low | 152 Ų | 152 | 134.4 Ų | 134.4 | 71% | 0.71 | 78% | 0.782 | S | S | * | * | trans | -133.8 | 142.5 | -177.1 | -98 | -170.6 | 31.3 | 0 | 0 | 110.9 | ||||
| 24 | L | 38.6 | Very low | 35.7 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | 66.1 | 112.2 | 157.2 | -57.6 | 167.1 | 0 | 0 | 0 | 118.9 | ||||
| 25 | A | 30.7 | Very low | 35.4 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | -165 | 137.5 | 128.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 26 | V | 40.3 | Very low | 35.3 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 87% | 0.873 | 78% | 0.783 | S | S | * | * | trans | -116.5 | 123.9 | 164 | 170.5 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 27 | P | 46.1 | Very low | 35.1 | Very low | 123 Ų | 123 | 139.4 Ų | 139.4 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | -138.9 | 176.2 | 92.6 | 21.7 | 1.5 | 0 | 0 | 0 | 111.7 | |||||
| 28 | G | 31.9 | Very low | 34.7 | Very low | 68 Ų | 68 | 135.4 Ų | 135.4 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | 129.7 | 123.5 | 8.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 29 | C | 31.2 | Very low | 34.5 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | 83.8 | 143.5 | 167.7 | -96.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 30 | T | 33.6 | Very low | 34.3 | Very low | 116 Ų | 116 | 138 Ų | 138 | 71% | 0.712 | 78% | 0.775 | S | S | * | * | trans | 57.4 | 101.3 | 155.3 | 53 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 31 | S | 33 | Very low | 34 | Very low | 101 Ų | 101 | 138.6 Ų | 138.6 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 80.5 | 127.1 | 64.6 | 73 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 32 | L | 39.2 | Very low | 34 | Very low | 148 Ų | 148 | 136.7 Ų | 136.7 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | 162.4 | 116.3 | 142 | -85.6 | 166.3 | 0 | 0 | 0 | 107.4 | ||||
| 33 | I | 36.4 | Very low | 34.2 | Very low | 134 Ų | 134 | 135.2 Ų | 135.2 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | 61 | 122.8 | 102.5 | -67.8 | -172.8 | 0 | 0 | 0 | 111.8 | |||||
| 34 | F | 26.7 | Very low | 33.9 | Very low | 175 Ų | 175 | 135 Ų | 135 | 77% | 0.768 | 78% | 0.781 | S | S | * | * | cis | -153 | -172.2 | 13.6 | -126.3 | -179.8 | 0 | 0 | 0 | 108 | ||||
| 35 | K | 33.8 | Very low | 33.6 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 81% | 0.809 | 79% | 0.786 | S | S | * | * | cis | -150.4 | -168.5 | 11.1 | -148.3 | 162.8 | -177 | 176.8 | 0 | 110.1 | ||||
| 36 | A | 32.5 | Very low | 33.9 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | -94.7 | 161.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 37 | R | 32.3 | Very low | 33.6 | Very low | 247 Ų | 247 | 134.9 Ų | 134.9 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | -151.6 | 122 | 124.5 | -152.1 | 170.4 | -169.1 | 168.6 | 2.3 | 111.9 | |||||
| 38 | C | 30.9 | Very low | 32.9 | Very low | 102 Ų | 102 | 135 Ų | 135 | 69% | 0.689 | 78% | 0.781 | S | S | * | * | trans | -87.2 | 157.7 | 169.3 | -55.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 39 | H | 29.1 | Very low | 33.3 | Very low | 187 Ų | 187 | 139.5 Ų | 139.5 | 87% | 0.866 | 78% | 0.784 | S | S | * | * | -158.3 | 119.5 | 113.1 | -107.9 | -77.1 | 0 | 0 | 0 | 109.9 | |||||
| 40 | S | 30.2 | Very low | 33.4 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | trans | -92 | 140.8 | 164 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 41 | L | 32.2 | Very low | 33.2 | Very low | 175 Ų | 175 | 146.3 Ų | 146.3 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | -123.4 | 122.6 | 150.8 | -80.2 | 172.8 | 0 | 0 | 0 | 106.8 | ||||
| 42 | A | 35.6 | Very low | 33 | Very low | 85 Ų | 85 | 153.3 Ų | 153.3 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | trans | -129.1 | 126.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 43 | V | 33.8 | Very low | 32.7 | Very low | 128 Ų | 128 | 156.6 Ų | 156.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -144.2 | 111.7 | 162.3 | -168 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 44 | N | 33.5 | Very low | 32.5 | Very low | 148 Ų | 148 | 161.6 Ų | 161.6 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | 42.6 | 124 | 151.2 | -55.7 | -27.1 | 0 | 0 | 0 | 121.7 | ||||
| 45 | L | 33 | Very low | 32.7 | Very low | 181 Ų | 181 | 156.7 Ų | 156.7 | 95% | 0.948 | 81% | 0.81 | S | S | * | * | -139.1 | 146.4 | 122.9 | -143.9 | 74.1 | 0 | 0 | 0 | 110.7 | |||||
| 46 | S | 35.8 | Very low | 32.8 | Very low | 110 Ų | 110 | 152.8 Ų | 152.8 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -95.2 | 137.4 | -163.6 | 50.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 47 | S | 35.9 | Very low | 33.2 | Very low | 113 Ų | 113 | 155 Ų | 155 | 79% | 0.79 | 82% | 0.822 | S | S | * | * | trans | 8.2 | 123 | 149 | 179.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 48 | C | 31.4 | Very low | 33.6 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | -158 | 144.1 | 113.6 | -148.9 | 0 | 0 | 0 | 0 | 113 | |||||
| 49 | Q | 39.6 | Very low | 34 | Very low | 162 Ų | 162 | 155.7 Ų | 155.7 | 76% | 0.757 | 83% | 0.825 | S | S | * | * | trans | -78.4 | 167 | 166.2 | -57.9 | 168.5 | -14.4 | 0 | 0 | 108.4 | ||||
| 50 | Q | 33 | Very low | 34 | Very low | 166 Ų | 166 | 151 Ų | 151 | 78% | 0.776 | 81% | 0.813 | S | S | * | * | cis | -161.1 | 138.3 | 46.1 | -69.4 | -176.5 | 14.6 | 0 | 0 | 109.2 | ||||
| 51 | R | 29.5 | Very low | 34 | Very low | 217 Ų | 217 | 154.9 Ų | 154.9 | 82% | 0.819 | 82% | 0.82 | S | S | * | * | 58.1 | 102.9 | 94.5 | -159.2 | 168.5 | -167.8 | 158.6 | 4.3 | 116.5 | |||||
| 52 | W | 28.4 | Very low | 34.2 | Very low | 248 Ų | 248 | 150.6 Ų | 150.6 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | trans | -74.6 | 144.9 | 172.8 | -63.9 | 85.5 | 0 | 0 | 0 | 113.3 | ||||
| 53 | R | 32.2 | Very low | 33.9 | Very low | 218 Ų | 218 | 155 Ų | 155 | 82% | 0.823 | 81% | 0.811 | S | S | * | * | trans | -141.7 | 159.5 | 163.5 | -86.3 | -162.9 | 170.4 | -163.1 | -1.4 | 111.9 | ||||
| 54 | Y | 32.4 | Very low | 34 | Very low | 238 Ų | 238 | 154.1 Ų | 154.1 | 93% | 0.933 | 81% | 0.81 | S | S | * | * | trans | -80.6 | 161.6 | -161.6 | -61.2 | -100.3 | 0 | 0 | 0 | 116.4 | ||||
| 55 | G | 31.1 | Very low | 34 | Very low | 73 Ų | 73 | 156.3 Ų | 156.3 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | 155.8 | 83 | 163.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 56 | A | 37 | Very low | 33.9 | Very low | 103 Ų | 103 | 159 Ų | 159 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | 79.5 | 109.3 | 82.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 57 | C | 39.5 | Very low | 33.7 | Very low | 134 Ų | 134 | 160 Ų | 160 | 91% | 0.905 | 82% | 0.816 | S | S | * | * | trans | -96.6 | 151.8 | 173.3 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 58 | P | 42.2 | Very low | 33.4 | Very low | 123 Ų | 123 | 165.2 Ų | 165.2 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | trans | -119.8 | 129.3 | 151.2 | 25.7 | -8.7 | 0 | 0 | 0 | 113.5 | ||||
| 59 | R | 39.3 | Very low | 33.7 | Very low | 239 Ų | 239 | 165.1 Ų | 165.1 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -0.2 | 156.3 | 140.6 | -79.4 | -175.8 | -177.5 | -145.7 | 1.5 | 119.7 | ||||
| 60 | C | 29.3 | Very low | 33.2 | Very low | 90 Ų | 90 | 163.2 Ų | 163.2 | 61% | 0.608 | 81% | 0.811 | S | S | * | * | cis | 176 | 142.1 | -24.8 | 53.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 61 | H | 29.8 | Very low | 33.1 | Very low | 176 Ų | 176 | 166.2 Ų | 166.2 | 82% | 0.815 | 82% | 0.815 | S | S | * | * | trans | -175.5 | 162.6 | 131.5 | -118.5 | -89.7 | 0 | 0 | 0 | 114.2 | ||||
| 62 | S | 34.9 | Very low | 33.1 | Very low | 85 Ų | 85 | 159.6 Ų | 159.6 | 59% | 0.594 | 81% | 0.814 | S | S | * | * | trans | -56.7 | 149 | 176.1 | 51.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 63 | E | 31.1 | Very low | 33.2 | Very low | 178 Ų | 178 | 157.8 Ų | 157.8 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | -169.1 | 151.5 | 100.1 | -104.8 | -170.1 | 115.2 | 0 | 0 | 114.1 | |||||
| 64 | S | 35 | Very low | 33.1 | Very low | 110 Ų | 110 | 151.2 Ų | 151.2 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -77.5 | 144.9 | 172 | -72.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 65 | K | 32.7 | Very low | 33 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 84% | 0.839 | 81% | 0.813 | S | S | * | * | trans | -155.7 | 133.3 | 139.7 | -109.1 | 149.1 | -164.6 | 170.8 | 0 | 112.6 | ||||
| 66 | R | 32.6 | Very low | 32.9 | Very low | 239 Ų | 239 | 154.3 Ų | 154.3 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -67.5 | 142.8 | 166.3 | -66.9 | 167.9 | 168.7 | 160.8 | -6.5 | 108.7 | ||||
| 67 | C | 29.9 | Very low | 32.4 | Very low | 131 Ų | 131 | 154.5 Ų | 154.5 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -114.3 | 116.3 | 159.5 | -68.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 68 | Y | 29.9 | Very low | 31.9 | Very low | 222 Ų | 222 | 156.8 Ų | 156.8 | 87% | 0.871 | 80% | 0.802 | S | S | * | * | trans | -82.2 | 150.3 | 170.4 | -134.3 | -99.7 | 0 | 0 | 0 | 108.4 | ||||
| 69 | T | 37.6 | Very low | 31.4 | Very low | 122 Ų | 122 | 162.4 Ų | 162.4 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -75.3 | 142.2 | 167 | 50 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 70 | D | 29.9 | Very low | 31.4 | Very low | 123 Ų | 123 | 156.3 Ų | 156.3 | 66% | 0.658 | 80% | 0.799 | S | S | * | * | 176.8 | 155.4 | 111.3 | -161 | 21.5 | 0 | 0 | 0 | 112.8 | |||||
| 71 | R | 31.2 | Very low | 31.6 | Very low | 228 Ų | 228 | 161.4 Ų | 161.4 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | 37.6 | 129.4 | 157 | -81.8 | 165.4 | -142.8 | -122.7 | -4 | 123.1 | ||||
| 72 | G | 29.3 | Very low | 31.4 | Very low | 79 Ų | 79 | 160.3 Ų | 160.3 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | -167.4 | 127 | 149.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 73 | E | 30.2 | Very low | 31 | Very low | 210 Ų | 210 | 163.5 Ų | 163.5 | 98% | 0.981 | 82% | 0.816 | S | S | * | * | trans | -80.5 | 155.2 | -171.4 | -58.7 | 176.8 | 112.7 | 0 | 0 | 114.1 | ||||
| 74 | G | 30.1 | Very low | 31 | Very low | 80 Ų | 80 | 161 Ų | 161 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -163.6 | 45.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 75 | R | 30.6 | Very low | 31 | Very low | 226 Ų | 226 | 165.7 Ų | 165.7 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | trans | -11 | 128.1 | 162.4 | -178.4 | -179.5 | -73.4 | -108.9 | -3 | 120.5 | ||||
| 76 | L | 28.7 | Very low | 31 | Very low | 150 Ų | 150 | 164.7 Ų | 164.7 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 52.4 | 140.9 | 154.9 | -84.5 | 82.6 | 0 | 0 | 0 | 118.6 | ||||
| 77 | T | 26.7 | Very low | 30.9 | Very low | 106 Ų | 106 | 158.6 Ų | 158.6 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | -159 | 156.1 | 54.3 | 36 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 78 | E | 29.8 | Very low | 31.3 | Very low | 183 Ų | 183 | 161.5 Ų | 161.5 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | 69.6 | 111.4 | 143.5 | -71.7 | 158.5 | -148.5 | 0 | 0 | 123.7 | ||||
| 79 | R | 30 | Very low | 31.7 | Very low | 240 Ų | 240 | 159.2 Ų | 159.2 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | -76 | 171.6 | 141.3 | -110.1 | -176.7 | 169.2 | 178.5 | -4.1 | 109 | ||||
| 80 | P | 39.9 | Very low | 31.8 | Very low | 112 Ų | 112 | 163 Ų | 163 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | cis | -128.2 | 178.8 | 13.9 | 41.6 | -23.3 | 0 | 0 | 0 | 113.2 | ||||
| 81 | E | 32.9 | Very low | 32.4 | Very low | 197 Ų | 197 | 165.4 Ų | 165.4 | 92% | 0.921 | 81% | 0.809 | S | S | * | * | -151.7 | 170 | 88.6 | -110.8 | -177.8 | 173.3 | 0 | 0 | 114.1 | |||||
| 82 | K | 26.4 | Very low | 32.7 | Very low | 152 Ų | 152 | 162.5 Ų | 162.5 | 66% | 0.661 | 81% | 0.811 | S | S | * | * | trans | -113.2 | 132.9 | -161.4 | -165.4 | -168.7 | -154.8 | -135 | 0 | 110 | E84 | K82-E84 WeakPolarHBondContact CE-OE1 3.32Å; K82-E84 WeakPolarHBondContact CE-OE2 2.95Å; K82-E84 HydrophobicContact CG-CG 4.37Å; K82-E84 IonicContact NZ-OE1 3.74Å; K82-E84 PolarHBondContact NZ-OE1 2.62Å; K82-E84 IonicContact NZ-OE2 2.69Å; K82-E84 PolarHBondContact NZ-OE2 2.7Å | ||
| 83 | L | 27.4 | Very low | 33.6 | Very low | 152 Ų | 152 | 164.2 Ų | 164.2 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | trans | -144.9 | 105.6 | 162.3 | -134.3 | 154.2 | 0 | 0 | 0 | 108.8 | Y85 | L83-Y85 HydrophobicContact CD2-CD1 4.05Å; L83-Y85 HydrophobicContact CD2-CE1 4.1Å | ||
| 84 | E | 30.2 | Very low | 34 | Very low | 126 Ų | 126 | 163.9 Ų | 163.9 | 59% | 0.589 | 79% | 0.791 | S | S | * | * | trans | -95.9 | 143.6 | 178.3 | -71.2 | 157.5 | 157.6 | 0 | 0 | 109.5 | K82 | K82-E84 WeakPolarHBondContact CE-OE1 3.32Å; K82-E84 WeakPolarHBondContact CE-OE2 2.95Å; K82-E84 HydrophobicContact CG-CG 4.37Å; K82-E84 IonicContact NZ-OE1 3.74Å; K82-E84 PolarHBondContact NZ-OE1 2.62Å; K82-E84 IonicContact NZ-OE2 2.69Å; K82-E84 PolarHBondContact NZ-OE2 2.7Å | ||
