| 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 | 36 | Very low | 32.6 | Very low | 233 Ų | 233 | 144.7 Ų | 144.7 | 100% | 1.148 | 83% | 0.825 | S | S | * | * | 0 | 84.7 | 0 | -52.7 | -50 | -176.7 | 0 | 0 | 107 | |||||
| 2 | A | 32 | Very low | 32.5 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | 81.4 | 139.9 | 75.3 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 3 | A | 31.7 | Very low | 32.5 | Very low | 91 Ų | 91 | 150.5 Ų | 150.5 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | cis | -162.7 | 145.5 | -16.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 4 | V | 31.4 | Very low | 32.3 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | trans | 23.4 | 124 | 133.8 | -173 | 0 | 0 | 0 | 0 | 121.5 | V6 | V4-V6 HydrophobicContact CG1-CG2 4.24Š| ||
| 5 | A | 31.2 | Very low | 32 | Very low | 94 Ų | 94 | 148.2 Ų | 148.2 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | -173.6 | 128.1 | 129.9 | 0 | 0 | 0 | 0 | 0 | 107 | |||||
| 6 | V | 32.9 | Very low | 32 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 72% | 0.721 | 82% | 0.822 | S | S | * | * | cis | 63.3 | 97.3 | 24.7 | -169.3 | 0 | 0 | 0 | 0 | 114.6 | V4 | V4-V6 HydrophobicContact CG1-CG2 4.24Š| ||
| 7 | L | 35.4 | Very low | 32 | Very low | 177 Ų | 177 | 150.4 Ų | 150.4 | 93% | 0.927 | 82% | 0.822 | S | S | * | * | trans | -141 | 120.1 | 140.8 | -96.2 | 174.5 | 0 | 0 | 0 | 109.8 | ||||
| 8 | R | 35.9 | Very low | 31.8 | Very low | 208 Ų | 208 | 149.6 Ų | 149.6 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -75.2 | 161.8 | 162.2 | -67.5 | 169.1 | 163.1 | 169.3 | -9.4 | 108.8 | ||||
| 9 | N | 27.9 | Very low | 31.6 | Very low | 157 Ų | 157 | 154.8 Ų | 154.8 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | -149.7 | 139.7 | 118.9 | -146 | 1.8 | 0 | 0 | 0 | 112.9 | |||||
| 10 | E | 32.2 | Very low | 31.7 | Very low | 154 Ų | 154 | 153.5 Ų | 153.5 | 72% | 0.72 | 82% | 0.821 | S | S | * | * | trans | -106.9 | 147.8 | 172.8 | -60.8 | -177.4 | 155.6 | 0 | 0 | 108.9 | ||||
| 11 | T | 32.2 | Very low | 32.2 | Very low | 126 Ų | 126 | 151 Ų | 151 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | 172.5 | 127.2 | 160.6 | 17.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 12 | L | 31 | Very low | 31.7 | Very low | 165 Ų | 165 | 147.2 Ų | 147.2 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | cis | -140.5 | 139.1 | 11.4 | -82.6 | 147.4 | 0 | 0 | 0 | 110 | ||||
| 13 | Q | 32.5 | Very low | 31.5 | Very low | 200 Ų | 200 | 148 Ų | 148 | 94% | 0.935 | 80% | 0.797 | S | S | * | * | trans | -127.9 | 115 | 161.5 | -164.3 | -175.1 | 31.6 | 0 | 0 | 107.4 | ||||
| 14 | A | 29.6 | Very low | 31.1 | Very low | 74 Ų | 74 | 149 Ų | 149 | 61% | 0.612 | 80% | 0.799 | S | S | * | * | trans | -165.8 | 147.4 | 168 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 15 | F | 28.6 | Very low | 31.7 | Very low | 192 Ų | 192 | 147.8 Ų | 147.8 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | 66 | 114.9 | 171.7 | -61.6 | -80.3 | 0 | 0 | 0 | 115.9 | ||||
| 16 | L | 31.4 | Very low | 31.6 | Very low | 158 Ų | 158 | 152.2 Ų | 152.2 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | cis | -149.8 | 153.8 | 6.6 | -87.2 | 159.1 | 0 | 0 | 0 | 110.7 | ||||
| 17 | Q | 31.9 | Very low | 31.4 | Very low | 176 Ų | 176 | 153.3 Ų | 153.3 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | trans | -117.9 | 150 | 162.3 | -93.7 | 178.8 | -40.4 | 0 | 0 | 111 | ||||
| 18 | D | 28.1 | Very low | 31 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | 53.9 | 115.3 | 157.2 | -62 | -21.4 | 0 | 0 | 0 | 122.1 | ||||
| 19 | R | 28.9 | Very low | 30.6 | Very low | 249 Ų | 249 | 147.2 Ų | 147.2 | 94% | 0.94 | 78% | 0.783 | S | S | * | * | -141.9 | 126.5 | 115.4 | -70.3 | -162.4 | 178.2 | 172.3 | -0.5 | 111.7 | |||||
| 20 | T | 32.3 | Very low | 30.8 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | -112.9 | -171.8 | 156.6 | 63.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 21 | P | 43 | Very low | 30.6 | Very low | 101 Ų | 101 | 146.3 Ų | 146.3 | 66% | 0.656 | 79% | 0.786 | S | S | * | * | cis | -129.9 | 173.5 | -14.2 | 40.9 | -26.4 | 0 | 0 | 0 | 113.7 | ||||
| 22 | N | 25.4 | Very low | 30.9 | Very low | 153 Ų | 153 | 145.4 Ų | 145.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | 172 | 160.9 | 123.2 | -102.7 | -32 | 0 | 0 | 0 | 116.7 | |||||
| 23 | S | 27.3 | Very low | 30.9 | Very low | 117 Ų | 117 | 146.2 Ų | 146.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 65.9 | 116.6 | 160.6 | 49.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 24 | S | 24.8 | Very low | 30.8 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -88.3 | -174.5 | 157.4 | -147.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 25 | P | 42.8 | Very low | 30.9 | Very low | 107 Ų | 107 | 145.7 Ų | 145.7 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | cis | -126.6 | 178.5 | -18.9 | 32.3 | -12.8 | 0 | 0 | 0 | 113.2 | ||||
| 26 | E | 29.3 | Very low | 31.1 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | 177.4 | 126.9 | 124.9 | -98 | -175.6 | -176.9 | 0 | 0 | 116.2 | |||||
| 27 | N | 29.4 | Very low | 30.9 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | trans | -0.5 | 124.1 | 156.8 | -84.8 | -43.4 | 0 | 0 | 0 | 122.7 | ||||
| 28 | C | 25.8 | Very low | 30.9 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 66% | 0.655 | 79% | 0.788 | S | S | * | * | 177.5 | 116.2 | 90.3 | -102.8 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 29 | K | 28 | Very low | 31.1 | Very low | 160 Ų | 160 | 137.1 Ų | 137.1 | 70% | 0.696 | 79% | 0.793 | S | S | * | * | trans | 53.7 | 114.4 | 131.1 | -53.6 | 172 | -173.8 | 173.2 | 0 | 121.2 | ||||
| 30 | H | 33.3 | Very low | 31.2 | Very low | 178 Ų | 178 | 131.3 Ų | 131.3 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | 146.4 | 86.3 | 123.4 | -69.9 | 109.3 | 0 | 0 | 0 | 114.7 | |||||
| 31 | S | 27.5 | Very low | 31.1 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 10.4 | 160.8 | 132.5 | -146 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 32 | P | 37.5 | Very low | 30.5 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | cis | -136.3 | 163.4 | -43 | 36 | -20.7 | 0 | 0 | 0 | 114.2 | ||||
| 33 | L | 31 | Very low | 30.7 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | trans | 177 | 83.1 | 139.5 | -101.9 | 165.3 | 0 | 0 | 0 | 111.9 | ||||
| 34 | A | 30.5 | Very low | 30.7 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -154.2 | 94.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 35 | L | 32.4 | Very low | 31 | Very low | 163 Ų | 163 | 141.8 Ų | 141.8 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -164.6 | 132.7 | 178.6 | -99 | 167.9 | 0 | 0 | 0 | 105.8 | ||||
| 36 | L | 32.2 | Very low | 30.3 | Very low | 153 Ų | 153 | 145 Ų | 145 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | cis | -125.1 | 157.1 | 2.1 | -80.4 | 82.4 | 0 | 0 | 0 | 111 | ||||
| 37 | A | 28.2 | Very low | 30.3 | Very low | 96 Ų | 96 | 144.4 Ų | 144.4 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | trans | -127.9 | 147.8 | 149.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 38 | A | 30.4 | Very low | 30.1 | Very low | 97 Ų | 97 | 141 Ų | 141 | 80% | 0.802 | 81% | 0.809 | S | S | * | * | trans | 63.4 | 117.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 39 | T | 33.7 | Very low | 30.2 | Very low | 135 Ų | 135 | 142.6 Ų | 142.6 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | trans | -126.5 | 97.1 | 141.5 | 49.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 40 | C | 30.5 | Very low | 30.1 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 86% | 0.858 | 83% | 0.825 | S | S | * | * | trans | 37.6 | 124.1 | 147.8 | -56.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 41 | N | 30.7 | Very low | 30.4 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -57.9 | 147 | 153.9 | -72.6 | -40.7 | 0 | 0 | 0 | 112.9 | ||||
| 42 | R | 29.2 | Very low | 30.4 | Very low | 239 Ų | 239 | 135.6 Ų | 135.6 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -143 | 104.4 | 149.2 | -94.2 | -168.7 | -176.4 | -167.1 | 1.9 | 112.1 | ||||
| 43 | I | 30.4 | Very low | 29.9 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 89% | 0.892 | 82% | 0.823 | S | S | * | * | trans | 33.2 | 122.5 | 137.2 | -52 | 173.4 | 0 | 0 | 0 | 118.5 | ||||
| 44 | G | 28.1 | Very low | 29.8 | Very low | 75 Ų | 75 | 138.5 Ų | 138.5 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | 179.6 | 77.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 45 | H | 30.8 | Very low | 29.7 | Very low | 182 Ų | 182 | 141.2 Ų | 141.2 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | trans | -77.2 | 135.1 | 167.9 | -94.5 | -94.5 | 0 | 0 | 0 | 110.2 | ||||
| 46 | H | 27.6 | Very low | 29.5 | Very low | 174 Ų | 174 | 140.7 Ų | 140.7 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | trans | -163.1 | 142.1 | 139.5 | -92.6 | -73.7 | 0 | 0 | 0 | 109.9 | ||||
| 47 | H | 29.3 | Very low | 29.3 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -2.8 | 138.1 | 160.9 | -46.8 | -109.5 | 0 | 0 | 0 | 117.5 | ||||
| 48 | G | 24.8 | Very low | 29.6 | Very low | 70 Ų | 70 | 140.1 Ų | 140.1 | 72% | 0.722 | 81% | 0.805 | S | S | * | * | cis | 103.3 | 95.7 | 25.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 49 | S | 27.6 | Very low | 29.4 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 92% | 0.923 | 80% | 0.803 | S | S | * | * | trans | -179.1 | 140.9 | 157.8 | -81.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 50 | S | 26.4 | Very low | 29.1 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 81% | 0.805 | S | S | * | * | trans | -137 | 134.9 | 159.2 | 177.8 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 51 | P | 40.3 | Very low | 29 | Very low | 117 Ų | 117 | 144.9 Ų | 144.9 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | -129.4 | 156.9 | 99.9 | 9.2 | 13.7 | 0 | 0 | 0 | 110.9 | |||||
| 52 | A | 27.5 | Very low | 29 | Very low | 79 Ų | 79 | 142.8 Ų | 142.8 | 65% | 0.653 | 79% | 0.787 | S | S | * | * | cis | 75.1 | 96.1 | 49.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 53 | D | 26.2 | Very low | 29 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | -163.3 | 106.8 | 153.5 | -87.7 | -35.6 | 0 | 0 | 0 | 105.1 | ||||
| 54 | F | 28.4 | Very low | 28.8 | Very low | 189 Ų | 189 | 134.9 Ų | 134.9 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | 46.3 | 108.5 | 75.9 | -92.9 | -82.7 | 0 | 0 | 0 | 115.4 | |||||
| 55 | L | 30.1 | Very low | 28.9 | Very low | 156 Ų | 156 | 137 Ų | 137 | 82% | 0.817 | 78% | 0.784 | S | S | * | * | -166.9 | 164.2 | 118.6 | -97.8 | 175 | 0 | 0 | 0 | 110.7 | |||||
| 56 | Q | 28.2 | Very low | 29 | Very low | 152 Ų | 152 | 134 Ų | 134 | 71% | 0.71 | 78% | 0.781 | S | S | * | * | trans | -80.9 | 163.1 | -156.6 | -72.7 | 112.9 | -38.6 | 0 | 0 | 118 | ||||
| 57 | V | 27.7 | Very low | 28.9 | Very low | 126 Ų | 126 | 130.9 Ų | 130.9 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -38.9 | 156.3 | 153.9 | -134.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 58 | P | 33.8 | Very low | 29.1 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | -121.3 | 143.9 | 114.2 | 34.7 | -32.8 | 0 | 0 | 0 | 112.9 | |||||
| 59 | Y | 26.2 | Very low | 29.2 | Very low | 194 Ų | 194 | 137 Ų | 137 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | -64.9 | 149.4 | 160.6 | 49.8 | -86.3 | 0 | 0 | 0 | 109 | ||||
| 60 | D | 26.4 | Very low | 29.1 | Very low | 163 Ų | 163 | 140.4 Ų | 140.4 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | trans | -142.1 | 151.6 | 152.4 | -147.3 | -16.1 | 0 | 0 | 0 | 110.3 | ||||
| 61 | T | 28.8 | Very low | 29.3 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 62% | 0.62 | 78% | 0.778 | S | S | * | * | trans | -124.2 | 144.8 | -164 | -36.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 62 | T | 30.4 | Very low | 28.7 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | trans | 93.2 | 144.3 | 163.5 | 79.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 63 | L | 30.9 | Very low | 28.7 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | 74.2 | 120.7 | 161.9 | -52.2 | -176.6 | 0 | 0 | 0 | 120.1 | ||||
| 64 | G | 26.3 | Very low | 28.7 | Very low | 73 Ų | 73 | 147.9 Ų | 147.9 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | 129.8 | 62.8 | 146.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | P66 | G64-P66 WeakPolarHBondContact O-CD 3.19Š| ||
| 65 | S | 28.7 | Very low | 28.6 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -64.3 | 135.8 | 163 | -54.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 66 | P | 32.5 | Very low | 28.5 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | trans | -110.2 | 103.2 | 158 | 26.8 | -11.2 | 0 | 0 | 0 | 110.5 | G64 R68 | G64-P66 WeakPolarHBondContact O-CD 3.19Å; P66-R68 PolarHBondContact O-N 3.1Å | ||
| 67 | S | 26.8 | Very low | 28.4 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -56.5 | 118.9 | 170.8 | -54.8 | 0 | 0 | 0 | 0 | 111 | I69 | S67-I69 PolarHBondContact O-N 3.49Š| ||
| 68 | R | 32.6 | Very low | 28.3 | Very low | 242 Ų | 242 | 144.9 Ų | 144.9 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | trans | -80.3 | 101.2 | 170 | -79.4 | -167.8 | 178.4 | -173.9 | 1.8 | 110.6 | P66 F70 | P66-R68 PolarHBondContact O-N 3.1Å; R68-F70 PolarHBondContact O-N 3.4Å | ||
| 69 | I | 28.5 | Very low | 28.5 | Very low | 132 Ų | 132 | 145 Ų | 145 | 68% | 0.677 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 126.1 | 169.7 | -64.5 | 166 | 0 | 0 | 0 | 109.2 | S67 | S67-I69 PolarHBondContact O-N 3.49Š|
| 70 | F | 25.4 | Very low | 28.6 | Very low | 203 Ų | 203 | 144.4 Ų | 144.4 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 116.1 | 166.8 | -96.7 | -94.9 | 0 | 0 | 0 | 109.3 | R68 | R68-F70 PolarHBondContact O-N 3.4Š|
| 71 | H | 29.3 | Very low | 28.7 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -86 | 136 | 165.8 | -74.2 | -86.2 | 0 | 0 | 0 | 110.4 | ||
| 72 | P | 29 | Very low | 28.6 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 134.8 | 169.7 | 30.9 | -32.7 | 0 | 0 | 0 | 110.1 | S74 | P72-S74 PolarHBondContact O-N 3.05Š|
| 73 | W | 26 | Very low | 28.5 | Very low | 245 Ų | 245 | 145.3 Ų | 145.3 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | trans | -84.4 | 108.6 | -176.9 | -163.7 | -30.5 | 0 | 0 | 0 | 111.1 | ||||
| 74 | S | 25.8 | Very low | 28.2 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -78.3 | 125.2 | 167.6 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | P72 E76 | P72-S74 PolarHBondContact O-N 3.05Å; S74-E76 PolarHBondContact O-N 2.84Å | ||
| 75 | N | 28.3 | Very low | 28.3 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -91.6 | 102.2 | -172 | -167.3 | 49.7 | 0 | 0 | 0 | 111.7 | ||||
| 76 | E | 26.9 | Very low | 28.3 | Very low | 176 Ų | 176 | 146.2 Ų | 146.2 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -129.6 | 138.8 | 178.1 | -89.1 | -69.7 | 160.3 | 0 | 0 | 111.6 | S74 | S74-E76 PolarHBondContact O-N 2.84Š| ||
| 77 | G | 25.3 | Very low | 28.1 | Very low | 69 Ų | 69 | 146.4 Ų | 146.4 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | trans | 39.5 | 121.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 78 | N | 26.9 | Very low | 28.2 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | trans | -148.1 | 156.9 | 141.4 | -137.5 | 12.6 | 0 | 0 | 0 | 108.7 | ||||
| 79 | P | 38 | Very low | 28 | Very low | 114 Ų | 114 | 145.7 Ų | 145.7 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | -120.8 | -171 | -119.8 | 21.9 | 3 | 0 | 0 | 0 | 113.8 | |||||
| 80 | Q | 27.7 | Very low | 27.8 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 81% | 0.805 | S | S | * | * | trans | -51.1 | 146.6 | -177.3 | -63.2 | 175.9 | -33.4 | 0 | 0 | 114.9 | ||||
| 81 | S | 28.5 | Very low | 28 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | -125.2 | 146.8 | 141.8 | 49.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 82 | T | 27.8 | Very low | 27.8 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | -90.4 | 145.2 | -167.2 | 43.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 83 | L | 28.1 | Very low | 27.9 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | 173 | 114.1 | 123.1 | -91.7 | 159.9 | 0 | 0 | 0 | 113 | |||||
