| 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 | 35.9 | Very low | 33.1 | Very low | 249 Ų | 249 | 143.9 Ų | 143.9 | 100% | 1.227 | 81% | 0.81 | S | S | * | * | 0 | 136.4 | 0 | -61 | 176.8 | -178.5 | 0 | 0 | 106.8 | |||||
| 2 | A | 34.8 | Very low | 32.6 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | cis | -131.3 | -169.2 | -2.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 3 | S | 33.7 | Very low | 32.5 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -120.3 | 168.1 | -166.2 | -49.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 4 | S | 39.4 | Very low | 32.3 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 71.7 | 168 | 157.8 | -131.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 5 | E | 32.9 | Very low | 32.2 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | cis | -137.3 | 131.5 | 9.9 | -58.6 | 173.2 | 168.6 | 0 | 0 | 108.5 | ||||
| 6 | V | 35.5 | Very low | 32.1 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | 34.3 | 118.8 | 93 | -176.4 | 0 | 0 | 0 | 0 | 116.1 | V8 | V6-V8 HydrophobicContact CG1-CG2 4.44Š| |||
| 7 | N | 29 | Very low | 32.2 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -146.8 | 154.9 | 148.9 | -163.7 | 5.6 | 0 | 0 | 0 | 109.7 | ||||
| 8 | V | 30.7 | Very low | 32.3 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 59% | 0.594 | 78% | 0.783 | S | S | * | * | trans | -131.5 | 147.9 | -168.6 | 176.1 | 0 | 0 | 0 | 0 | 110.1 | V6 V10 | V6-V8 HydrophobicContact CG1-CG2 4.44Å; V8-V10 HydrophobicContact CG1-CG2 4.03Å | ||
| 9 | H | 27.6 | Very low | 32.9 | Very low | 184 Ų | 184 | 137.1 Ų | 137.1 | 85% | 0.852 | 79% | 0.787 | S | S | * | * | trans | -144.9 | 154.7 | 162.9 | -110.5 | 58.2 | 0 | 0 | 0 | 112.6 | ||||
| 10 | V | 34 | Very low | 32.6 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -153.2 | 149.6 | -161.1 | 179.7 | 0 | 0 | 0 | 0 | 106.4 | V8 | V8-V10 HydrophobicContact CG1-CG2 4.03Š| ||
| 11 | E | 31.2 | Very low | 32.4 | Very low | 155 Ų | 155 | 135.3 Ų | 135.3 | 72% | 0.724 | 79% | 0.787 | S | S | * | * | cis | -110.6 | -122 | 9.3 | -158.2 | -169.1 | 90.3 | 0 | 0 | 113.4 | V13 | E11-V13 PolarHBondContact OE1-N 3.19Š| ||
| 12 | E | 27.1 | Very low | 32.2 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | cis | -138.3 | 138.9 | 10.1 | -176.5 | -174.9 | 122.3 | 0 | 0 | 110.5 | ||||
| 13 | V | 30.7 | Very low | 31.9 | Very low | 106 Ų | 106 | 126.9 Ų | 126.9 | 64% | 0.642 | 76% | 0.763 | S | S | * | * | trans | -126.4 | 116 | -179.9 | 179 | 0 | 0 | 0 | 0 | 112.2 | E11 V15 | E11-V13 PolarHBondContact OE1-N 3.19Å; V13-V15 HydrophobicContact CG1-CG2 4.32Å | ||
| 14 | V | 29.3 | Very low | 31.7 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | -90.1 | 117.2 | 173.8 | 179 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 15 | V | 31 | Very low | 31.2 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 67% | 0.673 | 78% | 0.777 | S | S | * | * | trans | -98.1 | 138.2 | 175.8 | 177.9 | 0 | 0 | 0 | 0 | 110.2 | V13 T17 | V13-V15 HydrophobicContact CG1-CG2 4.32Å; V15-T17 HydrophobicContact CG1-CG2 4.06Å | ||
| 16 | V | 30.4 | Very low | 30.9 | Very low | 134 Ų | 134 | 127.9 Ų | 127.9 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | -120.3 | 107.9 | 170 | 180 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 17 | T | 34.9 | Very low | 30.6 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 132 | 173.6 | 46.2 | 0 | 0 | 0 | 0 | 111.1 | V15 | V15-T17 HydrophobicContact CG1-CG2 4.06Š|
| 18 | T | 33.4 | Very low | 30.7 | Very low | 131 Ų | 131 | 123.9 Ų | 123.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -82 | 143.8 | 166.8 | 47.6 | 0 | 0 | 0 | 0 | 111.2 | ||
| 19 | P | 43.3 | Very low | 30.8 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 164 | 179.7 | 35.3 | -36.2 | 0 | 0 | 0 | 113.3 | ||
| 20 | D | 28.1 | Very low | 31 | Very low | 171 Ų | 171 | 125 Ų | 125 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | trans | -124.4 | 159.5 | 171.5 | -173 | 15.4 | 0 | 0 | 0 | 109.8 | ||||
| 21 | G | 27.8 | Very low | 30.8 | Very low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | -169.4 | 123.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 22 | A | 32.2 | Very low | 30.6 | Very low | 113 Ų | 113 | 128 Ų | 128 | 93% | 0.934 | 80% | 0.801 | S | S | * | * | trans | -75.4 | 169.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 23 | G | 28.5 | Very low | 30.5 | Very low | 62 Ų | 62 | 126 Ų | 126 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | cis | -178 | -152.5 | 6.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 24 | E | 28.9 | Very low | 30.3 | Very low | 215 Ų | 215 | 129.2 Ų | 129.2 | 100% | 1.005 | 81% | 0.813 | S | S | * | * | trans | 67.2 | 145.9 | -171 | -48.2 | -173.7 | 108.2 | 0 | 0 | 113.8 | ||||