| 85 | Y | 35.1 | Very low | 34.6 | Very low | 209 Ų | 209 | 170.3 Ų | 170.3 | 82% | 0.82 | 79% | 0.79 | S | S | * | * | trans | -147.5 | 100.8 | 152.3 | 33.2 | -93.4 | 0 | 0 | 0 | 108.6 | L83 | L83-Y85 HydrophobicContact CD2-CD1 4.05Å; L83-Y85 HydrophobicContact CD2-CE1 4.1Å | ||
| 86 | E | 33.6 | Very low | 35.2 | Very low | 171 Ų | 171 | 166.5 Ų | 166.5 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -72.7 | 159.8 | 151.1 | -52.4 | 172.7 | 162.3 | 0 | 0 | 106.8 | ||||
| 87 | T | 29.3 | Very low | 36 | Very low | 112 Ų | 112 | 164.3 Ų | 164.3 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | cis | -143.7 | 178.3 | 5 | -21 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 88 | E | 37.7 | Very low | 37 | Very low | 192 Ų | 192 | 164.8 Ų | 164.8 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | -160.9 | 156.4 | 68.3 | -81.3 | 175.6 | 173 | 0 | 0 | 110.4 | |||||
| 89 | E | 38.2 | Very low | 37.9 | Very low | 174 Ų | 174 | 161.6 Ų | 161.6 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -94.9 | 136.7 | -175.8 | -57 | 169.1 | 145.1 | 0 | 0 | 110.4 | ||||
| 90 | E | 41.2 | Very low | 39.1 | Very low | 200 Ų | 200 | 155.9 Ų | 155.9 | 94% | 0.935 | 76% | 0.764 | S | S | * | * | trans | -124.5 | 103.3 | 150.4 | -77.5 | -164.4 | 153.7 | 0 | 0 | 108.9 | ||||
| 91 | E | 42.7 | Very low | 39.4 | Very low | 175 Ų | 175 | 158.4 Ų | 158.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -71 | 123.7 | 159.4 | -64.7 | -169.6 | 121 | 0 | 0 | 108.9 | ||||
| 92 | D | 36.4 | Very low | 40.3 | Very low | 167 Ų | 167 | 156 Ų | 156 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | trans | -127 | 112.3 | 146.8 | -158.9 | -4.2 | 0 | 0 | 0 | 110.2 | ||||
| 93 | N | 48.8 | Very low | 41 | Very low | 115 Ų | 115 | 151.8 Ų | 151.8 | 62% | 0.615 | 76% | 0.76 | S | S | * | * | trans | -132.4 | 94.4 | -166.4 | 178.4 | 1 | 0 | 0 | 0 | 108.5 | ||||
| 94 | R | 39.5 | Very low | 42 | Very low | 202 Ų | 202 | 154.3 Ų | 154.3 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -176.6 | 129.9 | 143.2 | -98.2 | 140.8 | -160.4 | -173.2 | 4.6 | 115.3 | ||||
| 95 | R | 42 | Very low | 43.3 | Very low | 216 Ų | 216 | 151.1 Ų | 151.1 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | trans | 70.6 | 95.9 | 146.5 | -57 | 163.1 | -174.9 | 166.6 | 0.2 | 118 | ||||
| 96 | N | 43.1 | Very low | 45 | Very low | 146 Ų | 146 | 147.5 Ų | 147.5 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | -140.3 | 91.5 | 90.2 | -163.7 | 4.7 | 0 | 0 | 0 | 111.3 | N98 | N96-N98 PolarHBondContact O-N 2.89Š| |||
| 97 | S | 45.9 | Very low | 47.4 | Very low | 104 Ų | 104 | 142.9 Ų | 142.9 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | trans | -72.9 | 77.3 | 171.3 | 53.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 98 | N | 47.7 | Very low | 50.2 | Low | 115 Ų | 115 | 138.9 Ų | 138.9 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | trans | -124.3 | 50.3 | 159.9 | -129.9 | 3.7 | 0 | 0 | 0 | 109.5 | N96 Q100 | N96-N98 PolarHBondContact O-N 2.89Å; N98-Q100 PolarHBondContact O-N 2.87Å | ||
| 99 | S | 48.6 | Very low | 52.9 | Low | 117 Ų | 117 | 131.9 Ų | 131.9 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | trans | -61.4 | 77.3 | 154.6 | -57.8 | 0 | 0 | 0 | 0 | 108 | N101 | S99-N101 PolarHBondContact O-N 2.77Š| ||
| 100 | Q | 55.1 | Low | 55.6 | Low | 119 Ų | 119 | 125.3 Ų | 125.3 | 56% | 0.556 | 64% | 0.644 | S | S | * | * | trans | -64.5 | 99.8 | 163 | -66.5 | -163.1 | -10.2 | 0 | 0 | 106.1 | N98 Q102 | N98-Q100 PolarHBondContact O-N 2.87Å; Q100-Q102 HydrophobicContact CB-CG 3.77Å; Q100-Q102 PolarHBondContact O-N 2.75Å | ||
| 101 | N | 45.5 | Very low | 58.1 | Low | 166 Ų | 166 | 121.3 Ų | 121.3 | 89% | 0.888 | 63% | 0.629 | S | S | * | * | trans | -54.2 | 77.2 | 138.4 | -85.5 | -35.6 | 0 | 0 | 0 | 106.9 | S99 G103 | S99-N101 PolarHBondContact O-N 2.77Å; N101-G103 PolarHBondContact O-N 3.08Å | ||
| 102 | Q | 51.8 | Low | 60.5 | Low | 146 Ų | 146 | 115.1 Ų | 115.1 | 68% | 0.682 | 60% | 0.603 | S | S | * | * | trans | -66.2 | 88.4 | 155.8 | -67.3 | -169.9 | -9 | 0 | 0 | 104.1 | Q100 F104 | Q100-Q102 HydrophobicContact CB-CG 3.77Å; Q100-Q102 PolarHBondContact O-N 2.75Å; Q102-F104 PolarHBondContact O-N 2.86Å; Q102-F104 VanDerWaalsContact O-N 3.08Å | ||
| 103 | G | 41.4 | Very low | 63.3 | Low | 64 Ų | 64 | 107.1 Ų | 107.1 | 66% | 0.66 | 56% | 0.561 | S | S | * | * | trans | -50.8 | 121.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | N101 S105 | N101-G103 PolarHBondContact O-N 3.08Å; G103-S105 PolarHBondContact O-N 3.12Å | ||
| 104 | F | 48.9 | Very low | 65.6 | Low | 204 Ų | 204 | 102.9 Ų | 102.9 | 90% | 0.895 | 54% | 0.539 | S | S | * | . | trans | -54.7 | 102.1 | -176 | -126.3 | -93 | 0 | 0 | 0 | 107.6 | Q102 E106 | Q102-F104 PolarHBondContact O-N 2.86Å; Q102-F104 VanDerWaalsContact O-N 3.08Å; F104-E106 PolarHBondContact O-N 2.79Å; F104-E106 VanDerWaalsContact O-N 3.12Å | ||
| 105 | S | 57.2 | Low | 68.3 | Low | 59 Ų | 59 | 96.8 Ų | 96.8 | 41% | 0.413 | 53% | 0.527 | S | S | . | . | trans | -69.4 | 118.4 | -176.1 | 57.2 | 0 | 0 | 0 | 0 | 107.4 | G103 V107 | G103-S105 PolarHBondContact O-N 3.12Å; S105-V107 PolarHBondContact O-N 2.7Å | ||
| 106 | E | 70.7 | Confident | 70.9 | Confident | 134 Ų | 134 | 86.9 Ų | 86.9 | 63% | 0.626 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -67.3 | 37.6 | 170.3 | -54.7 | 175.8 | 149.6 | 0 | 0 | 112 | F104 K167 | F104-E106 PolarHBondContact O-N 2.79Å; F104-E106 VanDerWaalsContact O-N 3.12Å; E106-K167 WeakPolarHBondContact O-CE 3.42Å; E106-K167 WeakPolarHBondContact OE2-CE 3.47Å; E106-K167 IonicContact OE2-NZ 2.62Å; E106-K167 PolarHBondContact OE2-NZ 3.26Å |
| 107 | V | 83.9 | Confident | 73.4 | Confident | 73 Ų | 73 | 79.9 Ų | 79.9 | 44% | 0.442 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -135.3 | 131.6 | -171.2 | -175.2 | 0 | 0 | 0 | 0 | 106.5 | S105 T109 M165 | S105-V107 PolarHBondContact O-N 2.7Å; V107-T109 HydrophobicContact CG1-CG2 4.49Å; V107-T109 PolarHBondContact O-N 2.88Å; V107-M165 WeakPolarHBondContact O-CE 3.38Å |
| 108 | F | 89.1 | Confident | 75.8 | Confident | 29 Ų | 29 | 83.2 Ų | 83.2 | 13% | 0.127 | 45% | 0.45 | C | S | . | . | trans | -75.4 | 110 | 176.9 | -169.2 | -104.6 | 0 | 0 | 0 | 109.4 | V112 L113 V161 F162 M165 F188 | F108-V112 HydrophobicContact CD2-CG1 4.46Å; F108-L113 HydrophobicContact CE1-CB 4.21Å; F108-L113 HydrophobicContact CE1-CD2 4.08Å; F108-L113 HydrophobicContact CZ-CB 4.03Å; F108-L113 HydrophobicContact CZ-CD1 4.06Å; F108-L113 HydrophobicContact CZ-CD2 4.37Å; F108-L113 HydrophobicContact CZ-CG 4.38Å; F108-V161 HydrophobicContact CE2-CG1 4.46Å; F108-F162 HydrophobicContact CB-CD2 3.94Å; F108-F162 HydrophobicContact CB-CE2 4.27Å; F108-F162 AromaticContact CD1-CD2 3.66Å; F108-F162 HydrophobicContact CD1-CD2 3.66Å; F108-F162 HydrophobicContact CD1-CE2 4.21Å; F108-F162 HydrophobicContact CD2-CB 4.23Å; F108-F162 AromaticContact CD2-CD2 4Å; F108-F162 HydrophobicContact CD2-CD2 4Å; F108-F162 HydrophobicContact CE1-CD2 4.01Å; F108-F162 HydrophobicContact CE2-CB 3.97Å; F108-F162 HydrophobicContact CE2-CD2 4.33Å; F108-F162 AromaticContact CG-CD2 3.62Å; F108-F162 HydrophobicContact CG-CD2 3.62Å; F108-F162 HydrophobicContact CG-CE2 4.31Å; F108-F162 HydrophobicContact CZ-CB 4.18Å; F108-F162 HydrophobicContact CZ-CD2 4.32Å; F108-M165 HydrophobicContact CD2-SD 4.21Å; F108-F188 HydrophobicContact CE1-CB 4.3Å; F108-F188 AromaticContact CE1-CD1 3.95Å; F108-F188 HydrophobicContact CE1-CD1 3.95Å; F108-F188 HydrophobicContact CE1-CD2 4.14Å; F108-F188 HydrophobicContact CE1-CE1 4.26Å; F108-F188 HydrophobicContact CE1-CE2 4.44Å; F108-F188 AromaticContact CE1-CG 3.87Å; F108-F188 HydrophobicContact CE1-CG 3.87Å; F108-F188 HydrophobicContact CE1-CZ 4.48Å; F108-F188 HydrophobicContact CZ-CD1 4.3Å; F108-F188 HydrophobicContact CZ-CE1 4.16Å; F108-F188 HydrophobicContact CZ-CZ 4.3Å | ||
| 109 | T | 92.9 | Very high | 78.1 | Confident | 44 Ų | 44 | 83.7 Ų | 83.7 | 27% | 0.27 | 45% | 0.448 | S | S | . | . | trans | -111.4 | 164.9 | -177.3 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | V107 D111 V112 L113 | V107-T109 HydrophobicContact CG1-CG2 4.49Å; V107-T109 PolarHBondContact O-N 2.88Å; T109-D111 VanDerWaalsContact C-N 3.25Å; T109-D111 PolarHBondContact O-N 2.76Å; T109-V112 PolarHBondContact O-N 2.83Å; T109-V112 WeakPolarHBondContact OG1-CG2 3.26Å; T109-L113 PolarHBondContact O-N 2.64Å; T109-L113 VanDerWaalsContact O-N 3.12Å | ||
| 110 | L | 94.5 | Very high | 80.4 | Confident | 37 Ų | 37 | 80.8 Ų | 80.8 | 19% | 0.194 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -54.7 | -39.9 | 175.1 | 171.6 | 60.5 | 0 | 0 | 0 | 112.6 | L113 T114 V127 Y139 I141 M191 | L110-L113 PolarHBondContact O-N 3.26Å; L110-T114 WeakPolarHBondContact O-CB 3.32Å; L110-T114 PolarHBondContact O-N 3.31Å; L110-T114 PolarHBondContact O-OG1 2.9Å; L110-V127 HydrophobicContact CD1-CG1 3.8Å; L110-V127 HydrophobicContact CD1-CG2 4.31Å; L110-V127 HydrophobicContact CD2-CG1 4.17Å; L110-Y139 HydrophobicContact CD2-CD1 4.07Å; L110-Y139 HydrophobicContact CD2-CE1 3.89Å; L110-I141 HydrophobicContact CD1-CD1 3.86Å; L110-M191 HydrophobicContact CB-CE 3.6Å; L110-M191 HydrophobicContact CB-SD 4.31Å; L110-M191 HydrophobicContact CD1-CE 3.45Å; L110-M191 VanDerWaalsContact CD1-CE 3.45Å; L110-M191 HydrophobicContact CG-CE 4.06Å |
| 111 | D | 94.2 | Very high | 82.3 | Confident | 116 Ų | 116 | 81 Ų | 81 | 62% | 0.62 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -68.2 | -39.3 | -177.6 | -55.1 | -46.2 | 0 | 0 | 0 | 111.8 | T109 S115 | T109-D111 VanDerWaalsContact C-N 3.25Å; T109-D111 PolarHBondContact O-N 2.76Å; D111-S115 VanDerWaalsContact O-CB 3.25Å; D111-S115 WeakPolarHBondContact O-CB 3.25Å; D111-S115 PolarHBondContact O-N 3.24Å; D111-S115 PolarHBondContact O-OG 2.82Å |
| 112 | V | 94.3 | Very high | 84.7 | Confident | 44 Ų | 44 | 74.3 Ų | 74.3 | 27% | 0.267 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63.3 | -49 | 175.6 | 172 | 0 | 0 | 0 | 0 | 110.4 | F108 T109 S115 L116 M165 | F108-V112 HydrophobicContact CD2-CG1 4.46Å; T109-V112 PolarHBondContact O-N 2.83Å; T109-V112 WeakPolarHBondContact OG1-CG2 3.26Å; V112-S115 PolarHBondContact O-N 3.4Å; V112-L116 WeakPolarHBondContact O-CB 3.4Å; V112-L116 PolarHBondContact O-N 3.47Å; V112-M165 HydrophobicContact CG1-CE 4.08Å; V112-M165 HydrophobicContact CG1-SD 3.72Å; V112-M165 HydrophobicContact CG2-CE 4.2Å |
| 113 | L | 95.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 71.6 Ų | 71.6 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 178 | 174.4 | 56.5 | 0 | 0 | 0 | 111.9 | F108 T109 L110 S115 L116 L117 I141 A158 M191 V193 | F108-L113 HydrophobicContact CE1-CB 4.21Å; F108-L113 HydrophobicContact CE1-CD2 4.08Å; F108-L113 HydrophobicContact CZ-CB 4.03Å; F108-L113 HydrophobicContact CZ-CD1 4.06Å; F108-L113 HydrophobicContact CZ-CD2 4.37Å; F108-L113 HydrophobicContact CZ-CG 4.38Å; T109-L113 PolarHBondContact O-N 2.64Å; T109-L113 VanDerWaalsContact O-N 3.12Å; L110-L113 PolarHBondContact O-N 3.26Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 3.01Å; L113-L116 WeakPolarHBondContact O-CB 3.44Å; L113-L116 PolarHBondContact O-N 2.9Å; L113-L117 HydrophobicContact CD1-CD1 3.84Å; L113-L117 HydrophobicContact CD1-CG 4.02Å; L113-L117 HydrophobicContact CG-CD1 4.03Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 3.11Å; L113-I141 HydrophobicContact CD2-CD1 3.45Å; L113-I141 VanDerWaalsContact CD2-CD1 3.45Å; L113-I141 HydrophobicContact CG-CD1 4.15Å; L113-A158 HydrophobicContact CD1-CB 4.37Å; L113-M191 HydrophobicContact CD2-CE 4.16Å; L113-M191 HydrophobicContact CD2-SD 4.32Å; L113-V193 HydrophobicContact CD1-CG2 4.41Å; L113-V193 HydrophobicContact CD2-CG2 3.69Å |
| 114 | T | 95.9 | Very high | 89.3 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 15% | 0.153 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.5 | -42.2 | 176.2 | -64.3 | 0 | 0 | 0 | 0 | 111.6 | L110 L117 R118 L125 | L110-T114 WeakPolarHBondContact O-CB 3.32Å; L110-T114 PolarHBondContact O-N 3.31Å; L110-T114 PolarHBondContact O-OG1 2.9Å; T114-L117 PolarHBondContact O-N 2.81Å; T114-R118 WeakPolarHBondContact O-CB 3.4Å; T114-R118 VanDerWaalsContact O-CG 3.27Å; T114-R118 WeakPolarHBondContact O-CG 3.29Å; T114-R118 PolarHBondContact O-N 2.87Å; T114-L125 HydrophobicContact CG2-CD2 3.97Å |