| 84 | S | 25 | Very low | 28.3 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 14.5 | 126 | 148.4 | -48.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 85 | S | 28.1 | Very low | 28.5 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | -164.7 | 150.1 | 109 | 35.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 86 | N | 28.1 | Very low | 28.8 | Very low | 159 Ų | 159 | 136.5 Ų | 136.5 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -84.5 | 149.3 | -169 | -60.8 | -31.7 | 0 | 0 | 0 | 113.1 | ||||
| 87 | S | 27.3 | Very low | 28.9 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -161.6 | 150.8 | 132.7 | 31.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 88 | T | 29.7 | Very low | 29.1 | Very low | 123 Ų | 123 | 140 Ų | 140 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -94 | -176.5 | -166.1 | -39.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 89 | F | 28.4 | Very low | 29.3 | Very low | 211 Ų | 211 | 140.4 Ų | 140.4 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | 81.4 | 135.2 | -179.4 | -52.6 | -79.9 | 0 | 0 | 0 | 114.8 | ||||
| 90 | G | 24.6 | Very low | 29 | Very low | 64 Ų | 64 | 142.4 Ų | 142.4 | 66% | 0.66 | 80% | 0.802 | S | S | * | * | cis | 144.5 | 128.3 | -6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 91 | L | 29.8 | Very low | 29.1 | Very low | 170 Ų | 170 | 139 Ų | 139 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | 72.3 | 115.7 | 171.3 | -52.4 | 173 | 0 | 0 | 0 | 115.2 | ||||
| 92 | S | 25.4 | Very low | 29.3 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | 92.8 | 139.8 | 84.9 | -160 | 0 | 0 | 0 | 0 | 111 | |||||
| 93 | S | 31.1 | Very low | 29.3 | Very low | 97 Ų | 97 | 142.6 Ų | 142.6 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | cis | -158.4 | 151.1 | 28.2 | -40 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 94 | K | 32.7 | Very low | 29.5 | Very low | 195 Ų | 195 | 140.9 Ų | 140.9 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | trans | 38.8 | 119.5 | 134.3 | -59.7 | 174.9 | 179.7 | 178.9 | 0 | 121.4 | ||||
| 95 | S | 31.4 | Very low | 29.6 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | 166.9 | 98.6 | 106 | 58.8 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 96 | Q | 33.2 | Very low | 29.9 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | 53.8 | 108.9 | 77.9 | -166.2 | 177.3 | 13.5 | 0 | 0 | 113.9 | |||||
| 97 | L | 29.9 | Very low | 30 | Very low | 168 Ų | 168 | 145.9 Ų | 145.9 | 88% | 0.88 | 80% | 0.803 | S | S | * | * | -158.3 | 134.5 | 126 | -104.5 | 173.2 | 0 | 0 | 0 | 110.8 | |||||
| 98 | H | 30.2 | Very low | 30.2 | Very low | 150 Ų | 150 | 148.4 Ų | 148.4 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | trans | -85.2 | 158.6 | 170.5 | -116.1 | 61.4 | 0 | 0 | 0 | 109.3 | ||||
| 99 | I | 31.4 | Very low | 30.5 | Very low | 169 Ų | 169 | 149.9 Ų | 149.9 | 87% | 0.867 | 80% | 0.804 | S | S | * | * | -166 | 139 | 125.3 | -95.1 | 148.6 | 0 | 0 | 0 | 107.9 | |||||
| 100 | Q | 30.7 | Very low | 30.8 | Very low | 156 Ų | 156 | 146 Ų | 146 | 73% | 0.729 | 80% | 0.8 | S | S | * | * | trans | -101.7 | 170.8 | -179.1 | -75.2 | -175.4 | -66.4 | 0 | 0 | 112.1 | ||||
| 101 | S | 30.7 | Very low | 31.2 | Very low | 110 Ų | 110 | 150.4 Ų | 150.4 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | 79.5 | 157.4 | 154 | 85.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 102 | S | 32 | Very low | 31.2 | Very low | 99 Ų | 99 | 149 Ų | 149 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | cis | 174.5 | 126.2 | -29.4 | -88.6 | 0 | 0 | 0 | 0 | 103.7 | ||||
| 103 | F | 27.2 | Very low | 32 | Very low | 218 Ų | 218 | 149.9 Ų | 149.9 | 96% | 0.956 | 81% | 0.809 | S | S | * | * | trans | -154.5 | 128.7 | 153 | -109.9 | -73.1 | 0 | 0 | 0 | 111.3 | ||||
| 104 | T | 31.8 | Very low | 32.4 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 77% | 0.767 | 82% | 0.816 | S | S | * | * | trans | -104.1 | 140.5 | 177.4 | 45.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 105 | S | 28.9 | Very low | 32.4 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -160 | 126.2 | 150.1 | 54.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 106 | H | 33.3 | Very low | 32.3 | Very low | 176 Ų | 176 | 148.4 Ų | 148.4 | 82% | 0.815 | 81% | 0.814 | S | S | * | * | trans | -75.4 | 152.5 | 172.7 | -67.1 | -117.4 | 0 | 0 | 0 | 111 | ||||
| 107 | H | 30.7 | Very low | 32.8 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | -158.2 | 148.7 | 129.6 | -129.1 | -89.2 | 0 | 0 | 0 | 112.2 | |||||
| 108 | E | 31.1 | Very low | 32.8 | Very low | 177 Ų | 177 | 142.6 Ų | 142.6 | 83% | 0.827 | 80% | 0.804 | S | S | * | * | trans | -88.7 | 171.7 | -175.4 | -65.9 | -145 | 103.2 | 0 | 0 | 114.7 | ||||
| 109 | L | 34.9 | Very low | 32.8 | Very low | 153 Ų | 153 | 146 Ų | 146 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | trans | -58.4 | 164.6 | 177.8 | -65.9 | 161.5 | 0 | 0 | 0 | 113.7 | ||||
| 110 | P | 36.8 | Very low | 33.2 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | -136.2 | 165.1 | 101.4 | 32 | -17.8 | 0 | 0 | 0 | 115.5 | |||||
| 111 | L | 31.8 | Very low | 33.2 | Very low | 157 Ų | 157 | 146.8 Ų | 146.8 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -76.8 | 148.1 | -177.6 | -65.8 | 149.6 | 0 | 0 | 0 | 113.3 | ||||
| 112 | T | 30.9 | Very low | 33 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | trans | -173.1 | 144.4 | 134.2 | 17.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 113 | P | 42.3 | Very low | 33 | Very low | 120 Ų | 120 | 153 Ų | 153 | 78% | 0.779 | 82% | 0.823 | S | S | * | * | trans | -109.5 | 156.5 | 179.6 | 39.4 | -32.5 | 0 | 0 | 0 | 114.3 | ||||
| 114 | P | 39.4 | Very low | 33.1 | Very low | 125 Ų | 125 | 147.6 Ų | 147.6 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | trans | -130.1 | 160.6 | 149.2 | 38.1 | -26.8 | 0 | 0 | 0 | 111.8 | ||||
| 115 | A | 32.2 | Very low | 33.3 | Very low | 93 Ų | 93 | 147 Ų | 147 | 77% | 0.769 | 81% | 0.811 | S | S | * | * | cis | -165.6 | 142.3 | -22.9 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 116 | D | 29.7 | Very low | 33.4 | Very low | 156 Ų | 156 | 147.6 Ų | 147.6 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -74.5 | 152.1 | 174.1 | -77.4 | -47.6 | 0 | 0 | 0 | 112.2 | ||||
| 117 | P | 41.9 | Very low | 33.3 | Very low | 123 Ų | 123 | 146 Ų | 146 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | trans | -123 | 107.9 | 141.6 | 32.9 | -22.6 | 0 | 0 | 0 | 111.2 | ||||
| 118 | S | 30.6 | Very low | 33.4 | Very low | 103 Ų | 103 | 145.2 Ų | 145.2 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -71.7 | 133.2 | 177.2 | -40.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 119 | Y | 30.1 | Very low | 33.4 | Very low | 222 Ų | 222 | 144.2 Ų | 144.2 | 87% | 0.871 | 80% | 0.804 | S | S | * | * | trans | -141.1 | 129.3 | 156.6 | -103.2 | -83.2 | 0 | 0 | 0 | 109.8 | ||||
| 120 | P | 39.6 | Very low | 33.6 | Very low | 119 Ų | 119 | 142.3 Ų | 142.3 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83 | 138.3 | -176.7 | 33 | -34.2 | 0 | 0 | 0 | 112.1 | ||
| 121 | Y | 30.1 | Very low | 33.1 | Very low | 222 Ų | 222 | 142.7 Ų | 142.7 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 116 | 165 | -111.1 | -90.5 | 0 | 0 | 0 | 109.5 | ||
| 122 | D | 28 | Very low | 33 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 126.4 | -178.8 | -153.1 | -23.9 | 0 | 0 | 0 | 110.9 | ||
| 123 | F | 31.5 | Very low | 33.3 | Very low | 197 Ų | 197 | 141.8 Ų | 141.8 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -100 | 88.5 | 179.8 | -104 | -84.8 | 0 | 0 | 0 | 110.1 | ||||
| 124 | S | 28.4 | Very low | 33 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -88.6 | 122.5 | 166.4 | -78.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 125 | P | 36.2 | Very low | 32.5 | Very low | 114 Ų | 114 | 144.1 Ų | 144.1 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | trans | -77.6 | 127.3 | 175.8 | 30.4 | -33 | 0 | 0 | 0 | 111.3 | N127 | P125-N127 PolarHBondContact O-N 3.05Š| ||
| 126 | V | 32.3 | Very low | 32.7 | Very low | 132 Ų | 132 | 147.4 Ų | 147.4 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | -75.8 | 106.5 | 172.6 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | M128 | V126-M128 PolarHBondContact O-N 3.24Š| ||
| 127 | N | 31.5 | Very low | 32.8 | Very low | 142 Ų | 142 | 149.5 Ų | 149.5 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | -61.7 | 121.5 | 173.1 | -86.4 | -30.6 | 0 | 0 | 0 | 111.3 | P125 | P125-N127 PolarHBondContact O-N 3.05Š| ||
| 128 | M | 32.1 | Very low | 32.4 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -76.6 | 119.4 | 162.8 | -77.8 | -79 | 153.7 | 0 | 0 | 109.1 | V126 | V126-M128 PolarHBondContact O-N 3.24Š| ||
| 129 | L | 31.3 | Very low | 32.3 | Very low | 156 Ų | 156 | 150 Ų | 150 | 82% | 0.817 | 82% | 0.818 | S | S | * | * | trans | -116.8 | 144.7 | 166.9 | -85.4 | 166 | 0 | 0 | 0 | 110.2 | ||||
| 130 | P | 38.5 | Very low | 32.4 | Very low | 113 Ų | 113 | 145.3 Ų | 145.3 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | -85.4 | 150.1 | -161 | 33.3 | -36.6 | 0 | 0 | 0 | 114 | S132 | P130-S132 PolarHBondContact O-N 3.46Š| ||
| 131 | C | 26.5 | Very low | 32.8 | Very low | 137 Ų | 137 | 145.2 Ų | 145.2 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | trans | -70.1 | 113.2 | 165.3 | -104.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 132 | S | 30.2 | Very low | 33.6 | Very low | 104 Ų | 104 | 140.5 Ų | 140.5 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -89.1 | 137.4 | 165.7 | 48.1 | 0 | 0 | 0 | 0 | 110.9 | P130 | P130-S132 PolarHBondContact O-N 3.46Š| ||
| 133 | M | 36.5 | Very low | 33.8 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 86% | 0.862 | 81% | 0.812 | S | S | * | * | trans | -77.5 | 132.4 | 173.3 | -68.6 | -93.7 | 85.3 | 0 | 0 | 110.2 | ||||
| 134 | Q | 35.8 | Very low | 33.9 | Very low | 185 Ų | 185 | 140.5 Ų | 140.5 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -148.9 | 116.9 | 160.4 | -112 | 156.1 | 23.6 | 0 | 0 | 113.4 | ||||
| 135 | S | 30.6 | Very low | 34.4 | Very low | 109 Ų | 109 | 140.7 Ų | 140.7 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | 32 | 122.3 | 149.6 | -158.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 136 | L | 34.7 | Very low | 34.8 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | trans | -28.5 | 137.9 | 142.5 | -69.1 | 149.6 | 0 | 0 | 0 | 114.7 | ||||
| 137 | Q | 32.9 | Very low | 34.7 | Very low | 200 Ų | 200 | 139.1 Ų | 139.1 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | trans | -152.9 | 150.5 | 136.2 | -111.7 | 169.5 | 17.5 | 0 | 0 | 110.9 | ||||
| 138 | S | 33.2 | Very low | 34.8 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -106.5 | 136.3 | -163 | 51.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 139 | S | 29.4 | Very low | 34.6 | Very low | 122 Ų | 122 | 135.3 Ų | 135.3 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -167.9 | 152 | 150.2 | 45 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 140 | C | 31.3 | Very low | 34.6 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | trans | -143.3 | 172.6 | 171.5 | -73.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 141 | P | 48.1 | Very low | 34.2 | Very low | 117 Ų | 117 | 138 Ų | 138 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | cis | -105.1 | -102 | -15.6 | 26.1 | -3.7 | 0 | 0 | 0 | 108.9 | ||||
| 142 | P | 46.9 | Very low | 34.4 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | cis | -103 | 177.8 | -11.2 | 37.9 | -25.1 | 0 | 0 | 0 | 114.2 | ||||
| 143 | T | 32.9 | Very low | 35 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -92.6 | 148.8 | 178.2 | -41.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 144 | Y | 32 | Very low | 34.9 | Very low | 216 Ų | 216 | 135.5 Ų | 135.5 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | -142.5 | 145.6 | 161.5 | -163 | -105.8 | 0 | 0 | 0 | 112.5 | ||||
| 145 | V | 39.1 | Very low | 34.5 | Very low | 107 Ų | 107 | 131.4 Ų | 131.4 | 65% | 0.648 | 81% | 0.808 | S | S | * | * | trans | -127.5 | 153.5 | -177.5 | -154.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 146 | P | 44.7 | Very low | 34.9 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | trans | -125.7 | 147.1 | 147.3 | 33.4 | -22.8 | 0 | 0 | 0 | 113 | ||||
| 147 | A | 30.2 | Very low | 35.6 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -94.6 | 164 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 148 | V | 33.1 | Very low | 35.5 | Very low | 136 Ų | 136 | 126.7 Ų | 126.7 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -64.4 | 148.3 | 170.5 | -86.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 149 | S | 28.6 | Very low | 35.3 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 80% | 0.804 | S | S | * | * | trans | -173.2 | 131.9 | 130.7 | -83.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 150 | Y | 31.4 | Very low | 35.3 | Very low | 224 Ų | 224 | 131.7 Ų | 131.7 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | trans | 10.6 | 133.8 | 150.1 | -57 | -88.4 | 0 | 0 | 0 | 122.2 | ||||
| 151 | A | 29.6 | Very low | 35.5 | Very low | 101 Ų | 101 | 132 Ų | 132 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | 176.2 | 156.3 | 96.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 152 | A | 31.2 | Very low | 34.6 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -95.5 | 174.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 153 | P | 43.4 | Very low | 33.9 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -133.1 | 157 | 134.2 | 37.2 | -27.6 | 0 | 0 | 0 | 114.6 | ||||
| 154 | T | 32.7 | Very low | 33.8 | Very low | 140 Ų | 140 | 132.2 Ų | 132.2 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | trans | -109.9 | 140.9 | -179 | -26.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 155 | A | 28.8 | Very low | 33.7 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -165.1 | 139 | 154.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 156 | M | 38.3 | Very low | 33.4 | Very low | 177 Ų | 177 | 129 Ų | 129 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | trans | -114 | 161.6 | 170.5 | -69.8 | -80.1 | -166.5 | 0 | 0 | 108.5 | ||||
| 157 | P | 49.2 | Very low | 32.8 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 87% | 0.87 | 83% | 0.826 | S | S | * | * | -141.2 | 176.2 | 80.9 | 33.2 | -14.1 | 0 | 0 | 0 | 112.9 | |||||
| 158 | G | 31.5 | Very low | 32.9 | Very low | 61 Ų | 61 | 133.6 Ų | 133.6 | 63% | 0.629 | 82% | 0.823 | S | S | * | * | cis | 157.8 | 126.7 | -6.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 159 | F | 27.8 | Very low | 32.9 | Very low | 201 Ų | 201 | 134.5 Ų | 134.5 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | 67 | 149.4 | 173.8 | -63 | -88.6 | 0 | 0 | 0 | 117 | ||||
| 160 | V | 30.9 | Very low | 33 | Very low | 139 Ų | 139 | 137 Ų | 137 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | cis | -140.7 | 174 | 32.1 | -139.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 161 | T | 34.7 | Very low | 33.1 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | trans | -78.4 | 156.7 | -168.1 | 45 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 162 | G | 28.6 | Very low | 33.2 | Very low | 78 Ų | 78 | 141.3 Ų | 141.3 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | -177.4 | 85.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 163 | H | 33.3 | Very low | 33.1 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 82% | 0.824 | 82% | 0.818 | S | S | * | * | trans | -5.3 | 133.5 | 164.1 | -79.8 | -104.8 | 0 | 0 | 0 | 124.3 | ||||
| 164 | S | 31.3 | Very low | 32.3 | Very low | 115 Ų | 115 | 146.5 Ų | 146.5 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | 65.5 | 125.5 | 127.6 | -55.1 | 0 | 0 | 0 | 0 | 123 | |||||
| 165 | G | 29.4 | Very low | 32.1 | Very low | 82 Ų | 82 | 144.4 Ų | 144.4 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | 163.6 | 86.5 | 159 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 166 | L | 33.1 | Very low | 32.1 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -90.4 | 129.8 | 167.7 | -88.6 | 165.6 | 0 | 0 | 0 | 110.7 | ||||