| 25 | G | 28.7 | Very low | 30.2 | Very low | 80 Ų | 80 | 129.4 Ų | 129.4 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | cis | 160.9 | 147.6 | -9.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 26 | S | 27.2 | Very low | 30 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 86% | 0.86 | 82% | 0.82 | S | S | * | * | cis | -166.9 | 167.3 | -10.3 | -164.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 27 | A | 28.3 | Very low | 29.9 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | 59.8 | 113.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 28 | A | 31.8 | Very low | 29.5 | Very low | 103 Ų | 103 | 131.6 Ų | 131.6 | 85% | 0.851 | 83% | 0.825 | S | S | * | * | trans | -158.3 | 156.7 | 140 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 29 | E | 32.5 | Very low | 29.2 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | trans | -89.8 | 175.1 | -175.5 | -56.3 | -178 | 123.3 | 0 | 0 | 111.6 | ||||
| 30 | V | 31.1 | Very low | 28.3 | Very low | 119 Ų | 119 | 133.8 Ų | 133.8 | 72% | 0.721 | 83% | 0.828 | S | S | * | * | cis | -158.7 | 136.3 | 42.7 | 171.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 31 | K | 30.1 | Very low | 28.4 | Very low | 193 Ų | 193 | 134.3 Ų | 134.3 | 84% | 0.839 | 83% | 0.825 | S | S | * | * | trans | 27.9 | 123.9 | 153.6 | -61.5 | 169.9 | -179.1 | 169 | 0 | 121.9 | ||||
| 32 | T | 26.9 | Very low | 28.5 | Very low | 137 Ų | 137 | 137.2 Ų | 137.2 | 84% | 0.84 | 83% | 0.832 | S | S | * | * | trans | -75.9 | 154 | 148.8 | 47.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 33 | V | 25.9 | Very low | 28.2 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 77% | 0.77 | 83% | 0.827 | S | S | * | * | trans | -139.5 | 122.5 | 161.1 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | V35 | V33-V35 HydrophobicContact CG1-CG2 4.08Š| ||
| 34 | L | 26.2 | Very low | 28.2 | Very low | 173 Ų | 173 | 142 Ų | 142 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | trans | -100 | 140 | 164.5 | -76.9 | 158.7 | 0 | 0 | 0 | 108.3 | ||||
| 35 | V | 26 | Very low | 28 | Very low | 122 Ų | 122 | 141 Ų | 141 | 74% | 0.739 | 84% | 0.836 | S | S | * | * | trans | -129.1 | 111.6 | 164.9 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | V33 T37 | V33-V35 HydrophobicContact CG1-CG2 4.08Å; V35-T37 HydrophobicContact CG1-CG2 4.24Å | ||
| 36 | A | 27.4 | Very low | 28.1 | Very low | 97 Ų | 97 | 145 Ų | 145 | 80% | 0.802 | 84% | 0.837 | S | S | * | * | trans | -89.9 | 146.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 37 | T | 29.5 | Very low | 28.2 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 79% | 0.791 | 83% | 0.833 | S | S | * | * | trans | -120.5 | 108.1 | 170.4 | 47.6 | 0 | 0 | 0 | 0 | 109.2 | V35 | V35-T37 HydrophobicContact CG1-CG2 4.24Š| ||
| 38 | E | 26.6 | Very low | 28.1 | Very low | 189 Ų | 189 | 147 Ų | 147 | 88% | 0.883 | 84% | 0.838 | S | S | * | * | trans | -68 | 153.9 | 164.5 | -60 | -179.7 | 119.8 | 0 | 0 | 109.7 | ||||
| 39 | L | 25.3 | Very low | 28 | Very low | 175 Ų | 175 | 145.1 Ų | 145.1 | 92% | 0.916 | 83% | 0.828 | S | S | * | * | trans | -121.2 | 113.2 | 178.7 | -155.5 | 78.8 | 0 | 0 | 0 | 110.4 | ||||
| 40 | T | 25.3 | Very low | 27.7 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 81% | 0.81 | 83% | 0.825 | S | S | * | * | trans | -81.2 | 145.7 | -179.8 | -51.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 41 | Q | 29.6 | Very low | 27.8 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | -61.4 | 159 | 172.9 | -62.8 | 173.4 | -12.9 | 0 | 0 | 112.4 | ||||
| 42 | P | 29.9 | Very low | 27.8 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | -145.8 | 153.9 | 115.3 | 37.9 | -25 | 0 | 0 | 0 | 115.9 | |||||
| 43 | G | 26.3 | Very low | 28.1 | Very low | 80 Ų | 80 | 140.9 Ų | 140.9 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | 86.1 | 110.5 | 139.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 44 | E | 29.5 | Very low | 28.3 | Very low | 197 Ų | 197 | 142.1 Ų | 142.1 | 92% | 0.921 | 82% | 0.819 | S | S | * | * | trans | -94.2 | 140.2 | 155.3 | -61.3 | 175.1 | 110.2 | 0 | 0 | 109.6 | ||||
| 45 | E | 24.3 | Very low | 28.6 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -151.2 | 168.2 | 150.9 | -136.2 | -177.6 | 146.3 | 0 | 0 | 111.3 | ||||
| 46 | L | 30.3 | Very low | 28.7 | Very low | 162 Ų | 162 | 142.6 Ų | 142.6 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | -104.8 | 178.9 | -157.5 | -76.2 | 79.8 | 0 | 0 | 0 | 115.2 | ||||
| 47 | A | 30.1 | Very low | 28.8 | Very low | 95 Ų | 95 | 142 Ų | 142 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | 100.2 | 115.4 | 173 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 48 | D | 25 | Very low | 28.9 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | cis | 80.7 | 140.8 | 38.3 | -162.7 | 29.4 | 0 | 0 | 0 | 114.6 | ||||