| 115 | S | 96.1 | Very high | 91.6 | Very high | 74 Ų | 74 | 64.4 Ų | 64.4 | 52% | 0.517 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.5 | -42.2 | 177.4 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | D111 V112 L113 R118 Q119 | D111-S115 VanDerWaalsContact O-CB 3.25Å; D111-S115 WeakPolarHBondContact O-CB 3.25Å; D111-S115 PolarHBondContact O-N 3.24Å; D111-S115 PolarHBondContact O-OG 2.82Å; V112-S115 PolarHBondContact O-N 3.4Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 3.01Å; S115-R118 PolarHBondContact O-N 3.41Å; S115-Q119 WeakPolarHBondContact O-CB 3.34Å; S115-Q119 PolarHBondContact O-N 2.78Å |
| 116 | L | 96.2 | Very high | 93.5 | Very high | 8 Ų | 8 | 62.9 Ų | 62.9 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 175.2 | -176 | 163.6 | 0 | 0 | 0 | 111.8 | V112 L113 R118 Q119 E120 Y157 A158 V161 | V112-L116 WeakPolarHBondContact O-CB 3.4Å; V112-L116 PolarHBondContact O-N 3.47Å; L113-L116 WeakPolarHBondContact O-CB 3.44Å; L113-L116 PolarHBondContact O-N 2.9Å; L116-R118 VanDerWaalsContact C-N 3.3Å; L116-R118 PolarHBondContact O-N 3.37Å; L116-Q119 WeakPolarHBondContact O-CB 2.98Å; L116-Q119 PolarHBondContact O-N 3.48Å; L116-E120 HydrophobicContact CD2-CG 4.44Å; L116-E120 PolarHBondContact O-N 3.44Å; L116-Y157 HydrophobicContact CD1-CD1 4.19Å; L116-Y157 HydrophobicContact CD1-CE1 4.17Å; L116-Y157 HydrophobicContact CD2-CD1 3.59Å; L116-Y157 HydrophobicContact CD2-CE1 4.02Å; L116-Y157 HydrophobicContact CG-CD1 3.76Å; L116-Y157 HydrophobicContact CG-CE1 3.67Å; L116-A158 HydrophobicContact CD1-CB 4.4Å; L116-A158 HydrophobicContact CD2-CB 4.04Å; L116-V161 HydrophobicContact CD1-CB 3.6Å; L116-V161 HydrophobicContact CD1-CG1 3.94Å; L116-V161 HydrophobicContact CD1-CG2 3.57Å |
| 117 | L | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -35.5 | 179.6 | -66.8 | 169.6 | 0 | 0 | 0 | 112.1 | L113 T114 N121 A122 L125 I141 V143 M154 F195 | L113-L117 HydrophobicContact CD1-CD1 3.84Å; L113-L117 HydrophobicContact CD1-CG 4.02Å; L113-L117 HydrophobicContact CG-CD1 4.03Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 3.11Å; T114-L117 PolarHBondContact O-N 2.81Å; L117-N121 PolarHBondContact O-N 2.82Å; L117-A122 HydrophobicContact CB-CB 4.41Å; L117-A122 VanDerWaalsContact O-CB 3.26Å; L117-A122 WeakPolarHBondContact O-CB 3.35Å; L117-A122 PolarHBondContact O-N 3.32Å; L117-L125 HydrophobicContact CB-CD1 4.46Å; L117-L125 HydrophobicContact CD1-CD1 3.73Å; L117-I141 HydrophobicContact CD1-CG2 4.29Å; L117-V143 HydrophobicContact CD1-CG2 3.83Å; L117-V143 HydrophobicContact CD2-CG1 4.35Å; L117-V143 HydrophobicContact CD2-CG2 4.29Å; L117-M154 HydrophobicContact CD2-CE 3.94Å; L117-F195 HydrophobicContact CD2-CE1 3.55Å; L117-F195 HydrophobicContact CD2-CZ 4.01Å |
| 118 | R | 96.1 | Very high | 95.3 | Very high | 174 Ų | 174 | 56.5 Ų | 56.5 | 66% | 0.657 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.8 | -39.7 | 172.2 | -72.5 | 170.1 | -179.5 | -107.4 | -0.7 | 112.3 | T114 S115 L116 E120 N121 L125 | T114-R118 WeakPolarHBondContact O-CB 3.4Å; T114-R118 VanDerWaalsContact O-CG 3.27Å; T114-R118 WeakPolarHBondContact O-CG 3.29Å; T114-R118 PolarHBondContact O-N 2.87Å; S115-R118 PolarHBondContact O-N 3.41Å; L116-R118 VanDerWaalsContact C-N 3.3Å; L116-R118 PolarHBondContact O-N 3.37Å; R118-E120 VanDerWaalsContact C-N 3.33Å; R118-E120 PolarHBondContact O-N 3.04Å; R118-N121 PolarHBondContact O-N 3.3Å; R118-L125 HydrophobicContact CG-CD2 4.43Å |
| 119 | Q | 96.8 | Very high | 95.6 | Very high | 124 Ų | 124 | 61.6 Ų | 61.6 | 58% | 0.579 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.3 | -39.6 | 177.1 | 179.3 | -176.7 | -31.2 | 0 | 0 | 112.1 | S115 L116 N121 | S115-Q119 WeakPolarHBondContact O-CB 3.34Å; S115-Q119 PolarHBondContact O-N 2.78Å; L116-Q119 WeakPolarHBondContact O-CB 2.98Å; L116-Q119 PolarHBondContact O-N 3.48Å; Q119-N121 PolarHBondContact O-N 2.88Å; Q119-N121 PolarHBondContact O-ND2 3.19Å |
| 120 | E | 95.9 | Very high | 95.7 | Very high | 57 Ų | 57 | 59.6 Ų | 59.6 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 7.1 | 173.7 | -62.5 | -63.5 | 122.6 | 0 | 0 | 113.3 | L116 R118 H150 M154 Y157 | L116-E120 HydrophobicContact CD2-CG 4.44Å; L116-E120 PolarHBondContact O-N 3.44Å; R118-E120 VanDerWaalsContact C-N 3.33Å; R118-E120 PolarHBondContact O-N 3.04Å; E120-H150 PolarHBondContact O-NE2 2.93Å; E120-M154 HydrophobicContact CB-CG 3.88Å; E120-Y157 HydrophobicContact CG-CD1 3.54Å; E120-Y157 HydrophobicContact CG-CE1 3.99Å; E120-Y157 WeakPolarHBondContact OE1-CD1 3.45Å; E120-Y157 WeakPolarHBondContact OE1-CE1 3.26Å |
| 121 | N | 95.5 | Very high | 95.5 | Very high | 124 Ų | 124 | 60 Ų | 60 | 66% | 0.663 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 51.2 | 179.9 | -52 | -83.9 | 0 | 0 | 0 | 113.6 | L117 R118 Q119 V123 H150 | L117-N121 PolarHBondContact O-N 2.82Å; R118-N121 PolarHBondContact O-N 3.3Å; Q119-N121 PolarHBondContact O-N 2.88Å; Q119-N121 PolarHBondContact O-ND2 3.19Å; N121-V123 PolarHBondContact O-N 2.95Å; N121-H150 PolarHBondContact O-CE1 2.87Å |
| 122 | A | 95.4 | Very high | 95.4 | Very high | 24 Ų | 24 | 60.9 Ų | 60.9 | 20% | 0.198 | 32% | 0.321 | C | S | . | . | trans | -48.1 | 134.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L117 V143 M154 | L117-A122 HydrophobicContact CB-CB 4.41Å; L117-A122 VanDerWaalsContact O-CB 3.26Å; L117-A122 WeakPolarHBondContact O-CB 3.35Å; L117-A122 PolarHBondContact O-N 3.32Å; A122-V143 HydrophobicContact CB-CG1 3.84Å; A122-M154 HydrophobicContact CB-CE 3.6Å | ||
| 123 | V | 95.1 | Very high | 95.2 | Very high | 89 Ų | 89 | 66.5 Ų | 66.5 | 54% | 0.539 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -73.3 | -44.9 | -176.5 | -179.4 | 0 | 0 | 0 | 0 | 110.5 | N121 S144 V146 | N121-V123 PolarHBondContact O-N 2.95Å; V123-S144 WeakPolarHBondContact CB-O 3.34Å; V123-S144 PolarHBondContact N-O 3.46Å; V123-V146 HydrophobicContact CG2-CB 4.4Å; V123-V146 HydrophobicContact CG2-CG2 3.37Å |
| 124 | D | 95.8 | Very high | 94.9 | Very high | 80 Ų | 80 | 67.8 Ų | 67.8 | 43% | 0.428 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 146.5 | 174.8 | -177.3 | 25 | 0 | 0 | 0 | 109.5 | V143 S144 R201 | D124-V143 WeakPolarHBondContact O-CA 3.23Å; D124-S144 PolarHBondContact O-N 3.36Å; D124-R201 IonicContact OD1-NH2 3.86Å; D124-R201 IonicContact OD2-CZ 2.7Å; D124-R201 IonicContact OD2-NE 2.62Å; D124-R201 IonicContact OD2-NH1 3.99Å; D124-R201 PolarHBondContact OD2-NH1 3.21Å; D124-R201 IonicContact OD2-NH2 3.24Å; D124-R201 PolarHBondContact OD2-NH2 3.29Å |
| 125 | L | 96.5 | Very high | 94.6 | Very high | 37 Ų | 37 | 76.2 Ų | 76.2 | 19% | 0.194 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 102 | -170.8 | 179.9 | 66.5 | 0 | 0 | 0 | 109.8 | T114 L117 R118 I141 V142 V143 | T114-L125 HydrophobicContact CG2-CD2 3.97Å; L117-L125 HydrophobicContact CB-CD1 4.46Å; L117-L125 HydrophobicContact CD1-CD1 3.73Å; R118-L125 HydrophobicContact CG-CD2 4.43Å; L125-I141 HydrophobicContact CD1-CG2 3.6Å; L125-V142 WeakPolarHBondContact CA-O 3.36Å; L125-V143 HydrophobicContact CD1-CG2 3.84Å |
| 126 | C | 96.6 | Very high | 94.3 | Very high | 28 Ų | 28 | 77.9 Ų | 77.9 | 19% | 0.189 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 135.7 | 172 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | I141 V142 R201 E207 | C126-I141 WeakPolarHBondContact O-CA 3.47Å; C126-V142 HydrophobicContact CB-CB 4.35Å; C126-V142 PolarHBondContact N-O 3.05Å; C126-V142 PolarHBondContact O-N 3.37Å; C126-R201 VanDerWaalsContact CB-NH2 3.34Å; C126-E207 HydrophobicContact CB-CG 4.28Å; C126-E207 WeakPolarHBondContact CB-OE2 3.29Å; C126-E207 PolarHBondContact SG-OE2 2.95Å |
| 127 | V | 97 | Very high | 94.1 | Very high | 58 Ų | 58 | 78 Ų | 78 | 35% | 0.352 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.4 | 178.3 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | L110 Y139 I141 | L110-V127 HydrophobicContact CD1-CG1 3.8Å; L110-V127 HydrophobicContact CD1-CG2 4.31Å; L110-V127 HydrophobicContact CD2-CG1 4.17Å; V127-Y139 HydrophobicContact CG1-CD1 4.28Å; V127-I141 HydrophobicContact CG1-CG1 4.2Å; V127-I141 HydrophobicContact CG2-CG1 4.23Å; V127-I141 HydrophobicContact CG2-CG2 4.44Å |
| 128 | I | 96.1 | Very high | 94 | Very high | 15 Ų | 15 | 81.4 Ų | 81.4 | 8% | 0.077 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.9 | -178.8 | -56.7 | 175.4 | 0 | 0 | 0 | 107.5 | V130 L140 E207 W210 T211 | I128-V130 PolarHBondContact O-N 3.27Å; I128-L140 HydrophobicContact CD1-CD2 4.33Å; I128-L140 PolarHBondContact N-O 3.12Å; I128-L140 PolarHBondContact O-N 3.01Å; I128-E207 HydrophobicContact CD1-CB 4.32Å; I128-E207 HydrophobicContact CD1-CG 4.26Å; I128-W210 HydrophobicContact CD1-CB 4.06Å; I128-W210 HydrophobicContact CG2-CB 4.31Å; I128-T211 HydrophobicContact CD1-CG2 4.31Å; I128-T211 HydrophobicContact CG2-CG2 4.32Å |
| 129 | K | 95.4 | Very high | 94 | Very high | 136 Ų | 136 | 76.6 Ų | 76.6 | 59% | 0.591 | 39% | 0.387 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 120.3 | 167.7 | -175.7 | 178.6 | 177.7 | -175.7 | 0 | 108.3 | Y139 | K129-Y139 HydrophobicContact CB-CD1 4.3Å; K129-Y139 HydrophobicContact CB-CE1 4.16Å; K129-Y139 HydrophobicContact CG-CD1 4.45Å; K129-Y139 HydrophobicContact CG-CE1 4.09Å |
| 130 | V | 94.4 | Very high | 94 | Very high | 2 Ų | 2 | 70.7 Ų | 70.7 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -83 | 136.5 | 174.8 | 177.8 | 0 | 0 | 0 | 0 | 107.9 | I128 I134 A137 D138 L140 | I128-V130 PolarHBondContact O-N 3.27Å; V130-I134 HydrophobicContact CG1-CB 3.99Å; V130-I134 HydrophobicContact CG1-CD1 4.09Å; V130-I134 HydrophobicContact CG1-CG2 4.4Å; V130-A137 VanDerWaalsContact CB-O 3.23Å; V130-A137 WeakPolarHBondContact CB-O 3.41Å; V130-A137 WeakPolarHBondContact CG1-O 3.46Å; V130-D138 PolarHBondContact N-O 3.13Å; V130-L140 HydrophobicContact CG2-CB 3.9Å |
| 131 | P | 91.6 | Very high | 94.1 | Very high | 46 Ų | 46 | 68 Ų | 68 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 138.3 | 178.8 | 31.4 | -36.6 | 0 | 0 | 0 | 112 | H133 I134 | P131-H133 WeakPolarHBondContact CB-CE1 3.2Å; P131-H133 VanDerWaalsContact CB-NE2 3.26Å; P131-H133 WeakPolarHBondContact CB-NE2 3.27Å; P131-H133 WeakPolarHBondContact CG-NE2 3.47Å; P131-H133 PolarHBondContact O-N 2.9Å; P131-I134 HydrophobicContact CG-CD1 3.76Å; P131-I134 HydrophobicContact CG-CG1 4.2Å; P131-I134 PolarHBondContact O-N 2.9Å |
| 132 | D | 90.6 | Very high | 94.2 | Very high | 133 Ų | 133 | 62 Ų | 62 | 71% | 0.711 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -15.4 | -169.1 | -42.2 | -7.8 | 0 | 0 | 0 | 115.7 | I134 | D132-I134 VanDerWaalsContact C-N 3.25Å; D132-I134 PolarHBondContact O-N 2.64Å |
| 133 | H | 90.9 | Very high | 94.3 | Very high | 162 Ų | 162 | 61 Ų | 61 | 75% | 0.75 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -13.3 | 173.8 | 68 | -97.4 | 0 | 0 | 0 | 113.4 | P131 | P131-H133 WeakPolarHBondContact CB-CE1 3.2Å; P131-H133 VanDerWaalsContact CB-NE2 3.26Å; P131-H133 WeakPolarHBondContact CB-NE2 3.27Å; P131-H133 WeakPolarHBondContact CG-NE2 3.47Å; P131-H133 PolarHBondContact O-N 2.9Å |
| 134 | I | 88.4 | Confident | 94.4 | Very high | 28 Ų | 28 | 57 Ų | 57 | 14% | 0.144 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -98.8 | 106.1 | 173.4 | -49.9 | 171.8 | 0 | 0 | 0 | 107.5 | V130 P131 D132 Y136 W210 | V130-I134 HydrophobicContact CG1-CB 3.99Å; V130-I134 HydrophobicContact CG1-CD1 4.09Å; V130-I134 HydrophobicContact CG1-CG2 4.4Å; P131-I134 HydrophobicContact CG-CD1 3.76Å; P131-I134 HydrophobicContact CG-CG1 4.2Å; P131-I134 PolarHBondContact O-N 2.9Å; D132-I134 VanDerWaalsContact C-N 3.25Å; D132-I134 PolarHBondContact O-N 2.64Å; I134-Y136 PolarHBondContact O-N 3.28Å; I134-W210 HydrophobicContact CG2-CZ3 4.48Å |
| 135 | Q | 88.9 | Confident | 94.4 | Very high | 202 Ų | 202 | 53.1 Ų | 53.1 | 94% | 0.944 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -75.5 | 70.3 | 176.4 | -62.8 | -178.1 | 22.5 | 0 | 0 | 110.8 | ||
| 136 | Y | 90.9 | Very high | 94.3 | Very high | 109 Ų | 109 | 56.8 Ų | 56.8 | 43% | 0.427 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -126.1 | -65.6 | 178.7 | -177.9 | -109.3 | 0 | 0 | 0 | 111.8 | I134 L140 V192 W210 | I134-Y136 PolarHBondContact O-N 3.28Å; Y136-L140 HydrophobicContact CE1-CD1 4.22Å; Y136-V192 HydrophobicContact CE1-CB 4.38Å; Y136-V192 HydrophobicContact CE1-CG2 4.07Å; Y136-W210 AromaticContact CD1-CH2 3.68Å; Y136-W210 HydrophobicContact CD1-CH2 3.68Å; Y136-W210 HydrophobicContact CD1-CZ2 4.26Å; Y136-W210 HydrophobicContact CD1-CZ3 4.33Å; Y136-W210 HydrophobicContact CE1-CH2 4.02Å; Y136-W210 HydrophobicContact CE1-CZ2 4.13Å; Y136-W210 HydrophobicContact CG-CH2 4.11Å |
| 137 | A | 92.8 | Very high | 94.3 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | trans | -157.6 | 165.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | V130 V192 | V130-A137 VanDerWaalsContact CB-O 3.23Å; V130-A137 WeakPolarHBondContact CB-O 3.41Å; V130-A137 WeakPolarHBondContact CG1-O 3.46Å; A137-V192 HydrophobicContact CB-CG2 3.95Å | ||