| 167 | V | 31.4 | Very low | 31.6 | Very low | 147 Ų | 147 | 142.5 Ų | 142.5 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | trans | -139.3 | 142.1 | 160.3 | -172.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 168 | H | 32.8 | Very low | 31.2 | Very low | 162 Ų | 162 | 142.3 Ų | 142.3 | 75% | 0.75 | 81% | 0.805 | S | S | * | * | trans | -94 | 174.5 | -174.4 | -124.8 | 75.1 | 0 | 0 | 0 | 112.6 | ||||
| 169 | Q | 31.8 | Very low | 31 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 73% | 0.729 | 81% | 0.811 | S | S | * | * | trans | 69.9 | 150.5 | 156.7 | -92.9 | 170.7 | -58.6 | 0 | 0 | 118 | ||||
| 170 | Q | 31.2 | Very low | 31 | Very low | 156 Ų | 156 | 142.4 Ų | 142.4 | 73% | 0.729 | 81% | 0.812 | S | S | * | * | cis | -154.4 | 157.7 | -7.1 | -162.6 | 157.5 | -5.5 | 0 | 0 | 111 | ||||
| 171 | Q | 34.9 | Very low | 31 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -62.1 | 147.3 | 166.3 | -71.7 | 149.6 | -57.5 | 0 | 0 | 112.3 | ||||
| 172 | R | 30.3 | Very low | 31.1 | Very low | 244 Ų | 244 | 145.1 Ų | 145.1 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -114.9 | 121.9 | 154.9 | -105.5 | -167.3 | -73.7 | -104.7 | 2.6 | 109.7 | ||||
| 173 | Q | 29.9 | Very low | 31.4 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -88.9 | 151.1 | 163.3 | -64.2 | -166.5 | -2.3 | 0 | 0 | 109.7 | ||||
| 174 | L | 27.3 | Very low | 31.3 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | trans | -139 | 110.9 | 155.2 | -77.2 | 176.7 | 0 | 0 | 0 | 108.7 | ||||
| 175 | S | 27.1 | Very low | 31.4 | Very low | 95 Ų | 95 | 153.1 Ų | 153.1 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | trans | -88.8 | 159.2 | 160.1 | -50 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 176 | P | 30.2 | Very low | 31.5 | Very low | 127 Ų | 127 | 154.1 Ų | 154.1 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -134.2 | 160.4 | 132.5 | 27.4 | -11.3 | 0 | 0 | 0 | 113.5 | ||||
| 177 | S | 27.6 | Very low | 31.5 | Very low | 110 Ų | 110 | 154.7 Ų | 154.7 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -148.1 | 178.3 | 174.2 | -53.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 178 | P | 40.4 | Very low | 31.6 | Very low | 129 Ų | 129 | 155 Ų | 155 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | -125.2 | 169.9 | -78.8 | 37.9 | -24.4 | 0 | 0 | 0 | 113.4 | |||||
| 179 | G | 26.2 | Very low | 31.5 | Very low | 73 Ų | 73 | 155.8 Ų | 155.8 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | 110.6 | 120.4 | 157.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 180 | E | 28.3 | Very low | 31.2 | Very low | 192 Ų | 192 | 152 Ų | 152 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | 176 | 132.4 | 107.7 | -92.4 | -175.7 | 173.9 | 0 | 0 | 110.4 | |||||
| 181 | D | 32 | Very low | 31 | Very low | 169 Ų | 169 | 152 Ų | 152 | 90% | 0.904 | 81% | 0.808 | S | S | * | * | trans | -91.4 | 126.7 | -176.4 | -73.3 | -68.3 | 0 | 0 | 0 | 111.9 | ||||
| 182 | I | 37.1 | Very low | 30.7 | Very low | 157 Ų | 157 | 152 Ų | 152 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -128.3 | 120.5 | 168.2 | -54.8 | -179.3 | 0 | 0 | 0 | 109.6 | ||||
| 183 | P | 33.5 | Very low | 30.6 | Very low | 90 Ų | 90 | 145.6 Ų | 145.6 | 58% | 0.584 | 80% | 0.796 | S | S | * | * | trans | -76.3 | 145.8 | -174.8 | 29.1 | -34.1 | 0 | 0 | 0 | 113.9 | W185 | P183-W185 VanDerWaalsContact C-N 3.28Å; P183-W185 PolarHBondContact O-N 3.16Å | ||
| 184 | W | 32.2 | Very low | 30.6 | Very low | 249 Ų | 249 | 143.7 Ų | 143.7 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -74.9 | 15.1 | -162.6 | 59.2 | -88.5 | 0 | 0 | 0 | 117.7 | ||
| 185 | W | 33.6 | Very low | 30.8 | Very low | 200 Ų | 200 | 143.4 Ų | 143.4 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | trans | -114.5 | 78.8 | 177.6 | 67 | -85.4 | 0 | 0 | 0 | 111.7 | P183 | P183-W185 VanDerWaalsContact C-N 3.28Å; P183-W185 PolarHBondContact O-N 3.16Å | ||
| 186 | S | 30.8 | Very low | 30.9 | Very low | 102 Ų | 102 | 147.2 Ų | 147.2 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -161.2 | 84.9 | 168.4 | -82.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 187 | L | 33.2 | Very low | 30.8 | Very low | 185 Ų | 185 | 148.8 Ų | 148.8 | 97% | 0.969 | 80% | 0.797 | S | S | * | * | -168.8 | 151.5 | 125.3 | -126.2 | 74.6 | 0 | 0 | 0 | 110.3 | |||||
| 188 | Q | 32.3 | Very low | 30.9 | Very low | 155 Ų | 155 | 148 Ų | 148 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | trans | -125 | 133.7 | -164.4 | 179.4 | 172.4 | -21.8 | 0 | 0 | 112 | ||||
| 189 | Q | 30.9 | Very low | 30.4 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | trans | 64 | 131.1 | 158.6 | -71 | 170.8 | 19.4 | 0 | 0 | 120.7 | ||||
| 190 | G | 25.8 | Very low | 30.6 | Very low | 77 Ų | 77 | 151 Ų | 151 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -171.3 | 121.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 191 | N | 28.3 | Very low | 30.8 | Very low | 155 Ų | 155 | 148.6 Ų | 148.6 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -68.7 | 150.6 | -176.2 | -71.1 | -39.3 | 0 | 0 | 0 | 112.6 | ||||
| 192 | H | 27.8 | Very low | 30.7 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | -178.6 | 133.2 | 112.8 | -108.5 | -111.6 | 0 | 0 | 0 | 115 | |||||
| 193 | V | 28.8 | Very low | 30.8 | Very low | 108 Ų | 108 | 147 Ų | 147 | 66% | 0.655 | 78% | 0.782 | S | S | * | * | trans | 54.3 | 118.1 | 144.5 | 179.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 194 | S | 29.3 | Very low | 30.7 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -70 | 125.5 | 167.1 | -52.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 195 | H | 30.3 | Very low | 30.9 | Very low | 166 Ų | 166 | 141.9 Ų | 141.9 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -106.8 | 117.5 | 157.6 | -102.2 | -84.2 | 0 | 0 | 0 | 110.5 | H197 | H195-H197 PolarHBondContact O-N 3.49Š| ||
| 196 | H | 30.5 | Very low | 31.2 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 81% | 0.81 | 78% | 0.784 | S | S | * | * | trans | -81.9 | 100.2 | 175.7 | -152.9 | -84.9 | 0 | 0 | 0 | 109 | ||||
| 197 | H | 28.6 | Very low | 31.4 | Very low | 159 Ų | 159 | 145 Ų | 145 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -98.3 | 102.4 | 172.6 | -116.2 | 90.6 | 0 | 0 | 0 | 110.4 | H195 I199 | H195-H197 PolarHBondContact O-N 3.49Å; H197-I199 PolarHBondContact O-N 3.24Å; H197-I199 VanDerWaalsContact O-N 3.13Å | ||
| 198 | S | 27.8 | Very low | 31.4 | Very low | 94 Ų | 94 | 147.4 Ų | 147.4 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | trans | -71.2 | 99.3 | 172.1 | -59.2 | 0 | 0 | 0 | 0 | 109.6 | T200 | S198-T200 PolarHBondContact O-N 3.44Š| ||
| 199 | I | 31.7 | Very low | 31.4 | Very low | 145 Ų | 145 | 149.2 Ų | 149.2 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | -88.3 | 104.1 | 175.6 | -60.7 | 177.9 | 0 | 0 | 0 | 109.3 | H197 T201 | H197-I199 PolarHBondContact O-N 3.24Å; H197-I199 VanDerWaalsContact O-N 3.13Å; I199-T201 PolarHBondContact O-N 3.16Å | ||
| 200 | T | 28.8 | Very low | 31.5 | Very low | 121 Ų | 121 | 147.4 Ų | 147.4 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | trans | -59.8 | 123.4 | 171.6 | -27.9 | 0 | 0 | 0 | 0 | 109.8 | S198 Q202 | S198-T200 PolarHBondContact O-N 3.44Å; T200-Q202 PolarHBondContact O-N 3.47Å | ||
| 201 | T | 33.2 | Very low | 32 | Very low | 140 Ų | 140 | 151.8 Ų | 151.8 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -76.2 | 93.2 | 179.9 | 51.8 | 0 | 0 | 0 | 0 | 111.2 | I199 | I199-T201 PolarHBondContact O-N 3.16Š| ||
| 202 | Q | 30.5 | Very low | 32.3 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -107.9 | 147.3 | 161.8 | -71.4 | -168.5 | 3.7 | 0 | 0 | 111.4 | T200 L204 | T200-Q202 PolarHBondContact O-N 3.47Å; Q202-L204 PolarHBondContact O-N 3.01Å | ||
| 203 | S | 37.9 | Very low | 32.8 | Very low | 122 Ų | 122 | 155.3 Ų | 155.3 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -47.9 | 107.1 | -167.6 | 179.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 204 | L | 32.7 | Very low | 33.2 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -124.7 | 94.7 | 155.3 | -89.2 | 166.5 | 0 | 0 | 0 | 109.6 | Q202 | Q202-L204 PolarHBondContact O-N 3.01Š| ||
| 205 | G | 36.2 | Very low | 33.7 | Very low | 61 Ų | 61 | 155.8 Ų | 155.8 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | trans | -68.5 | 149.6 | 165 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 206 | H | 39.4 | Very low | 34.3 | Very low | 171 Ų | 171 | 155 Ų | 155 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 57.2 | 83.1 | 175.9 | -83.2 | -131.6 | 0 | 0 | 0 | 115.8 | ||
| 207 | H | 36 | Very low | 35.3 | Very low | 195 Ų | 195 | 150.8 Ų | 150.8 | 90% | 0.903 | 79% | 0.786 | S | S | * | * | -178.2 | 101.1 | 128 | -108.8 | -86.2 | 0 | 0 | 0 | 111.7 | |||||
| 208 | R | 31.9 | Very low | 36.1 | Very low | 237 Ų | 237 | 144.6 Ų | 144.6 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | trans | -162.8 | 152 | 152.9 | -129.6 | 169.9 | 178.1 | 152.8 | 0.2 | 112.5 | ||||
| 209 | F | 32.1 | Very low | 37.3 | Very low | 192 Ų | 192 | 148.9 Ų | 148.9 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 72.2 | 113.8 | -166.5 | -59.4 | -79.6 | 0 | 0 | 0 | 113 | ||
| 210 | Q | 34.9 | Very low | 38.4 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | cis | -138.1 | 138.4 | 14.4 | -63 | -173.5 | -12.6 | 0 | 0 | 113.2 | ||||
| 211 | L | 35.8 | Very low | 39.8 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 89% | 0.89 | 75% | 0.75 | S | S | * | * | trans | -105.8 | 112.4 | 151.4 | -85 | 169.2 | 0 | 0 | 0 | 107.1 | ||||
| 212 | Q | 35 | Very low | 41.1 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | 177.9 | 137 | 122.9 | -99.5 | 179.9 | -3.1 | 0 | 0 | 112.5 | |||||
| 213 | R | 36.4 | Very low | 42.6 | Very low | 239 Ų | 239 | 137 Ų | 137 | 90% | 0.902 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 78 | 108.3 | 162.2 | -63.9 | 173.2 | 175.8 | 172.3 | -1.9 | 118.8 | ||
| 214 | G | 37.7 | Very low | 43.8 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 111.5 | 104.8 | 152.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 215 | L | 40.9 | Very low | 45.4 | Very low | 167 Ų | 167 | 131 Ų | 131 | 87% | 0.874 | 67% | 0.666 | S | S | * | * | trans | 47.2 | 114.7 | 165.2 | -66.5 | 164.5 | 0 | 0 | 0 | 117.1 | M217 | L215-M217 PolarHBondContact O-N 3.36Š| ||
| 216 | V | 42.6 | Very low | 46.8 | Very low | 149 Ų | 149 | 130 Ų | 130 | 90% | 0.903 | 65% | 0.645 | S | S | * | * | trans | -65.2 | 101.8 | 162 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 217 | M | 50.9 | Low | 48.2 | Very low | 87 Ų | 87 | 126.5 Ų | 126.5 | 43% | 0.429 | 64% | 0.636 | S | S | . | * | trans | -59.6 | 138.9 | 171.3 | -73.1 | -156 | -55.6 | 0 | 0 | 109.5 | L215 D221 F222 Y225 | L215-M217 PolarHBondContact O-N 3.36Å; M217-D221 HydrophobicContact CB-CB 4.15Å; M217-D221 HydrophobicContact SD-CB 4.47Å; M217-F222 HydrophobicContact CE-CD2 4.41Å; M217-Y225 HydrophobicContact CE-CD1 4.18Å; M217-Y225 HydrophobicContact CE-CD2 4.13Å; M217-Y225 HydrophobicContact CE-CG 3.88Å | ||
| 218 | G | 46.7 | Very low | 49.7 | Very low | 29 Ų | 29 | 123.1 Ų | 123.1 | 30% | 0.299 | 62% | 0.62 | S | S | . | * | trans | -60.5 | 156.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T220 D221 F222 | G218-T220 PolarHBondContact O-N 3.46Å; G218-T220 VanDerWaalsContact O-N 3.12Å; G218-D221 PolarHBondContact N-OD2 2.79Å; G218-D221 PolarHBondContact O-N 3.37Å; G218-F222 PolarHBondContact O-N 2.97Å | ||
| 219 | H | 51.3 | Low | 51.5 | Low | 184 Ų | 184 | 112 Ų | 112 | 85% | 0.852 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -56.5 | -30.4 | 177.3 | -77.9 | -88 | 0 | 0 | 0 | 112.5 | A223 | H219-A223 WeakPolarHBondContact O-CB 3.22Å; H219-A223 PolarHBondContact O-N 2.03Å |
| 220 | T | 55.1 | Low | 53.3 | Low | 92 Ų | 92 | 104.2 Ų | 104.2 | 56% | 0.564 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.5 | -46.5 | 170.9 | 47.2 | 0 | 0 | 0 | 0 | 112.7 | G218 A223 Q224 | G218-T220 PolarHBondContact O-N 3.46Å; G218-T220 VanDerWaalsContact O-N 3.12Å; T220-A223 PolarHBondContact O-N 2.96Å; T220-Q224 WeakPolarHBondContact O-CG 3.42Å; T220-Q224 PolarHBondContact O-N 2.89Å |
| 221 | D | 58.1 | Low | 55 | Low | 74 Ų | 74 | 100 Ų | 100 | 40% | 0.396 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -74.8 | -36.1 | -172.3 | -43.3 | -25.8 | 0 | 0 | 0 | 110.1 | M217 G218 Q224 Y225 | M217-D221 HydrophobicContact CB-CB 4.15Å; M217-D221 HydrophobicContact SD-CB 4.47Å; G218-D221 PolarHBondContact N-OD2 2.79Å; G218-D221 PolarHBondContact O-N 3.37Å; D221-Q224 PolarHBondContact O-N 3.12Å; D221-Y225 WeakPolarHBondContact O-CB 3.48Å; D221-Y225 PolarHBondContact O-N 3.26Å |
| 222 | F | 60.9 | Low | 56.7 | Low | 111 Ų | 111 | 96.2 Ų | 96.2 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -41.7 | 171.1 | -174.3 | -98.1 | 0 | 0 | 0 | 112 | M217 G218 Y225 Q226 | M217-F222 HydrophobicContact CE-CD2 4.41Å; G218-F222 PolarHBondContact O-N 2.97Å; F222-Y225 PolarHBondContact O-N 2.83Å; F222-Q226 HydrophobicContact CD1-CG 4.18Å; F222-Q226 HydrophobicContact CE1-CG 3.81Å; F222-Q226 HydrophobicContact CZ-CG 4.01Å; F222-Q226 WeakPolarHBondContact O-CG 3.3Å; F222-Q226 PolarHBondContact O-N 3.08Å |
| 223 | A | 61.2 | Low | 58.3 | Low | 52 Ų | 52 | 89 Ų | 89 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | H219 T220 Y225 Q226 T227 | H219-A223 WeakPolarHBondContact O-CB 3.22Å; H219-A223 PolarHBondContact O-N 2.03Å; T220-A223 PolarHBondContact O-N 2.96Å; A223-Y225 VanDerWaalsContact C-N 3.35Å; A223-Y225 PolarHBondContact O-N 2.92Å; A223-Q226 PolarHBondContact O-N 3.17Å; A223-T227 PolarHBondContact O-N 3.05Å; A223-T227 PolarHBondContact O-OG1 2.8Å |
| 224 | Q | 64 | Low | 59.6 | Low | 118 Ų | 118 | 84 Ų | 84 | 55% | 0.551 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60.4 | -42.4 | 175.5 | -70.7 | 179.2 | 16.2 | 0 | 0 | 112.3 | T220 D221 T227 Q228 | T220-Q224 WeakPolarHBondContact O-CG 3.42Å; T220-Q224 PolarHBondContact O-N 2.89Å; D221-Q224 PolarHBondContact O-N 3.12Å; Q224-T227 PolarHBondContact O-N 3.27Å; Q224-Q228 VanDerWaalsContact O-CG 3.31Å; Q224-Q228 WeakPolarHBondContact O-CG 3.47Å; Q224-Q228 PolarHBondContact O-N 2.62Å |
| 225 | Y | 65.6 | Low | 60.4 | Low | 46 Ų | 46 | 83.6 Ų | 83.6 | 18% | 0.18 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 175 | 170.5 | -95.5 | 0 | 0 | 0 | 112 | M217 D221 F222 A223 Q228 I229 I272 H292 | M217-Y225 HydrophobicContact CE-CD1 4.18Å; M217-Y225 HydrophobicContact CE-CD2 4.13Å; M217-Y225 HydrophobicContact CE-CG 3.88Å; D221-Y225 WeakPolarHBondContact O-CB 3.48Å; D221-Y225 PolarHBondContact O-N 3.26Å; F222-Y225 PolarHBondContact O-N 2.83Å; A223-Y225 VanDerWaalsContact C-N 3.35Å; A223-Y225 PolarHBondContact O-N 2.92Å; Y225-Q228 PolarHBondContact O-N 3.01Å; Y225-I229 HydrophobicContact CD1-CD1 3.7Å; Y225-I229 HydrophobicContact CD2-CD1 4.25Å; Y225-I229 HydrophobicContact CE1-CD1 3.37Å; Y225-I229 HydrophobicContact CE2-CD1 3.97Å; Y225-I229 HydrophobicContact CG-CD1 4.14Å; Y225-I229 WeakPolarHBondContact O-CD1 3.46Å; Y225-I229 VanDerWaalsContact O-CG1 3.3Å; Y225-I229 WeakPolarHBondContact O-CG1 3.34Å; Y225-I229 PolarHBondContact O-N 2.92Å; Y225-I272 HydrophobicContact CE2-CG2 3.77Å; Y225-H292 WeakPolarHBondContact OH-CB 3.11Å; Y225-H292 PolarHBondContact OH-ND1 3.29Å |
| 226 | Q | 66.1 | Low | 60.6 | Low | 41 Ų | 41 | 85.1 Ų | 85.1 | 19% | 0.192 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.5 | -44.2 | 174.3 | -72.6 | -64.3 | -17.3 | 0 | 0 | 111.8 | F222 A223 Q228 I229 A230 S293 | F222-Q226 HydrophobicContact CD1-CG 4.18Å; F222-Q226 HydrophobicContact CE1-CG 3.81Å; F222-Q226 HydrophobicContact CZ-CG 4.01Å; F222-Q226 WeakPolarHBondContact O-CG 3.3Å; F222-Q226 PolarHBondContact O-N 3.08Å; A223-Q226 PolarHBondContact O-N 3.17Å; Q226-Q228 PolarHBondContact O-N 3.14Å; Q226-I229 PolarHBondContact O-N 2.88Å; Q226-A230 WeakPolarHBondContact O-CB 3.01Å; Q226-A230 PolarHBondContact O-N 2.87Å; Q226-S293 PolarHBondContact NE2-O 3.35Å; Q226-S293 PolarHBondContact OE1-O 3.42Å; Q226-S293 VanDerWaalsContact OE1-O 3.09Å; Q226-S293 PolarHBondContact OE1-OG 2.82Å; Q226-S293 VanDerWaalsContact OE1-OG 3.05Å |