| 49 | G | 29.6 | Very low | 29 | Very low | 64 Ų | 64 | 139.3 Ų | 139.3 | 66% | 0.66 | 82% | 0.816 | S | S | * | * | trans | 109.1 | 90.9 | -164.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 50 | S | 26.7 | Very low | 29.1 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | 68.4 | 103.2 | 55.8 | -166 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 51 | I | 34 | Very low | 29.5 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 82% | 0.815 | 81% | 0.807 | S | S | * | * | -175.8 | 163.5 | 107.8 | -165.5 | 156 | 0 | 0 | 0 | 111.2 | |||||
| 52 | E | 30.1 | Very low | 29.6 | Very low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | -85.1 | 154.1 | -175.7 | -57.7 | 140.5 | 129 | 0 | 0 | 113.1 | ||||
| 53 | S | 32 | Very low | 29.9 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | 173.4 | 158.8 | 99.5 | -111.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 54 | E | 31.2 | Very low | 30.3 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 71% | 0.71 | 79% | 0.794 | S | S | * | * | trans | -69.5 | 157 | -176.4 | 55.1 | -95.6 | 69.6 | 0 | 0 | 116.4 | ||||
| 55 | T | 32.7 | Very low | 30.5 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 91% | 0.908 | 79% | 0.786 | S | S | * | * | -162.6 | 158.2 | 127 | 10.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 56 | D | 26.6 | Very low | 30.8 | Very low | 157 Ų | 157 | 132.5 Ų | 132.5 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | -76.7 | 160.1 | -166.4 | -178.9 | 34 | 0 | 0 | 0 | 115.5 | ||||
| 57 | A | 29.9 | Very low | 30.9 | Very low | 84 Ų | 84 | 131.9 Ų | 131.9 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | trans | 147 | 130 | 148.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 58 | T | 32.1 | Very low | 31.1 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -79.8 | 128.8 | -173.7 | -64.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 59 | T | 28.1 | Very low | 31.4 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -148 | 124.1 | 160.7 | -21.5 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 60 | T | 27.8 | Very low | 31.5 | Very low | 111 Ų | 111 | 138 Ų | 138 | 68% | 0.681 | 78% | 0.78 | S | S | * | * | trans | 37.3 | 130.5 | 149.6 | 56.4 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 61 | L | 33.2 | Very low | 31.9 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | trans | 48.7 | 121.6 | 132.1 | -67.5 | 160.8 | 0 | 0 | 0 | 120.4 | K63 | L61-K63 PolarHBondContact O-N 3.35Š| ||
| 62 | T | 32.5 | Very low | 31.7 | Very low | 145 Ų | 145 | 133.5 Ų | 133.5 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | trans | -71.4 | 106.2 | 174.6 | 50.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 63 | K | 36.7 | Very low | 32.5 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 68% | 0.683 | 78% | 0.779 | S | S | * | * | trans | -27.2 | 163.3 | 135.9 | -73.2 | 163.7 | 148.1 | -89.7 | 0 | 114.8 | L61 | L61-K63 PolarHBondContact O-N 3.35Š| ||
| 64 | E | 33.7 | Very low | 32.8 | Very low | 138 Ų | 138 | 137.6 Ų | 137.6 | 65% | 0.645 | 78% | 0.783 | S | S | * | * | cis | -159 | 149.2 | -7.5 | -106.8 | 154.1 | 163.7 | 0 | 0 | 105 | ||||
| 65 | A | 33.4 | Very low | 33.4 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | 56.4 | 66.5 | 57.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | L67 | A65-L67 PolarHBondContact O-N 3.41Š| |||
| 66 | V | 30.6 | Very low | 33.9 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | trans | -75 | 111.2 | 169.5 | 177.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 67 | L | 32.9 | Very low | 34.9 | Very low | 148 Ų | 148 | 134.7 Ų | 134.7 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | -80.4 | 125.3 | 172.4 | 177.9 | 78.1 | 0 | 0 | 0 | 110.5 | A65 | A65-L67 PolarHBondContact O-N 3.41Š| ||
| 68 | V | 33.6 | Very low | 36.3 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | -125.6 | 133.3 | 153.1 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 69 | K | 31.1 | Very low | 38.4 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | trans | -118.7 | 144 | -171.7 | 174.6 | 179.4 | 178.4 | 178.5 | 0 | 109.4 | ||||
| 70 | L | 33.6 | Very low | 41.3 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | trans | 150.1 | 99.3 | 155.5 | -83.2 | 164.1 | 0 | 0 | 0 | 106.2 | ||||
| 71 | S | 35 | Very low | 44.5 | Very low | 110 Ų | 110 | 126.8 Ų | 126.8 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | 88.4 | 101 | 82.2 | -75.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 72 | G | 29.4 | Very low | 47.5 | Very low | 68 Ų | 68 | 122.2 Ų | 122.2 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | trans | 168.3 | 97 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | M74 | G72-M74 PolarHBondContact O-N 2.96Š| ||