| 138 | D | 93.9 | Very high | 94.2 | Very high | 71 Ų | 71 | 56.1 Ų | 56.1 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -79.7 | -37.9 | 173 | -57.7 | -21.5 | 0 | 0 | 0 | 110.6 | V130 K190 | V130-D138 PolarHBondContact N-O 3.13Å; D138-K190 WeakPolarHBondContact CB-O 3.41Å; D138-K190 PolarHBondContact N-O 3.37Å; D138-K190 WeakPolarHBondContact OD2-CD 3.38Å |
| 139 | Y | 96.2 | Very high | 94.2 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 28% | 0.282 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 132.9 | -179 | -61.6 | -82.3 | 0 | 0 | 0 | 111.4 | L110 V127 K129 K190 M191 V192 | L110-Y139 HydrophobicContact CD2-CD1 4.07Å; L110-Y139 HydrophobicContact CD2-CE1 3.89Å; V127-Y139 HydrophobicContact CG1-CD1 4.28Å; K129-Y139 HydrophobicContact CB-CD1 4.3Å; K129-Y139 HydrophobicContact CB-CE1 4.16Å; K129-Y139 HydrophobicContact CG-CD1 4.45Å; K129-Y139 HydrophobicContact CG-CE1 4.09Å; Y139-K190 PolarHBondContact N-O 3.03Å; Y139-M191 HydrophobicContact CD2-CE 3.95Å; Y139-M191 HydrophobicContact CD2-CG 4.27Å; Y139-M191 HydrophobicContact CG-CE 3.97Å; Y139-M191 WeakPolarHBondContact O-CA 3.45Å; Y139-V192 PolarHBondContact O-N 3.05Å |
| 140 | L | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.2 | 167.8 | -172.6 | 151.4 | 0 | 0 | 0 | 108.4 | I128 V130 Y136 V142 W210 | I128-L140 HydrophobicContact CD1-CD2 4.33Å; I128-L140 PolarHBondContact N-O 3.12Å; I128-L140 PolarHBondContact O-N 3.01Å; V130-L140 HydrophobicContact CG2-CB 3.9Å; Y136-L140 HydrophobicContact CE1-CD1 4.22Å; L140-V142 HydrophobicContact CD2-CG2 3.66Å; L140-W210 HydrophobicContact CD1-CD2 3.75Å; L140-W210 HydrophobicContact CD1-CE3 4.45Å; L140-W210 HydrophobicContact CD1-CG 3.97Å; L140-W210 HydrophobicContact CD1-CH2 4.46Å; L140-W210 HydrophobicContact CD1-CZ2 3.77Å; L140-W210 VanDerWaalsContact CD1-NE1 3.33Å |
| 141 | I | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.6 | -178.3 | -60.6 | 169.2 | 0 | 0 | 0 | 108.4 | L110 L113 L117 L125 C126 V127 V143 M191 V192 V193 H194 | L110-I141 HydrophobicContact CD1-CD1 3.86Å; L113-I141 HydrophobicContact CD2-CD1 3.45Å; L113-I141 VanDerWaalsContact CD2-CD1 3.45Å; L113-I141 HydrophobicContact CG-CD1 4.15Å; L117-I141 HydrophobicContact CD1-CG2 4.29Å; L125-I141 HydrophobicContact CD1-CG2 3.6Å; C126-I141 WeakPolarHBondContact O-CA 3.47Å; V127-I141 HydrophobicContact CG1-CG1 4.2Å; V127-I141 HydrophobicContact CG2-CG1 4.23Å; V127-I141 HydrophobicContact CG2-CG2 4.44Å; I141-V143 HydrophobicContact CG2-CG2 3.76Å; I141-M191 HydrophobicContact CD1-CE 3.56Å; I141-M191 HydrophobicContact CG1-CE 4.49Å; I141-V192 PolarHBondContact N-O 2.96Å; I141-V193 HydrophobicContact CB-CG1 4.32Å; I141-V193 HydrophobicContact CB-CG2 4.21Å; I141-V193 HydrophobicContact CD1-CG2 4.23Å; I141-V193 HydrophobicContact CG2-CG1 4.21Å; I141-V193 WeakPolarHBondContact O-CA 3.49Å; I141-H194 PolarHBondContact O-N 2.92Å |
| 142 | V | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 123.8 | 173.9 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | L125 C126 L140 M196 R201 E207 | L125-V142 WeakPolarHBondContact CA-O 3.36Å; C126-V142 HydrophobicContact CB-CB 4.35Å; C126-V142 PolarHBondContact N-O 3.05Å; C126-V142 PolarHBondContact O-N 3.37Å; L140-V142 HydrophobicContact CD2-CG2 3.66Å; V142-M196 HydrophobicContact CG1-CE 3.29Å; V142-R201 HydrophobicContact CG1-CG 4.45Å; V142-E207 HydrophobicContact CG2-CG 4.33Å |
| 143 | V | 97.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.6 | -176.9 | -167.7 | 0 | 0 | 0 | 0 | 109.5 | L117 A122 D124 L125 I141 M154 V193 H194 F195 M196 | L117-V143 HydrophobicContact CD1-CG2 3.83Å; L117-V143 HydrophobicContact CD2-CG1 4.35Å; L117-V143 HydrophobicContact CD2-CG2 4.29Å; A122-V143 HydrophobicContact CB-CG1 3.84Å; D124-V143 WeakPolarHBondContact O-CA 3.23Å; L125-V143 HydrophobicContact CD1-CG2 3.84Å; I141-V143 HydrophobicContact CG2-CG2 3.76Å; V143-M154 HydrophobicContact CG1-CE 3.64Å; V143-V193 HydrophobicContact CG2-CG1 3.49Å; V143-V193 VanDerWaalsContact CG2-CG1 3.49Å; V143-H194 PolarHBondContact N-O 3.32Å; V143-F195 HydrophobicContact CB-CD1 3.96Å; V143-F195 HydrophobicContact CB-CE1 4.42Å; V143-F195 HydrophobicContact CG1-CD1 4.1Å; V143-F195 HydrophobicContact CG1-CE1 4.41Å; V143-F195 HydrophobicContact CG2-CD1 4.3Å; V143-F195 HydrophobicContact CG2-CE1 4.34Å; V143-F195 WeakPolarHBondContact O-CA 3.33Å; V143-M196 PolarHBondContact O-N 3.05Å |
| 144 | S | 97.3 | Very high | 94.9 | Very high | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 137.5 | 170.3 | -65.7 | 0 | 0 | 0 | 0 | 112 | V123 D124 M196 R201 | V123-S144 WeakPolarHBondContact CB-O 3.34Å; V123-S144 PolarHBondContact N-O 3.46Å; D124-S144 PolarHBondContact O-N 3.36Å; S144-M196 VanDerWaalsContact CA-O 3.31Å; S144-M196 WeakPolarHBondContact CA-O 3.41Å; S144-R201 WeakPolarHBondContact OG-CD 3.15Å; S144-R201 PolarHBondContact OG-NH1 3.47Å |
| 145 | G | 95.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -122.6 | 158.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S147 M196 | G145-S147 VanDerWaalsContact C-N 3.31Å; G145-S147 PolarHBondContact O-N 3.38Å; G145-M196 PolarHBondContact N-O 3.33Å | ||
| 146 | V | 95.6 | Very high | 95.6 | Very high | 113 Ų | 113 | 45.3 Ų | 45.3 | 69% | 0.685 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -68 | -27.8 | -177.5 | -173.1 | 0 | 0 | 0 | 0 | 113 | V123 | V123-V146 HydrophobicContact CG2-CB 4.4Å; V123-V146 HydrophobicContact CG2-CG2 3.37Å |
| 147 | S | 95.8 | Very high | 95.8 | Very high | 43 Ų | 43 | 43.5 Ų | 43.5 | 30% | 0.301 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -157.3 | 161.5 | -177.2 | 65 | 0 | 0 | 0 | 0 | 112.6 | G145 R149 H150 I151 | G145-S147 VanDerWaalsContact C-N 3.31Å; G145-S147 PolarHBondContact O-N 3.38Å; S147-R149 PolarHBondContact O-N 3.46Å; S147-R149 VanDerWaalsContact O-N 3.12Å; S147-H150 WeakPolarHBondContact O-CB 3.45Å; S147-H150 PolarHBondContact O-N 2.7Å; S147-H150 WeakPolarHBondContact OG-CB 3.49Å; S147-H150 PolarHBondContact OG-N 2.84Å; S147-I151 PolarHBondContact O-N 2.94Å |
| 148 | P | 95.3 | Very high | 95.9 | Very high | 30 Ų | 30 | 43 Ų | 43 | 20% | 0.195 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -54.8 | -29.6 | 173.6 | -31.7 | 39.9 | 0 | 0 | 0 | 114.3 | R152 E181 L197 | P148-R152 WeakPolarHBondContact O-CB 3.39Å; P148-R152 VanDerWaalsContact O-CG 3.32Å; P148-R152 WeakPolarHBondContact O-CG 3.32Å; P148-R152 PolarHBondContact O-N 2.85Å; P148-R152 PolarHBondContact O-NE 3.26Å; P148-E181 HydrophobicContact CB-CB 3.99Å; P148-E181 VanDerWaalsContact CB-O 3.23Å; P148-E181 WeakPolarHBondContact CB-O 3.3Å; P148-E181 HydrophobicContact CG-CB 4.1Å; P148-L197 HydrophobicContact CG-CD1 4.22Å; P148-L197 HydrophobicContact CG-CD2 4.49Å |
| 149 | R | 95.1 | Very high | 96 | Very high | 212 Ų | 212 | 41 Ų | 41 | 80% | 0.8 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -75.7 | -38.8 | 176.6 | -173.3 | -179.8 | 178.7 | 112.7 | 0.6 | 111.5 | S147 A153 | S147-R149 PolarHBondContact O-N 3.46Å; S147-R149 VanDerWaalsContact O-N 3.12Å; R149-A153 WeakPolarHBondContact O-CB 3.3Å; R149-A153 PolarHBondContact O-N 2.85Å |
| 150 | H | 95.7 | Very high | 95.9 | Very high | 48 Ų | 48 | 44.9 Ų | 44.9 | 22% | 0.222 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -51.2 | 176.7 | -169.7 | -117.5 | 0 | 0 | 0 | 110.7 | E120 N121 S147 R152 A153 M154 | E120-H150 PolarHBondContact O-NE2 2.93Å; N121-H150 PolarHBondContact O-CE1 2.87Å; S147-H150 WeakPolarHBondContact O-CB 3.45Å; S147-H150 PolarHBondContact O-N 2.7Å; S147-H150 WeakPolarHBondContact OG-CB 3.49Å; S147-H150 PolarHBondContact OG-N 2.84Å; H150-R152 PolarHBondContact O-N 2.73Å; H150-A153 PolarHBondContact O-N 2.69Å; H150-A153 VanDerWaalsContact O-N 3.11Å; H150-M154 PolarHBondContact CE1-SD 3Å; H150-M154 PolarHBondContact ND1-SD 3.48Å; H150-M154 VanDerWaalsContact ND1-SD 3.36Å; H150-M154 WeakPolarHBondContact O-CG 3.44Å; H150-M154 PolarHBondContact O-N 2.97Å |
| 151 | I | 95.7 | Very high | 95.8 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -51.6 | -52.8 | 174.9 | -75.4 | 161.8 | 0 | 0 | 0 | 111.3 | S147 A153 M154 A155 M184 F195 M196 L197 | S147-I151 PolarHBondContact O-N 2.94Å; I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 3.41Å; I151-M154 PolarHBondContact O-N 2.91Å; I151-A155 WeakPolarHBondContact O-CB 3.48Å; I151-A155 PolarHBondContact O-N 2.88Å; I151-M184 HydrophobicContact CG2-CB 4.33Å; I151-F195 HydrophobicContact CB-CB 4.47Å; I151-F195 HydrophobicContact CG2-CB 3.56Å; I151-M196 VanDerWaalsContact CD1-C 3.41Å; I151-M196 WeakPolarHBondContact CD1-O 3.36Å; I151-L197 HydrophobicContact CD1-CD2 3.71Å; I151-L197 HydrophobicContact CD1-CG 4Å |
| 152 | R | 95.3 | Very high | 95.6 | Very high | 77 Ų | 77 | 47 Ų | 47 | 29% | 0.291 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.2 | -38.4 | 179 | -78.4 | -179 | -79.5 | -161.8 | -3.1 | 112.8 | P148 H150 L156 E181 M184 | P148-R152 WeakPolarHBondContact O-CB 3.39Å; P148-R152 VanDerWaalsContact O-CG 3.32Å; P148-R152 WeakPolarHBondContact O-CG 3.32Å; P148-R152 PolarHBondContact O-N 2.85Å; P148-R152 PolarHBondContact O-NE 3.26Å; H150-R152 PolarHBondContact O-N 2.73Å; R152-L156 WeakPolarHBondContact O-CB 3.32Å; R152-L156 WeakPolarHBondContact O-CD1 3.23Å; R152-L156 WeakPolarHBondContact O-CG 3.45Å; R152-L156 PolarHBondContact O-N 3.04Å; R152-L156 VanDerWaalsContact O-N 3.14Å; R152-E181 IonicContact CZ-OE1 2.73Å; R152-E181 IonicContact NH1-OE1 3.15Å; R152-E181 PolarHBondContact NH1-OE1 2.88Å; R152-E181 VanDerWaalsContact NH1-OE1 3.15Å; R152-E181 IonicContact NH2-OE1 2.96Å; R152-E181 PolarHBondContact NH2-OE1 2.85Å; R152-M184 HydrophobicContact CG-CE 3.64Å |
| 153 | A | 95.5 | Very high | 95.3 | Very high | 49 Ų | 49 | 53.9 Ų | 53.9 | 41% | 0.405 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.5 | -48.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R149 H150 I151 A155 L156 Y157 | R149-A153 WeakPolarHBondContact O-CB 3.3Å; R149-A153 PolarHBondContact O-N 2.85Å; H150-A153 PolarHBondContact O-N 2.69Å; H150-A153 VanDerWaalsContact O-N 3.11Å; I151-A153 VanDerWaalsContact C-N 3.33Å; I151-A153 PolarHBondContact O-N 3.41Å; A153-A155 PolarHBondContact O-N 2.88Å; A153-L156 PolarHBondContact O-N 3.45Å; A153-Y157 WeakPolarHBondContact O-CB 3.4Å; A153-Y157 PolarHBondContact O-N 3.01Å |
| 154 | M | 96.1 | Very high | 95 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 177.4 | -66.8 | 169.2 | 70.1 | 0 | 0 | 111.9 | L117 E120 A122 V143 H150 I151 Y157 A158 F195 | L117-M154 HydrophobicContact CD2-CE 3.94Å; E120-M154 HydrophobicContact CB-CG 3.88Å; A122-M154 HydrophobicContact CB-CE 3.6Å; V143-M154 HydrophobicContact CG1-CE 3.64Å; H150-M154 PolarHBondContact CE1-SD 3Å; H150-M154 PolarHBondContact ND1-SD 3.48Å; H150-M154 VanDerWaalsContact ND1-SD 3.36Å; H150-M154 WeakPolarHBondContact O-CG 3.44Å; H150-M154 PolarHBondContact O-N 2.97Å; I151-M154 PolarHBondContact O-N 2.91Å; M154-Y157 PolarHBondContact O-N 3.28Å; M154-A158 PolarHBondContact O-N 3.47Å; M154-F195 HydrophobicContact CB-CD1 4.28Å; M154-F195 HydrophobicContact CB-CE1 3.91Å; M154-F195 HydrophobicContact CE-CE1 4.4Å |
| 155 | A | 95.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I151 A153 Y157 A158 I159 M184 V186 F195 | I151-A155 WeakPolarHBondContact O-CB 3.48Å; I151-A155 PolarHBondContact O-N 2.88Å; A153-A155 PolarHBondContact O-N 2.88Å; A155-Y157 VanDerWaalsContact C-N 3.31Å; A155-Y157 PolarHBondContact O-N 3.03Å; A155-A158 PolarHBondContact O-N 2.89Å; A155-I159 WeakPolarHBondContact O-CD1 3.41Å; A155-I159 VanDerWaalsContact O-CG1 3.23Å; A155-I159 WeakPolarHBondContact O-CG1 3.49Å; A155-I159 PolarHBondContact O-N 3.28Å; A155-M184 HydrophobicContact CB-SD 3.72Å; A155-V186 HydrophobicContact CB-CG2 4.04Å; A155-F195 HydrophobicContact CB-CD2 3.92Å; A155-F195 HydrophobicContact CB-CE1 4.44Å; A155-F195 HydrophobicContact CB-CE2 3.77Å; A155-F195 HydrophobicContact CB-CG 4.34Å; A155-F195 HydrophobicContact CB-CZ 4.04Å |
| 156 | L | 95.3 | Very high | 94.1 | Very high | 107 Ų | 107 | 66 Ų | 66 | 56% | 0.56 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.3 | -34.3 | 176.7 | -70.2 | 172.7 | 0 | 0 | 0 | 112.6 | R152 A153 K160 | R152-L156 WeakPolarHBondContact O-CB 3.32Å; R152-L156 WeakPolarHBondContact O-CD1 3.23Å; R152-L156 WeakPolarHBondContact O-CG 3.45Å; R152-L156 PolarHBondContact O-N 3.04Å; R152-L156 VanDerWaalsContact O-N 3.14Å; A153-L156 PolarHBondContact O-N 3.45Å; L156-K160 WeakPolarHBondContact O-CB 3.47Å; L156-K160 PolarHBondContact O-N 3.1Å |