| 227 | T | 69.4 | Low | 60.4 | Low | 98 Ų | 98 | 80.6 Ų | 80.6 | 60% | 0.601 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61.2 | -41.3 | 176.4 | -54 | 0 | 0 | 0 | 0 | 112.2 | A223 Q224 A230 A231 | A223-T227 PolarHBondContact O-N 3.05Å; A223-T227 PolarHBondContact O-OG1 2.8Å; Q224-T227 PolarHBondContact O-N 3.27Å; T227-A230 PolarHBondContact O-N 2.97Å; T227-A231 WeakPolarHBondContact O-CB 3.25Å; T227-A231 PolarHBondContact O-N 2.82Å |
| 228 | Q | 67.8 | Low | 59.9 | Low | 123 Ų | 123 | 81.4 Ų | 81.4 | 58% | 0.575 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.9 | -41.3 | 175.7 | -72.9 | 174.4 | 27.7 | 0 | 0 | 112 | Q224 Y225 Q226 A231 L232 | Q224-Q228 VanDerWaalsContact O-CG 3.31Å; Q224-Q228 WeakPolarHBondContact O-CG 3.47Å; Q224-Q228 PolarHBondContact O-N 2.62Å; Y225-Q228 PolarHBondContact O-N 3.01Å; Q226-Q228 PolarHBondContact O-N 3.14Å; Q228-A231 PolarHBondContact O-N 2.79Å; Q228-L232 WeakPolarHBondContact O-CG 3.43Å; Q228-L232 PolarHBondContact O-N 3.02Å; Q228-L232 VanDerWaalsContact O-N 3.07Å |
| 229 | I | 70.1 | Confident | 59.7 | Low | 3 Ų | 3 | 86.5 Ų | 86.5 | 2% | 0.015 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -70.6 | -42.4 | 178.2 | -59.1 | 158 | 0 | 0 | 0 | 111 | Y225 Q226 A231 L232 L233 I272 L289 H292 | Y225-I229 HydrophobicContact CD1-CD1 3.7Å; Y225-I229 HydrophobicContact CD2-CD1 4.25Å; Y225-I229 HydrophobicContact CE1-CD1 3.37Å; Y225-I229 HydrophobicContact CE2-CD1 3.97Å; Y225-I229 HydrophobicContact CG-CD1 4.14Å; Y225-I229 WeakPolarHBondContact O-CD1 3.46Å; Y225-I229 VanDerWaalsContact O-CG1 3.3Å; Y225-I229 WeakPolarHBondContact O-CG1 3.34Å; Y225-I229 PolarHBondContact O-N 2.92Å; Q226-I229 PolarHBondContact O-N 2.88Å; I229-A231 VanDerWaalsContact C-N 3.26Å; I229-A231 PolarHBondContact O-N 2.74Å; I229-L232 PolarHBondContact O-N 3.29Å; I229-L232 VanDerWaalsContact O-N 3.07Å; I229-L233 HydrophobicContact CG2-CD1 3.92Å; I229-L233 HydrophobicContact CG2-CG 4.27Å; I229-L233 WeakPolarHBondContact O-CG 3.44Å; I229-L233 PolarHBondContact O-N 3.3Å; I229-I272 HydrophobicContact CD1-CD1 4.14Å; I229-I272 HydrophobicContact CG1-CD1 3.94Å; I229-L289 HydrophobicContact CG2-CB 4.13Å; I229-L289 WeakPolarHBondContact CG2-O 3.47Å; I229-H292 HydrophobicContact CD1-CB 3.65Å; I229-H292 HydrophobicContact CG1-CB 4.46Å |
| 230 | A | 69.6 | Low | 59.1 | Low | 30 Ų | 30 | 81.5 Ų | 81.5 | 25% | 0.248 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -58 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q226 T227 L233 H234 | Q226-A230 WeakPolarHBondContact O-CB 3.01Å; Q226-A230 PolarHBondContact O-N 2.87Å; T227-A230 PolarHBondContact O-N 2.97Å; A230-L233 PolarHBondContact O-N 3.42Å; A230-H234 WeakPolarHBondContact O-CB 3.45Å; A230-H234 PolarHBondContact O-N 2.73Å; A230-H234 PolarHBondContact O-ND1 3.17Å |
| 231 | A | 69.9 | Low | 58.4 | Low | 51 Ų | 51 | 82.8 Ų | 82.8 | 42% | 0.421 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.6 | -44.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T227 Q228 I229 L233 T235 | T227-A231 WeakPolarHBondContact O-CB 3.25Å; T227-A231 PolarHBondContact O-N 2.82Å; Q228-A231 PolarHBondContact O-N 2.79Å; I229-A231 VanDerWaalsContact C-N 3.26Å; I229-A231 PolarHBondContact O-N 2.74Å; A231-L233 VanDerWaalsContact C-N 3.29Å; A231-L233 PolarHBondContact O-N 3.24Å; A231-T235 VanDerWaalsContact O-CB 3.24Å; A231-T235 WeakPolarHBondContact O-CB 3.23Å; A231-T235 WeakPolarHBondContact O-CG2 3.35Å; A231-T235 PolarHBondContact O-N 3.29Å; A231-T235 PolarHBondContact O-OG1 2.89Å |
| 232 | L | 71.8 | Confident | 57.5 | Low | 89 Ų | 89 | 83.1 Ų | 83.1 | 47% | 0.466 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.4 | -28.2 | 176.1 | -66.8 | 171.4 | 0 | 0 | 0 | 113.5 | Q228 I229 L289 | Q228-L232 WeakPolarHBondContact O-CG 3.43Å; Q228-L232 PolarHBondContact O-N 3.02Å; Q228-L232 VanDerWaalsContact O-N 3.07Å; I229-L232 PolarHBondContact O-N 3.29Å; I229-L232 VanDerWaalsContact O-N 3.07Å; L232-L289 HydrophobicContact CB-CD1 3.82Å; L232-L289 HydrophobicContact CD1-CD1 4.35Å; L232-L289 HydrophobicContact CD1-CD2 4.37Å |
| 233 | L | 69 | Low | 56.7 | Low | 14 Ų | 14 | 89.2 Ų | 89.2 | 7% | 0.073 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -78.6 | -49.3 | 176.3 | -70.1 | 173 | 0 | 0 | 0 | 111.8 | I229 A230 A231 K286 L289 R290 E295 | I229-L233 HydrophobicContact CG2-CD1 3.92Å; I229-L233 HydrophobicContact CG2-CG 4.27Å; I229-L233 WeakPolarHBondContact O-CG 3.44Å; I229-L233 PolarHBondContact O-N 3.3Å; A230-L233 PolarHBondContact O-N 3.42Å; A231-L233 VanDerWaalsContact C-N 3.29Å; A231-L233 PolarHBondContact O-N 3.24Å; L233-K286 HydrophobicContact CD2-CB 4.27Å; L233-K286 VanDerWaalsContact CD2-O 3.26Å; L233-K286 WeakPolarHBondContact CD2-O 3.27Å; L233-K286 PolarHBondContact O-NZ 2.86Å; L233-L289 HydrophobicContact CD2-CB 3.77Å; L233-L289 HydrophobicContact CG-CB 4.25Å; L233-R290 HydrophobicContact CD1-CG 4.03Å; L233-R290 HydrophobicContact CD2-CG 3.95Å; L233-E295 WeakPolarHBondContact CD1-OE2 3.27Å |
| 234 | H | 63.9 | Low | 56.1 | Low | 134 Ų | 134 | 96.8 Ų | 96.8 | 62% | 0.62 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -91.1 | -13 | -172.5 | -65.3 | 127.4 | 0 | 0 | 0 | 115.5 | A230 K236 E295 | A230-H234 WeakPolarHBondContact O-CB 3.45Å; A230-H234 PolarHBondContact O-N 2.73Å; A230-H234 PolarHBondContact O-ND1 3.17Å; H234-K236 PolarHBondContact O-N 2.64Å; H234-E295 IonicContact CE1-OE1 3.22Å; H234-E295 PolarHBondContact CE1-OE1 3.38Å; H234-E295 IonicContact CE1-OE2 3.99Å |
| 235 | T | 54.5 | Low | 55 | Low | 63 Ų | 63 | 94.6 Ų | 94.6 | 39% | 0.387 | 51% | 0.507 | S | S | . | . | trans | -60 | 111.9 | 166.3 | 44.5 | 0 | 0 | 0 | 0 | 110 | A231 S237 K286 | A231-T235 VanDerWaalsContact O-CB 3.24Å; A231-T235 WeakPolarHBondContact O-CB 3.23Å; A231-T235 WeakPolarHBondContact O-CG2 3.35Å; A231-T235 PolarHBondContact O-N 3.29Å; A231-T235 PolarHBondContact O-OG1 2.89Å; T235-S237 PolarHBondContact O-N 3.42Å; T235-K286 PolarHBondContact O-NZ 3.01Å | ||
| 236 | K | 44.6 | Very low | 54.4 | Low | 200 Ų | 200 | 103.1 Ų | 103.1 | 87% | 0.87 | 54% | 0.539 | S | S | * | . | trans | -55.6 | 113.5 | 145.2 | -67.5 | 177.4 | -177.8 | 174.6 | 0 | 104.5 | H234 | H234-K236 PolarHBondContact O-N 2.64Š| ||
| 237 | S | 36.9 | Very low | 53.7 | Low | 54 Ų | 54 | 112.5 Ų | 112.5 | 38% | 0.378 | 57% | 0.573 | S | S | . | * | trans | -52 | 137.4 | -166.1 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | T235 L239 A240 | T235-S237 PolarHBondContact O-N 3.42Å; S237-L239 PolarHBondContact O-N 2.78Å; S237-A240 WeakPolarHBondContact O-CB 3.24Å; S237-A240 PolarHBondContact O-N 3.27Å | ||
| 238 | P | 40.5 | Very low | 52.3 | Low | 104 Ų | 104 | 111.8 Ų | 111.8 | 68% | 0.675 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -53.7 | -24.7 | 171.8 | -27.2 | 35.3 | 0 | 0 | 0 | 113.3 | A240 T241 | P238-A240 PolarHBondContact O-N 3.03Å; P238-T241 PolarHBondContact O-N 3.14Å; P238-T241 VanDerWaalsContact O-N 3.12Å |
| 239 | L | 44.3 | Very low | 51.3 | Low | 135 Ų | 135 | 118 Ų | 118 | 71% | 0.707 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -56.6 | -13.9 | 170.4 | -70 | 114.7 | 0 | 0 | 0 | 115.2 | S237 | S237-L239 PolarHBondContact O-N 2.78Š|
| 240 | A | 38.1 | Very low | 50 | Low | 79 Ų | 79 | 122 Ų | 122 | 65% | 0.653 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -91.2 | -14.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | S237 P238 | S237-A240 WeakPolarHBondContact O-CB 3.24Å; S237-A240 PolarHBondContact O-N 3.27Å; P238-A240 PolarHBondContact O-N 3.03Å |
| 241 | T | 39.2 | Very low | 49.1 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 73% | 0.73 | 65% | 0.648 | S | S | * | * | trans | -103.8 | 12.1 | -179.9 | -33.8 | 0 | 0 | 0 | 0 | 112.8 | P238 R243 | P238-T241 PolarHBondContact O-N 3.14Å; P238-T241 VanDerWaalsContact O-N 3.12Å; T241-R243 PolarHBondContact O-N 2.77Å | ||
| 242 | A | 40.9 | Very low | 48 | Very low | 81 Ų | 81 | 131.5 Ų | 131.5 | 67% | 0.669 | 66% | 0.664 | S | S | * | * | trans | -71.3 | 73.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | R244 | A242-R244 PolarHBondContact O-N 2.82Š| ||
| 243 | R | 42.7 | Very low | 46.5 | Very low | 239 Ų | 239 | 131.7 Ų | 131.7 | 90% | 0.902 | 67% | 0.671 | S | S | * | * | trans | -61.4 | 89.8 | 159.1 | -79 | -168.3 | -179.5 | -150 | 2.5 | 107.1 | T241 C245 | T241-R243 PolarHBondContact O-N 2.77Å; R243-C245 PolarHBondContact O-N 2.74Å | ||
| 244 | R | 48.7 | Very low | 45.5 | Very low | 211 Ų | 211 | 139.8 Ų | 139.8 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | trans | -56.5 | 103.7 | 177.4 | -174.3 | 178 | -72 | -163.2 | -4 | 108 | A242 R246 | A242-R244 PolarHBondContact O-N 2.82Å; R244-R246 PolarHBondContact O-N 3.04Å | ||
| 245 | C | 41.8 | Very low | 44.5 | Very low | 73 Ų | 73 | 137.8 Ų | 137.8 | 49% | 0.493 | 71% | 0.71 | S | S | . | * | trans | -64 | 98 | 176.7 | -179.1 | 0 | 0 | 0 | 0 | 108.7 | R243 R247 C248 | R243-C245 PolarHBondContact O-N 2.74Å; C245-R247 PolarHBondContact O-N 2.93Å; C245-R247 VanDerWaalsContact O-N 3.1Å; C245-C248 HydrophobicContact CB-CB 3.94Å; C245-C248 WeakPolarHBondContact CB-SG 3.49Å; C245-C248 WeakPolarHBondContact SG-CB 3.48Å; C245-C248 PolarHBondContact SG-N 3.28Å; C245-C248 CovalentContact SG-SG 2.05Å; C245-C248 PolarHBondContact SG-SG 2.8Å | ||
| 246 | R | 52.4 | Low | 43.7 | Very low | 224 Ų | 224 | 140.1 Ų | 140.1 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.7 | 10.5 | 177.5 | -63.9 | -167.9 | -172.9 | -131 | 8.3 | 113.2 | R244 | R244-R246 PolarHBondContact O-N 3.04Š|
| 247 | R | 50.9 | Low | 43.3 | Very low | 238 Ų | 238 | 136.3 Ų | 136.3 | 90% | 0.898 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.3 | 19.2 | -173.3 | -145.8 | 68.3 | -177.1 | -177.4 | -0.5 | 115.8 | C245 | C245-R247 PolarHBondContact O-N 2.93Å; C245-R247 VanDerWaalsContact O-N 3.1Å |
| 248 | C | 40.5 | Very low | 43.4 | Very low | 84 Ų | 84 | 137.7 Ų | 137.7 | 57% | 0.568 | 73% | 0.732 | S | S | * | * | trans | -108.6 | 86.8 | 177.7 | -57.4 | 0 | 0 | 0 | 0 | 109.6 | C245 C250 | C245-C248 HydrophobicContact CB-CB 3.94Å; C245-C248 WeakPolarHBondContact CB-SG 3.49Å; C245-C248 WeakPolarHBondContact SG-CB 3.48Å; C245-C248 PolarHBondContact SG-N 3.28Å; C245-C248 CovalentContact SG-SG 2.05Å; C245-C248 PolarHBondContact SG-SG 2.8Å; C248-C250 VanDerWaalsContact C-N 3.25Å; C248-C250 PolarHBondContact O-N 3.2Å; C248-C250 VanDerWaalsContact O-N 3.15Å | ||
| 249 | R | 47.3 | Very low | 43.3 | Very low | 254 Ų | 254 | 139.8 Ų | 139.8 | 96% | 0.958 | 74% | 0.737 | S | S | * | * | trans | -87.9 | 62.5 | 176.2 | -166.9 | -174.5 | -88.2 | -143.5 | -0.7 | 110.1 | ||||
| 250 | C | 43 | Very low | 43.1 | Very low | 85 Ų | 85 | 139.3 Ų | 139.3 | 57% | 0.574 | 74% | 0.736 | S | S | * | * | trans | -103.2 | 133.2 | -178.2 | -55.1 | 0 | 0 | 0 | 0 | 110.5 | C248 N252 | C248-C250 VanDerWaalsContact C-N 3.25Å; C248-C250 PolarHBondContact O-N 3.2Å; C248-C250 VanDerWaalsContact O-N 3.15Å; C250-N252 PolarHBondContact O-N 2.82Å; C250-N252 VanDerWaalsContact O-N 3.15Å | ||
| 251 | P | 50.6 | Low | 43.6 | Very low | 143 Ų | 143 | 142.2 Ų | 142.2 | 93% | 0.929 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.7 | -2.4 | -172.9 | 28.7 | -35.4 | 0 | 0 | 0 | 115.4 | ||
| 252 | N | 47 | Very low | 43.8 | Very low | 139 Ų | 139 | 142.8 Ų | 142.8 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.7 | 42.3 | -176.6 | -157.4 | 9.9 | 0 | 0 | 0 | 113.6 | C250 | C250-N252 PolarHBondContact O-N 2.82Å; C250-N252 VanDerWaalsContact O-N 3.15Å |
| 253 | C | 40.7 | Very low | 44.7 | Very low | 92 Ų | 92 | 142.3 Ų | 142.3 | 62% | 0.622 | 74% | 0.744 | S | S | * | * | trans | -109.4 | 85.7 | 167.9 | -167 | 0 | 0 | 0 | 0 | 109.3 | S255 | C253-S255 PolarHBondContact O-N 3.08Š| ||
| 254 | Q | 47.2 | Very low | 45.4 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.864 | 74% | 0.738 | S | S | * | * | trans | -71.8 | 53.4 | 170.4 | -62.9 | -171.2 | 14 | 0 | 0 | 111.4 | S256 | Q254-S256 PolarHBondContact O-N 3.05Š| ||
| 255 | S | 42.3 | Very low | 46.2 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | trans | -71 | 110.1 | 158.8 | 58.5 | 0 | 0 | 0 | 0 | 107.1 | C253 T257 | C253-S255 PolarHBondContact O-N 3.08Å; S255-T257 PolarHBondContact O-N 3.33Å | ||
| 256 | S | 37.6 | Very low | 47.6 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | trans | -45 | 120.7 | -173.1 | 43.7 | 0 | 0 | 0 | 0 | 112.2 | Q254 S258 | Q254-S256 PolarHBondContact O-N 3.05Å; S256-S258 VanDerWaalsContact C-N 3.3Å; S256-S258 PolarHBondContact O-N 3.37Å | ||
| 257 | T | 37.8 | Very low | 49 | Very low | 120 Ų | 120 | 138 Ų | 138 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | trans | -65.2 | 92.5 | 166.2 | 40.6 | 0 | 0 | 0 | 0 | 108.4 | S255 N259 | S255-T257 PolarHBondContact O-N 3.33Å; T257-N259 PolarHBondContact O-N 3.2Å | ||
| 258 | S | 37.7 | Very low | 50.5 | Low | 82 Ų | 82 | 128.9 Ų | 128.9 | 57% | 0.573 | 71% | 0.705 | S | S | * | * | trans | -65.1 | 106 | 160.9 | 53.5 | 0 | 0 | 0 | 0 | 107.2 | S256 D260 | S256-S258 VanDerWaalsContact C-N 3.3Å; S256-S258 PolarHBondContact O-N 3.37Å; S258-D260 VanDerWaalsContact CB-OD2 3.31Å; S258-D260 WeakPolarHBondContact CB-OD2 3.31Å; S258-D260 PolarHBondContact O-N 3.33Å; S258-D260 PolarHBondContact OG-OD2 3.32Å | ||
| 259 | N | 38.5 | Very low | 52.6 | Low | 149 Ų | 149 | 128.4 Ų | 128.4 | 80% | 0.797 | 70% | 0.696 | S | S | * | * | trans | -68 | 77.4 | 166.6 | -67.4 | -27.3 | 0 | 0 | 0 | 107.5 | T257 E261 | T257-N259 PolarHBondContact O-N 3.2Å; N259-E261 VanDerWaalsContact C-N 3.25Å; N259-E261 PolarHBondContact O-N 3.24Å | ||
| 260 | D | 39.8 | Very low | 54.4 | Low | 125 Ų | 125 | 116.5 Ų | 116.5 | 67% | 0.668 | 65% | 0.651 | S | S | * | * | trans | -74.8 | 80.2 | 179.1 | -76 | -62.8 | 0 | 0 | 0 | 109.6 | S258 | S258-D260 VanDerWaalsContact CB-OD2 3.31Å; S258-D260 WeakPolarHBondContact CB-OD2 3.31Å; S258-D260 PolarHBondContact O-N 3.33Å; S258-D260 PolarHBondContact OG-OD2 3.32Å | ||
| 261 | E | 49.2 | Very low | 56.2 | Low | 139 Ų | 139 | 120.2 Ų | 120.2 | 65% | 0.65 | 66% | 0.66 | S | S | * | * | trans | -45.7 | 120.2 | 163.1 | -92.4 | -84.5 | 111.3 | 0 | 0 | 110.7 | N259 G263 | N259-E261 VanDerWaalsContact C-N 3.25Å; N259-E261 PolarHBondContact O-N 3.24Å; E261-G263 VanDerWaalsContact C-N 3.32Å; E261-G263 PolarHBondContact O-N 3.26Å | ||
| 262 | P | 44.3 | Very low | 57.5 | Low | 132 Ų | 132 | 114.3 Ų | 114.3 | 86% | 0.857 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 80.9 | -174.5 | 29.8 | -35.1 | 0 | 0 | 0 | 111.8 | ||
| 263 | G | 60.1 | Low | 58.9 | Low | 70 Ų | 70 | 113.5 Ų | 113.5 | 72% | 0.722 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 169.5 | -22.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | E261 K265 | E261-G263 VanDerWaalsContact C-N 3.32Å; E261-G263 PolarHBondContact O-N 3.26Å; G263-K265 PolarHBondContact O-N 3.37Å; G263-K265 VanDerWaalsContact O-N 3.17Å |
| 264 | K | 55.8 | Low | 60.5 | Low | 181 Ų | 181 | 113.8 Ų | 113.8 | 79% | 0.787 | 64% | 0.641 | S | S | * | * | trans | -77.6 | 105.2 | -178.2 | -82.1 | 176.1 | 179 | 166.4 | 0 | 112 | K266 | K264-K266 PolarHBondContact O-N 3.15Å; K264-K266 VanDerWaalsContact O-N 3.08Å | ||
| 265 | K | 65.7 | Low | 62.2 | Low | 193 Ų | 193 | 106.1 Ų | 106.1 | 84% | 0.839 | 61% | 0.608 | S | S | * | * | trans | -59 | 110.6 | 170.7 | -67.6 | 173.8 | -176.6 | 167.8 | 0 | 109.8 | G263 Q267 | G263-K265 PolarHBondContact O-N 3.37Å; G263-K265 VanDerWaalsContact O-N 3.17Å; K265-Q267 PolarHBondContact O-N 2.72Å | ||
| 266 | K | 71.9 | Confident | 64 | Low | 149 Ų | 149 | 104.1 Ų | 104.1 | 65% | 0.648 | 60% | 0.602 | S | S | * | * | trans | -57.6 | 121.7 | 179.3 | -167.3 | 165.4 | -171.2 | 162.3 | 0 | 110.6 | K264 | K264-K266 PolarHBondContact O-N 3.15Å; K264-K266 VanDerWaalsContact O-N 3.08Å | ||
| 267 | Q | 81.6 | Confident | 66.1 | Low | 133 Ų | 133 | 103.6 Ų | 103.6 | 62% | 0.621 | 59% | 0.586 | S | S | * | * | trans | -91.9 | 151.2 | 179.3 | -64 | -176.9 | -2.8 | 0 | 0 | 110.7 | K265 V278 | K265-Q267 PolarHBondContact O-N 2.72Å; Q267-V278 HydrophobicContact CB-CG1 3.79Å; Q267-V278 HydrophobicContact CG-CG1 4.26Å | ||