| 73 | E | 45.8 | Very low | 50.4 | Low | 195 Ų | 195 | 118.7 Ų | 118.7 | 91% | 0.911 | 67% | 0.666 | S | S | * | * | trans | -73.1 | 103.9 | -177.7 | 52.4 | -112 | 77 | 0 | 0 | 113.1 | ||||
| 74 | M | 38.9 | Very low | 53.3 | Low | 168 Ų | 168 | 111.3 Ų | 111.3 | 83% | 0.828 | 63% | 0.634 | S | S | * | * | trans | -141.4 | 133.6 | 161.4 | -172 | 168.7 | -179.8 | 0 | 0 | 110.3 | G72 V76 | G72-M74 PolarHBondContact O-N 2.96Å; M74-V76 PolarHBondContact O-N 2.99Å | ||
| 75 | D | 43.4 | Very low | 56.3 | Low | 139 Ų | 139 | 106.7 Ų | 106.7 | 74% | 0.743 | 62% | 0.615 | S | S | * | * | trans | -64.2 | 124 | 172.6 | 173.2 | 29.6 | 0 | 0 | 0 | 110.7 | E77 | D75-E77 PolarHBondContact OD1-N 3.39Š| ||
| 76 | V | 43.7 | Very low | 59.2 | Low | 121 Ų | 121 | 102.3 Ų | 102.3 | 73% | 0.733 | 58% | 0.578 | S | S | * | * | trans | -138.9 | 78.5 | 166.4 | -171.4 | 0 | 0 | 0 | 0 | 107.7 | M74 A78 | M74-V76 PolarHBondContact O-N 2.99Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.33Å | ||
| 77 | E | 48.2 | Very low | 62 | Low | 135 Ų | 135 | 97.7 Ų | 97.7 | 63% | 0.631 | 56% | 0.559 | S | S | * | * | trans | -53.9 | 93.9 | 168.1 | -173.7 | -154.2 | -160.9 | 0 | 0 | 110 | D75 D79 K96 | D75-E77 PolarHBondContact OD1-N 3.39Å; E77-D79 PolarHBondContact O-N 3.19Å; E77-D79 VanDerWaalsContact O-N 3.12Å; E77-K96 VanDerWaalsContact CD-NZ 3.29Å; E77-K96 PolarHBondContact O-NZ 2.81Å; E77-K96 WeakPolarHBondContact OE2-CE 3.27Å; E77-K96 IonicContact OE2-NZ 2.71Å; E77-K96 PolarHBondContact OE2-NZ 3.39Å | ||
| 78 | A | 57.8 | Low | 64.7 | Low | 78 Ų | 78 | 97.8 Ų | 97.8 | 65% | 0.645 | 56% | 0.56 | S | S | * | * | trans | -50.2 | 119 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V76 V80 | V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.33Å; A78-V80 PolarHBondContact O-N 2.93Å | ||
| 79 | D | 75.9 | Confident | 67.7 | Low | 73 Ų | 73 | 93 Ų | 93 | 39% | 0.39 | 53% | 0.531 | S | S | . | . | trans | -64 | 110.4 | -179.7 | -110.7 | 30.8 | 0 | 0 | 0 | 109.2 | E77 V81 V94 K96 | E77-D79 PolarHBondContact O-N 3.19Å; E77-D79 VanDerWaalsContact O-N 3.12Å; D79-V81 WeakPolarHBondContact O-CG1 3.42Å; D79-V81 PolarHBondContact O-N 3.32Å; D79-V81 VanDerWaalsContact O-N 3.12Å; D79-V94 HydrophobicContact CB-CG1 4.38Å; D79-V94 WeakPolarHBondContact OD2-CG1 3.26Å; D79-K96 WeakPolarHBondContact OD1-CD 3.49Å; D79-K96 WeakPolarHBondContact OD1-CE 3.28Å; D79-K96 IonicContact OD1-NZ 3.59Å; D79-K96 PolarHBondContact OD1-NZ 3Å | ||
| 80 | V | 90.9 | Very high | 70.7 | Confident | 63 Ų | 63 | 93 Ų | 93 | 38% | 0.382 | 53% | 0.531 | S | S | . | . | trans | -61 | 117.7 | -179.6 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | A78 Y82 W95 | A78-V80 PolarHBondContact O-N 2.93Å; V80-Y82 HydrophobicContact CG1-CD2 4.45Å; V80-Y82 HydrophobicContact CG1-CE2 3.67Å; V80-W95 HydrophobicContact CB-CB 4.17Å; V80-W95 HydrophobicContact CB-CE3 4.04Å; V80-W95 HydrophobicContact CG1-CB 4.25Å; V80-W95 HydrophobicContact CG1-CE3 4.25Å; V80-W95 HydrophobicContact CG2-CE3 4.33Å; V80-W95 WeakPolarHBondContact O-CB 3.4Å; V80-W95 PolarHBondContact O-N 2.91Å | ||
| 81 | V | 94.6 | Very high | 73.7 | Confident | 78 Ų | 78 | 86.2 Ų | 86.2 | 47% | 0.473 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 137.6 | -173.2 | -81.4 | 0 | 0 | 0 | 0 | 111.7 | D79 T92 L93 V94 | D79-V81 WeakPolarHBondContact O-CG1 3.42Å; D79-V81 PolarHBondContact O-N 3.32Å; D79-V81 VanDerWaalsContact O-N 3.12Å; V81-T92 HydrophobicContact CB-CG2 3.56Å; V81-T92 HydrophobicContact CG1-CG2 3.67Å; V81-T92 HydrophobicContact CG2-CG2 4.41Å; V81-L93 WeakPolarHBondContact CA-O 3.16Å; V81-V94 HydrophobicContact CG1-CG2 4.2Å |
| 82 | Y | 94.8 | Very high | 76.6 | Confident | 65 Ų | 65 | 83.3 Ų | 83.3 | 26% | 0.255 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 123.6 | 179 | -66.6 | -90.9 | 0 | 0 | 0 | 110.5 | V80 V84 L93 W95 V138 L152 | V80-Y82 HydrophobicContact CG1-CD2 4.45Å; V80-Y82 HydrophobicContact CG1-CE2 3.67Å; Y82-V84 PolarHBondContact O-N 3.1Å; Y82-L93 PolarHBondContact N-O 3.34Å; Y82-L93 PolarHBondContact O-N 2.87Å; Y82-W95 HydrophobicContact CD2-CB 4.09Å; Y82-W95 HydrophobicContact CE2-CB 3.81Å; Y82-W95 AromaticContact CE2-CG 3.92Å; Y82-W95 HydrophobicContact CE2-CG 3.92Å; Y82-V138 HydrophobicContact CD1-CG1 4.33Å; Y82-L152 HydrophobicContact CD1-CD1 4.34Å; Y82-L152 HydrophobicContact CD2-CD1 3.69Å; Y82-L152 HydrophobicContact CE1-CD1 4.06Å; Y82-L152 HydrophobicContact CE2-CD1 3.35Å; Y82-L152 HydrophobicContact CG-CD1 4.17Å |
| 83 | P | 95.3 | Very high | 79.8 | Confident | 72 Ų | 72 | 80.1 Ų | 80.1 | 47% | 0.468 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 120 | 176 | 27.5 | -33.6 | 0 | 0 | 0 | 110.2 | V138 | P83-V138 WeakPolarHBondContact O-CA 3.38Å |