| 157 | Y | 96 | Very high | 93.4 | Very high | 70 Ų | 70 | 65.3 Ų | 65.3 | 28% | 0.275 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69.6 | -44.8 | 175.7 | -176.6 | -123.9 | 0 | 0 | 0 | 112 | L116 E120 A153 M154 A155 I159 K160 V161 | L116-Y157 HydrophobicContact CD1-CD1 4.19Å; L116-Y157 HydrophobicContact CD1-CE1 4.17Å; L116-Y157 HydrophobicContact CD2-CD1 3.59Å; L116-Y157 HydrophobicContact CD2-CE1 4.02Å; L116-Y157 HydrophobicContact CG-CD1 3.76Å; L116-Y157 HydrophobicContact CG-CE1 3.67Å; E120-Y157 HydrophobicContact CG-CD1 3.54Å; E120-Y157 HydrophobicContact CG-CE1 3.99Å; E120-Y157 WeakPolarHBondContact OE1-CD1 3.45Å; E120-Y157 WeakPolarHBondContact OE1-CE1 3.26Å; A153-Y157 WeakPolarHBondContact O-CB 3.4Å; A153-Y157 PolarHBondContact O-N 3.01Å; M154-Y157 PolarHBondContact O-N 3.28Å; A155-Y157 VanDerWaalsContact C-N 3.31Å; A155-Y157 PolarHBondContact O-N 3.03Å; Y157-I159 VanDerWaalsContact C-N 3.31Å; Y157-I159 PolarHBondContact O-N 2.77Å; Y157-K160 WeakPolarHBondContact O-CB 3.42Å; Y157-K160 PolarHBondContact O-N 2.97Å; Y157-K160 VanDerWaalsContact O-N 3.09Å; Y157-V161 HydrophobicContact CD2-CG2 4.42Å; Y157-V161 HydrophobicContact CE2-CG2 4.02Å; Y157-V161 PolarHBondContact O-N 3.48Å |
| 158 | A | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.6 | -44.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L113 L116 M154 A155 K160 V161 F162 F188 F195 | L113-A158 HydrophobicContact CD1-CB 4.37Å; L116-A158 HydrophobicContact CD1-CB 4.4Å; L116-A158 HydrophobicContact CD2-CB 4.04Å; M154-A158 PolarHBondContact O-N 3.47Å; A155-A158 PolarHBondContact O-N 2.89Å; A158-K160 PolarHBondContact O-N 3.35Å; A158-V161 PolarHBondContact O-N 2.99Å; A158-F162 WeakPolarHBondContact O-CB 3.36Å; A158-F162 PolarHBondContact O-N 3.16Å; A158-F188 HydrophobicContact CB-CZ 4.05Å; A158-F195 HydrophobicContact CB-CZ 4.49Å |
| 159 | I | 94.6 | Very high | 91.7 | Very high | 31 Ų | 31 | 75.7 Ų | 75.7 | 16% | 0.159 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.7 | -37 | 176.2 | -65.5 | 162.9 | 0 | 0 | 0 | 112 | A155 Y157 K163 A173 I175 V186 F188 | A155-I159 WeakPolarHBondContact O-CD1 3.41Å; A155-I159 VanDerWaalsContact O-CG1 3.23Å; A155-I159 WeakPolarHBondContact O-CG1 3.49Å; A155-I159 PolarHBondContact O-N 3.28Å; Y157-I159 VanDerWaalsContact C-N 3.31Å; Y157-I159 PolarHBondContact O-N 2.77Å; I159-K163 VanDerWaalsContact O-CB 3.29Å; I159-K163 WeakPolarHBondContact O-CB 3.24Å; I159-K163 PolarHBondContact O-N 2.87Å; I159-A173 HydrophobicContact CG1-CB 4.49Å; I159-I175 HydrophobicContact CD1-CD1 3.53Å; I159-I175 HydrophobicContact CD1-CG1 3.52Å; I159-V186 HydrophobicContact CD1-CG1 3.79Å; I159-V186 HydrophobicContact CD1-CG2 3.96Å; I159-V186 HydrophobicContact CG1-CG1 3.59Å; I159-V186 HydrophobicContact CG1-CG2 4.47Å; I159-F188 HydrophobicContact CG1-CE1 4.3Å; I159-F188 HydrophobicContact CG1-CZ 4.42Å |
| 160 | K | 94.6 | Very high | 91.1 | Very high | 152 Ų | 152 | 69.8 Ų | 69.8 | 66% | 0.661 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 175.9 | -177.2 | -176.6 | 175.5 | -173.8 | 0 | 111.4 | L156 Y157 A158 K163 F164 | L156-K160 WeakPolarHBondContact O-CB 3.47Å; L156-K160 PolarHBondContact O-N 3.1Å; Y157-K160 WeakPolarHBondContact O-CB 3.42Å; Y157-K160 PolarHBondContact O-N 2.97Å; Y157-K160 VanDerWaalsContact O-N 3.09Å; A158-K160 PolarHBondContact O-N 3.35Å; K160-K163 PolarHBondContact O-N 3.02Å; K160-F164 PolarHBondContact O-N 3.22Å |
| 161 | V | 93.6 | Very high | 90.6 | Very high | 31 Ų | 31 | 72.2 Ų | 72.2 | 19% | 0.188 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -68.3 | -45.4 | 176.6 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | F108 L116 Y157 A158 K163 F164 M165 | F108-V161 HydrophobicContact CE2-CG1 4.46Å; L116-V161 HydrophobicContact CD1-CB 3.6Å; L116-V161 HydrophobicContact CD1-CG1 3.94Å; L116-V161 HydrophobicContact CD1-CG2 3.57Å; Y157-V161 HydrophobicContact CD2-CG2 4.42Å; Y157-V161 HydrophobicContact CE2-CG2 4.02Å; Y157-V161 PolarHBondContact O-N 3.48Å; A158-V161 PolarHBondContact O-N 2.99Å; V161-K163 VanDerWaalsContact C-N 3.31Å; V161-K163 PolarHBondContact O-N 3.18Å; V161-F164 WeakPolarHBondContact O-CB 3.4Å; V161-F164 PolarHBondContact O-N 3.34Å; V161-M165 HydrophobicContact CG1-CG 4.34Å; V161-M165 HydrophobicContact CG1-SD 3.77Å; V161-M165 PolarHBondContact O-N 3.19Å |
| 162 | F | 93.1 | Very high | 90.3 | Very high | 15 Ų | 15 | 79 Ų | 79 | 7% | 0.066 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -53.7 | -48 | 172.2 | 178.6 | -101.8 | 0 | 0 | 0 | 111.6 | F108 A158 F164 M165 R166 A173 F188 | F108-F162 HydrophobicContact CB-CD2 3.94Å; F108-F162 HydrophobicContact CB-CE2 4.27Å; F108-F162 AromaticContact CD1-CD2 3.66Å; F108-F162 HydrophobicContact CD1-CD2 3.66Å; F108-F162 HydrophobicContact CD1-CE2 4.21Å; F108-F162 HydrophobicContact CD2-CB 4.23Å; F108-F162 AromaticContact CD2-CD2 4Å; F108-F162 HydrophobicContact CD2-CD2 4Å; F108-F162 HydrophobicContact CE1-CD2 4.01Å; F108-F162 HydrophobicContact CE2-CB 3.97Å; F108-F162 HydrophobicContact CE2-CD2 4.33Å; F108-F162 AromaticContact CG-CD2 3.62Å; F108-F162 HydrophobicContact CG-CD2 3.62Å; F108-F162 HydrophobicContact CG-CE2 4.31Å; F108-F162 HydrophobicContact CZ-CB 4.18Å; F108-F162 HydrophobicContact CZ-CD2 4.32Å; A158-F162 WeakPolarHBondContact O-CB 3.36Å; A158-F162 PolarHBondContact O-N 3.16Å; F162-F164 PolarHBondContact O-N 3.45Å; F162-M165 PolarHBondContact O-N 3.18Å; F162-M165 VanDerWaalsContact O-N 3.16Å; F162-R166 HydrophobicContact CE1-CB 4.34Å; F162-R166 HydrophobicContact CZ-CB 4.31Å; F162-R166 VanDerWaalsContact O-CB 3.3Å; F162-R166 WeakPolarHBondContact O-CB 3.38Å; F162-R166 PolarHBondContact O-N 3.07Å; F162-A173 HydrophobicContact CD1-CB 3.78Å; F162-A173 HydrophobicContact CE1-CB 3.93Å; F162-F188 HydrophobicContact CB-CD1 3.85Å; F162-F188 HydrophobicContact CB-CE1 3.65Å; F162-F188 AromaticContact CD1-CD1 3.98Å; F162-F188 HydrophobicContact CD1-CD1 3.98Å; F162-F188 HydrophobicContact CD1-CE1 4.38Å; F162-F188 HydrophobicContact CD2-CB 4.41Å; F162-F188 AromaticContact CD2-CD1 3.55Å; F162-F188 HydrophobicContact CD2-CD1 3.55Å; F162-F188 HydrophobicContact CD2-CE1 4.24Å; F162-F188 HydrophobicContact CD2-CG 4.36Å; F162-F188 HydrophobicContact CE1-CD1 4.44Å; F162-F188 HydrophobicContact CE2-CB 4.2Å; F162-F188 HydrophobicContact CE2-CD1 4.05Å; F162-F188 AromaticContact CG-CD1 3.51Å; F162-F188 HydrophobicContact CG-CD1 3.51Å; F162-F188 AromaticContact CG-CE1 3.85Å; F162-F188 HydrophobicContact CG-CE1 3.85Å; F162-F188 HydrophobicContact CZ-CD1 4.47Å |
| 163 | K | 91.7 | Very high | 90.2 | Very high | 144 Ų | 144 | 76.3 Ų | 76.3 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.6 | -28.4 | 177.7 | 179 | 172.3 | 178.7 | 179.8 | 0 | 113.4 | I159 K160 V161 | I159-K163 VanDerWaalsContact O-CB 3.29Å; I159-K163 WeakPolarHBondContact O-CB 3.24Å; I159-K163 PolarHBondContact O-N 2.87Å; K160-K163 PolarHBondContact O-N 3.02Å; V161-K163 VanDerWaalsContact C-N 3.31Å; V161-K163 PolarHBondContact O-N 3.18Å |
| 164 | F | 90.7 | Very high | 90.1 | Very high | 184 Ų | 184 | 79.9 Ų | 79.9 | 81% | 0.807 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -80.8 | -33.7 | 176.7 | -178.6 | -97.2 | 0 | 0 | 0 | 112.8 | K160 V161 F162 | K160-F164 PolarHBondContact O-N 3.22Å; V161-F164 WeakPolarHBondContact O-CB 3.4Å; V161-F164 PolarHBondContact O-N 3.34Å; F162-F164 PolarHBondContact O-N 3.45Å |
| 165 | M | 89.4 | Confident | 90.1 | Very high | 33 Ų | 33 | 82.5 Ų | 82.5 | 16% | 0.163 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -90.9 | -23.2 | -176.4 | -66.2 | -177.5 | 68.8 | 0 | 0 | 114.6 | V107 F108 V112 V161 F162 | V107-M165 WeakPolarHBondContact O-CE 3.38Å; F108-M165 HydrophobicContact CD2-SD 4.21Å; V112-M165 HydrophobicContact CG1-CE 4.08Å; V112-M165 HydrophobicContact CG1-SD 3.72Å; V112-M165 HydrophobicContact CG2-CE 4.2Å; V161-M165 HydrophobicContact CG1-CG 4.34Å; V161-M165 HydrophobicContact CG1-SD 3.77Å; V161-M165 PolarHBondContact O-N 3.19Å; F162-M165 PolarHBondContact O-N 3.18Å; F162-M165 VanDerWaalsContact O-N 3.16Å |
| 166 | R | 85.4 | Confident | 90 | Very high | 43 Ų | 43 | 86.6 Ų | 86.6 | 16% | 0.162 | 43% | 0.43 | C | S | . | . | S | Bend | trans | -63.2 | 145.9 | -179.1 | 135.6 | 172.2 | 76 | 139 | 7.9 | 112.3 | F162 E170 P171 H172 | F162-R166 HydrophobicContact CE1-CB 4.34Å; F162-R166 HydrophobicContact CZ-CB 4.31Å; F162-R166 VanDerWaalsContact O-CB 3.3Å; F162-R166 WeakPolarHBondContact O-CB 3.38Å; F162-R166 PolarHBondContact O-N 3.07Å; R166-E170 WeakPolarHBondContact CA-OE2 3.47Å; R166-E170 WeakPolarHBondContact CB-OE2 3.3Å; R166-E170 WeakPolarHBondContact CD-O 3.47Å; R166-E170 HydrophobicContact CG-CB 3.92Å; R166-E170 PolarHBondContact NH1-O 2.61Å; R166-P171 PolarHBondContact NH1-O 2.97Å; R166-H172 PolarHBondContact NH1-CD2 2.9Å; R166-H172 VanDerWaalsContact NH1-CD2 3.26Å; R166-H172 PolarHBondContact NH1-CE1 2.96Å; R166-H172 PolarHBondContact NH1-ND1 3.24Å; R166-H172 PolarHBondContact NH1-NE2 2.84Å; R166-H172 VanDerWaalsContact NH1-NE2 3.19Å; R166-H172 PolarHBondContact NH2-CD2 3.06Å; R166-H172 PolarHBondContact NH2-NE2 3.44Å; R166-H172 VanDerWaalsContact NH2-NE2 3.16Å |
| 167 | K | 81.8 | Confident | 89.9 | Confident | 99 Ų | 99 | 83 Ų | 83 | 43% | 0.43 | 42% | 0.419 | S | S | . | . | trans | -82.2 | 152.4 | 175.6 | -64.2 | -172.5 | 174.9 | -166.1 | 0 | 112.6 | E106 G169 E170 | E106-K167 WeakPolarHBondContact O-CE 3.42Å; E106-K167 WeakPolarHBondContact OE2-CE 3.47Å; E106-K167 IonicContact OE2-NZ 2.62Å; E106-K167 PolarHBondContact OE2-NZ 3.26Å; K167-G169 PolarHBondContact O-N 3.31Å; K167-E170 PolarHBondContact N-OE2 3.04Å; K167-E170 PolarHBondContact O-N 2.69Å | ||
| 168 | H | 77.9 | Confident | 89.6 | Confident | 209 Ų | 209 | 86.8 Ų | 86.8 | 97% | 0.968 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 114.7 | 174.7 | -75.5 | -77.1 | 0 | 0 | 0 | 110.6 | ||
| 169 | G | 77.5 | Confident | 89.3 | Confident | 82 Ų | 82 | 94 Ų | 94 | 85% | 0.845 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 117.4 | -18.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K167 | K167-G169 PolarHBondContact O-N 3.31Š|
| 170 | E | 82.8 | Confident | 89.2 | Confident | 87 Ų | 87 | 94.6 Ų | 94.6 | 41% | 0.407 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 146.5 | 176.7 | -66.3 | 174.3 | 151 | 0 | 0 | 112 | R166 K167 | R166-E170 WeakPolarHBondContact CA-OE2 3.47Å; R166-E170 WeakPolarHBondContact CB-OE2 3.3Å; R166-E170 WeakPolarHBondContact CD-O 3.47Å; R166-E170 HydrophobicContact CG-CB 3.92Å; R166-E170 PolarHBondContact NH1-O 2.61Å; K167-E170 PolarHBondContact N-OE2 3.04Å; K167-E170 PolarHBondContact O-N 2.69Å |
| 171 | P | 84.9 | Confident | 89 | Confident | 100 Ų | 100 | 92.2 Ų | 92.2 | 65% | 0.649 | 48% | 0.476 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 159.1 | 179.8 | 24.1 | -33.8 | 0 | 0 | 0 | 112.5 | R166 | R166-P171 PolarHBondContact NH1-O 2.97Š|
| 172 | H | 88.7 | Confident | 88.9 | Confident | 143 Ų | 143 | 94.6 Ų | 94.6 | 66% | 0.662 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 140.7 | 173.7 | -74.2 | 75 | 0 | 0 | 0 | 109.7 | R166 K174 | R166-H172 PolarHBondContact NH1-CD2 2.9Å; R166-H172 VanDerWaalsContact NH1-CD2 3.26Å; R166-H172 PolarHBondContact NH1-CE1 2.96Å; R166-H172 PolarHBondContact NH1-ND1 3.24Å; R166-H172 PolarHBondContact NH1-NE2 2.84Å; R166-H172 VanDerWaalsContact NH1-NE2 3.19Å; R166-H172 PolarHBondContact NH2-CD2 3.06Å; R166-H172 PolarHBondContact NH2-NE2 3.44Å; R166-H172 VanDerWaalsContact NH2-NE2 3.16Å; H172-K174 PolarHBondContact O-N 2.82Å |
| 173 | A | 92.4 | Very high | 89 | Confident | 21 Ų | 21 | 97.9 Ų | 97.9 | 17% | 0.174 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 131.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | I159 F162 V186 D187 F188 | I159-A173 HydrophobicContact CG1-CB 4.49Å; F162-A173 HydrophobicContact CD1-CB 3.78Å; F162-A173 HydrophobicContact CE1-CB 3.93Å; A173-V186 HydrophobicContact CB-CG1 4.37Å; A173-D187 CarbonylContact C-O 3.55Å; A173-D187 WeakPolarHBondContact CA-O 3.42Å; A173-D187 WeakPolarHBondContact CB-O 3.4Å; A173-F188 HydrophobicContact CB-CD1 3.82Å; A173-F188 HydrophobicContact CB-CE1 4Å |
| 174 | K | 93.8 | Very high | 89.2 | Confident | 125 Ų | 125 | 91.6 Ų | 91.6 | 54% | 0.543 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 143.1 | -179.9 | -154.5 | -172.4 | -173.5 | -151 | 0 | 109.1 | H172 E176 V186 D187 | H172-K174 PolarHBondContact O-N 2.82Å; K174-E176 VanDerWaalsContact CD-OE1 3.26Å; K174-E176 WeakPolarHBondContact CD-OE1 3.23Å; K174-E176 WeakPolarHBondContact CE-OE1 3.25Å; K174-E176 IonicContact NZ-OE1 2.71Å; K174-E176 PolarHBondContact NZ-OE1 3.17Å; K174-V186 WeakPolarHBondContact O-CA 3.46Å; K174-D187 HydrophobicContact CB-CB 4.14Å; K174-D187 PolarHBondContact N-O 3.38Å; K174-D187 PolarHBondContact O-N 3.23Å |
| 175 | I | 95.4 | Very high | 89.5 | Confident | 56 Ų | 56 | 84 Ų | 84 | 29% | 0.287 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 122.1 | 175.9 | -49.8 | 170.4 | 0 | 0 | 0 | 107.6 | I159 K178 M184 | I159-I175 HydrophobicContact CD1-CD1 3.53Å; I159-I175 HydrophobicContact CD1-CG1 3.52Å; I175-K178 HydrophobicContact CG2-CB 4.38Å; I175-M184 HydrophobicContact CG2-CG 4.14Å; I175-M184 HydrophobicContact CG2-SD 4.06Å |