| 268 | H | 82.8 | Confident | 68.5 | Low | 47 Ų | 47 | 101.4 Ų | 101.4 | 22% | 0.218 | 57% | 0.572 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -122 | 108.6 | -177.4 | -59.8 | -74.5 | 0 | 0 | 0 | 109.5 | Y279 K281 T282 L285 | H268-Y279 WeakPolarHBondContact CB-O 3.4Å; H268-Y279 PolarHBondContact N-O 3.11Å; H268-Y279 PolarHBondContact O-N 2.85Å; H268-K281 VanDerWaalsContact CD2-C 3.45Å; H268-T282 PolarHBondContact CD2-N 2.82Å; H268-T282 VanDerWaalsContact CD2-N 3.33Å; H268-T282 WeakPolarHBondContact CE1-CG2 3.35Å; H268-T282 WeakPolarHBondContact NE2-CG2 3.35Å; H268-L285 HydrophobicContact CB-CB 4.12Å; H268-L285 HydrophobicContact CB-CD2 3.81Å |
| 269 | I | 83.8 | Confident | 70.8 | Confident | 75 Ų | 75 | 100 Ų | 100 | 39% | 0.385 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.3 | 139.3 | -173.7 | -49.6 | -178.3 | 0 | 0 | 0 | 110 | H271 V278 | I269-H271 PolarHBondContact O-CE1 3.41Å; I269-H271 PolarHBondContact O-N 2.79Å; I269-H271 PolarHBondContact O-ND1 2.99Å; I269-V278 HydrophobicContact CG1-CG1 4.22Å; I269-V278 HydrophobicContact CG1-CG2 4.11Å; I269-V278 HydrophobicContact CG2-CG2 4.32Å |
| 270 | C | 85.2 | Confident | 73 | Confident | 3 Ų | 3 | 95.7 Ų | 95.7 | 2% | 0.02 | 55% | 0.545 | C | S | . | . | trans | -78.3 | 109.9 | 167.1 | -169.2 | 0 | 0 | 0 | 0 | 109.3 | I272 G276 K277 L285 H288 | C270-I272 PolarHBondContact O-N 3.11Å; C270-G276 PolarHBondContact O-N 3.23Å; C270-K277 HydrophobicContact CB-CB 4.43Å; C270-K277 WeakPolarHBondContact CB-O 3.31Å; C270-K277 PolarHBondContact N-O 3.1Å; C270-L285 HydrophobicContact CB-CD1 3.84Å; C270-H288 PolarHBondContact SG-NE2 3.35Å | ||
| 271 | H | 80.4 | Confident | 75.1 | Confident | 164 Ų | 164 | 95.8 Ų | 95.8 | 76% | 0.759 | 54% | 0.54 | S | S | * | . | trans | -85.5 | 8.2 | -177.3 | -65.5 | 73.9 | 0 | 0 | 0 | 113 | I269 | I269-H271 PolarHBondContact O-CE1 3.41Å; I269-H271 PolarHBondContact O-N 2.79Å; I269-H271 PolarHBondContact O-ND1 2.99Å | ||
| 272 | I | 79.3 | Confident | 76.7 | Confident | 19 Ų | 19 | 93.2 Ų | 93.2 | 10% | 0.097 | 53% | 0.534 | C | S | . | . | S | Bend | trans | -69.3 | 129.4 | 177.2 | -69 | 173.2 | 0 | 0 | 0 | 109.2 | Y225 I229 C270 G274 C275 L289 H292 | Y225-I272 HydrophobicContact CE2-CG2 3.77Å; I229-I272 HydrophobicContact CD1-CD1 4.14Å; I229-I272 HydrophobicContact CG1-CD1 3.94Å; C270-I272 PolarHBondContact O-N 3.11Å; I272-G274 PolarHBondContact O-N 3.15Å; I272-C275 HydrophobicContact CB-CB 4.2Å; I272-C275 HydrophobicContact CG2-CB 4.4Å; I272-C275 WeakPolarHBondContact O-CB 3.31Å; I272-C275 PolarHBondContact O-N 2.8Å; I272-L289 HydrophobicContact CD1-CD2 3.6Å; I272-L289 HydrophobicContact CG1-CD2 4.37Å; I272-H292 HydrophobicContact CD1-CB 3.61Å |
| 273 | P | 75.4 | Confident | 78.5 | Confident | 122 Ų | 122 | 90.2 Ų | 90.2 | 79% | 0.792 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.4 | 132.2 | 176.6 | -29.3 | 35.9 | 0 | 0 | 0 | 112.1 | C275 | P273-C275 VanDerWaalsContact C-N 3.28Å; P273-C275 PolarHBondContact O-N 3.04Å |
| 274 | G | 74.8 | Confident | 79.6 | Confident | 98 Ų | 98 | 91.5 Ų | 91.5 | 100% | 1.01 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | -0.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | I272 | I272-G274 PolarHBondContact O-N 3.15Š|
| 275 | C | 82.6 | Confident | 81 | Confident | 23 Ų | 23 | 84.2 Ų | 84.2 | 16% | 0.155 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -58.7 | 179.3 | -167.4 | 0 | 0 | 0 | 0 | 114.5 | I272 P273 K277 H288 H292 | I272-C275 HydrophobicContact CB-CB 4.2Å; I272-C275 HydrophobicContact CG2-CB 4.4Å; I272-C275 WeakPolarHBondContact O-CB 3.31Å; I272-C275 PolarHBondContact O-N 2.8Å; P273-C275 VanDerWaalsContact C-N 3.28Å; P273-C275 PolarHBondContact O-N 3.04Å; C275-K277 PolarHBondContact O-N 3.43Å; C275-H288 PolarHBondContact SG-CE1 2.79Å; C275-H288 PolarHBondContact SG-NE2 2.05Å; C275-H292 PolarHBondContact SG-NE2 3.35Å |
| 276 | G | 79.1 | Confident | 81.8 | Confident | 51 Ų | 51 | 78.5 Ų | 78.5 | 53% | 0.526 | 45% | 0.448 | S | S | . | . | trans | 61.1 | 4 | 175 | 0 | 0 | 0 | 0 | 0 | 117.6 | C270 | C270-G276 PolarHBondContact O-N 3.23Š| ||
| 277 | K | 83.3 | Confident | 82.3 | Confident | 100 Ų | 100 | 72.3 Ų | 72.3 | 44% | 0.435 | 42% | 0.424 | S | S | . | . | trans | -68.2 | 136.3 | -171.6 | -70.2 | 175.6 | -171.8 | 167.4 | 0 | 112.9 | C270 C275 Y279 | C270-K277 HydrophobicContact CB-CB 4.43Å; C270-K277 WeakPolarHBondContact CB-O 3.31Å; C270-K277 PolarHBondContact N-O 3.1Å; C275-K277 PolarHBondContact O-N 3.43Å; K277-Y279 HydrophobicContact CB-CE2 3.6Å; K277-Y279 WeakPolarHBondContact CD-OH 3.41Å | ||
| 278 | V | 87 | Confident | 82.4 | Confident | 75 Ų | 75 | 66.8 Ų | 66.8 | 46% | 0.455 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 135.1 | -176.4 | -171.9 | 0 | 0 | 0 | 0 | 111.4 | Q267 I269 | Q267-V278 HydrophobicContact CB-CG1 3.79Å; Q267-V278 HydrophobicContact CG-CG1 4.26Å; I269-V278 HydrophobicContact CG1-CG1 4.22Å; I269-V278 HydrophobicContact CG1-CG2 4.11Å; I269-V278 HydrophobicContact CG2-CG2 4.32Å |
| 279 | Y | 85.4 | Confident | 82.4 | Confident | 51 Ų | 51 | 65 Ų | 65 | 20% | 0.2 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 131.9 | -176.6 | -62.6 | -83.8 | 0 | 0 | 0 | 111.9 | H268 K277 K281 H284 L285 H288 | H268-Y279 WeakPolarHBondContact CB-O 3.4Å; H268-Y279 PolarHBondContact N-O 3.11Å; H268-Y279 PolarHBondContact O-N 2.85Å; K277-Y279 HydrophobicContact CB-CE2 3.6Å; K277-Y279 WeakPolarHBondContact CD-OH 3.41Å; Y279-K281 PolarHBondContact O-N 2.91Å; Y279-H284 HydrophobicContact CD1-CB 3.65Å; Y279-H284 HydrophobicContact CE1-CB 4.48Å; Y279-H284 HydrophobicContact CG-CB 4.15Å; Y279-L285 HydrophobicContact CD2-CB 4.05Å; Y279-L285 HydrophobicContact CD2-CD1 3.89Å; Y279-L285 HydrophobicContact CE2-CD1 4.2Å; Y279-L285 HydrophobicContact CG-CB 4.33Å; Y279-H288 HydrophobicContact CE1-CB 4.25Å; Y279-H288 HydrophobicContact CE2-CB 3.9Å; Y279-H288 AromaticContact CE2-CD2 3.35Å; Y279-H288 WeakPolarHBondContact CE2-CD2 3.47Å; Y279-H288 AromaticContact CE2-CG 3.74Å; Y279-H288 AromaticContact CZ-CD2 3.69Å; Y279-H288 AromaticContact CZ-CG 3.59Å; Y279-H288 WeakPolarHBondContact OH-CB 3.27Å; Y279-H288 PolarHBondContact OH-CD2 3.44Å; Y279-H288 PolarHBondContact OH-ND1 3.41Å |
| 280 | G | 85.3 | Confident | 82.3 | Confident | 59 Ų | 59 | 64.2 Ų | 64.2 | 61% | 0.608 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -74.9 | 3.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 281 | K | 83.9 | Confident | 82 | Confident | 128 Ų | 128 | 70.8 Ų | 70.8 | 56% | 0.557 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -146.4 | 138 | 178.7 | -65.6 | -173.1 | 180 | -178 | 0 | 111.2 | H268 Y279 S283 H284 L285 | H268-K281 VanDerWaalsContact CD2-C 3.45Å; Y279-K281 PolarHBondContact O-N 2.91Å; K281-S283 VanDerWaalsContact C-N 3.28Å; K281-S283 PolarHBondContact O-N 3.21Å; K281-H284 PolarHBondContact O-N 3.02Å; K281-H284 VanDerWaalsContact O-N 3.15Å; K281-L285 PolarHBondContact O-N 3.16Å |
| 282 | T | 82.3 | Confident | 81.9 | Confident | 85 Ų | 85 | 64 Ų | 64 | 52% | 0.521 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -54.4 | -40.7 | 173.9 | 49.3 | 0 | 0 | 0 | 0 | 113 | H268 H284 L285 K286 | H268-T282 PolarHBondContact CD2-N 2.82Å; H268-T282 VanDerWaalsContact CD2-N 3.33Å; H268-T282 WeakPolarHBondContact CE1-CG2 3.35Å; H268-T282 WeakPolarHBondContact NE2-CG2 3.35Å; T282-H284 VanDerWaalsContact C-N 3.29Å; T282-H284 PolarHBondContact O-N 2.79Å; T282-L285 PolarHBondContact O-N 3.41Å; T282-K286 PolarHBondContact O-N 2.93Å |
| 283 | S | 81.9 | Confident | 81.8 | Confident | 68 Ų | 68 | 64 Ų | 64 | 48% | 0.476 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.6 | -34.4 | 179.8 | 56.5 | 0 | 0 | 0 | 0 | 112.9 | K281 A287 | K281-S283 VanDerWaalsContact C-N 3.28Å; K281-S283 PolarHBondContact O-N 3.21Å; S283-A287 WeakPolarHBondContact O-CB 3.48Å; S283-A287 PolarHBondContact O-N 3.42Å |
| 284 | H | 84.4 | Confident | 81.7 | Confident | 97 Ų | 97 | 60.5 Ų | 60.5 | 45% | 0.449 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -74 | -39.7 | 176.9 | -63.8 | -175.5 | 0 | 0 | 0 | 111.2 | Y279 K281 T282 A287 H288 | Y279-H284 HydrophobicContact CD1-CB 3.65Å; Y279-H284 HydrophobicContact CE1-CB 4.48Å; Y279-H284 HydrophobicContact CG-CB 4.15Å; K281-H284 PolarHBondContact O-N 3.02Å; K281-H284 VanDerWaalsContact O-N 3.15Å; T282-H284 VanDerWaalsContact C-N 3.29Å; T282-H284 PolarHBondContact O-N 2.79Å; H284-A287 PolarHBondContact O-N 3.49Å; H284-H288 WeakPolarHBondContact O-CB 3.26Å; H284-H288 PolarHBondContact O-N 2.89Å |
| 285 | L | 85.2 | Confident | 81.7 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 15% | 0.147 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.6 | -47 | 171.9 | 177 | 61.2 | 0 | 0 | 0 | 111 | H268 C270 Y279 K281 T282 A287 H288 L289 | H268-L285 HydrophobicContact CB-CB 4.12Å; H268-L285 HydrophobicContact CB-CD2 3.81Å; C270-L285 HydrophobicContact CB-CD1 3.84Å; Y279-L285 HydrophobicContact CD2-CB 4.05Å; Y279-L285 HydrophobicContact CD2-CD1 3.89Å; Y279-L285 HydrophobicContact CE2-CD1 4.2Å; Y279-L285 HydrophobicContact CG-CB 4.33Å; K281-L285 PolarHBondContact O-N 3.16Å; T282-L285 PolarHBondContact O-N 3.41Å; L285-A287 PolarHBondContact O-N 3.38Å; L285-H288 CarbonylContact O-C 3.16Å; L285-H288 WeakPolarHBondContact O-CB 3.3Å; L285-H288 PolarHBondContact O-N 3.26Å; L285-H288 VanDerWaalsContact O-N 3.1Å; L285-L289 HydrophobicContact CD1-CD1 4.39Å; L285-L289 HydrophobicContact CD1-CG 4.16Å; L285-L289 HydrophobicContact CG-CD1 4.14Å; L285-L289 HydrophobicContact CG-CG 4.37Å; L285-L289 WeakPolarHBondContact O-CG 3.46Å; L285-L289 PolarHBondContact O-N 3.37Å |
| 286 | K | 82.5 | Confident | 81.5 | Confident | 74 Ų | 74 | 62.2 Ų | 62.2 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 176.3 | -72.7 | -159.6 | 171.3 | -155.9 | 0 | 112.5 | L233 T235 T282 H288 L289 R290 | L233-K286 HydrophobicContact CD2-CB 4.27Å; L233-K286 VanDerWaalsContact CD2-O 3.26Å; L233-K286 WeakPolarHBondContact CD2-O 3.27Å; L233-K286 PolarHBondContact O-NZ 2.86Å; T235-K286 PolarHBondContact O-NZ 3.01Å; T282-K286 PolarHBondContact O-N 2.93Å; K286-H288 VanDerWaalsContact C-N 3.27Å; K286-H288 PolarHBondContact O-N 3.1Å; K286-L289 PolarHBondContact O-N 2.97Å; K286-R290 PolarHBondContact O-N 2.84Å |
| 287 | A | 82.8 | Confident | 81.5 | Confident | 19 Ų | 19 | 63 Ų | 63 | 16% | 0.157 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.1 | -32.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S283 H284 L285 R311 | S283-A287 WeakPolarHBondContact O-CB 3.48Å; S283-A287 PolarHBondContact O-N 3.42Å; H284-A287 PolarHBondContact O-N 3.49Å; L285-A287 PolarHBondContact O-N 3.38Å; A287-R311 HydrophobicContact CB-CG 4.07Å |
| 288 | H | 83.8 | Confident | 81.4 | Confident | 17 Ų | 17 | 61.1 Ų | 61.1 | 8% | 0.079 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.5 | -39.7 | 173.8 | 166.3 | 49.3 | 0 | 0 | 0 | 112.9 | C270 C275 Y279 H284 L285 K286 R290 W291 H292 | C270-H288 PolarHBondContact SG-NE2 3.35Å; C275-H288 PolarHBondContact SG-CE1 2.79Å; C275-H288 PolarHBondContact SG-NE2 2.05Å; Y279-H288 HydrophobicContact CE1-CB 4.25Å; Y279-H288 HydrophobicContact CE2-CB 3.9Å; Y279-H288 AromaticContact CE2-CD2 3.35Å; Y279-H288 WeakPolarHBondContact CE2-CD2 3.47Å; Y279-H288 AromaticContact CE2-CG 3.74Å; Y279-H288 AromaticContact CZ-CD2 3.69Å; Y279-H288 AromaticContact CZ-CG 3.59Å; Y279-H288 WeakPolarHBondContact OH-CB 3.27Å; Y279-H288 PolarHBondContact OH-CD2 3.44Å; Y279-H288 PolarHBondContact OH-ND1 3.41Å; H284-H288 WeakPolarHBondContact O-CB 3.26Å; H284-H288 PolarHBondContact O-N 2.89Å; L285-H288 CarbonylContact O-C 3.16Å; L285-H288 WeakPolarHBondContact O-CB 3.3Å; L285-H288 PolarHBondContact O-N 3.26Å; L285-H288 VanDerWaalsContact O-N 3.1Å; K286-H288 VanDerWaalsContact C-N 3.27Å; K286-H288 PolarHBondContact O-N 3.1Å; H288-R290 PolarHBondContact O-N 2.92Å; H288-W291 WeakPolarHBondContact O-CB 3.32Å; H288-W291 PolarHBondContact O-N 3.4Å; H288-H292 AromaticContact CE1-CD2 3.44Å; H288-H292 PolarHBondContact CE1-CD2 2.98Å; H288-H292 VanDerWaalsContact CE1-CD2 3.44Å; H288-H292 AromaticContact CE1-NE2 3.13Å; H288-H292 PolarHBondContact CE1-NE2 3.24Å; H288-H292 AromaticContact NE2-CD2 3.69Å; H288-H292 AromaticContact NE2-NE2 3.33Å; H288-H292 PolarHBondContact NE2-NE2 2.97Å |
| 289 | L | 82.1 | Confident | 81.3 | Confident | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.1 | -30.7 | 176.8 | -72.6 | 171.8 | 0 | 0 | 0 | 112.3 | I229 L232 L233 I272 L285 K286 W291 H292 S293 | I229-L289 HydrophobicContact CG2-CB 4.13Å; I229-L289 WeakPolarHBondContact CG2-O 3.47Å; L232-L289 HydrophobicContact CB-CD1 3.82Å; L232-L289 HydrophobicContact CD1-CD1 4.35Å; L232-L289 HydrophobicContact CD1-CD2 4.37Å; L233-L289 HydrophobicContact CD2-CB 3.77Å; L233-L289 HydrophobicContact CG-CB 4.25Å; I272-L289 HydrophobicContact CD1-CD2 3.6Å; I272-L289 HydrophobicContact CG1-CD2 4.37Å; L285-L289 HydrophobicContact CD1-CD1 4.39Å; L285-L289 HydrophobicContact CD1-CG 4.16Å; L285-L289 HydrophobicContact CG-CD1 4.14Å; L285-L289 HydrophobicContact CG-CG 4.37Å; L285-L289 WeakPolarHBondContact O-CG 3.46Å; L285-L289 PolarHBondContact O-N 3.37Å; K286-L289 PolarHBondContact O-N 2.97Å; L289-W291 PolarHBondContact O-N 3.5Å; L289-H292 WeakPolarHBondContact O-CB 3.15Å; L289-H292 PolarHBondContact O-N 3.15Å; L289-S293 PolarHBondContact O-N 2.95Å |
| 290 | R | 82 | Confident | 81.3 | Confident | 60 Ų | 60 | 58.8 Ų | 58.8 | 23% | 0.226 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.2 | -25.4 | 170 | -71.6 | 178.6 | -178.2 | 152.3 | 2.5 | 114.4 | L233 K286 H288 G294 E295 T310 | L233-R290 HydrophobicContact CD1-CG 4.03Å; L233-R290 HydrophobicContact CD2-CG 3.95Å; K286-R290 PolarHBondContact O-N 2.84Å; H288-R290 PolarHBondContact O-N 2.92Å; R290-G294 WeakPolarHBondContact O-CA 3.13Å; R290-G294 PolarHBondContact O-N 3.3Å; R290-E295 WeakPolarHBondContact CB-O 3.45Å; R290-E295 HydrophobicContact CG-CB 4.2Å; R290-T310 HydrophobicContact CB-CG2 4.21Å; R290-T310 WeakPolarHBondContact CD-O 3.38Å; R290-T310 PolarHBondContact NH1-O 3.13Å |
| 291 | W | 78 | Confident | 81.2 | Confident | 141 Ų | 141 | 63.5 Ų | 63.5 | 53% | 0.534 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.9 | -34.3 | 171.9 | 179.9 | 79.5 | 0 | 0 | 0 | 112 | H288 L289 | H288-W291 WeakPolarHBondContact O-CB 3.32Å; H288-W291 PolarHBondContact O-N 3.4Å; L289-W291 PolarHBondContact O-N 3.5Å |
| 292 | H | 78.9 | Confident | 80.9 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 9% | 0.093 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -76.2 | -37 | 176.9 | -74.3 | -87.5 | 0 | 0 | 0 | 112.8 | Y225 I229 I272 C275 H288 L289 | Y225-H292 WeakPolarHBondContact OH-CB 3.11Å; Y225-H292 PolarHBondContact OH-ND1 3.29Å; I229-H292 HydrophobicContact CD1-CB 3.65Å; I229-H292 HydrophobicContact CG1-CB 4.46Å; I272-H292 HydrophobicContact CD1-CB 3.61Å; C275-H292 PolarHBondContact SG-NE2 3.35Å; H288-H292 AromaticContact CE1-CD2 3.44Å; H288-H292 PolarHBondContact CE1-CD2 2.98Å; H288-H292 VanDerWaalsContact CE1-CD2 3.44Å; H288-H292 AromaticContact CE1-NE2 3.13Å; H288-H292 PolarHBondContact CE1-NE2 3.24Å; H288-H292 AromaticContact NE2-CD2 3.69Å; H288-H292 AromaticContact NE2-NE2 3.33Å; H288-H292 PolarHBondContact NE2-NE2 2.97Å; L289-H292 WeakPolarHBondContact O-CB 3.15Å; L289-H292 PolarHBondContact O-N 3.15Å |
| 293 | S | 76.2 | Confident | 80.7 | Confident | 19 Ų | 19 | 66.7 Ų | 66.7 | 13% | 0.133 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -82.2 | -29.1 | 177.8 | 168.3 | 0 | 0 | 0 | 0 | 113.4 | Q226 L289 E295 | Q226-S293 PolarHBondContact NE2-O 3.35Å; Q226-S293 PolarHBondContact OE1-O 3.42Å; Q226-S293 VanDerWaalsContact OE1-O 3.09Å; Q226-S293 PolarHBondContact OE1-OG 2.82Å; Q226-S293 VanDerWaalsContact OE1-OG 3.05Å; L289-S293 PolarHBondContact O-N 2.95Å; S293-E295 VanDerWaalsContact C-N 3.27Å |
| 294 | G | 73.9 | Confident | 80.5 | Confident | 49 Ų | 49 | 71.6 Ų | 71.6 | 51% | 0.505 | 35% | 0.352 | S | S | . | . | trans | 83.4 | -0.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R290 R296 | R290-G294 WeakPolarHBondContact O-CA 3.13Å; R290-G294 PolarHBondContact O-N 3.3Å; G294-R296 WeakPolarHBondContact O-CG 3.47Å; G294-R296 PolarHBondContact O-N 2.76Å | ||