| 84 | V | 96.5 | Very high | 82.1 | Confident | 2 Ų | 2 | 71.4 Ų | 71.4 | 1% | 0.012 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 151.3 | -178.5 | -74.8 | 0 | 0 | 0 | 0 | 112.2 | Y82 K90 A91 L93 V108 F120 I136 R137 V138 I143 | Y82-V84 PolarHBondContact O-N 3.1Å; V84-K90 WeakPolarHBondContact O-CA 3.27Å; V84-A91 VanDerWaalsContact CG2-C 3.5Å; V84-A91 HydrophobicContact CG2-CB 3.96Å; V84-A91 VanDerWaalsContact CG2-O 3.27Å; V84-A91 WeakPolarHBondContact CG2-O 3.33Å; V84-A91 PolarHBondContact N-O 2.99Å; V84-A91 PolarHBondContact O-N 2.82Å; V84-L93 HydrophobicContact CG1-CB 3.73Å; V84-L93 HydrophobicContact CG1-CD2 4.44Å; V84-L93 HydrophobicContact CG2-CB 4.15Å; V84-V108 HydrophobicContact CG2-CG1 4.13Å; V84-F120 HydrophobicContact CG2-CE1 4.29Å; V84-I136 HydrophobicContact CB-CG2 3.78Å; V84-I136 HydrophobicContact CG1-CG2 3.84Å; V84-R137 CarbonylContact C-O 3.49Å; V84-R137 WeakPolarHBondContact CA-O 3.26Å; V84-V138 HydrophobicContact CG1-CG2 3.59Å; V84-I143 HydrophobicContact CG1-CD1 4.11Å |
| 85 | T | 95.8 | Very high | 84.8 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 25% | 0.252 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 144.1 | -179.4 | 54.8 | 0 | 0 | 0 | 0 | 110 | V89 K90 I136 R137 | T85-V89 CarbonylContact C-O 3.51Å; T85-V89 VanDerWaalsContact CA-O 3.3Å; T85-V89 WeakPolarHBondContact CA-O 3.45Å; T85-K90 HydrophobicContact CG2-CG 4.18Å; T85-I136 CarbonylContact O-C 3.59Å; T85-I136 WeakPolarHBondContact O-CA 3.49Å; T85-R137 PolarHBondContact N-O 3.29Å; T85-R137 PolarHBondContact O-N 2.95Å; T85-R137 PolarHBondContact OG1-O 3.47Å |
| 86 | C | 95.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 110.7 | 171.9 | -168.5 | 0 | 0 | 0 | 0 | 108.8 | D88 V89 F120 A124 A135 I136 | C86-D88 PolarHBondContact O-N 2.97Å; C86-V89 PolarHBondContact N-O 3.25Å; C86-V89 PolarHBondContact O-N 2.86Å; C86-V89 VanDerWaalsContact O-N 3.13Å; C86-F120 HydrophobicContact CB-CD1 3.98Å; C86-F120 HydrophobicContact CB-CE1 3.45Å; C86-F120 VanDerWaalsContact CB-CE1 3.45Å; C86-F120 HydrophobicContact CB-CZ 3.84Å; C86-A124 HydrophobicContact CB-CB 3.72Å; C86-A124 VanDerWaalsContact O-CB 3.29Å; C86-A124 WeakPolarHBondContact O-CB 3.31Å; C86-A135 PolarHBondContact SG-O 2.9Å; C86-A135 VanDerWaalsContact SG-O 3.33Å; C86-I136 HydrophobicContact CB-CG1 4.49Å |
| 87 | G | 89.6 | Confident | 89.5 | Confident | 40 Ų | 40 | 61.8 Ų | 61.8 | 41% | 0.412 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | -125.9 | -160.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 88 | D | 90.6 | Very high | 91.7 | Very high | 150 Ų | 150 | 55.4 Ų | 55.4 | 80% | 0.802 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -9.8 | -176.9 | -43.8 | -78.7 | 0 | 0 | 0 | 112.7 | C86 | C86-D88 PolarHBondContact O-N 2.97Š|
| 89 | V | 94.8 | Very high | 93.5 | Very high | 37 Ų | 37 | 53.6 Ų | 53.6 | 22% | 0.224 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 134.6 | -178.5 | -168.5 | 0 | 0 | 0 | 0 | 110.6 | T85 C86 F110 F120 A124 | T85-V89 CarbonylContact C-O 3.51Å; T85-V89 VanDerWaalsContact CA-O 3.3Å; T85-V89 WeakPolarHBondContact CA-O 3.45Å; C86-V89 PolarHBondContact N-O 3.25Å; C86-V89 PolarHBondContact O-N 2.86Å; C86-V89 VanDerWaalsContact O-N 3.13Å; V89-F110 HydrophobicContact CG1-CD2 4.05Å; V89-F110 HydrophobicContact CG1-CE2 3.3Å; V89-F110 HydrophobicContact CG1-CZ 3.63Å; V89-F120 HydrophobicContact CB-CE2 4.29Å; V89-F120 HydrophobicContact CG1-CE2 3.79Å; V89-A124 HydrophobicContact CB-CB 4.22Å; V89-A124 HydrophobicContact CG2-CB 3.96Å |
| 90 | K | 95.4 | Very high | 94.3 | Very high | 164 Ų | 164 | 50.5 Ų | 50.5 | 71% | 0.713 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113 | 142.8 | -179.6 | -54.1 | -177.7 | -178.9 | 175.2 | 0 | 110.5 | V84 T85 F110 | V84-K90 WeakPolarHBondContact O-CA 3.27Å; T85-K90 HydrophobicContact CG2-CG 4.18Å; K90-F110 VanDerWaalsContact O-CD2 3.24Å; K90-F110 WeakPolarHBondContact O-CD2 3.4Å; K90-F110 WeakPolarHBondContact O-CE2 3.5Å |
| 91 | A | 96.1 | Very high | 94.3 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | -179.5 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | V84 V108 Q109 F110 F120 | V84-A91 VanDerWaalsContact CG2-C 3.5Å; V84-A91 HydrophobicContact CG2-CB 3.96Å; V84-A91 VanDerWaalsContact CG2-O 3.27Å; V84-A91 WeakPolarHBondContact CG2-O 3.33Å; V84-A91 PolarHBondContact N-O 2.99Å; V84-A91 PolarHBondContact O-N 2.82Å; A91-V108 HydrophobicContact CB-CG1 3.5Å; A91-Q109 WeakPolarHBondContact CB-O 3.22Å; A91-F110 HydrophobicContact CB-CB 3.99Å; A91-F110 HydrophobicContact CB-CD2 4Å; A91-F110 HydrophobicContact CB-CG 4.44Å; A91-F120 HydrophobicContact CB-CD2 4.01Å; A91-F120 HydrophobicContact CB-CE1 4.34Å; A91-F120 HydrophobicContact CB-CE2 3.38Å; A91-F120 HydrophobicContact CB-CZ 3.58Å |