| 176 | E | 94.8 | Very high | 89.8 | Confident | 87 Ų | 87 | 82.5 Ų | 82.5 | 41% | 0.407 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 155.5 | 167.2 | -52.2 | -63.2 | 167.9 | 0 | 0 | 110 | K174 K178 M184 C185 | K174-E176 VanDerWaalsContact CD-OE1 3.26Å; K174-E176 WeakPolarHBondContact CD-OE1 3.23Å; K174-E176 WeakPolarHBondContact CE-OE1 3.25Å; K174-E176 IonicContact NZ-OE1 2.71Å; K174-E176 PolarHBondContact NZ-OE1 3.17Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 3.37Å; E176-M184 WeakPolarHBondContact O-CG 3.39Å; E176-C185 PolarHBondContact N-O 2.9Å; E176-C185 PolarHBondContact O-N 3.49Å; E176-C185 VanDerWaalsContact O-N 3.15Å |
| 177 | G | 92.6 | Very high | 90.3 | Very high | 32 Ų | 32 | 83.3 Ų | 83.3 | 33% | 0.33 | 44% | 0.443 | S | S | . | . | trans | 69.9 | 24.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D179 A180 | G177-D179 PolarHBondContact O-N 3.35Å; G177-A180 WeakPolarHBondContact O-CB 3.31Å; G177-A180 PolarHBondContact O-N 3.36Å | ||
| 178 | K | 89.4 | Confident | 90.8 | Very high | 148 Ų | 148 | 79.5 Ų | 79.5 | 64% | 0.643 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -36.2 | 179.9 | -173.4 | -175.9 | 172.6 | -166.4 | 0 | 113.6 | I175 E176 | I175-K178 HydrophobicContact CG2-CB 4.38Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 3.37Å |
| 179 | D | 90.4 | Very high | 91.4 | Very high | 152 Ų | 152 | 71.8 Ų | 71.8 | 81% | 0.813 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -6.7 | -178.9 | -55.3 | -40.8 | 0 | 0 | 0 | 112.8 | G177 | G177-D179 PolarHBondContact O-N 3.35Š|
| 180 | A | 91.4 | Very high | 92.1 | Very high | 43 Ų | 43 | 74.8 Ų | 74.8 | 36% | 0.355 | 39% | 0.393 | S | S | . | . | trans | -81 | 149 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G177 W183 | G177-A180 WeakPolarHBondContact O-CB 3.31Å; G177-A180 PolarHBondContact O-N 3.36Å; A180-W183 WeakPolarHBondContact CB-O 3.18Å | ||
| 181 | E | 90.6 | Very high | 92.6 | Very high | 102 Ų | 102 | 71.1 Ų | 71.1 | 48% | 0.477 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -96.9 | -34.9 | -177.8 | -56.3 | -131.5 | 109.9 | 0 | 0 | 111.9 | P148 R152 | P148-E181 HydrophobicContact CB-CB 3.99Å; P148-E181 VanDerWaalsContact CB-O 3.23Å; P148-E181 WeakPolarHBondContact CB-O 3.3Å; P148-E181 HydrophobicContact CG-CB 4.1Å; R152-E181 IonicContact CZ-OE1 2.73Å; R152-E181 IonicContact NH1-OE1 3.15Å; R152-E181 PolarHBondContact NH1-OE1 2.88Å; R152-E181 VanDerWaalsContact NH1-OE1 3.15Å; R152-E181 IonicContact NH2-OE1 2.96Å; R152-E181 PolarHBondContact NH2-OE1 2.85Å |
| 182 | D | 92.4 | Very high | 93.1 | Very high | 82 Ų | 82 | 66.5 Ų | 66.5 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -95.8 | -26 | -166 | -43.4 | -50.6 | 0 | 0 | 0 | 113.2 | M196 L197 | D182-M196 CarbonylContact O-C 3.54Å; D182-M196 WeakPolarHBondContact O-CA 3.3Å; D182-M196 WeakPolarHBondContact O-CB 3.43Å; D182-L197 HydrophobicContact CB-CD1 4.03Å; D182-L197 PolarHBondContact O-N 2.86Å; D182-L197 WeakPolarHBondContact OD1-CD1 3.23Å |
| 183 | W | 95.3 | Very high | 93.6 | Very high | 84 Ų | 84 | 59.7 Ų | 59.7 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 128.4 | -179.9 | -173 | 19.6 | 0 | 0 | 0 | 111.8 | A180 H194 M196 T200 Y204 L206 | A180-W183 WeakPolarHBondContact CB-O 3.18Å; W183-H194 AromaticContact CE2-ND1 3.8Å; W183-H194 AromaticContact CZ2-ND1 3.64Å; W183-H194 AromaticContact NE1-CG 3.91Å; W183-H194 AromaticContact NE1-ND1 3.37Å; W183-H194 PolarHBondContact NE1-ND1 3.09Å; W183-M196 HydrophobicContact CB-CB 4.37Å; W183-M196 HydrophobicContact CG-CB 4.35Å; W183-T200 HydrophobicContact CB-CG2 4.36Å; W183-Y204 HydrophobicContact CZ3-CD1 4.49Å; W183-Y204 HydrophobicContact CZ3-CE1 4.34Å; W183-L206 HydrophobicContact CZ2-CD1 3.88Å |
| 184 | M | 96 | Very high | 93.8 | Very high | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.059 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 143.7 | 171.6 | 179.9 | 168.8 | -62.2 | 0 | 0 | 108.6 | I151 R152 A155 I175 E176 F195 | I151-M184 HydrophobicContact CG2-CB 4.33Å; R152-M184 HydrophobicContact CG-CE 3.64Å; A155-M184 HydrophobicContact CB-SD 3.72Å; I175-M184 HydrophobicContact CG2-CG 4.14Å; I175-M184 HydrophobicContact CG2-SD 4.06Å; E176-M184 WeakPolarHBondContact O-CG 3.39Å; M184-F195 PolarHBondContact N-O 2.99Å; M184-F195 PolarHBondContact O-N 3.37Å; M184-F195 VanDerWaalsContact O-O 3.06Å |
| 185 | C | 95.9 | Very high | 93.9 | Very high | 25 Ų | 25 | 53.4 Ų | 53.4 | 17% | 0.169 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 147.6 | 167.1 | 87.4 | 0 | 0 | 0 | 0 | 111.9 | E176 V193 H194 | E176-C185 PolarHBondContact N-O 2.9Å; E176-C185 PolarHBondContact O-N 3.49Å; E176-C185 VanDerWaalsContact O-N 3.15Å; C185-V193 CarbonylContact C-O 3.58Å; C185-V193 VanDerWaalsContact CA-O 3.3Å; C185-V193 WeakPolarHBondContact CA-O 3.31Å; C185-H194 WeakPolarHBondContact CB-ND1 3.49Å |
| 186 | V | 96.7 | Very high | 94 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 123.3 | 178.7 | -175 | 0 | 0 | 0 | 0 | 108.4 | A155 I159 A173 K174 F188 V193 F195 | A155-V186 HydrophobicContact CB-CG2 4.04Å; I159-V186 HydrophobicContact CD1-CG1 3.79Å; I159-V186 HydrophobicContact CD1-CG2 3.96Å; I159-V186 HydrophobicContact CG1-CG1 3.59Å; I159-V186 HydrophobicContact CG1-CG2 4.47Å; A173-V186 HydrophobicContact CB-CG1 4.37Å; K174-V186 WeakPolarHBondContact O-CA 3.46Å; V186-F188 HydrophobicContact CB-CE2 4.1Å; V186-F188 HydrophobicContact CB-CZ 4.2Å; V186-F188 HydrophobicContact CG1-CD1 4.42Å; V186-F188 HydrophobicContact CG1-CD2 4.31Å; V186-F188 HydrophobicContact CG1-CE1 3.8Å; V186-F188 HydrophobicContact CG1-CE2 3.66Å; V186-F188 HydrophobicContact CG1-CZ 3.39Å; V186-V193 PolarHBondContact N-O 3.36Å; V186-V193 PolarHBondContact O-N 2.96Å; V186-F195 HydrophobicContact CB-CE2 4.19Å; V186-F195 HydrophobicContact CG2-CD2 4.18Å; V186-F195 HydrophobicContact CG2-CE2 3.76Å |
| 187 | D | 95.3 | Very high | 94.1 | Very high | 60 Ų | 60 | 47.7 Ų | 47.7 | 32% | 0.321 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 122.9 | 179.5 | 178.7 | 12.7 | 0 | 0 | 0 | 109.9 | A173 K174 G189 V192 | A173-D187 CarbonylContact C-O 3.55Å; A173-D187 WeakPolarHBondContact CA-O 3.42Å; A173-D187 WeakPolarHBondContact CB-O 3.4Å; K174-D187 HydrophobicContact CB-CB 4.14Å; K174-D187 PolarHBondContact N-O 3.38Å; K174-D187 PolarHBondContact O-N 3.23Å; D187-G189 WeakPolarHBondContact OD1-CA 3.08Å; D187-G189 PolarHBondContact OD1-N 2.93Å; D187-V192 HydrophobicContact CB-CG2 4.49Å |
| 188 | F | 93.3 | Very high | 94.3 | Very high | 20 Ų | 20 | 49 Ų | 49 | 9% | 0.088 | 26% | 0.259 | C | S | . | . | trans | -107.6 | 15.3 | 175.5 | -56.2 | -78.5 | 0 | 0 | 0 | 112.3 | F108 A158 I159 F162 A173 V186 K190 M191 V193 | F108-F188 HydrophobicContact CE1-CB 4.3Å; F108-F188 AromaticContact CE1-CD1 3.95Å; F108-F188 HydrophobicContact CE1-CD1 3.95Å; F108-F188 HydrophobicContact CE1-CD2 4.14Å; F108-F188 HydrophobicContact CE1-CE1 4.26Å; F108-F188 HydrophobicContact CE1-CE2 4.44Å; F108-F188 AromaticContact CE1-CG 3.87Å; F108-F188 HydrophobicContact CE1-CG 3.87Å; F108-F188 HydrophobicContact CE1-CZ 4.48Å; F108-F188 HydrophobicContact CZ-CD1 4.3Å; F108-F188 HydrophobicContact CZ-CE1 4.16Å; F108-F188 HydrophobicContact CZ-CZ 4.3Å; A158-F188 HydrophobicContact CB-CZ 4.05Å; I159-F188 HydrophobicContact CG1-CE1 4.3Å; I159-F188 HydrophobicContact CG1-CZ 4.42Å; F162-F188 HydrophobicContact CB-CD1 3.85Å; F162-F188 HydrophobicContact CB-CE1 3.65Å; F162-F188 AromaticContact CD1-CD1 3.98Å; F162-F188 HydrophobicContact CD1-CD1 3.98Å; F162-F188 HydrophobicContact CD1-CE1 4.38Å; F162-F188 HydrophobicContact CD2-CB 4.41Å; F162-F188 AromaticContact CD2-CD1 3.55Å; F162-F188 HydrophobicContact CD2-CD1 3.55Å; F162-F188 HydrophobicContact CD2-CE1 4.24Å; F162-F188 HydrophobicContact CD2-CG 4.36Å; F162-F188 HydrophobicContact CE1-CD1 4.44Å; F162-F188 HydrophobicContact CE2-CB 4.2Å; F162-F188 HydrophobicContact CE2-CD1 4.05Å; F162-F188 AromaticContact CG-CD1 3.51Å; F162-F188 HydrophobicContact CG-CD1 3.51Å; F162-F188 AromaticContact CG-CE1 3.85Å; F162-F188 HydrophobicContact CG-CE1 3.85Å; F162-F188 HydrophobicContact CZ-CD1 4.47Å; A173-F188 HydrophobicContact CB-CD1 3.82Å; A173-F188 HydrophobicContact CB-CE1 4Å; V186-F188 HydrophobicContact CB-CE2 4.1Å; V186-F188 HydrophobicContact CB-CZ 4.2Å; V186-F188 HydrophobicContact CG1-CD1 4.42Å; V186-F188 HydrophobicContact CG1-CD2 4.31Å; V186-F188 HydrophobicContact CG1-CE1 3.8Å; V186-F188 HydrophobicContact CG1-CE2 3.66Å; V186-F188 HydrophobicContact CG1-CZ 3.39Å; F188-K190 VanDerWaalsContact C-N 3.34Å; F188-K190 PolarHBondContact O-N 3.04Å; F188-K190 VanDerWaalsContact O-N 3.1Å; F188-M191 WeakPolarHBondContact CB-O 3.42Å; F188-M191 PolarHBondContact N-O 3.41Å; F188-V193 HydrophobicContact CD2-CG2 4Å; F188-V193 HydrophobicContact CE2-CB 4.34Å; F188-V193 HydrophobicContact CE2-CG2 3.62Å | ||
| 189 | G | 90.6 | Very high | 94.6 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | S | Bend | trans | 84 | -62.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D187 | D187-G189 WeakPolarHBondContact OD1-CA 3.08Å; D187-G189 PolarHBondContact OD1-N 2.93Å |
| 190 | K | 90.5 | Very high | 94.8 | Very high | 145 Ų | 145 | 42.8 Ų | 42.8 | 63% | 0.63 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -85.8 | -18.9 | 175.2 | -71.4 | -170.2 | 169.9 | -157.7 | 0 | 113.7 | D138 Y139 F188 | D138-K190 WeakPolarHBondContact CB-O 3.41Å; D138-K190 PolarHBondContact N-O 3.37Å; D138-K190 WeakPolarHBondContact OD2-CD 3.38Å; Y139-K190 PolarHBondContact N-O 3.03Å; F188-K190 VanDerWaalsContact C-N 3.34Å; F188-K190 PolarHBondContact O-N 3.04Å; F188-K190 VanDerWaalsContact O-N 3.1Å |
| 191 | M | 94.5 | Very high | 95 | Very high | 10 Ų | 10 | 41.6 Ų | 41.6 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 129.5 | -171 | -55.4 | -171.2 | 76.7 | 0 | 0 | 109.1 | L110 L113 Y139 I141 F188 | L110-M191 HydrophobicContact CB-CE 3.6Å; L110-M191 HydrophobicContact CB-SD 4.31Å; L110-M191 HydrophobicContact CD1-CE 3.45Å; L110-M191 VanDerWaalsContact CD1-CE 3.45Å; L110-M191 HydrophobicContact CG-CE 4.06Å; L113-M191 HydrophobicContact CD2-CE 4.16Å; L113-M191 HydrophobicContact CD2-SD 4.32Å; Y139-M191 HydrophobicContact CD2-CE 3.95Å; Y139-M191 HydrophobicContact CD2-CG 4.27Å; Y139-M191 HydrophobicContact CG-CE 3.97Å; Y139-M191 WeakPolarHBondContact O-CA 3.45Å; I141-M191 HydrophobicContact CD1-CE 3.56Å; I141-M191 HydrophobicContact CG1-CE 4.49Å; F188-M191 WeakPolarHBondContact CB-O 3.42Å; F188-M191 PolarHBondContact N-O 3.41Å |
| 192 | V | 96.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 131.3 | 175.5 | -179 | 0 | 0 | 0 | 0 | 108.7 | Y136 A137 Y139 I141 D187 | Y136-V192 HydrophobicContact CE1-CB 4.38Å; Y136-V192 HydrophobicContact CE1-CG2 4.07Å; A137-V192 HydrophobicContact CB-CG2 3.95Å; Y139-V192 PolarHBondContact O-N 3.05Å; I141-V192 PolarHBondContact N-O 2.96Å; D187-V192 HydrophobicContact CB-CG2 4.49Å |
| 193 | V | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 118.3 | 179.3 | -169.9 | 0 | 0 | 0 | 0 | 109.4 | L113 I141 V143 C185 V186 F188 F195 | L113-V193 HydrophobicContact CD1-CG2 4.41Å; L113-V193 HydrophobicContact CD2-CG2 3.69Å; I141-V193 HydrophobicContact CB-CG1 4.32Å; I141-V193 HydrophobicContact CB-CG2 4.21Å; I141-V193 HydrophobicContact CD1-CG2 4.23Å; I141-V193 HydrophobicContact CG2-CG1 4.21Å; I141-V193 WeakPolarHBondContact O-CA 3.49Å; V143-V193 HydrophobicContact CG2-CG1 3.49Å; V143-V193 VanDerWaalsContact CG2-CG1 3.49Å; C185-V193 CarbonylContact C-O 3.58Å; C185-V193 VanDerWaalsContact CA-O 3.3Å; C185-V193 WeakPolarHBondContact CA-O 3.31Å; V186-V193 PolarHBondContact N-O 3.36Å; V186-V193 PolarHBondContact O-N 2.96Å; F188-V193 HydrophobicContact CD2-CG2 4Å; F188-V193 HydrophobicContact CE2-CB 4.34Å; F188-V193 HydrophobicContact CE2-CG2 3.62Å; V193-F195 HydrophobicContact CB-CD2 4.37Å; V193-F195 HydrophobicContact CB-CE2 3.79Å; V193-F195 HydrophobicContact CB-CZ 4.25Å; V193-F195 HydrophobicContact CG1-CD1 4.48Å; V193-F195 HydrophobicContact CG1-CD2 3.87Å; V193-F195 HydrophobicContact CG1-CE1 4.09Å; V193-F195 HydrophobicContact CG1-CE2 3.4Å; V193-F195 VanDerWaalsContact CG1-CE2 3.4Å; V193-F195 HydrophobicContact CG1-CG 4.38Å; V193-F195 HydrophobicContact CG1-CZ 3.54Å |
| 194 | H | 97.2 | Very high | 95.1 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 6% | 0.06 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 116.3 | 169.6 | -61.9 | -86.6 | 0 | 0 | 0 | 108.7 | I141 V143 W183 C185 | I141-H194 PolarHBondContact O-N 2.92Å; V143-H194 PolarHBondContact N-O 3.32Å; W183-H194 AromaticContact CE2-ND1 3.8Å; W183-H194 AromaticContact CZ2-ND1 3.64Å; W183-H194 AromaticContact NE1-CG 3.91Å; W183-H194 AromaticContact NE1-ND1 3.37Å; W183-H194 PolarHBondContact NE1-ND1 3.09Å; C185-H194 WeakPolarHBondContact CB-ND1 3.49Å |