| 295 | E | 75.3 | Confident | 80.5 | Confident | 49 Ų | 49 | 68 Ų | 68 | 23% | 0.229 | 34% | 0.338 | C | S | . | . | trans | -55.7 | 121.2 | 172.3 | -91.3 | -174.2 | -159.4 | 0 | 0 | 112.7 | L233 H234 R290 S293 P297 | L233-E295 WeakPolarHBondContact CD1-OE2 3.27Å; H234-E295 IonicContact CE1-OE1 3.22Å; H234-E295 PolarHBondContact CE1-OE1 3.38Å; H234-E295 IonicContact CE1-OE2 3.99Å; R290-E295 WeakPolarHBondContact CB-O 3.45Å; R290-E295 HydrophobicContact CG-CB 4.2Å; S293-E295 VanDerWaalsContact C-N 3.27Å; E295-P297 WeakPolarHBondContact O-CD 3.49Å | ||
| 296 | R | 78.2 | Confident | 80.1 | Confident | 109 Ų | 109 | 69.4 Ų | 69.4 | 41% | 0.411 | 36% | 0.359 | S | S | . | . | trans | -125 | 71.8 | 179.4 | -66.4 | 170 | 84.2 | 100.4 | 7.6 | 110.3 | G294 F298 S308 F309 T310 | G294-R296 WeakPolarHBondContact O-CG 3.47Å; G294-R296 PolarHBondContact O-N 2.76Å; R296-F298 PolarHBondContact O-N 3.04Å; R296-F298 VanDerWaalsContact O-N 3.1Å; R296-S308 VanDerWaalsContact CB-OG 3.25Å; R296-S308 WeakPolarHBondContact CB-OG 3.35Å; R296-S308 WeakPolarHBondContact CD-OG 3.35Å; R296-S308 PolarHBondContact NE-O 2.81Å; R296-S308 PolarHBondContact NE-OG 3.2Å; R296-S308 PolarHBondContact NH2-O 3.12Å; R296-S308 WeakPolarHBondContact O-CB 3.35Å; R296-F309 CarbonylContact C-O 3.4Å; R296-F309 VanDerWaalsContact CA-O 3.27Å; R296-F309 WeakPolarHBondContact CA-O 3.4Å; R296-T310 HydrophobicContact CG-CG2 4.09Å | ||
| 297 | P | 79.1 | Confident | 80.1 | Confident | 67 Ų | 67 | 71.6 Ų | 71.6 | 44% | 0.435 | 37% | 0.369 | S | S | . | . | trans | -70 | -7.8 | -169.4 | 27.8 | -35.8 | 0 | 0 | 0 | 115 | E295 | E295-P297 WeakPolarHBondContact O-CD 3.49Š| ||
| 298 | F | 81.9 | Confident | 80 | Confident | 61 Ų | 61 | 71.8 Ų | 71.8 | 27% | 0.268 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 91.9 | -179.7 | -59.4 | -75 | 0 | 0 | 0 | 110.3 | R296 S308 F309 R311 L315 | R296-F298 PolarHBondContact O-N 3.04Å; R296-F298 VanDerWaalsContact O-N 3.1Å; F298-S308 CarbonylContact O-C 3.46Å; F298-S308 WeakPolarHBondContact O-CA 3.46Å; F298-F309 HydrophobicContact CB-CB 4.27Å; F298-F309 PolarHBondContact N-O 3.33Å; F298-F309 VanDerWaalsContact N-O 3.13Å; F298-F309 WeakPolarHBondContact O-CD2 3.44Å; F298-F309 PolarHBondContact O-N 3.25Å; F298-R311 VanDerWaalsContact CD2-CA 3.48Å; F298-L315 HydrophobicContact CB-CB 3.95Å; F298-L315 HydrophobicContact CB-CD2 3.85Å |
| 299 | V | 83.3 | Confident | 80 | Confident | 73 Ų | 73 | 71.9 Ų | 71.9 | 44% | 0.442 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 143.6 | -179.7 | -171.2 | 0 | 0 | 0 | 0 | 110.8 | N301 L315 | V299-N301 PolarHBondContact O-N 2.84Å; V299-N301 PolarHBondContact O-OD1 3Å; V299-L315 WeakPolarHBondContact O-CD2 3.21Å |
| 300 | C | 86.3 | Confident | 79.9 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 3% | 0.027 | 38% | 0.375 | C | S | . | . | trans | -77.2 | 109.8 | 167.7 | -172.5 | 0 | 0 | 0 | 0 | 109.5 | W302 C305 K307 L315 H318 H322 | C300-W302 PolarHBondContact O-N 3.12Å; C300-W302 VanDerWaalsContact SG-CB 3.55Å; C300-C305 HydrophobicContact CB-CB 4.43Å; C300-K307 HydrophobicContact CB-CB 4.49Å; C300-K307 WeakPolarHBondContact CB-O 3.37Å; C300-K307 PolarHBondContact N-O 3.48Å; C300-L315 HydrophobicContact CB-CD1 3.96Å; C300-H318 PolarHBondContact SG-NE2 3.39Å; C300-H318 VanDerWaalsContact SG-NE2 3.41Å; C300-H322 PolarHBondContact SG-NE2 2.96Å | ||
| 301 | N | 82.7 | Confident | 79.8 | Confident | 157 Ų | 157 | 75.5 Ų | 75.5 | 84% | 0.84 | 39% | 0.385 | S | S | * | . | trans | -67.9 | 3 | 178.1 | -63.4 | 4.2 | 0 | 0 | 0 | 113.9 | V299 L303 | V299-N301 PolarHBondContact O-N 2.84Å; V299-N301 PolarHBondContact O-OD1 3Å; N301-L303 PolarHBondContact O-N 2.87Å | ||
| 302 | W | 78.9 | Confident | 80.1 | Confident | 106 Ų | 106 | 72 Ų | 72 | 40% | 0.402 | 38% | 0.383 | S | S | . | . | trans | -74.9 | 117.2 | 175.5 | -165.6 | -68.4 | 0 | 0 | 0 | 109.5 | C300 F304 C305 H322 | C300-W302 PolarHBondContact O-N 3.12Å; C300-W302 VanDerWaalsContact SG-CB 3.55Å; W302-F304 AromaticContact CD1-CD1 3.99Å; W302-F304 AromaticContact CD1-CD2 3.71Å; W302-F304 AromaticContact CD1-CE1 3.99Å; W302-F304 AromaticContact CD1-CE2 3.69Å; W302-F304 AromaticContact CD1-CG 3.89Å; W302-F304 AromaticContact CD1-CZ 3.87Å; W302-F304 AromaticContact CE2-CZ 3.74Å; W302-F304 HydrophobicContact CZ2-CE1 4.4Å; W302-F304 HydrophobicContact CZ2-CZ 4.02Å; W302-F304 AromaticContact NE1-CD1 3.54Å; W302-F304 AromaticContact NE1-CD2 3.62Å; W302-F304 AromaticContact NE1-CE1 3.09Å; W302-F304 AromaticContact NE1-CE2 3.17Å; W302-F304 AromaticContact NE1-CG 3.81Å; W302-F304 AromaticContact NE1-CZ 2.92Å; W302-F304 PolarHBondContact O-N 3.05Å; W302-C305 HydrophobicContact CB-CB 3.94Å; W302-C305 HydrophobicContact CG-CB 4.44Å; W302-C305 VanDerWaalsContact O-CB 3.3Å; W302-C305 WeakPolarHBondContact O-CB 3.37Å; W302-C305 PolarHBondContact O-N 2.89Å; W302-H322 HydrophobicContact CD2-CB 4.04Å; W302-H322 AromaticContact CD2-CG 3.82Å; W302-H322 AromaticContact CD2-ND1 3.91Å; W302-H322 HydrophobicContact CE3-CB 3.57Å; W302-H322 AromaticContact CE3-CG 3.79Å; W302-H322 AromaticContact CG-ND1 3.96Å; W302-H322 HydrophobicContact CH2-CB 4.22Å; W302-H322 HydrophobicContact CZ3-CB 3.67Å | ||
| 303 | L | 76.4 | Confident | 80.2 | Confident | 174 Ų | 174 | 74.9 Ų | 74.9 | 91% | 0.911 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -46.5 | -162.6 | -172.7 | 64 | 0 | 0 | 0 | 114.4 | N301 C305 | N301-L303 PolarHBondContact O-N 2.87Å; L303-C305 VanDerWaalsContact C-N 3.33Å; L303-C305 PolarHBondContact O-N 3.23Å |
| 304 | F | 78.6 | Confident | 80.6 | Confident | 171 Ų | 171 | 76.3 Ų | 76.3 | 75% | 0.75 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 9.5 | 179.3 | 55.8 | -110.2 | 0 | 0 | 0 | 114.8 | W302 | W302-F304 AromaticContact CD1-CD1 3.99Å; W302-F304 AromaticContact CD1-CD2 3.71Å; W302-F304 AromaticContact CD1-CE1 3.99Å; W302-F304 AromaticContact CD1-CE2 3.69Å; W302-F304 AromaticContact CD1-CG 3.89Å; W302-F304 AromaticContact CD1-CZ 3.87Å; W302-F304 AromaticContact CE2-CZ 3.74Å; W302-F304 HydrophobicContact CZ2-CE1 4.4Å; W302-F304 HydrophobicContact CZ2-CZ 4.02Å; W302-F304 AromaticContact NE1-CD1 3.54Å; W302-F304 AromaticContact NE1-CD2 3.62Å; W302-F304 AromaticContact NE1-CE1 3.09Å; W302-F304 AromaticContact NE1-CE2 3.17Å; W302-F304 AromaticContact NE1-CG 3.81Å; W302-F304 AromaticContact NE1-CZ 2.92Å; W302-F304 PolarHBondContact O-N 3.05Å |
| 305 | C | 85 | Confident | 81.2 | Confident | 22 Ų | 22 | 75 Ų | 75 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -50.8 | -177.8 | -161.8 | 0 | 0 | 0 | 0 | 113.7 | C300 W302 L303 K307 H318 H322 | C300-C305 HydrophobicContact CB-CB 4.43Å; W302-C305 HydrophobicContact CB-CB 3.94Å; W302-C305 HydrophobicContact CG-CB 4.44Å; W302-C305 VanDerWaalsContact O-CB 3.3Å; W302-C305 WeakPolarHBondContact O-CB 3.37Å; W302-C305 PolarHBondContact O-N 2.89Å; L303-C305 VanDerWaalsContact C-N 3.33Å; L303-C305 PolarHBondContact O-N 3.23Å; C305-K307 PolarHBondContact O-N 3.36Å; C305-H318 VanDerWaalsContact SG-CE1 3.58Å; C305-H318 PolarHBondContact SG-NE2 2.87Å; C305-H322 WeakPolarHBondContact CB-CE1 3.5Å; C305-H322 WeakPolarHBondContact CB-NE2 3.37Å; C305-H322 PolarHBondContact SG-CE1 3.33Å; C305-H322 PolarHBondContact SG-NE2 3.01Å |
| 306 | G | 76.3 | Confident | 81.6 | Confident | 57 Ų | 57 | 77.9 Ų | 77.9 | 59% | 0.588 | 40% | 0.398 | S | S | * | . | trans | 59.9 | -0.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | S308 | G306-S308 PolarHBondContact O-N 3.39Š| ||
| 307 | K | 81.6 | Confident | 81.9 | Confident | 120 Ų | 120 | 76.9 Ų | 76.9 | 52% | 0.522 | 39% | 0.394 | S | S | . | . | trans | -70 | 123.1 | -172.8 | -70.8 | 176.7 | -168.9 | 171.7 | 0 | 111.2 | C300 C305 F309 | C300-K307 HydrophobicContact CB-CB 4.49Å; C300-K307 WeakPolarHBondContact CB-O 3.37Å; C300-K307 PolarHBondContact N-O 3.48Å; C305-K307 PolarHBondContact O-N 3.36Å; K307-F309 HydrophobicContact CB-CE2 3.83Å; K307-F309 HydrophobicContact CB-CZ 3.83Å; K307-F309 VanDerWaalsContact O-CE2 3.31Å; K307-F309 WeakPolarHBondContact O-CE2 3.48Å | ||
| 308 | S | 82.1 | Confident | 82.2 | Confident | 24 Ų | 24 | 74.3 Ų | 74.3 | 17% | 0.168 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 156.5 | 175.4 | 63.1 | 0 | 0 | 0 | 0 | 111.8 | R296 F298 G306 | R296-S308 VanDerWaalsContact CB-OG 3.25Å; R296-S308 WeakPolarHBondContact CB-OG 3.35Å; R296-S308 WeakPolarHBondContact CD-OG 3.35Å; R296-S308 PolarHBondContact NE-O 2.81Å; R296-S308 PolarHBondContact NE-OG 3.2Å; R296-S308 PolarHBondContact NH2-O 3.12Å; R296-S308 WeakPolarHBondContact O-CB 3.35Å; F298-S308 CarbonylContact O-C 3.46Å; F298-S308 WeakPolarHBondContact O-CA 3.46Å; G306-S308 PolarHBondContact O-N 3.39Å |
| 309 | F | 83.6 | Confident | 82.3 | Confident | 19 Ų | 19 | 74 Ų | 74 | 8% | 0.083 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 155.3 | -176.6 | -59.2 | -82.9 | 0 | 0 | 0 | 112.4 | R296 F298 K307 E314 L315 H318 | R296-F309 CarbonylContact C-O 3.4Å; R296-F309 VanDerWaalsContact CA-O 3.27Å; R296-F309 WeakPolarHBondContact CA-O 3.4Å; F298-F309 HydrophobicContact CB-CB 4.27Å; F298-F309 PolarHBondContact N-O 3.33Å; F298-F309 VanDerWaalsContact N-O 3.13Å; F298-F309 WeakPolarHBondContact O-CD2 3.44Å; F298-F309 PolarHBondContact O-N 3.25Å; K307-F309 HydrophobicContact CB-CE2 3.83Å; K307-F309 HydrophobicContact CB-CZ 3.83Å; K307-F309 VanDerWaalsContact O-CE2 3.31Å; K307-F309 WeakPolarHBondContact O-CE2 3.48Å; F309-E314 HydrophobicContact CB-CB 4.11Å; F309-E314 HydrophobicContact CB-CG 4.37Å; F309-E314 HydrophobicContact CD1-CB 4.21Å; F309-E314 VanDerWaalsContact CD1-CD 3.46Å; F309-E314 HydrophobicContact CD1-CG 3.63Å; F309-E314 HydrophobicContact CE1-CG 4.35Å; F309-E314 HydrophobicContact CG-CB 4.35Å; F309-E314 HydrophobicContact CG-CG 4.27Å; F309-L315 HydrophobicContact CB-CB 4.4Å; F309-L315 HydrophobicContact CD2-CB 3.91Å; F309-L315 HydrophobicContact CD2-CD1 3.9Å; F309-L315 HydrophobicContact CE2-CD1 4.09Å; F309-L315 HydrophobicContact CG-CB 4.38Å; F309-H318 HydrophobicContact CE1-CB 4.15Å; F309-H318 HydrophobicContact CE2-CB 3.83Å; F309-H318 AromaticContact CE2-CD2 3.22Å; F309-H318 WeakPolarHBondContact CE2-CD2 3.45Å; F309-H318 AromaticContact CE2-CG 3.65Å; F309-H318 HydrophobicContact CZ-CB 3.51Å; F309-H318 AromaticContact CZ-CD2 3.37Å; F309-H318 WeakPolarHBondContact CZ-CD2 3.41Å; F309-H318 AromaticContact CZ-CG 3.35Å |
| 310 | T | 79.8 | Confident | 82.3 | Confident | 27 Ų | 27 | 74.1 Ų | 74.1 | 17% | 0.166 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -81.7 | -19.2 | -179 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | R290 R296 E314 | R290-T310 HydrophobicContact CB-CG2 4.21Å; R290-T310 WeakPolarHBondContact CD-O 3.38Å; R290-T310 PolarHBondContact NH1-O 3.13Å; R296-T310 HydrophobicContact CG-CG2 4.09Å; T310-E314 PolarHBondContact OG1-OE2 3.31Å |
| 311 | R | 80.5 | Confident | 82 | Confident | 117 Ų | 117 | 77.5 Ų | 77.5 | 44% | 0.442 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -136.5 | 148.8 | -175.7 | -65.7 | 165.3 | 51.7 | 156.8 | -5.7 | 112.2 | A287 F298 D313 E314 L315 | A287-R311 HydrophobicContact CB-CG 4.07Å; F298-R311 VanDerWaalsContact CD2-CA 3.48Å; R311-D313 VanDerWaalsContact CB-OD1 3.27Å; R311-D313 WeakPolarHBondContact CB-OD1 3.49Å; R311-D313 IonicContact CZ-OD1 3.73Å; R311-D313 IonicContact CZ-OD2 3.86Å; R311-D313 IonicContact NE-OD1 3.39Å; R311-D313 PolarHBondContact NE-OD1 3.44Å; R311-D313 IonicContact NE-OD2 3.52Å; R311-D313 VanDerWaalsContact NH2-CG 3.26Å; R311-D313 IonicContact NH2-OD1 3.08Å; R311-D313 PolarHBondContact NH2-OD1 3.29Å; R311-D313 VanDerWaalsContact NH2-OD1 3.11Å; R311-D313 IonicContact NH2-OD2 3.31Å; R311-D313 PolarHBondContact NH2-OD2 3.44Å; R311-E314 HydrophobicContact CB-CB 4.15Å; R311-E314 WeakPolarHBondContact O-CB 3.4Å; R311-E314 PolarHBondContact O-N 2.89Å; R311-L315 PolarHBondContact O-N 3.15Å |
| 312 | S | 82.6 | Confident | 81.9 | Confident | 68 Ų | 68 | 72.5 Ų | 72.5 | 48% | 0.476 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 179.6 | 50.5 | 0 | 0 | 0 | 0 | 113.1 | E314 L315 Q316 | S312-E314 PolarHBondContact O-N 3.25Å; S312-L315 PolarHBondContact O-N 3.33Å; S312-Q316 WeakPolarHBondContact O-CB 3.4Å; S312-Q316 WeakPolarHBondContact O-CG 3.45Å; S312-Q316 PolarHBondContact O-N 3.25Å |
| 313 | D | 82.3 | Confident | 81.9 | Confident | 80 Ų | 80 | 71.1 Ų | 71.1 | 43% | 0.428 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.6 | -26.6 | 176.3 | 67.6 | -66 | 0 | 0 | 0 | 112.4 | R311 R317 | R311-D313 VanDerWaalsContact CB-OD1 3.27Å; R311-D313 WeakPolarHBondContact CB-OD1 3.49Å; R311-D313 IonicContact CZ-OD1 3.73Å; R311-D313 IonicContact CZ-OD2 3.86Å; R311-D313 IonicContact NE-OD1 3.39Å; R311-D313 PolarHBondContact NE-OD1 3.44Å; R311-D313 IonicContact NE-OD2 3.52Å; R311-D313 VanDerWaalsContact NH2-CG 3.26Å; R311-D313 IonicContact NH2-OD1 3.08Å; R311-D313 PolarHBondContact NH2-OD1 3.29Å; R311-D313 VanDerWaalsContact NH2-OD1 3.11Å; R311-D313 IonicContact NH2-OD2 3.31Å; R311-D313 PolarHBondContact NH2-OD2 3.44Å; D313-R317 VanDerWaalsContact O-CB 3.26Å; D313-R317 WeakPolarHBondContact O-CB 3.26Å; D313-R317 PolarHBondContact O-N 3.45Å |
| 314 | E | 84.9 | Confident | 81.9 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -70.9 | -46.1 | 174.3 | -157.2 | -174.1 | -175.6 | 0 | 0 | 111.4 | F309 T310 R311 S312 R317 H318 | F309-E314 HydrophobicContact CB-CB 4.11Å; F309-E314 HydrophobicContact CB-CG 4.37Å; F309-E314 HydrophobicContact CD1-CB 4.21Å; F309-E314 VanDerWaalsContact CD1-CD 3.46Å; F309-E314 HydrophobicContact CD1-CG 3.63Å; F309-E314 HydrophobicContact CE1-CG 4.35Å; F309-E314 HydrophobicContact CG-CB 4.35Å; F309-E314 HydrophobicContact CG-CG 4.27Å; T310-E314 PolarHBondContact OG1-OE2 3.31Å; R311-E314 HydrophobicContact CB-CB 4.15Å; R311-E314 WeakPolarHBondContact O-CB 3.4Å; R311-E314 PolarHBondContact O-N 2.89Å; S312-E314 PolarHBondContact O-N 3.25Å; E314-R317 VanDerWaalsContact CG-NH2 3.34Å; E314-R317 PolarHBondContact O-N 2.68Å; E314-R317 IonicContact OE1-NH2 2.72Å; E314-H318 WeakPolarHBondContact O-CB 3.35Å; E314-H318 PolarHBondContact O-N 3.06Å |
| 315 | L | 86.1 | Confident | 81.8 | Confident | 22 Ų | 22 | 59.2 Ų | 59.2 | 12% | 0.115 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.3 | -48 | 171.7 | 171.8 | 61.3 | 0 | 0 | 0 | 111.3 | F298 V299 C300 F309 R311 S312 R317 H318 L319 | F298-L315 HydrophobicContact CB-CB 3.95Å; F298-L315 HydrophobicContact CB-CD2 3.85Å; V299-L315 WeakPolarHBondContact O-CD2 3.21Å; C300-L315 HydrophobicContact CB-CD1 3.96Å; F309-L315 HydrophobicContact CB-CB 4.4Å; F309-L315 HydrophobicContact CD2-CB 3.91Å; F309-L315 HydrophobicContact CD2-CD1 3.9Å; F309-L315 HydrophobicContact CE2-CD1 4.09Å; F309-L315 HydrophobicContact CG-CB 4.38Å; R311-L315 PolarHBondContact O-N 3.15Å; S312-L315 PolarHBondContact O-N 3.33Å; L315-R317 VanDerWaalsContact C-N 3.3Å; L315-R317 PolarHBondContact O-N 3.18Å; L315-H318 CarbonylContact O-C 3.5Å; L315-H318 WeakPolarHBondContact O-CA 3.48Å; L315-H318 WeakPolarHBondContact O-CB 3.48Å; L315-H318 PolarHBondContact O-N 2.89Å; L315-L319 HydrophobicContact CD1-CD1 4.42Å; L315-L319 HydrophobicContact CD1-CD2 4.3Å; L315-L319 HydrophobicContact CD1-CG 4.09Å; L315-L319 HydrophobicContact CG-CD1 4.3Å; L315-L319 HydrophobicContact CG-CG 4.41Å; L315-L319 WeakPolarHBondContact O-CG 3.43Å; L315-L319 PolarHBondContact O-N 2.73Å |
| 316 | Q | 84.4 | Confident | 81.5 | Confident | 109 Ų | 109 | 63.5 Ų | 63.5 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.8 | -36.6 | 179.5 | -72.9 | -65 | -31.2 | 0 | 0 | 112.7 | S312 | S312-Q316 WeakPolarHBondContact O-CB 3.4Å; S312-Q316 WeakPolarHBondContact O-CG 3.45Å; S312-Q316 PolarHBondContact O-N 3.25Å |
| 317 | R | 83.1 | Confident | 81.6 | Confident | 88 Ų | 88 | 68.1 Ų | 68.1 | 33% | 0.332 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -66.7 | -36.7 | 170.6 | 177.7 | 179.5 | 62 | 91.5 | 1.6 | 112 | D313 E314 L315 R339 | D313-R317 VanDerWaalsContact O-CB 3.26Å; D313-R317 WeakPolarHBondContact O-CB 3.26Å; D313-R317 PolarHBondContact O-N 3.45Å; E314-R317 VanDerWaalsContact CG-NH2 3.34Å; E314-R317 PolarHBondContact O-N 2.68Å; E314-R317 IonicContact OE1-NH2 2.72Å; L315-R317 VanDerWaalsContact C-N 3.3Å; L315-R317 PolarHBondContact O-N 3.18Å; R317-R339 HydrophobicContact CG-CG 4.29Å |