| 92 | T | 96.2 | Very high | 94.2 | Very high | 50 Ų | 50 | 45.5 Ų | 45.5 | 31% | 0.307 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 122.1 | -178.7 | -58.3 | 0 | 0 | 0 | 0 | 110.6 | V81 V108 Q109 | V81-T92 HydrophobicContact CB-CG2 3.56Å; V81-T92 HydrophobicContact CG1-CG2 3.67Å; V81-T92 HydrophobicContact CG2-CG2 4.41Å; T92-V108 CarbonylContact O-C 3.58Å; T92-V108 WeakPolarHBondContact O-CA 3.19Å; T92-Q109 PolarHBondContact N-O 2.88Å; T92-Q109 PolarHBondContact O-N 2.9Å |
| 93 | L | 95.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 117.1 | 176.1 | 178.5 | 72.9 | 0 | 0 | 0 | 109.8 | V81 Y82 V84 W95 F98 C107 V108 I143 L152 | V81-L93 WeakPolarHBondContact CA-O 3.16Å; Y82-L93 PolarHBondContact N-O 3.34Å; Y82-L93 PolarHBondContact O-N 2.87Å; V84-L93 HydrophobicContact CG1-CB 3.73Å; V84-L93 HydrophobicContact CG1-CD2 4.44Å; V84-L93 HydrophobicContact CG2-CB 4.15Å; L93-W95 PolarHBondContact O-N 3.5Å; L93-F98 HydrophobicContact CD1-CB 4.28Å; L93-F98 HydrophobicContact CD1-CD2 3.81Å; L93-F98 HydrophobicContact CD1-CE2 4.41Å; L93-F98 HydrophobicContact CD1-CG 4.17Å; L93-F98 HydrophobicContact CD2-CD1 4.41Å; L93-F98 HydrophobicContact CD2-CD2 4.35Å; L93-F98 HydrophobicContact CD2-CG 4.26Å; L93-C107 HydrophobicContact CD1-CB 4.23Å; L93-V108 HydrophobicContact CD1-CG2 3.82Å; L93-I143 HydrophobicContact CD2-CD1 4.35Å; L93-L152 HydrophobicContact CD2-CD2 4.22Å |
| 94 | V | 95.6 | Very high | 94.1 | Very high | 12 Ų | 12 | 47 Ų | 47 | 7% | 0.073 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 108.3 | 176.3 | -174.1 | 0 | 0 | 0 | 0 | 109.1 | D79 V81 K96 K97 F98 C107 L114 | D79-V94 HydrophobicContact CB-CG1 4.38Å; D79-V94 WeakPolarHBondContact OD2-CG1 3.26Å; V81-V94 HydrophobicContact CG1-CG2 4.2Å; V94-K96 PolarHBondContact O-N 3.44Å; V94-K97 HydrophobicContact CB-CB 4.35Å; V94-K97 HydrophobicContact CB-CG 4.14Å; V94-K97 HydrophobicContact CG1-CB 4.4Å; V94-K97 HydrophobicContact CG1-CG 3.79Å; V94-K97 PolarHBondContact O-N 3.19Å; V94-K97 VanDerWaalsContact O-N 3.11Å; V94-F98 PolarHBondContact O-N 3.31Å; V94-C107 PolarHBondContact N-O 3.24Å; V94-L114 HydrophobicContact CG2-CD1 4.25Å |
| 95 | W | 94 | Very high | 94 | Very high | 77 Ų | 77 | 49.5 Ų | 49.5 | 29% | 0.292 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -65 | -43.2 | -169.2 | -175.5 | 55.5 | 0 | 0 | 0 | 113 | V80 Y82 L93 K97 F98 D153 Y155 | V80-W95 HydrophobicContact CB-CB 4.17Å; V80-W95 HydrophobicContact CB-CE3 4.04Å; V80-W95 HydrophobicContact CG1-CB 4.25Å; V80-W95 HydrophobicContact CG1-CE3 4.25Å; V80-W95 HydrophobicContact CG2-CE3 4.33Å; V80-W95 WeakPolarHBondContact O-CB 3.4Å; V80-W95 PolarHBondContact O-N 2.91Å; Y82-W95 HydrophobicContact CD2-CB 4.09Å; Y82-W95 HydrophobicContact CE2-CB 3.81Å; Y82-W95 AromaticContact CE2-CG 3.92Å; Y82-W95 HydrophobicContact CE2-CG 3.92Å; L93-W95 PolarHBondContact O-N 3.5Å; W95-K97 PolarHBondContact O-N 3.33Å; W95-F98 WeakPolarHBondContact O-CB 3.24Å; W95-F98 PolarHBondContact O-N 3.4Å; W95-D153 PolarHBondContact NE1-O 2.93Å; W95-Y155 HydrophobicContact CD2-CD2 4.48Å; W95-Y155 HydrophobicContact CE3-CD2 4.35Å; W95-Y155 HydrophobicContact CH2-CD2 4.48Å; W95-Y155 HydrophobicContact CZ3-CD2 4.36Å; W95-Y155 WeakPolarHBondContact O-CB 3.41Å |
| 96 | K | 93.6 | Very high | 94 | Very high | 38 Ų | 38 | 53.3 Ų | 53.3 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -59.8 | -17.4 | 176.9 | -57.8 | -167.9 | -156.1 | 150.8 | 0 | 113.5 | E77 D79 V94 Y155 | E77-K96 VanDerWaalsContact CD-NZ 3.29Å; E77-K96 PolarHBondContact O-NZ 2.81Å; E77-K96 WeakPolarHBondContact OE2-CE 3.27Å; E77-K96 IonicContact OE2-NZ 2.71Å; E77-K96 PolarHBondContact OE2-NZ 3.39Å; D79-K96 WeakPolarHBondContact OD1-CD 3.49Å; D79-K96 WeakPolarHBondContact OD1-CE 3.28Å; D79-K96 IonicContact OD1-NZ 3.59Å; D79-K96 PolarHBondContact OD1-NZ 3Å; V94-K96 PolarHBondContact O-N 3.44Å; K96-Y155 HydrophobicContact CG-CE2 4.33Å |
| 97 | K | 93.6 | Very high | 94 | Very high | 110 Ų | 110 | 53.3 Ų | 53.3 | 48% | 0.478 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -97.4 | -11.7 | 173.7 | -52.9 | -59.2 | -179.2 | -174.2 | 0 | 113.4 | V94 W95 V99 I105 C107 | V94-K97 HydrophobicContact CB-CB 4.35Å; V94-K97 HydrophobicContact CB-CG 4.14Å; V94-K97 HydrophobicContact CG1-CB 4.4Å; V94-K97 HydrophobicContact CG1-CG 3.79Å; V94-K97 PolarHBondContact O-N 3.19Å; V94-K97 VanDerWaalsContact O-N 3.11Å; W95-K97 PolarHBondContact O-N 3.33Å; K97-V99 PolarHBondContact O-N 2.85Å; K97-I105 WeakPolarHBondContact O-CG2 3.39Å; K97-C107 HydrophobicContact CB-CB 3.8Å; K97-C107 WeakPolarHBondContact O-CB 3.34Å |