| 195 | F | 97.1 | Very high | 95 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 120.1 | 171.6 | -58.3 | -98.4 | 0 | 0 | 0 | 108.5 | L117 V143 I151 M154 A155 A158 M184 V186 V193 | L117-F195 HydrophobicContact CD2-CE1 3.55Å; L117-F195 HydrophobicContact CD2-CZ 4.01Å; V143-F195 HydrophobicContact CB-CD1 3.96Å; V143-F195 HydrophobicContact CB-CE1 4.42Å; V143-F195 HydrophobicContact CG1-CD1 4.1Å; V143-F195 HydrophobicContact CG1-CE1 4.41Å; V143-F195 HydrophobicContact CG2-CD1 4.3Å; V143-F195 HydrophobicContact CG2-CE1 4.34Å; V143-F195 WeakPolarHBondContact O-CA 3.33Å; I151-F195 HydrophobicContact CB-CB 4.47Å; I151-F195 HydrophobicContact CG2-CB 3.56Å; M154-F195 HydrophobicContact CB-CD1 4.28Å; M154-F195 HydrophobicContact CB-CE1 3.91Å; M154-F195 HydrophobicContact CE-CE1 4.4Å; A155-F195 HydrophobicContact CB-CD2 3.92Å; A155-F195 HydrophobicContact CB-CE1 4.44Å; A155-F195 HydrophobicContact CB-CE2 3.77Å; A155-F195 HydrophobicContact CB-CG 4.34Å; A155-F195 HydrophobicContact CB-CZ 4.04Å; A158-F195 HydrophobicContact CB-CZ 4.49Å; M184-F195 PolarHBondContact N-O 2.99Å; M184-F195 PolarHBondContact O-N 3.37Å; M184-F195 VanDerWaalsContact O-O 3.06Å; V186-F195 HydrophobicContact CB-CE2 4.19Å; V186-F195 HydrophobicContact CG2-CD2 4.18Å; V186-F195 HydrophobicContact CG2-CE2 3.76Å; V193-F195 HydrophobicContact CB-CD2 4.37Å; V193-F195 HydrophobicContact CB-CE2 3.79Å; V193-F195 HydrophobicContact CB-CZ 4.25Å; V193-F195 HydrophobicContact CG1-CD1 4.48Å; V193-F195 HydrophobicContact CG1-CD2 3.87Å; V193-F195 HydrophobicContact CG1-CE1 4.09Å; V193-F195 HydrophobicContact CG1-CE2 3.4Å; V193-F195 VanDerWaalsContact CG1-CE2 3.4Å; V193-F195 HydrophobicContact CG1-CG 4.38Å; V193-F195 HydrophobicContact CG1-CZ 3.54Å |
| 196 | M | 96.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 165.4 | -180 | 54.6 | 178.3 | 165.1 | 0 | 0 | 113.3 | V142 V143 S144 G145 I151 D182 W183 T200 R201 L206 | V142-M196 HydrophobicContact CG1-CE 3.29Å; V143-M196 PolarHBondContact O-N 3.05Å; S144-M196 VanDerWaalsContact CA-O 3.31Å; S144-M196 WeakPolarHBondContact CA-O 3.41Å; G145-M196 PolarHBondContact N-O 3.33Å; I151-M196 VanDerWaalsContact CD1-C 3.41Å; I151-M196 WeakPolarHBondContact CD1-O 3.36Å; D182-M196 CarbonylContact O-C 3.54Å; D182-M196 WeakPolarHBondContact O-CA 3.3Å; D182-M196 WeakPolarHBondContact O-CB 3.43Å; W183-M196 HydrophobicContact CB-CB 4.37Å; W183-M196 HydrophobicContact CG-CB 4.35Å; M196-T200 HydrophobicContact CB-CG2 4.31Å; M196-T200 HydrophobicContact SD-CG2 4.31Å; M196-R201 HydrophobicContact CE-CB 3.7Å; M196-R201 HydrophobicContact CE-CG 3.6Å; M196-R201 HydrophobicContact CG-CB 4.18Å; M196-R201 HydrophobicContact SD-CB 3.88Å; M196-R201 HydrophobicContact SD-CG 4.45Å; M196-L206 HydrophobicContact CE-CB 4.45Å; M196-L206 HydrophobicContact CE-CD1 3.82Å; M196-L206 HydrophobicContact CE-CG 4.22Å; M196-L206 HydrophobicContact SD-CD1 4.4Å |
| 197 | L | 96.7 | Very high | 94.7 | Very high | 22 Ų | 22 | 52 Ų | 52 | 12% | 0.115 | 26% | 0.258 | C | S | . | . | trans | -69.7 | 155.4 | 169.9 | -67.8 | 176.6 | 0 | 0 | 0 | 110.9 | P148 I151 D182 E199 T200 R201 | P148-L197 HydrophobicContact CG-CD1 4.22Å; P148-L197 HydrophobicContact CG-CD2 4.49Å; I151-L197 HydrophobicContact CD1-CD2 3.71Å; I151-L197 HydrophobicContact CD1-CG 4Å; D182-L197 HydrophobicContact CB-CD1 4.03Å; D182-L197 PolarHBondContact O-N 2.86Å; D182-L197 WeakPolarHBondContact OD1-CD1 3.23Å; L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 3.24Å; L197-T200 PolarHBondContact O-N 3.26Å; L197-R201 PolarHBondContact O-N 3.19Å | ||
| 198 | P | 96.2 | Very high | 94.6 | Very high | 60 Ų | 60 | 53.1 Ų | 53.1 | 39% | 0.39 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 175.5 | 23.6 | -33.4 | 0 | 0 | 0 | 112.1 | T200 R201 E202 | P198-T200 PolarHBondContact O-N 3.16Å; P198-R201 WeakPolarHBondContact O-CB 3.41Å; P198-R201 PolarHBondContact O-N 3.21Å; P198-R201 VanDerWaalsContact O-N 3.09Å; P198-E202 PolarHBondContact O-N 2.97Å |
| 199 | E | 95.8 | Very high | 94.5 | Very high | 155 Ų | 155 | 55.1 Ų | 55.1 | 72% | 0.724 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57.9 | -47.7 | 177.1 | -61 | 175.9 | -170.6 | 0 | 0 | 111.5 | L197 R201 E202 E203 | L197-E199 VanDerWaalsContact C-N 3.3Å; L197-E199 PolarHBondContact O-N 3.24Å; E199-R201 VanDerWaalsContact C-N 3.31Å; E199-R201 PolarHBondContact O-N 3.14Å; E199-E202 PolarHBondContact O-N 3.24Å; E199-E203 PolarHBondContact O-N 3.06Å |
| 200 | T | 95.9 | Very high | 94.5 | Very high | 14 Ų | 14 | 55.6 Ų | 55.6 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -34.6 | 175.7 | -45.8 | 0 | 0 | 0 | 0 | 112.4 | W183 M196 L197 P198 E203 Y204 | W183-T200 HydrophobicContact CB-CG2 4.36Å; M196-T200 HydrophobicContact CB-CG2 4.31Å; M196-T200 HydrophobicContact SD-CG2 4.31Å; L197-T200 PolarHBondContact O-N 3.26Å; P198-T200 PolarHBondContact O-N 3.16Å; T200-E203 PolarHBondContact O-N 3.35Å; T200-Y204 HydrophobicContact CG2-CD2 3.6Å; T200-Y204 HydrophobicContact CG2-CE2 3.8Å; T200-Y204 WeakPolarHBondContact O-CD2 3.35Å; T200-Y204 PolarHBondContact O-N 3.28Å |
| 201 | R | 96 | Very high | 94.5 | Very high | 18 Ų | 18 | 53 Ų | 53 | 7% | 0.068 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.7 | -35.3 | 177.6 | -176.5 | 165.6 | -177.4 | -177.6 | -12.4 | 112.6 | D124 C126 V142 S144 M196 L197 P198 E199 E205 E207 | D124-R201 IonicContact OD1-NH2 3.86Å; D124-R201 IonicContact OD2-CZ 2.7Å; D124-R201 IonicContact OD2-NE 2.62Å; D124-R201 IonicContact OD2-NH1 3.99Å; D124-R201 PolarHBondContact OD2-NH1 3.21Å; D124-R201 IonicContact OD2-NH2 3.24Å; D124-R201 PolarHBondContact OD2-NH2 3.29Å; C126-R201 VanDerWaalsContact CB-NH2 3.34Å; V142-R201 HydrophobicContact CG1-CG 4.45Å; S144-R201 WeakPolarHBondContact OG-CD 3.15Å; S144-R201 PolarHBondContact OG-NH1 3.47Å; M196-R201 HydrophobicContact CE-CB 3.7Å; M196-R201 HydrophobicContact CE-CG 3.6Å; M196-R201 HydrophobicContact CG-CB 4.18Å; M196-R201 HydrophobicContact SD-CB 3.88Å; M196-R201 HydrophobicContact SD-CG 4.45Å; L197-R201 PolarHBondContact O-N 3.19Å; P198-R201 WeakPolarHBondContact O-CB 3.41Å; P198-R201 PolarHBondContact O-N 3.21Å; P198-R201 VanDerWaalsContact O-N 3.09Å; E199-R201 VanDerWaalsContact C-N 3.31Å; E199-R201 PolarHBondContact O-N 3.14Å; R201-E205 WeakPolarHBondContact O-CA 3.41Å; R201-E205 PolarHBondContact O-N 3.02Å; R201-E207 IonicContact CZ-OE1 3.98Å; R201-E207 IonicContact NE-OE1 2.61Å; R201-E207 PolarHBondContact NE-OE1 3.44Å; R201-E207 IonicContact NH2-OE1 2.69Å; R201-E207 PolarHBondContact NH2-OE1 3.09Å; R201-E207 IonicContact NH2-OE2 2.64Å |
| 202 | E | 94.1 | Very high | 94.2 | Very high | 149 Ų | 149 | 56.4 Ų | 56.4 | 70% | 0.696 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -72.8 | -31.5 | 173.1 | -69.2 | 177.1 | -163.5 | 0 | 0 | 112.5 | P198 E199 E205 | P198-E202 PolarHBondContact O-N 2.97Å; E199-E202 PolarHBondContact O-N 3.24Å; E202-E205 WeakPolarHBondContact O-CG 3.4Å |
| 203 | E | 93.1 | Very high | 93.6 | Very high | 133 Ų | 133 | 61.4 Ų | 61.4 | 62% | 0.621 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -72.2 | -49.9 | 176 | -176.6 | 175.6 | -164.8 | 0 | 0 | 112.5 | E199 T200 | E199-E203 PolarHBondContact O-N 3.06Å; T200-E203 PolarHBondContact O-N 3.35Å |
| 204 | Y | 92.8 | Very high | 92.9 | Very high | 111 Ų | 111 | 67.1 Ų | 67.1 | 44% | 0.435 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -89.5 | -14.4 | -173.2 | -74.7 | -85 | 0 | 0 | 0 | 114.7 | W183 T200 L206 | W183-Y204 HydrophobicContact CZ3-CD1 4.49Å; W183-Y204 HydrophobicContact CZ3-CE1 4.34Å; T200-Y204 HydrophobicContact CG2-CD2 3.6Å; T200-Y204 HydrophobicContact CG2-CE2 3.8Å; T200-Y204 WeakPolarHBondContact O-CD2 3.35Å; T200-Y204 PolarHBondContact O-N 3.28Å; Y204-L206 PolarHBondContact O-N 3.4Å |
| 205 | E | 93.6 | Very high | 92.3 | Very high | 52 Ų | 52 | 75.2 Ų | 75.2 | 24% | 0.243 | 36% | 0.358 | C | S | . | . | trans | 42 | 36.6 | 174.7 | -53.9 | -158.8 | 121.8 | 0 | 0 | 115.7 | R201 E202 E207 K208 L209 | R201-E205 WeakPolarHBondContact O-CA 3.41Å; R201-E205 PolarHBondContact O-N 3.02Å; E202-E205 WeakPolarHBondContact O-CG 3.4Å; E205-E207 PolarHBondContact O-N 3.01Å; E205-K208 HydrophobicContact CB-CD 4.17Å; E205-K208 HydrophobicContact CB-CG 4.38Å; E205-K208 WeakPolarHBondContact O-CB 3.45Å; E205-K208 PolarHBondContact O-N 3.03Å; E205-K208 WeakPolarHBondContact OE1-CE 3.49Å; E205-K208 IonicContact OE1-NZ 2.7Å; E205-K208 PolarHBondContact OE1-NZ 3.35Å; E205-K208 WeakPolarHBondContact OE2-CD 3.36Å; E205-K208 WeakPolarHBondContact OE2-CE 3.44Å; E205-K208 IonicContact OE2-NZ 3.12Å; E205-K208 PolarHBondContact OE2-NZ 3.4Å; E205-L209 PolarHBondContact O-N 2.99Å | ||
| 206 | L | 93.1 | Very high | 91.8 | Very high | 16 Ų | 16 | 75.7 Ų | 75.7 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -52.6 | -30 | -169.5 | -65.1 | -178.6 | 0 | 0 | 0 | 113.8 | W183 M196 Y204 K208 L209 W210 | W183-L206 HydrophobicContact CZ2-CD1 3.88Å; M196-L206 HydrophobicContact CE-CB 4.45Å; M196-L206 HydrophobicContact CE-CD1 3.82Å; M196-L206 HydrophobicContact CE-CG 4.22Å; M196-L206 HydrophobicContact SD-CD1 4.4Å; Y204-L206 PolarHBondContact O-N 3.4Å; L206-K208 VanDerWaalsContact C-N 3.34Å; L206-K208 PolarHBondContact O-N 3.43Å; L206-L209 HydrophobicContact CD2-CD2 4.17Å; L206-L209 WeakPolarHBondContact O-CB 3.18Å; L206-L209 PolarHBondContact O-N 2.88Å; L206-W210 PolarHBondContact O-N 3.11Å |
| 207 | E | 94.2 | Very high | 91.2 | Very high | 63 Ų | 63 | 80.7 Ų | 80.7 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 176.2 | -63.4 | 174.7 | -119 | 0 | 0 | 112.6 | C126 I128 V142 R201 E205 T211 | C126-E207 HydrophobicContact CB-CG 4.28Å; C126-E207 WeakPolarHBondContact CB-OE2 3.29Å; C126-E207 PolarHBondContact SG-OE2 2.95Å; I128-E207 HydrophobicContact CD1-CB 4.32Å; I128-E207 HydrophobicContact CD1-CG 4.26Å; V142-E207 HydrophobicContact CG2-CG 4.33Å; R201-E207 IonicContact CZ-OE1 3.98Å; R201-E207 IonicContact NE-OE1 2.61Å; R201-E207 PolarHBondContact NE-OE1 3.44Å; R201-E207 IonicContact NH2-OE1 2.69Å; R201-E207 PolarHBondContact NH2-OE1 3.09Å; R201-E207 IonicContact NH2-OE2 2.64Å; E205-E207 PolarHBondContact O-N 3.01Å; E207-T211 WeakPolarHBondContact O-CB 3.49Å; E207-T211 VanDerWaalsContact O-CG2 3.29Å; E207-T211 WeakPolarHBondContact O-CG2 3.35Å; E207-T211 PolarHBondContact O-N 3.01Å; E207-T211 PolarHBondContact O-OG1 2.94Å |
| 208 | K | 92.4 | Very high | 90.5 | Very high | 83 Ų | 83 | 83.5 Ų | 83.5 | 36% | 0.361 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.5 | -44.2 | 175.4 | -60.2 | -175.1 | -166 | 169.4 | 0 | 110.7 | E205 L206 W210 T211 L212 | E205-K208 HydrophobicContact CB-CD 4.17Å; E205-K208 HydrophobicContact CB-CG 4.38Å; E205-K208 WeakPolarHBondContact O-CB 3.45Å; E205-K208 PolarHBondContact O-N 3.03Å; E205-K208 WeakPolarHBondContact OE1-CE 3.49Å; E205-K208 IonicContact OE1-NZ 2.7Å; E205-K208 PolarHBondContact OE1-NZ 3.35Å; E205-K208 WeakPolarHBondContact OE2-CD 3.36Å; E205-K208 WeakPolarHBondContact OE2-CE 3.44Å; E205-K208 IonicContact OE2-NZ 3.12Å; E205-K208 PolarHBondContact OE2-NZ 3.4Å; L206-K208 VanDerWaalsContact C-N 3.34Å; L206-K208 PolarHBondContact O-N 3.43Å; K208-W210 VanDerWaalsContact C-N 3.31Å; K208-W210 PolarHBondContact O-N 3.24Å; K208-T211 PolarHBondContact O-N 3.11Å; K208-L212 HydrophobicContact CB-CD1 4.31Å; K208-L212 VanDerWaalsContact O-CB 3.32Å; K208-L212 WeakPolarHBondContact O-CB 3.41Å; K208-L212 PolarHBondContact O-N 3.39Å |
| 209 | L | 90.3 | Very high | 89.7 | Confident | 61 Ų | 61 | 83.7 Ų | 83.7 | 32% | 0.319 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -51.8 | -49.8 | 177.1 | -173.7 | 81.8 | 0 | 0 | 0 | 111.3 | E205 L206 R213 L219 | E205-L209 PolarHBondContact O-N 2.99Å; L206-L209 HydrophobicContact CD2-CD2 4.17Å; L206-L209 WeakPolarHBondContact O-CB 3.18Å; L206-L209 PolarHBondContact O-N 2.88Å; L209-R213 WeakPolarHBondContact O-CA 3.48Å; L209-R213 VanDerWaalsContact O-CG 3.3Å; L209-R213 WeakPolarHBondContact O-CG 3.26Å; L209-R213 PolarHBondContact O-N 2.99Å; L209-L219 HydrophobicContact CD1-CD1 3.75Å; L209-L219 HydrophobicContact CD1-CD2 3.76Å; L209-L219 HydrophobicContact CD1-CG 3.83Å |
| 210 | W | 91.3 | Very high | 89.1 | Confident | 56 Ų | 56 | 81.8 Ų | 81.8 | 21% | 0.212 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -82.5 | -25.9 | -175 | -73.9 | 101.7 | 0 | 0 | 0 | 114.6 | I128 I134 Y136 L140 L206 K208 | I128-W210 HydrophobicContact CD1-CB 4.06Å; I128-W210 HydrophobicContact CG2-CB 4.31Å; I134-W210 HydrophobicContact CG2-CZ3 4.48Å; Y136-W210 AromaticContact CD1-CH2 3.68Å; Y136-W210 HydrophobicContact CD1-CH2 3.68Å; Y136-W210 HydrophobicContact CD1-CZ2 4.26Å; Y136-W210 HydrophobicContact CD1-CZ3 4.33Å; Y136-W210 HydrophobicContact CE1-CH2 4.02Å; Y136-W210 HydrophobicContact CE1-CZ2 4.13Å; Y136-W210 HydrophobicContact CG-CH2 4.11Å; L140-W210 HydrophobicContact CD1-CD2 3.75Å; L140-W210 HydrophobicContact CD1-CE3 4.45Å; L140-W210 HydrophobicContact CD1-CG 3.97Å; L140-W210 HydrophobicContact CD1-CH2 4.46Å; L140-W210 HydrophobicContact CD1-CZ2 3.77Å; L140-W210 VanDerWaalsContact CD1-NE1 3.33Å; L206-W210 PolarHBondContact O-N 3.11Å; K208-W210 VanDerWaalsContact C-N 3.31Å; K208-W210 PolarHBondContact O-N 3.24Å |