| 318 | H | 86.2 | Confident | 81.7 | Confident | 14 Ų | 14 | 65.5 Ų | 65.5 | 7% | 0.065 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.1 | -37.3 | 176.3 | 168.7 | 50 | 0 | 0 | 0 | 112.9 | C300 C305 F309 E314 L315 R320 T321 H322 | C300-H318 PolarHBondContact SG-NE2 3.39Å; C300-H318 VanDerWaalsContact SG-NE2 3.41Å; C305-H318 VanDerWaalsContact SG-CE1 3.58Å; C305-H318 PolarHBondContact SG-NE2 2.87Å; F309-H318 HydrophobicContact CE1-CB 4.15Å; F309-H318 HydrophobicContact CE2-CB 3.83Å; F309-H318 AromaticContact CE2-CD2 3.22Å; F309-H318 WeakPolarHBondContact CE2-CD2 3.45Å; F309-H318 AromaticContact CE2-CG 3.65Å; F309-H318 HydrophobicContact CZ-CB 3.51Å; F309-H318 AromaticContact CZ-CD2 3.37Å; F309-H318 WeakPolarHBondContact CZ-CD2 3.41Å; F309-H318 AromaticContact CZ-CG 3.35Å; E314-H318 WeakPolarHBondContact O-CB 3.35Å; E314-H318 PolarHBondContact O-N 3.06Å; L315-H318 CarbonylContact O-C 3.5Å; L315-H318 WeakPolarHBondContact O-CA 3.48Å; L315-H318 WeakPolarHBondContact O-CB 3.48Å; L315-H318 PolarHBondContact O-N 2.89Å; H318-R320 PolarHBondContact O-N 2.8Å; H318-R320 VanDerWaalsContact O-N 3.12Å; H318-T321 PolarHBondContact CE1-OG1 2.72Å; H318-T321 PolarHBondContact ND1-OG1 2.91Å; H318-T321 WeakPolarHBondContact O-CA 3.24Å; H318-T321 WeakPolarHBondContact O-CB 3.33Å; H318-T321 PolarHBondContact O-N 3.27Å; H318-T321 PolarHBondContact O-OG1 3.41Å; H318-H322 AromaticContact CD2-NE2 3.52Å; H318-H322 AromaticContact CE1-CD2 3.95Å; H318-H322 AromaticContact CE1-NE2 2.91Å; H318-H322 PolarHBondContact CE1-NE2 3.32Å; H318-H322 AromaticContact NE2-CD2 3.89Å; H318-H322 AromaticContact NE2-NE2 2.46Å; H318-H322 PolarHBondContact NE2-NE2 3.13Å |
| 319 | L | 83.6 | Confident | 81.9 | Confident | 54 Ų | 54 | 67.2 Ų | 67.2 | 28% | 0.283 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.7 | -31 | 177.4 | -69.6 | 172.5 | 0 | 0 | 0 | 112.3 | L315 T321 H322 T323 | L315-L319 HydrophobicContact CD1-CD1 4.42Å; L315-L319 HydrophobicContact CD1-CD2 4.3Å; L315-L319 HydrophobicContact CD1-CG 4.09Å; L315-L319 HydrophobicContact CG-CD1 4.3Å; L315-L319 HydrophobicContact CG-CG 4.41Å; L315-L319 WeakPolarHBondContact O-CG 3.43Å; L315-L319 PolarHBondContact O-N 2.73Å; L319-T321 PolarHBondContact O-N 2.46Å; L319-H322 WeakPolarHBondContact O-CB 3.27Å; L319-H322 PolarHBondContact O-N 2.83Å; L319-T323 PolarHBondContact O-N 2.78Å |
| 320 | R | 82.9 | Confident | 82 | Confident | 76 Ų | 76 | 66.3 Ų | 66.3 | 29% | 0.287 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -64.3 | -16.5 | 172.1 | -58 | 175.5 | -166.2 | 176.8 | 0.9 | 114.5 | H318 H322 T323 G324 M338 | H318-R320 PolarHBondContact O-N 2.8Å; H318-R320 VanDerWaalsContact O-N 3.12Å; R320-H322 VanDerWaalsContact C-N 3.34Å; R320-T323 WeakPolarHBondContact CA-OG1 3.4Å; R320-G324 PolarHBondContact O-N 2.8Å; R320-G324 VanDerWaalsContact O-N 3.11Å; R320-M338 HydrophobicContact CB-CG 3.71Å; R320-M338 HydrophobicContact CB-SD 3.9Å; R320-M338 VanDerWaalsContact O-CE 3.3Å; R320-M338 WeakPolarHBondContact O-CE 3.44Å |
| 321 | T | 81.3 | Confident | 82.1 | Confident | 75 Ų | 75 | 69.4 Ų | 69.4 | 46% | 0.46 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -77.2 | -22.6 | 171.5 | 70.4 | 0 | 0 | 0 | 0 | 112.6 | H318 L319 M338 | H318-T321 PolarHBondContact CE1-OG1 2.72Å; H318-T321 PolarHBondContact ND1-OG1 2.91Å; H318-T321 WeakPolarHBondContact O-CA 3.24Å; H318-T321 WeakPolarHBondContact O-CB 3.33Å; H318-T321 PolarHBondContact O-N 3.27Å; H318-T321 PolarHBondContact O-OG1 3.41Å; L319-T321 PolarHBondContact O-N 2.46Å; T321-M338 HydrophobicContact CG2-CE 4Å; T321-M338 HydrophobicContact CG2-SD 3.55Å; T321-M338 VanDerWaalsContact CG2-SD 3.55Å |
| 322 | H | 80.1 | Confident | 82.2 | Confident | 51 Ų | 51 | 66 Ų | 66 | 24% | 0.236 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -83.9 | -42.2 | 173.5 | -64.4 | -62 | 0 | 0 | 0 | 111.5 | C300 W302 C305 H318 L319 R320 G324 | C300-H322 PolarHBondContact SG-NE2 2.96Å; W302-H322 HydrophobicContact CD2-CB 4.04Å; W302-H322 AromaticContact CD2-CG 3.82Å; W302-H322 AromaticContact CD2-ND1 3.91Å; W302-H322 HydrophobicContact CE3-CB 3.57Å; W302-H322 AromaticContact CE3-CG 3.79Å; W302-H322 AromaticContact CG-ND1 3.96Å; W302-H322 HydrophobicContact CH2-CB 4.22Å; W302-H322 HydrophobicContact CZ3-CB 3.67Å; C305-H322 WeakPolarHBondContact CB-CE1 3.5Å; C305-H322 WeakPolarHBondContact CB-NE2 3.37Å; C305-H322 PolarHBondContact SG-CE1 3.33Å; C305-H322 PolarHBondContact SG-NE2 3.01Å; H318-H322 AromaticContact CD2-NE2 3.52Å; H318-H322 AromaticContact CE1-CD2 3.95Å; H318-H322 AromaticContact CE1-NE2 2.91Å; H318-H322 PolarHBondContact CE1-NE2 3.32Å; H318-H322 AromaticContact NE2-CD2 3.89Å; H318-H322 AromaticContact NE2-NE2 2.46Å; H318-H322 PolarHBondContact NE2-NE2 3.13Å; L319-H322 WeakPolarHBondContact O-CB 3.27Å; L319-H322 PolarHBondContact O-N 2.83Å; R320-H322 VanDerWaalsContact C-N 3.34Å; H322-G324 VanDerWaalsContact C-N 3.29Å; H322-G324 PolarHBondContact O-N 3.39Å |
| 323 | T | 78.3 | Confident | 82.3 | Confident | 78 Ų | 78 | 64.4 Ų | 64.4 | 48% | 0.479 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -79.3 | -7.7 | 178 | 61.7 | 0 | 0 | 0 | 0 | 114.2 | L319 R320 E325 | L319-T323 PolarHBondContact O-N 2.78Å; R320-T323 WeakPolarHBondContact CA-OG1 3.4Å; T323-E325 PolarHBondContact O-N 3.41Å; T323-E325 WeakPolarHBondContact OG1-CG 3.31Å |
| 324 | G | 76.2 | Confident | 82.4 | Confident | 29 Ų | 29 | 62 Ų | 62 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | trans | 70.4 | -5.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | R320 H322 K326 | R320-G324 PolarHBondContact O-N 2.8Å; R320-G324 VanDerWaalsContact O-N 3.11Å; H322-G324 VanDerWaalsContact C-N 3.29Å; H322-G324 PolarHBondContact O-N 3.39Å; G324-K326 PolarHBondContact O-N 2.61Å; G324-K326 VanDerWaalsContact O-N 3.14Å | ||
| 325 | E | 76.4 | Confident | 82.3 | Confident | 65 Ų | 65 | 65.6 Ų | 65.6 | 30% | 0.304 | 33% | 0.328 | S | S | . | . | trans | -54.5 | 111.7 | -169.3 | -74.6 | -177.8 | 164.3 | 0 | 0 | 114.7 | T323 R327 | T323-E325 PolarHBondContact O-N 3.41Å; T323-E325 WeakPolarHBondContact OG1-CG 3.31Å; E325-R327 HydrophobicContact CB-CG 4.35Å; E325-R327 IonicContact OE1-CZ 3.74Å; E325-R327 IonicContact OE1-NE 3.69Å; E325-R327 IonicContact OE1-NH2 3.58Å; E325-R327 PolarHBondContact OE1-NH2 2.95Å; E325-R327 IonicContact OE2-CZ 2.73Å; E325-R327 IonicContact OE2-NE 3.16Å; E325-R327 PolarHBondContact OE2-NE 3Å; E325-R327 IonicContact OE2-NH2 2.78Å; E325-R327 PolarHBondContact OE2-NH2 3.04Å | ||
| 326 | K | 78.1 | Confident | 82.2 | Confident | 113 Ų | 113 | 68.8 Ų | 68.8 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | trans | -103.6 | 84.9 | 172.5 | -63.2 | 162.1 | -167.2 | 165 | 0 | 110.3 | G324 R336 F337 | G324-K326 PolarHBondContact O-N 2.61Å; G324-K326 VanDerWaalsContact O-N 3.14Å; K326-R336 HydrophobicContact CB-CB 3.52Å; K326-R336 HydrophobicContact CD-CB 4.22Å; K326-R336 HydrophobicContact CG-CB 4.42Å; K326-R336 PolarHBondContact O-NE 3.29Å; K326-R336 PolarHBondContact O-NH2 3Å; K326-F337 CarbonylContact C-O 3.54Å; K326-F337 WeakPolarHBondContact CA-O 3.49Å | ||
| 327 | R | 79.8 | Confident | 82.1 | Confident | 154 Ų | 154 | 65.6 Ų | 65.6 | 58% | 0.581 | 32% | 0.323 | S | S | * | . | trans | -78.3 | -18.7 | -175.7 | -59.6 | -173.1 | -177.7 | -137.6 | -0.7 | 114.9 | E325 F337 | E325-R327 HydrophobicContact CB-CG 4.35Å; E325-R327 IonicContact OE1-CZ 3.74Å; E325-R327 IonicContact OE1-NE 3.69Å; E325-R327 IonicContact OE1-NH2 3.58Å; E325-R327 PolarHBondContact OE1-NH2 2.95Å; E325-R327 IonicContact OE2-CZ 2.73Å; E325-R327 IonicContact OE2-NE 3.16Å; E325-R327 PolarHBondContact OE2-NE 3Å; E325-R327 IonicContact OE2-NH2 2.78Å; E325-R327 PolarHBondContact OE2-NH2 3.04Å; R327-F337 PolarHBondContact N-O 2.87Å | ||
| 328 | F | 82.9 | Confident | 82.1 | Confident | 64 Ų | 64 | 63.5 Ų | 63.5 | 28% | 0.281 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.5 | -174.7 | -59.7 | -80.5 | 0 | 0 | 0 | 110.8 | R336 F337 L343 | F328-R336 CarbonylContact O-C 3.23Å; F328-R336 WeakPolarHBondContact O-CA 3.2Å; F328-F337 HydrophobicContact CB-CB 4.25Å; F328-F337 WeakPolarHBondContact CB-O 3.22Å; F328-F337 PolarHBondContact N-O 2.99Å; F328-F337 PolarHBondContact O-N 3.07Å; F328-L343 HydrophobicContact CB-CB 4.24Å; F328-L343 HydrophobicContact CB-CD2 3.92Å |
| 329 | V | 85.7 | Confident | 82 | Confident | 60 Ų | 60 | 66 Ų | 66 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 138.3 | -177 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | R336 L343 | V329-R336 HydrophobicContact CG2-CG 4.34Å; V329-L343 WeakPolarHBondContact O-CD2 2.98Å |
| 330 | C | 86.3 | Confident | 82.1 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -76.4 | 124.5 | 170.8 | -165.3 | 0 | 0 | 0 | 0 | 110.8 | D332 C334 K335 F337 L343 H346 H350 | C330-D332 VanDerWaalsContact C-N 3.29Å; C330-D332 PolarHBondContact O-N 3.35Å; C330-C334 VanDerWaalsContact O-CA 3.25Å; C330-C334 WeakPolarHBondContact O-CA 3.15Å; C330-C334 PolarHBondContact O-N 3.24Å; C330-K335 HydrophobicContact CB-CB 4.36Å; C330-K335 PolarHBondContact N-O 3.07Å; C330-F337 HydrophobicContact CB-CE2 4.32Å; C330-L343 HydrophobicContact CB-CD1 3.84Å; C330-H346 PolarHBondContact SG-CD2 3.44Å; C330-H350 VanDerWaalsContact SG-CD2 3.52Å; C330-H350 PolarHBondContact SG-NE2 2.88Å | ||
| 331 | P | 81.8 | Confident | 82.4 | Confident | 93 Ų | 93 | 65.9 Ų | 65.9 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -34.4 | -178.8 | 25.7 | -33.7 | 0 | 0 | 0 | 112.4 | C357 | P331-C357 WeakPolarHBondContact O-CB 3.36Š|
| 332 | D | 83.3 | Confident | 82.7 | Confident | 44 Ų | 44 | 66.1 Ų | 66.1 | 24% | 0.235 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -54.7 | -178.8 | -44.6 | -79.1 | 0 | 0 | 0 | 112 | C330 H350 N355 K356 C357 | C330-D332 VanDerWaalsContact C-N 3.29Å; C330-D332 PolarHBondContact O-N 3.35Å; D332-H350 IonicContact OD2-CD2 3.24Å; D332-H350 PolarHBondContact OD2-CD2 3.28Å; D332-H350 VanDerWaalsContact OD2-CD2 3.24Å; D332-H350 IonicContact OD2-CG 3.93Å; D332-N355 CarbonylContact C-O 3.42Å; D332-N355 CarbonylContact O-C 3.5Å; D332-K356 CarbonylContact O-C 3.41Å; D332-K356 VanDerWaalsContact O-C 3.23Å; D332-C357 PolarHBondContact O-N 2.9Å |
| 333 | C | 84.6 | Confident | 83.2 | Confident | 35 Ų | 35 | 65.1 Ų | 65.1 | 24% | 0.236 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.8 | 14.8 | -168.4 | 72.1 | 0 | 0 | 0 | 0 | 115.6 | K335 H346 H350 | C333-K335 PolarHBondContact O-N 3.4Å; C333-K335 VanDerWaalsContact SG-CG 3.56Å; C333-H346 PolarHBondContact SG-NE2 3.27Å; C333-H350 VanDerWaalsContact SG-CE1 3.56Å; C333-H350 PolarHBondContact SG-NE2 2.93Å |
| 334 | C | 84.4 | Confident | 83.7 | Confident | 30 Ų | 30 | 64 Ų | 64 | 20% | 0.203 | 33% | 0.328 | C | S | . | . | trans | 55.8 | 0.7 | -175.1 | -40.2 | 0 | 0 | 0 | 0 | 116.6 | C330 R336 C357 | C330-C334 VanDerWaalsContact O-CA 3.25Å; C330-C334 WeakPolarHBondContact O-CA 3.15Å; C330-C334 PolarHBondContact O-N 3.24Å; C334-R336 PolarHBondContact O-N 3.05Å; C334-C357 VanDerWaalsContact CA-SG 3.6Å; C334-C357 HydrophobicContact CB-CB 4.24Å; C334-C357 WeakPolarHBondContact CB-SG 3.41Å; C334-C357 WeakPolarHBondContact SG-CA 3.46Å; C334-C357 WeakPolarHBondContact SG-CB 3.32Å; C334-C357 CovalentContact SG-SG 2.03Å; C334-C357 PolarHBondContact SG-SG 3.02Å | ||
| 335 | K | 82.3 | Confident | 84.2 | Confident | 123 Ų | 123 | 69.5 Ų | 69.5 | 54% | 0.535 | 34% | 0.344 | S | S | . | . | trans | -59.4 | 130 | -175.8 | -78.5 | -178.9 | 177.8 | -179.5 | 0 | 110.9 | C330 C333 F337 | C330-K335 HydrophobicContact CB-CB 4.36Å; C330-K335 PolarHBondContact N-O 3.07Å; C333-K335 PolarHBondContact O-N 3.4Å; C333-K335 VanDerWaalsContact SG-CG 3.56Å; K335-F337 HydrophobicContact CB-CE2 3.72Å; K335-F337 HydrophobicContact CB-CZ 4Å; K335-F337 VanDerWaalsContact O-CD2 3.31Å; K335-F337 WeakPolarHBondContact O-CD2 3.3Å; K335-F337 VanDerWaalsContact O-CE2 3.24Å; K335-F337 WeakPolarHBondContact O-CE2 3.44Å | ||
| 336 | R | 84.1 | Confident | 84.8 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 34% | 0.34 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 133.6 | -176.1 | -52 | -177.2 | 64.8 | 154.1 | -1.4 | 111.3 | K326 F328 V329 C334 | K326-R336 HydrophobicContact CB-CB 3.52Å; K326-R336 HydrophobicContact CD-CB 4.22Å; K326-R336 HydrophobicContact CG-CB 4.42Å; K326-R336 PolarHBondContact O-NE 3.29Å; K326-R336 PolarHBondContact O-NH2 3Å; F328-R336 CarbonylContact O-C 3.23Å; F328-R336 WeakPolarHBondContact O-CA 3.2Å; V329-R336 HydrophobicContact CG2-CG 4.34Å; C334-R336 PolarHBondContact O-N 3.05Å |
| 337 | F | 83.1 | Confident | 85.2 | Confident | 41 Ų | 41 | 65 Ų | 65 | 18% | 0.18 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 147.3 | -179.3 | -60.6 | -90 | 0 | 0 | 0 | 110.6 | K326 R327 F328 C330 K335 R339 H342 L343 H346 | K326-F337 CarbonylContact C-O 3.54Å; K326-F337 WeakPolarHBondContact CA-O 3.49Å; R327-F337 PolarHBondContact N-O 2.87Å; F328-F337 HydrophobicContact CB-CB 4.25Å; F328-F337 WeakPolarHBondContact CB-O 3.22Å; F328-F337 PolarHBondContact N-O 2.99Å; F328-F337 PolarHBondContact O-N 3.07Å; C330-F337 HydrophobicContact CB-CE2 4.32Å; K335-F337 HydrophobicContact CB-CE2 3.72Å; K335-F337 HydrophobicContact CB-CZ 4Å; K335-F337 VanDerWaalsContact O-CD2 3.31Å; K335-F337 WeakPolarHBondContact O-CD2 3.3Å; K335-F337 VanDerWaalsContact O-CE2 3.24Å; K335-F337 WeakPolarHBondContact O-CE2 3.44Å; F337-R339 VanDerWaalsContact C-N 3.3Å; F337-H342 HydrophobicContact CB-CB 4.45Å; F337-H342 HydrophobicContact CD1-CB 3.94Å; F337-H342 HydrophobicContact CG-CB 4.49Å; F337-L343 HydrophobicContact CB-CB 4.34Å; F337-L343 HydrophobicContact CD2-CB 4.06Å; F337-L343 HydrophobicContact CD2-CD1 3.94Å; F337-L343 HydrophobicContact CE2-CD1 4.14Å; F337-L343 HydrophobicContact CG-CB 4.27Å; F337-H346 HydrophobicContact CE1-CB 3.98Å; F337-H346 HydrophobicContact CE2-CB 4.06Å; F337-H346 AromaticContact CE2-CD2 3.27Å; F337-H346 WeakPolarHBondContact CE2-CD2 3.48Å; F337-H346 AromaticContact CE2-CG 3.78Å; F337-H346 HydrophobicContact CZ-CB 3.54Å; F337-H346 AromaticContact CZ-CD2 3.23Å; F337-H346 WeakPolarHBondContact CZ-CD2 3.3Å; F337-H346 AromaticContact CZ-CG 3.28Å; F337-H346 AromaticContact CZ-NE2 3.91Å |
| 338 | M | 82.7 | Confident | 85.6 | Confident | 44 Ų | 44 | 64.6 Ų | 64.6 | 22% | 0.217 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -79 | -15.5 | 174.8 | -170 | -171.5 | -65.8 | 0 | 0 | 112.7 | R320 T321 | R320-M338 HydrophobicContact CB-CG 3.71Å; R320-M338 HydrophobicContact CB-SD 3.9Å; R320-M338 VanDerWaalsContact O-CE 3.3Å; R320-M338 WeakPolarHBondContact O-CE 3.44Å; T321-M338 HydrophobicContact CG2-CE 4Å; T321-M338 HydrophobicContact CG2-SD 3.55Å; T321-M338 VanDerWaalsContact CG2-SD 3.55Å |
| 339 | R | 83.4 | Confident | 85.7 | Confident | 66 Ų | 66 | 66 Ų | 66 | 25% | 0.249 | 35% | 0.345 | C | S | . | . | trans | -136.5 | 141.3 | -174 | -62.1 | 167.7 | 57.2 | 167.5 | 3.1 | 112 | R317 F337 D341 H342 L343 | R317-R339 HydrophobicContact CG-CG 4.29Å; F337-R339 VanDerWaalsContact C-N 3.3Å; R339-D341 VanDerWaalsContact CB-OD1 3.31Å; R339-D341 WeakPolarHBondContact CB-OD1 3.35Å; R339-D341 IonicContact CZ-OD1 2.82Å; R339-D341 VanDerWaalsContact CZ-OD1 3.31Å; R339-D341 IonicContact CZ-OD2 3.11Å; R339-D341 IonicContact NE-OD1 3.7Å; R339-D341 PolarHBondContact NE-OD1 2.84Å; R339-D341 IonicContact NE-OD2 2.82Å; R339-D341 VanDerWaalsContact NH2-CG 3.26Å; R339-D341 IonicContact NH2-OD1 2.74Å; R339-D341 PolarHBondContact NH2-OD1 3.24Å; R339-D341 VanDerWaalsContact NH2-OD1 3.08Å; R339-D341 IonicContact NH2-OD2 3.61Å; R339-D341 PolarHBondContact NH2-OD2 3.39Å; R339-H342 HydrophobicContact CB-CB 4.17Å; R339-H342 WeakPolarHBondContact CD-NE2 3.41Å; R339-H342 PolarHBondContact NE-CD2 3.22Å; R339-H342 PolarHBondContact NE-NE2 3.1Å; R339-H342 PolarHBondContact NH1-NE2 3.32Å; R339-H342 PolarHBondContact O-N 2.85Å; R339-L343 PolarHBondContact O-N 2.86Å; R339-L343 VanDerWaalsContact O-N 3.17Å | ||