| 98 | F | 94.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | trans | -79.7 | 63.3 | -177.3 | -174.9 | -121.9 | 0 | 0 | 0 | 112 | L93 V94 W95 C107 W132 M147 F154 Y155 | L93-F98 HydrophobicContact CD1-CB 4.28Å; L93-F98 HydrophobicContact CD1-CD2 3.81Å; L93-F98 HydrophobicContact CD1-CE2 4.41Å; L93-F98 HydrophobicContact CD1-CG 4.17Å; L93-F98 HydrophobicContact CD2-CD1 4.41Å; L93-F98 HydrophobicContact CD2-CD2 4.35Å; L93-F98 HydrophobicContact CD2-CG 4.26Å; V94-F98 PolarHBondContact O-N 3.31Å; W95-F98 WeakPolarHBondContact O-CB 3.24Å; W95-F98 PolarHBondContact O-N 3.4Å; F98-C107 HydrophobicContact CB-CB 4.43Å; F98-W132 AromaticContact CE2-CH2 3.78Å; F98-W132 HydrophobicContact CE2-CH2 3.78Å; F98-W132 HydrophobicContact CE2-CZ3 4.01Å; F98-W132 HydrophobicContact CZ-CH2 4.05Å; F98-W132 HydrophobicContact CZ-CZ3 4.35Å; F98-M147 HydrophobicContact CE1-CE 4.03Å; F98-M147 HydrophobicContact CZ-CE 4.16Å; F98-M147 HydrophobicContact CZ-SD 4.34Å; F98-F154 AromaticContact CD1-CD1 3.88Å; F98-F154 HydrophobicContact CD1-CD1 3.88Å; F98-F154 HydrophobicContact CD2-CD1 4.22Å; F98-F154 HydrophobicContact CD2-CE1 4.46Å; F98-F154 AromaticContact CE1-CD1 3.59Å; F98-F154 HydrophobicContact CE1-CD1 3.59Å; F98-F154 HydrophobicContact CE1-CE1 4.02Å; F98-F154 HydrophobicContact CE1-CG 4.29Å; F98-F154 AromaticContact CE2-CD1 3.96Å; F98-F154 HydrophobicContact CE2-CD1 3.96Å; F98-F154 AromaticContact CE2-CE1 3.84Å; F98-F154 HydrophobicContact CE2-CE1 3.84Å; F98-F154 HydrophobicContact CG-CD1 4.19Å; F98-F154 AromaticContact CZ-CD1 3.64Å; F98-F154 HydrophobicContact CZ-CD1 3.64Å; F98-F154 AromaticContact CZ-CE1 3.59Å; F98-F154 HydrophobicContact CZ-CE1 3.59Å; F98-F154 CarbonylContact O-C 3.54Å; F98-F154 WeakPolarHBondContact O-CA 3.42Å; F98-F154 WeakPolarHBondContact O-CB 3.47Å; F98-Y155 PolarHBondContact O-N 2.64Å | ||
| 99 | V | 94.3 | Very high | 94.6 | Very high | 41 Ų | 41 | 48.3 Ų | 48.3 | 25% | 0.248 | 24% | 0.237 | C | C | . | . | trans | -83 | 151.3 | 179.9 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | K97 G102 I105 Y155 V160 | K97-V99 PolarHBondContact O-N 2.85Å; V99-G102 VanDerWaalsContact O-CA 3.24Å; V99-G102 WeakPolarHBondContact O-CA 3.23Å; V99-G102 PolarHBondContact O-N 2.96Å; V99-I105 HydrophobicContact CB-CD1 4.29Å; V99-I105 VanDerWaalsContact O-CD1 3.25Å; V99-I105 WeakPolarHBondContact O-CD1 3.42Å; V99-Y155 HydrophobicContact CG2-CD1 4.34Å; V99-V160 HydrophobicContact CG1-CB 4.41Å; V99-V160 HydrophobicContact CG1-CG1 3.74Å | ||
| 100 | C | 93.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 48 Ų | 48 | 5% | 0.054 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 135.3 | 178.2 | -173.6 | 0 | 0 | 0 | 0 | 111.6 | F154 H157 V160 S162 C165 | C100-F154 HydrophobicContact CB-CB 4.01Å; C100-F154 HydrophobicContact CB-CD1 4.36Å; C100-F154 HydrophobicContact CB-CD2 3.68Å; C100-F154 HydrophobicContact CB-CE2 4.12Å; C100-F154 HydrophobicContact CB-CG 3.79Å; C100-H157 PolarHBondContact SG-NE2 3.48Å; C100-H157 VanDerWaalsContact SG-NE2 3.42Å; C100-V160 VanDerWaalsContact CB-O 3.25Å; C100-V160 WeakPolarHBondContact CB-O 3.42Å; C100-S162 PolarHBondContact SG-N 3.49Å; C100-C165 WeakPolarHBondContact SG-CB 3.24Å |
| 101 | P | 90.8 | Very high | 94.2 | Very high | 35 Ų | 35 | 45.7 Ų | 45.7 | 23% | 0.227 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -89.6 | 7.5 | 5 | 34.1 | -34 | 0 | 0 | 0 | 115.4 | I103 W132 F154 S162 C165 | P101-I103 HydrophobicContact CG-CG2 4.32Å; P101-I103 PolarHBondContact O-N 3.17Å; P101-W132 WeakPolarHBondContact O-CZ2 3.16Å; P101-F154 VanDerWaalsContact C-CE1 3.42Å; P101-F154 VanDerWaalsContact C-CZ 3.49Å; P101-F154 WeakPolarHBondContact O-CE1 3.45Å; P101-F154 WeakPolarHBondContact O-CZ 3.44Å; P101-S162 WeakPolarHBondContact CB-OG 3.43Å; P101-C165 HydrophobicContact CB-CB 4.03Å |
| 102 | G | 92.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | 75.1 | -41.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | V99 N104 I105 P117 | V99-G102 VanDerWaalsContact O-CA 3.24Å; V99-G102 WeakPolarHBondContact O-CA 3.23Å; V99-G102 PolarHBondContact O-N 2.96Å; G102-N104 VanDerWaalsContact C-N 3.34Å; G102-N104 PolarHBondContact O-N 2.67Å; G102-I105 PolarHBondContact O-N 3.42Å; G102-P117 VanDerWaalsContact O-CD 3.25Å; G102-P117 WeakPolarHBondContact O-CD 3.27Å; G102-P117 WeakPolarHBondContact O-CG 3.45Å | ||
| 103 | I | 93.1 | Very high | 93.7 | Very high | 62 Ų | 62 | 57.6 Ų | 57.6 | 32% | 0.318 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.3 | -45.9 | -164.6 | -172.1 | 170 | 0 | 0 | 0 | 115.8 | P101 K118 W132 | P101-I103 HydrophobicContact CG-CG2 4.32Å; P101-I103 PolarHBondContact O-N 3.17Å; I103-K118 HydrophobicContact CG1-CB 4.15Å; I103-K118 VanDerWaalsContact O-CB 3.23Å; I103-K118 WeakPolarHBondContact O-CB 3.39Å; I103-K118 PolarHBondContact O-N 2.88Å; I103-K118 VanDerWaalsContact O-N 3.12Å; I103-W132 HydrophobicContact CB-CZ2 4.36Å; I103-W132 HydrophobicContact CG1-CG 4.37Å |