| 211 | T | 91.2 | Very high | 88.6 | Confident | 92 Ų | 92 | 88.8 Ų | 88.8 | 56% | 0.564 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -91.1 | -43.5 | 178.7 | 56.8 | 0 | 0 | 0 | 0 | 113.8 | I128 E207 K208 | I128-T211 HydrophobicContact CD1-CG2 4.31Å; I128-T211 HydrophobicContact CG2-CG2 4.32Å; E207-T211 WeakPolarHBondContact O-CB 3.49Å; E207-T211 VanDerWaalsContact O-CG2 3.29Å; E207-T211 WeakPolarHBondContact O-CG2 3.35Å; E207-T211 PolarHBondContact O-N 3.01Å; E207-T211 PolarHBondContact O-OG1 2.94Å; K208-T211 PolarHBondContact O-N 3.11Å |
| 212 | L | 88.4 | Confident | 88 | Confident | 81 Ų | 81 | 93.1 Ų | 93.1 | 42% | 0.424 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -93.1 | -30.2 | -174.6 | -61.1 | -179.9 | 0 | 0 | 0 | 113 | K208 T214 Y215 | K208-L212 HydrophobicContact CB-CD1 4.31Å; K208-L212 VanDerWaalsContact O-CB 3.32Å; K208-L212 WeakPolarHBondContact O-CB 3.41Å; K208-L212 PolarHBondContact O-N 3.39Å; L212-T214 PolarHBondContact O-N 3.12Å; L212-Y215 WeakPolarHBondContact O-CD2 3.43Å; L212-Y215 PolarHBondContact O-N 3.23Å |
| 213 | R | 82.8 | Confident | 87.4 | Confident | 109 Ų | 109 | 91 Ų | 91 | 41% | 0.411 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | 42.8 | -107 | -176.9 | -54 | -177.3 | 91.9 | -163.5 | 6.6 | 110.9 | L209 Y215 D216 L219 | L209-R213 WeakPolarHBondContact O-CA 3.48Å; L209-R213 VanDerWaalsContact O-CG 3.3Å; L209-R213 WeakPolarHBondContact O-CG 3.26Å; L209-R213 PolarHBondContact O-N 2.99Å; R213-Y215 PolarHBondContact O-N 2.97Å; R213-D216 WeakPolarHBondContact O-CB 3.49Å; R213-D216 PolarHBondContact O-N 3.38Å; R213-D216 VanDerWaalsContact O-N 3.13Å; R213-L219 VanDerWaalsContact O-CD1 3.23Å; R213-L219 WeakPolarHBondContact O-CD1 2.94Å |
| 214 | T | 82.1 | Confident | 86.7 | Confident | 120 Ų | 120 | 90.9 Ų | 90.9 | 74% | 0.736 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -55.3 | -23.4 | -178.7 | -41.4 | 0 | 0 | 0 | 0 | 115.4 | L212 | L212-T214 PolarHBondContact O-N 3.12Š|
| 215 | Y | 85.3 | Confident | 86 | Confident | 183 Ų | 183 | 94.4 Ų | 94.4 | 72% | 0.718 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -85.4 | -9.3 | -178.4 | -62.3 | -72.8 | 0 | 0 | 0 | 114.4 | L212 R213 K220 | L212-Y215 WeakPolarHBondContact O-CD2 3.43Å; L212-Y215 PolarHBondContact O-N 3.23Å; R213-Y215 PolarHBondContact O-N 2.97Å; Y215-K220 PolarHBondContact O-NZ 3.02Å |
| 216 | D | 85.9 | Confident | 85.3 | Confident | 10 Ų | 10 | 97.7 Ų | 97.7 | 5% | 0.053 | 49% | 0.487 | C | S | . | . | trans | -72.2 | 138 | -177.5 | 173 | 38.2 | 0 | 0 | 0 | 113.4 | R213 Q218 L219 K220 | R213-D216 WeakPolarHBondContact O-CB 3.49Å; R213-D216 PolarHBondContact O-N 3.38Å; R213-D216 VanDerWaalsContact O-N 3.13Å; D216-Q218 PolarHBondContact OD1-N 2.97Å; D216-Q218 WeakPolarHBondContact OD2-CB 3.22Å; D216-Q218 PolarHBondContact OD2-N 3.44Å; D216-L219 HydrophobicContact CB-CB 4.24Å; D216-L219 HydrophobicContact CB-CD1 4.27Å; D216-L219 HydrophobicContact CB-CG 4.37Å; D216-L219 WeakPolarHBondContact OD2-CG 3.41Å; D216-L219 PolarHBondContact OD2-N 3.34Å; D216-K220 WeakPolarHBondContact O-CE 3.32Å; D216-K220 VanDerWaalsContact O-CG 3.3Å; D216-K220 WeakPolarHBondContact O-CG 3.48Å; D216-K220 PolarHBondContact O-N 2.62Å | ||
| 217 | E | 85 | Confident | 84.7 | Confident | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -21.1 | 178.9 | -64.2 | -59 | 142.2 | 0 | 0 | 113.1 | K220 K221 | E217-K220 IonicContact OE1-NZ 2.97Å; E217-K220 PolarHBondContact OE1-NZ 3.15Å; E217-K220 IonicContact OE2-NZ 3.38Å; E217-K221 VanDerWaalsContact O-CD 3.25Å; E217-K221 WeakPolarHBondContact O-CD 3.23Å; E217-K221 VanDerWaalsContact O-CE 3.23Å; E217-K221 WeakPolarHBondContact O-CE 3.43Å; E217-K221 VanDerWaalsContact O-CG 3.31Å; E217-K221 WeakPolarHBondContact O-CG 3.44Å |
| 218 | Q | 81.8 | Confident | 84.2 | Confident | 80 Ų | 80 | 104.2 Ų | 104.2 | 37% | 0.374 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -50.8 | 169.8 | -64 | -174.9 | -29.8 | 0 | 0 | 109.6 | D216 K220 K221 I222 | D216-Q218 PolarHBondContact OD1-N 2.97Å; D216-Q218 WeakPolarHBondContact OD2-CB 3.22Å; D216-Q218 PolarHBondContact OD2-N 3.44Å; Q218-K220 VanDerWaalsContact C-N 3.3Å; Q218-K220 PolarHBondContact O-N 3.41Å; Q218-K221 WeakPolarHBondContact O-CB 3.4Å; Q218-K221 PolarHBondContact O-N 3.14Å; Q218-I222 PolarHBondContact O-N 2.97Å |
| 219 | L | 79.5 | Confident | 83.6 | Confident | 65 Ų | 65 | 109.8 Ų | 109.8 | 34% | 0.34 | 56% | 0.555 | S | S | . | * | G | 310 helix | trans | -54.9 | -39.2 | 176.6 | -79.2 | 178.6 | 0 | 0 | 0 | 113.8 | L209 R213 D216 K221 I222 | L209-L219 HydrophobicContact CD1-CD1 3.75Å; L209-L219 HydrophobicContact CD1-CD2 3.76Å; L209-L219 HydrophobicContact CD1-CG 3.83Å; R213-L219 VanDerWaalsContact O-CD1 3.23Å; R213-L219 WeakPolarHBondContact O-CD1 2.94Å; D216-L219 HydrophobicContact CB-CB 4.24Å; D216-L219 HydrophobicContact CB-CD1 4.27Å; D216-L219 HydrophobicContact CB-CG 4.37Å; D216-L219 WeakPolarHBondContact OD2-CG 3.41Å; D216-L219 PolarHBondContact OD2-N 3.34Å; L219-K221 PolarHBondContact O-N 3.15Å; L219-I222 HydrophobicContact CD2-CD1 4.06Å; L219-I222 PolarHBondContact O-N 3.49Å |
| 220 | K | 83.1 | Confident | 83 | Confident | 115 Ų | 115 | 114 Ų | 114 | 50% | 0.5 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -63.4 | -21 | 175.8 | -71.8 | 168.5 | -158.9 | 169.1 | 0 | 114.7 | Y215 D216 E217 Q218 | Y215-K220 PolarHBondContact O-NZ 3.02Å; D216-K220 WeakPolarHBondContact O-CE 3.32Å; D216-K220 VanDerWaalsContact O-CG 3.3Å; D216-K220 WeakPolarHBondContact O-CG 3.48Å; D216-K220 PolarHBondContact O-N 2.62Å; E217-K220 IonicContact OE1-NZ 2.97Å; E217-K220 PolarHBondContact OE1-NZ 3.15Å; E217-K220 IonicContact OE2-NZ 3.38Å; Q218-K220 VanDerWaalsContact C-N 3.3Å; Q218-K220 PolarHBondContact O-N 3.41Å |
| 221 | K | 85.1 | Confident | 82.4 | Confident | 160 Ų | 160 | 117 Ų | 117 | 70% | 0.696 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -91.2 | -16.9 | -179.2 | -66.8 | 164.8 | -169.7 | 164.9 | 0 | 112.9 | E217 Q218 L219 | E217-K221 VanDerWaalsContact O-CD 3.25Å; E217-K221 WeakPolarHBondContact O-CD 3.23Å; E217-K221 VanDerWaalsContact O-CE 3.23Å; E217-K221 WeakPolarHBondContact O-CE 3.43Å; E217-K221 VanDerWaalsContact O-CG 3.31Å; E217-K221 WeakPolarHBondContact O-CG 3.44Å; Q218-K221 WeakPolarHBondContact O-CB 3.4Å; Q218-K221 PolarHBondContact O-N 3.14Å; L219-K221 PolarHBondContact O-N 3.15Å |
| 222 | I | 82.3 | Confident | 81.6 | Confident | 109 Ų | 109 | 118.8 Ų | 118.8 | 56% | 0.559 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -71.5 | 121.6 | 177 | -60.1 | 178.7 | 0 | 0 | 0 | 107.5 | Q218 L219 | Q218-I222 PolarHBondContact O-N 2.97Å; L219-I222 HydrophobicContact CD2-CD1 4.06Å; L219-I222 PolarHBondContact O-N 3.49Å |
| 223 | P | 81.4 | Confident | 80.6 | Confident | 106 Ų | 106 | 123 Ų | 123 | 69% | 0.688 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -64 | 138.8 | 175.2 | 28.1 | -33.8 | 0 | 0 | 0 | 109.3 | E225 | P223-E225 PolarHBondContact O-N 3.02Å; P223-E225 VanDerWaalsContact O-N 3.15Å |
| 224 | V | 80.2 | Confident | 79.5 | Confident | 129 Ų | 129 | 123.7 Ų | 123.7 | 78% | 0.782 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 118.4 | 175.7 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | T226 | V224-T226 PolarHBondContact O-N 2.75Š|
| 225 | E | 76.1 | Confident | 78.5 | Confident | 185 Ų | 185 | 121.6 Ų | 121.6 | 86% | 0.864 | 62% | 0.62 | S | S | * | * | trans | -66.7 | 100.2 | 172 | -68.5 | -167.3 | 165.1 | 0 | 0 | 109.3 | P223 L227 | P223-E225 PolarHBondContact O-N 3.02Å; P223-E225 VanDerWaalsContact O-N 3.15Å; E225-L227 PolarHBondContact O-N 3.22Å | ||
| 226 | T | 80.9 | Confident | 77.1 | Confident | 122 Ų | 122 | 119.5 Ų | 119.5 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 117.4 | 168.8 | 52.3 | 0 | 0 | 0 | 0 | 108.6 | V224 | V224-T226 PolarHBondContact O-N 2.75Š|
| 227 | L | 79.6 | Confident | 75.7 | Confident | 129 Ų | 129 | 127.3 Ų | 127.3 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 138.2 | 167.1 | -68.7 | 174 | 0 | 0 | 0 | 109.3 | E225 | E225-L227 PolarHBondContact O-N 3.22Š|
| 228 | P | 84.3 | Confident | 74.4 | Confident | 86 Ų | 86 | 131.8 Ų | 131.8 | 56% | 0.558 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 143.6 | 172.5 | -24.2 | 34.2 | 0 | 0 | 0 | 111.2 | D230 F231 | P228-D230 PolarHBondContact O-N 2.96Å; P228-D230 VanDerWaalsContact O-N 3.15Å; P228-F231 VanDerWaalsContact O-CB 3.28Å; P228-F231 WeakPolarHBondContact O-CB 3.28Å; P228-F231 PolarHBondContact O-N 3.03Å |
| 229 | E | 78.4 | Confident | 73.1 | Confident | 200 Ų | 200 | 134 Ų | 134 | 94% | 0.935 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -28.4 | 179.4 | -62.1 | -178.3 | 178.5 | 0 | 0 | 112.3 | F231 | E229-F231 VanDerWaalsContact C-N 3.27Å; E229-F231 PolarHBondContact O-N 3.17Å |
| 230 | D | 78.1 | Confident | 71.4 | Confident | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 1 | 177.2 | -57.7 | -42.4 | 0 | 0 | 0 | 114.3 | P228 I232 | P228-D230 PolarHBondContact O-N 2.96Å; P228-D230 VanDerWaalsContact O-N 3.15Å; D230-I232 VanDerWaalsContact C-N 3.31Å; D230-I232 PolarHBondContact O-N 2.71Å |
| 231 | F | 78.3 | Confident | 70.8 | Confident | 119 Ų | 119 | 145.4 Ų | 145.4 | 52% | 0.522 | 75% | 0.747 | S | S | . | * | trans | -77.7 | 78.9 | -179.2 | -158.5 | -87.1 | 0 | 0 | 0 | 111.3 | P228 E229 F233 | P228-F231 VanDerWaalsContact O-CB 3.28Å; P228-F231 WeakPolarHBondContact O-CB 3.28Å; P228-F231 PolarHBondContact O-N 3.03Å; E229-F231 VanDerWaalsContact C-N 3.27Å; E229-F231 PolarHBondContact O-N 3.17Å; F231-F233 HydrophobicContact CD1-CD2 4.13Å; F231-F233 AromaticContact CE1-CD2 3.73Å; F231-F233 HydrophobicContact CE1-CD2 3.73Å; F231-F233 HydrophobicContact CE1-CE2 4.09Å; F231-F233 PolarHBondContact O-N 2.97Å | ||
| 232 | I | 75.6 | Confident | 70.1 | Confident | 130 Ų | 130 | 144.6 Ų | 144.6 | 67% | 0.667 | 75% | 0.749 | S | S | * | * | trans | -66.5 | 103.3 | 175.1 | -56.2 | 176.6 | 0 | 0 | 0 | 109.1 | D230 D234 | D230-I232 VanDerWaalsContact C-N 3.31Å; D230-I232 PolarHBondContact O-N 2.71Å; I232-D234 PolarHBondContact O-N 3.38Å | ||
| 233 | F | 65.9 | Low | 69.4 | Low | 169 Ų | 169 | 146.6 Ų | 146.6 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | trans | -77.6 | 97.3 | 165.5 | -136.3 | -79.1 | 0 | 0 | 0 | 107.6 | F231 A235 | F231-F233 HydrophobicContact CD1-CD2 4.13Å; F231-F233 AromaticContact CE1-CD2 3.73Å; F231-F233 HydrophobicContact CE1-CD2 3.73Å; F231-F233 HydrophobicContact CE1-CE2 4.09Å; F231-F233 PolarHBondContact O-N 2.97Å; F233-A235 PolarHBondContact O-N 2.9Å | ||
| 234 | D | 61.5 | Low | 68.7 | Low | 125 Ų | 125 | 149 Ų | 149 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | trans | -68.4 | 75.3 | -179.9 | -87.4 | -40.7 | 0 | 0 | 0 | 111.8 | I232 N236 | I232-D234 PolarHBondContact O-N 3.38Å; D234-N236 PolarHBondContact O-N 3.15Å; D234-N236 VanDerWaalsContact O-N 3.11Å | ||
| 235 | A | 60.7 | Low | 68 | Low | 76 Ų | 76 | 150.3 Ų | 150.3 | 63% | 0.628 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -0.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | F233 | F233-A235 PolarHBondContact O-N 2.9Š|
| 236 | N | 55.5 | Low | 67.5 | Low | 139 Ų | 139 | 147.9 Ų | 147.9 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.5 | 0.3 | -169.1 | -71 | -26.3 | 0 | 0 | 0 | 114.9 | D234 F238 | D234-N236 PolarHBondContact O-N 3.15Å; D234-N236 VanDerWaalsContact O-N 3.11Å; N236-F238 VanDerWaalsContact C-N 3.32Å; N236-F238 PolarHBondContact O-N 3.15Å |
| 237 | E | 56.9 | Low | 66.5 | Low | 173 Ų | 173 | 149.8 Ų | 149.8 | 81% | 0.808 | 76% | 0.757 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | -2.3 | -174.4 | -139 | 176.4 | -164.7 | 0 | 0 | 114.8 | ||
| 238 | F | 56.8 | Low | 65.5 | Low | 201 Ų | 201 | 151.4 Ų | 151.4 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.9 | 4.2 | -179.3 | -79.8 | -78.7 | 0 | 0 | 0 | 115.7 | N236 | N236-F238 VanDerWaalsContact C-N 3.32Å; N236-F238 PolarHBondContact O-N 3.15Å |
| 239 | T | 54 | Low | 63.9 | Low | 126 Ų | 126 | 156.8 Ų | 156.8 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -110.8 | 79.1 | 173.5 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 240 | K | 45.3 | Very low | 62.6 | Low | 275 Ų | 275 | 152.9 Ų | 152.9 | 100% | 1.196 | 77% | 0.766 | S | S | * | * | trans | -155.5 | 0 | 161.9 | -117.9 | 175.8 | -173.5 | 172.3 | 0 | 112.3 |
Retrieved 240 of 240 residues in 313.3 ms
(Link to these results)