| 340 | S | 87.1 | Confident | 85.5 | Confident | 71 Ų | 71 | 64.8 Ų | 64.8 | 50% | 0.497 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.2 | -36.1 | 176.2 | 50.2 | 0 | 0 | 0 | 0 | 113.3 | H342 L343 A344 | S340-H342 VanDerWaalsContact C-N 3.34Å; S340-L343 WeakPolarHBondContact O-CB 3.43Å; S340-L343 PolarHBondContact O-N 3.38Å; S340-A344 WeakPolarHBondContact O-CB 3.34Å; S340-A344 PolarHBondContact O-N 2.84Å |
| 341 | D | 88 | Confident | 84.6 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 31% | 0.305 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.3 | -29.2 | 178.9 | 72.4 | -60.8 | 0 | 0 | 0 | 112.6 | R339 K345 | R339-D341 VanDerWaalsContact CB-OD1 3.31Å; R339-D341 WeakPolarHBondContact CB-OD1 3.35Å; R339-D341 IonicContact CZ-OD1 2.82Å; R339-D341 VanDerWaalsContact CZ-OD1 3.31Å; R339-D341 IonicContact CZ-OD2 3.11Å; R339-D341 IonicContact NE-OD1 3.7Å; R339-D341 PolarHBondContact NE-OD1 2.84Å; R339-D341 IonicContact NE-OD2 2.82Å; R339-D341 VanDerWaalsContact NH2-CG 3.26Å; R339-D341 IonicContact NH2-OD1 2.74Å; R339-D341 PolarHBondContact NH2-OD1 3.24Å; R339-D341 VanDerWaalsContact NH2-OD1 3.08Å; R339-D341 IonicContact NH2-OD2 3.61Å; R339-D341 PolarHBondContact NH2-OD2 3.39Å; D341-K345 WeakPolarHBondContact O-CG 3.16Å; D341-K345 PolarHBondContact O-N 3.17Å |
| 342 | H | 88.7 | Confident | 83.6 | Confident | 81 Ų | 81 | 75.5 Ų | 75.5 | 38% | 0.375 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.1 | -43.9 | 169.7 | -73.6 | -150.3 | 0 | 0 | 0 | 110.7 | F337 R339 S340 K345 H346 | F337-H342 HydrophobicContact CB-CB 4.45Å; F337-H342 HydrophobicContact CD1-CB 3.94Å; F337-H342 HydrophobicContact CG-CB 4.49Å; R339-H342 HydrophobicContact CB-CB 4.17Å; R339-H342 WeakPolarHBondContact CD-NE2 3.41Å; R339-H342 PolarHBondContact NE-CD2 3.22Å; R339-H342 PolarHBondContact NE-NE2 3.1Å; R339-H342 PolarHBondContact NH1-NE2 3.32Å; R339-H342 PolarHBondContact O-N 2.85Å; S340-H342 VanDerWaalsContact C-N 3.34Å; H342-K345 PolarHBondContact O-N 3.37Å; H342-H346 WeakPolarHBondContact O-CB 3.25Å; H342-H346 PolarHBondContact O-N 3.13Å |
| 343 | L | 89.7 | Confident | 82.6 | Confident | 30 Ų | 30 | 80.6 Ų | 80.6 | 16% | 0.157 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 172.1 | 171.6 | 62.3 | 0 | 0 | 0 | 111.2 | F328 V329 C330 F337 R339 S340 K345 H346 V347 | F328-L343 HydrophobicContact CB-CB 4.24Å; F328-L343 HydrophobicContact CB-CD2 3.92Å; V329-L343 WeakPolarHBondContact O-CD2 2.98Å; C330-L343 HydrophobicContact CB-CD1 3.84Å; F337-L343 HydrophobicContact CB-CB 4.34Å; F337-L343 HydrophobicContact CD2-CB 4.06Å; F337-L343 HydrophobicContact CD2-CD1 3.94Å; F337-L343 HydrophobicContact CE2-CD1 4.14Å; F337-L343 HydrophobicContact CG-CB 4.27Å; R339-L343 PolarHBondContact O-N 2.86Å; R339-L343 VanDerWaalsContact O-N 3.17Å; S340-L343 WeakPolarHBondContact O-CB 3.43Å; S340-L343 PolarHBondContact O-N 3.38Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.3Å; L343-H346 CarbonylContact O-C 3.58Å; L343-H346 WeakPolarHBondContact O-CA 3.36Å; L343-H346 WeakPolarHBondContact O-CB 3.39Å; L343-H346 PolarHBondContact O-N 3.38Å; L343-V347 HydrophobicContact CD1-CG2 3.68Å; L343-V347 HydrophobicContact CG-CG2 4.19Å; L343-V347 WeakPolarHBondContact O-CG2 3.31Å; L343-V347 PolarHBondContact O-N 3.47Å |
| 344 | A | 88.6 | Confident | 81 | Confident | 54 Ų | 54 | 88.4 Ų | 88.4 | 45% | 0.446 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.7 | -35.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | S340 K348 | S340-A344 WeakPolarHBondContact O-CB 3.34Å; S340-A344 PolarHBondContact O-N 2.84Å; A344-K348 WeakPolarHBondContact O-CG 3.12Å |
| 345 | K | 87.8 | Confident | 79.8 | Confident | 145 Ų | 145 | 92.1 Ų | 92.1 | 63% | 0.63 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.6 | -40.9 | 169.6 | -73.6 | 174.1 | -179.7 | -179.5 | 0 | 111.8 | D341 H342 L343 K348 | D341-K345 WeakPolarHBondContact O-CG 3.16Å; D341-K345 PolarHBondContact O-N 3.17Å; H342-K345 PolarHBondContact O-N 3.37Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.3Å; K345-K348 PolarHBondContact O-N 3.34Å |
| 346 | H | 88.4 | Confident | 78.8 | Confident | 27 Ų | 27 | 95.3 Ų | 95.3 | 13% | 0.125 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.5 | -41.3 | 179.3 | 175.1 | 54.9 | 0 | 0 | 0 | 113.3 | C330 C333 F337 H342 L343 K348 T349 H350 | C330-H346 PolarHBondContact SG-CD2 3.44Å; C333-H346 PolarHBondContact SG-NE2 3.27Å; F337-H346 HydrophobicContact CE1-CB 3.98Å; F337-H346 HydrophobicContact CE2-CB 4.06Å; F337-H346 AromaticContact CE2-CD2 3.27Å; F337-H346 WeakPolarHBondContact CE2-CD2 3.48Å; F337-H346 AromaticContact CE2-CG 3.78Å; F337-H346 HydrophobicContact CZ-CB 3.54Å; F337-H346 AromaticContact CZ-CD2 3.23Å; F337-H346 WeakPolarHBondContact CZ-CD2 3.3Å; F337-H346 AromaticContact CZ-CG 3.28Å; F337-H346 AromaticContact CZ-NE2 3.91Å; H342-H346 WeakPolarHBondContact O-CB 3.25Å; H342-H346 PolarHBondContact O-N 3.13Å; L343-H346 CarbonylContact O-C 3.58Å; L343-H346 WeakPolarHBondContact O-CA 3.36Å; L343-H346 WeakPolarHBondContact O-CB 3.39Å; L343-H346 PolarHBondContact O-N 3.38Å; H346-K348 PolarHBondContact O-N 3.07Å; H346-T349 PolarHBondContact ND1-OG1 3.44Å; H346-T349 WeakPolarHBondContact O-CA 3.44Å; H346-T349 WeakPolarHBondContact O-CB 3.39Å; H346-T349 PolarHBondContact O-N 2.83Å; H346-T349 PolarHBondContact O-OG1 3.43Å; H346-H350 AromaticContact CD2-NE2 3.68Å; H346-H350 AromaticContact CE1-CE1 3.44Å; H346-H350 PolarHBondContact CE1-CE1 3.31Å; H346-H350 VanDerWaalsContact CE1-CE1 3.44Å; H346-H350 AromaticContact CE1-NE2 3.36Å; H346-H350 PolarHBondContact CE1-NE2 2.93Å; H346-H350 AromaticContact NE2-CE1 3.49Å; H346-H350 PolarHBondContact NE2-CE1 3.45Å; H346-H350 AromaticContact NE2-NE2 3.01Å; H346-H350 PolarHBondContact NE2-NE2 3.09Å |
| 347 | V | 86.4 | Confident | 77.7 | Confident | 57 Ų | 57 | 93.3 Ų | 93.3 | 35% | 0.345 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -59.5 | -34.3 | 178.1 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | L343 T349 H350 | L343-V347 HydrophobicContact CD1-CG2 3.68Å; L343-V347 HydrophobicContact CG-CG2 4.19Å; L343-V347 WeakPolarHBondContact O-CG2 3.31Å; L343-V347 PolarHBondContact O-N 3.47Å; V347-T349 PolarHBondContact O-N 2.93Å; V347-T349 VanDerWaalsContact O-N 3.16Å; V347-H350 PolarHBondContact O-N 2.88Å |
| 348 | K | 87.9 | Confident | 76.6 | Confident | 144 Ų | 144 | 98.8 Ų | 98.8 | 63% | 0.626 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -62.1 | -19.4 | 172.3 | -64.5 | 177.5 | -178.5 | -167.1 | 0 | 113.7 | A344 K345 H346 H350 Q351 | A344-K348 WeakPolarHBondContact O-CG 3.12Å; K345-K348 PolarHBondContact O-N 3.34Å; H346-K348 PolarHBondContact O-N 3.07Å; K348-H350 VanDerWaalsContact C-N 3.31Å; K348-Q351 VanDerWaalsContact O-CD 3.24Å; K348-Q351 VanDerWaalsContact O-CG 3.22Å; K348-Q351 WeakPolarHBondContact O-CG 3.37Å; K348-Q351 PolarHBondContact O-OE1 3.2Å |
| 349 | T | 85 | Confident | 75.4 | Confident | 95 Ų | 95 | 104.8 Ų | 104.8 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -78.1 | -13.7 | 174.9 | 70.3 | 0 | 0 | 0 | 0 | 113.5 | H346 V347 Q351 | H346-T349 PolarHBondContact ND1-OG1 3.44Å; H346-T349 WeakPolarHBondContact O-CA 3.44Å; H346-T349 WeakPolarHBondContact O-CB 3.39Å; H346-T349 PolarHBondContact O-N 2.83Å; H346-T349 PolarHBondContact O-OG1 3.43Å; V347-T349 PolarHBondContact O-N 2.93Å; V347-T349 VanDerWaalsContact O-N 3.16Å; T349-Q351 VanDerWaalsContact C-N 3.27Å; T349-Q351 PolarHBondContact O-N 3.48Å |
| 350 | H | 81.3 | Confident | 73.9 | Confident | 34 Ų | 34 | 111.6 Ų | 111.6 | 16% | 0.157 | 55% | 0.548 | C | S | . | . | G | 310 helix | trans | -84.8 | 7 | 177.5 | -61.6 | -46.1 | 0 | 0 | 0 | 114.4 | C330 D332 C333 H346 V347 K348 N352 K353 | C330-H350 VanDerWaalsContact SG-CD2 3.52Å; C330-H350 PolarHBondContact SG-NE2 2.88Å; D332-H350 IonicContact OD2-CD2 3.24Å; D332-H350 PolarHBondContact OD2-CD2 3.28Å; D332-H350 VanDerWaalsContact OD2-CD2 3.24Å; D332-H350 IonicContact OD2-CG 3.93Å; C333-H350 VanDerWaalsContact SG-CE1 3.56Å; C333-H350 PolarHBondContact SG-NE2 2.93Å; H346-H350 AromaticContact CD2-NE2 3.68Å; H346-H350 AromaticContact CE1-CE1 3.44Å; H346-H350 PolarHBondContact CE1-CE1 3.31Å; H346-H350 VanDerWaalsContact CE1-CE1 3.44Å; H346-H350 AromaticContact CE1-NE2 3.36Å; H346-H350 PolarHBondContact CE1-NE2 2.93Å; H346-H350 AromaticContact NE2-CE1 3.49Å; H346-H350 PolarHBondContact NE2-CE1 3.45Å; H346-H350 AromaticContact NE2-NE2 3.01Å; H346-H350 PolarHBondContact NE2-NE2 3.09Å; V347-H350 PolarHBondContact O-N 2.88Å; K348-H350 VanDerWaalsContact C-N 3.31Å; H350-N352 PolarHBondContact O-N 3.27Å; H350-K353 PolarHBondContact O-N 2.96Å |
| 351 | Q | 69.1 | Low | 72.1 | Confident | 156 Ų | 156 | 113 Ų | 113 | 73% | 0.729 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | -17.3 | -177.1 | -81.5 | 172.5 | -9.1 | 0 | 0 | 115.1 | K348 T349 | K348-Q351 VanDerWaalsContact O-CD 3.24Å; K348-Q351 VanDerWaalsContact O-CG 3.22Å; K348-Q351 WeakPolarHBondContact O-CG 3.37Å; K348-Q351 PolarHBondContact O-OE1 3.2Å; T349-Q351 VanDerWaalsContact C-N 3.27Å; T349-Q351 PolarHBondContact O-N 3.48Å |
| 352 | N | 59.9 | Low | 70.3 | Confident | 162 Ų | 162 | 116.2 Ų | 116.2 | 87% | 0.866 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.7 | 15.4 | 173.3 | -75 | -54.5 | 0 | 0 | 0 | 115.5 | H350 | H350-N352 PolarHBondContact O-N 3.27Š|
| 353 | K | 61.3 | Low | 68.5 | Low | 150 Ų | 150 | 117.1 Ų | 117.1 | 65% | 0.652 | 57% | 0.573 | S | S | * | * | trans | -141.2 | 94.6 | 177.1 | -78.5 | -170.9 | 175.3 | 177.2 | 0 | 113.2 | H350 N355 | H350-K353 PolarHBondContact O-N 2.96Å; K353-N355 VanDerWaalsContact C-N 3.35Å; K353-N355 PolarHBondContact O-N 3.41Å; K353-N355 VanDerWaalsContact O-N 3.1Å | ||
| 354 | K | 52.2 | Low | 66.6 | Low | 200 Ų | 200 | 121.3 Ų | 121.3 | 87% | 0.87 | 59% | 0.591 | S | S | * | * | trans | -77.5 | 81.6 | 164.9 | -74.3 | -178.6 | 178.2 | 174.1 | 0 | 110.7 | ||||
| 355 | N | 59.2 | Low | 64.8 | Low | 107 Ų | 107 | 124 Ų | 124 | 57% | 0.572 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 144.5 | 154 | -65.9 | 3.7 | 0 | 0 | 0 | 107.1 | D332 K353 | D332-N355 CarbonylContact C-O 3.42Å; D332-N355 CarbonylContact O-C 3.5Å; K353-N355 VanDerWaalsContact C-N 3.35Å; K353-N355 PolarHBondContact O-N 3.41Å; K353-N355 VanDerWaalsContact O-N 3.1Å |
| 356 | K | 60.5 | Low | 63 | Low | 190 Ų | 190 | 120 Ų | 120 | 83% | 0.826 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 139 | 174 | -77.3 | -176.4 | 175.7 | 179.8 | 0 | 109.9 | D332 | D332-K356 CarbonylContact O-C 3.41Å; D332-K356 VanDerWaalsContact O-C 3.23Å |
| 357 | C | 62.3 | Low | 60.9 | Low | 48 Ų | 48 | 125 Ų | 125 | 32% | 0.324 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -74.9 | 128.2 | 172.5 | -178 | 0 | 0 | 0 | 0 | 110.2 | P331 D332 C334 | P331-C357 WeakPolarHBondContact O-CB 3.36Å; D332-C357 PolarHBondContact O-N 2.9Å; C334-C357 VanDerWaalsContact CA-SG 3.6Å; C334-C357 HydrophobicContact CB-CB 4.24Å; C334-C357 WeakPolarHBondContact CB-SG 3.41Å; C334-C357 WeakPolarHBondContact SG-CA 3.46Å; C334-C357 WeakPolarHBondContact SG-CB 3.32Å; C334-C357 CovalentContact SG-SG 2.03Å; C334-C357 PolarHBondContact SG-SG 3.02Å |
| 358 | H | 60.1 | Low | 58.9 | Low | 157 Ų | 157 | 129.8 Ų | 129.8 | 73% | 0.727 | 62% | 0.615 | S | S | * | * | trans | -97.2 | 114.5 | 167.8 | -81.4 | -76.6 | 0 | 0 | 0 | 109.7 | K360 | H358-K360 PolarHBondContact O-N 3.12Å; H358-K360 VanDerWaalsContact O-N 3.12Å | ||
| 359 | E | 56.4 | Low | 56.9 | Low | 170 Ų | 170 | 126.8 Ų | 126.8 | 79% | 0.794 | 60% | 0.603 | S | S | * | * | G | 310 helix | trans | -64.5 | -17.7 | -166 | -163.1 | 166.7 | -176.7 | 0 | 0 | 115.3 | T361 F362 | E359-T361 PolarHBondContact O-N 2.93Å; E359-F362 PolarHBondContact O-N 2.93Å |
| 360 | K | 51.3 | Low | 54.9 | Low | 209 Ų | 209 | 127.1 Ų | 127.1 | 91% | 0.909 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -64.7 | -0.6 | -171.6 | -63.7 | -172.8 | 176.3 | -175.9 | 0 | 116.4 | H358 | H358-K360 PolarHBondContact O-N 3.12Å; H358-K360 VanDerWaalsContact O-N 3.12Å |
| 361 | T | 51.2 | Low | 53.2 | Low | 99 Ų | 99 | 133.4 Ų | 133.4 | 61% | 0.607 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -99.8 | 4.2 | 178.9 | 56.3 | 0 | 0 | 0 | 0 | 114.1 | E359 | E359-T361 PolarHBondContact O-N 2.93Š|
| 362 | F | 49.2 | Very low | 52.1 | Low | 126 Ų | 126 | 134.2 Ų | 134.2 | 55% | 0.553 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65.2 | -52.2 | -175.3 | -171.9 | -105.6 | 0 | 0 | 0 | 113.7 | E359 | E359-F362 PolarHBondContact O-N 2.93Å |
| 363 | D | 51.4 | Low | 51.3 | Low | 100 Ų | 100 | 133.5 Ų | 133.5 | 54% | 0.535 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -75.5 | -35.2 | -170.7 | -74.6 | -79 | 0 | 0 | 0 | 115.5 | H365 K367 | D363-H365 VanDerWaalsContact C-N 3.29Å; D363-H365 PolarHBondContact O-N 3.47Å; D363-K367 PolarHBondContact O-N 3.01Å |
| 364 | H | 49.7 | Very low | 50.1 | Low | 117 Ų | 117 | 135.6 Ų | 135.6 | 54% | 0.542 | 65% | 0.651 | S | S | . | * | H | α-helix | trans | -69 | -28.5 | -169.3 | -158.9 | -29.5 | 0 | 0 | 0 | 112.6 | R368 | H364-R368 VanDerWaalsContact CE1-CZ 3.45Å |
| 365 | H | 49.4 | Very low | 50 | Low | 112 Ų | 112 | 132.4 Ų | 132.4 | 52% | 0.519 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -84.2 | -28.4 | -176 | -147 | -37.6 | 0 | 0 | 0 | 113.4 | D363 E369 | D363-H365 VanDerWaalsContact C-N 3.29Å; D363-H365 PolarHBondContact O-N 3.47Å; H365-E369 IonicContact CE1-OE1 3.48Å; H365-E369 IonicContact ND1-OE1 2.77Å |
| 366 | V | 51.6 | Low | 49.5 | Very low | 59 Ų | 59 | 133.7 Ų | 133.7 | 36% | 0.358 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -73.8 | -51.7 | 178.2 | -178.1 | 0 | 0 | 0 | 0 | 110.1 | R368 E369 D370 | V366-R368 PolarHBondContact O-N 3.23Å; V366-E369 PolarHBondContact O-N 2.94Å; V366-D370 PolarHBondContact O-N 3.31Å |
| 367 | K | 44 | Very low | 48.9 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 58% | 0.583 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -59.2 | -24 | 179.4 | -67.9 | -178.7 | 178.6 | 177.1 | 0 | 114.2 | D363 | D363-K367 PolarHBondContact O-N 3.01Å |
| 368 | R | 44.2 | Very low | 48.1 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 59% | 0.592 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -82.7 | -9.2 | 176.4 | -95.9 | -173.4 | 171.3 | 161.1 | -0.7 | 114.7 | H364 V366 R372 | H364-R368 VanDerWaalsContact CE1-CZ 3.45Å; V366-R368 PolarHBondContact O-N 3.23Å; R368-R372 PolarHBondContact O-NE 3.3Å; R368-R372 PolarHBondContact O-NH2 3.19Å |
| 369 | E | 44.8 | Very low | 47.3 | Very low | 80 Ų | 80 | 134.1 Ų | 134.1 | 37% | 0.374 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -100.8 | -35.9 | 174.4 | -69.5 | -178.3 | 173.2 | 0 | 0 | 110.8 | H365 V366 R372 | H365-E369 IonicContact CE1-OE1 3.48Å; H365-E369 IonicContact ND1-OE1 2.77Å; V366-E369 PolarHBondContact O-N 2.94Å; E369-R372 PolarHBondContact O-N 3.18Å |
| 370 | D | 43.8 | Very low | 46.7 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 55% | 0.551 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -62.1 | -43.4 | 173.5 | -60.7 | -38 | 0 | 0 | 0 | 112.4 | V366 R372 N373 | V366-D370 PolarHBondContact O-N 3.31Å; D370-R372 PolarHBondContact O-N 3.32Å; D370-R372 VanDerWaalsContact O-N 3.16Å; D370-N373 PolarHBondContact O-N 2.96Å |
| 371 | M | 44.8 | Very low | 46.4 | Very low | 165 Ų | 165 | 126.2 Ų | 126.2 | 81% | 0.813 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 2.7 | 177.2 | -70.7 | -169.8 | 178.9 | 0 | 0 | 115.3 | ||
| 372 | R | 46.7 | Very low | 46 | Very low | 174 Ų | 174 | 128.3 Ų | 128.3 | 66% | 0.657 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 1.5 | 176.5 | -105 | -177.8 | -63.4 | 160 | 6.2 | 113.9 | R368 E369 D370 | R368-R372 PolarHBondContact O-NE 3.3Å; R368-R372 PolarHBondContact O-NH2 3.19Å; E369-R372 PolarHBondContact O-N 3.18Å; D370-R372 PolarHBondContact O-N 3.32Å; D370-R372 VanDerWaalsContact O-N 3.16Å |
| 373 | N | 43.2 | Very low | 45.8 | Very low | 146 Ų | 146 | 128.5 Ų | 128.5 | 78% | 0.781 | 62% | 0.624 | S | S | * | * | trans | -122.4 | 22.7 | -179.3 | -74.7 | -39.3 | 0 | 0 | 0 | 112.6 | D370 | D370-N373 PolarHBondContact O-N 2.96Š| ||
| 374 | V | 35.7 | Very low | 45.3 | Very low | 195 Ų | 195 | 131.1 Ų | 131.1 | 100% | 1.182 | 63% | 0.632 | S | S | * | * | trans | -119.3 | 0 | 173.7 | -179.4 | 0 | 0 | 0 | 0 | 108.5 |
Retrieved 374 of 374 residues in 426.9 ms
(Link to these results)