| 104 | N | 94 | Very high | 93.6 | Very high | 106 Ų | 106 | 60.9 Ų | 60.9 | 57% | 0.567 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 3.2 | -179.1 | -59.2 | -26.9 | 0 | 0 | 0 | 112.6 | G102 K118 | G102-N104 VanDerWaalsContact C-N 3.34Å; G102-N104 PolarHBondContact O-N 2.67Å; N104-K118 WeakPolarHBondContact OD1-CD 3.4Å |
| 105 | I | 94.6 | Very high | 93.7 | Very high | 55 Ų | 55 | 61.2 Ų | 61.2 | 28% | 0.282 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -87.9 | 127.4 | -174.8 | -68.8 | 166.4 | 0 | 0 | 0 | 108.5 | K97 V99 G102 C107 S116 P117 | K97-I105 WeakPolarHBondContact O-CG2 3.39Å; V99-I105 HydrophobicContact CB-CD1 4.29Å; V99-I105 VanDerWaalsContact O-CD1 3.25Å; V99-I105 WeakPolarHBondContact O-CD1 3.42Å; G102-I105 PolarHBondContact O-N 3.42Å; I105-C107 PolarHBondContact O-N 2.94Å; I105-C107 VanDerWaalsContact O-N 3.09Å; I105-C107 PolarHBondContact O-SG 3.05Å; I105-S116 WeakPolarHBondContact O-CA 3.34Å; I105-P117 VanDerWaalsContact O-CD 3.24Å; I105-P117 WeakPolarHBondContact O-CD 3.19Å |
| 106 | K | 96.1 | Very high | 93.8 | Very high | 121 Ų | 121 | 57.7 Ų | 57.7 | 53% | 0.526 | 28% | 0.284 | S | S | . | . | trans | -70.4 | 105.2 | -179.9 | -70.5 | -176.6 | 168 | -165 | 0 | 109.8 | L114 I115 | K106-L114 HydrophobicContact CB-CD2 4.16Å; K106-L114 HydrophobicContact CB-CG 4.08Å; K106-L114 WeakPolarHBondContact CD-O 3.37Å; K106-L114 WeakPolarHBondContact O-CD2 3.46Å; K106-I115 WeakPolarHBondContact CA-O 3.44Å | ||
| 107 | C | 95.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.276 | C | S | . | . | trans | -148.1 | -7.6 | -174.2 | 59.4 | 0 | 0 | 0 | 0 | 113.8 | L93 V94 K97 F98 I105 I115 | L93-C107 HydrophobicContact CD1-CB 4.23Å; V94-C107 PolarHBondContact N-O 3.24Å; K97-C107 HydrophobicContact CB-CB 3.8Å; K97-C107 WeakPolarHBondContact O-CB 3.34Å; F98-C107 HydrophobicContact CB-CB 4.43Å; I105-C107 PolarHBondContact O-N 2.94Å; I105-C107 VanDerWaalsContact O-N 3.09Å; I105-C107 PolarHBondContact O-SG 3.05Å; C107-I115 PolarHBondContact N-O 2.83Å | ||
| 108 | V | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 115.2 | 175.4 | 178.1 | 0 | 0 | 0 | 0 | 108 | V84 A91 T92 L93 I115 P117 F120 | V84-V108 HydrophobicContact CG2-CG1 4.13Å; A91-V108 HydrophobicContact CB-CG1 3.5Å; T92-V108 CarbonylContact O-C 3.58Å; T92-V108 WeakPolarHBondContact O-CA 3.19Å; L93-V108 HydrophobicContact CD1-CG2 3.82Å; V108-I115 HydrophobicContact CB-CG1 4.29Å; V108-I115 HydrophobicContact CG1-CG1 4.45Å; V108-I115 PolarHBondContact N-O 3.36Å; V108-I115 VanDerWaalsContact O-CG1 3.25Å; V108-I115 WeakPolarHBondContact O-CG1 3.19Å; V108-I115 PolarHBondContact O-N 3.18Å; V108-P117 HydrophobicContact CG2-CG 4.27Å; V108-F120 HydrophobicContact CG1-CB 4.23Å; V108-F120 HydrophobicContact CG1-CD1 4.14Å; V108-F120 HydrophobicContact CG1-CD2 4.18Å; V108-F120 HydrophobicContact CG1-CG 3.93Å |
| 109 | Q | 95.8 | Very high | 93.9 | Very high | 85 Ų | 85 | 60.4 Ų | 60.4 | 40% | 0.397 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 117.3 | 172.8 | -168 | -179.4 | 23.5 | 0 | 0 | 109.4 | A91 T92 H113 L114 | A91-Q109 WeakPolarHBondContact CB-O 3.22Å; T92-Q109 PolarHBondContact N-O 2.88Å; T92-Q109 PolarHBondContact O-N 2.9Å; Q109-H113 CarbonylContact C-O 3.55Å; Q109-H113 WeakPolarHBondContact CA-O 3.18Å; Q109-L114 HydrophobicContact CB-CD1 4.26Å |
| 110 | F | 94.6 | Very high | 94 | Very high | 30 Ų | 30 | 58.5 Ų | 58.5 | 13% | 0.132 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 125.8 | 179.4 | 177 | -111.5 | 0 | 0 | 0 | 109.5 | V89 K90 A91 E112 H113 I115 F120 M123 | V89-F110 HydrophobicContact CG1-CD2 4.05Å; V89-F110 HydrophobicContact CG1-CE2 3.3Å; V89-F110 HydrophobicContact CG1-CZ 3.63Å; K90-F110 VanDerWaalsContact O-CD2 3.24Å; K90-F110 WeakPolarHBondContact O-CD2 3.4Å; K90-F110 WeakPolarHBondContact O-CE2 3.5Å; A91-F110 HydrophobicContact CB-CB 3.99Å; A91-F110 HydrophobicContact CB-CD2 4Å; A91-F110 HydrophobicContact CB-CG 4.44Å; F110-E112 VanDerWaalsContact C-N 3.29Å; F110-E112 PolarHBondContact O-N 3.09Å; F110-H113 PolarHBondContact N-O 3.46Å; F110-H113 PolarHBondContact O-N 2.95Å; F110-I115 HydrophobicContact CB-CD1 3.75Å; F110-I115 HydrophobicContact CB-CG1 4.17Å; F110-I115 HydrophobicContact CD1-CD1 4.27Å; F110-I115 HydrophobicContact CG-CD1 4.33Å; F110-F120 HydrophobicContact CD2-CE2 4.28Å; F110-M123 HydrophobicContact CD1-CE 3.79Å; F110-M123 HydrophobicContact CD1-SD 4.09Å; F110-M123 HydrophobicContact CE1-CE 3.57Å; F110-M123 HydrophobicContact CE1-SD 4.32Å |
| 111 | N | 88.4 | Confident | 94 | Very high | 115 Ų | 115 | 58.4 Ų | 58.4 | 62% | 0.615 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.7 | 55.4 | -174.3 | -63 | -1.4 | 0 | 0 | 0 | 111.7 | H113 | N111-H113 PolarHBondContact O-N 3.19Å; N111-H113 PolarHBondContact O-ND1 3.04Å |
| 112 | E | 88.3 | Confident | 94.2 | Very high | 178 Ų | 178 | 64.8 Ų | 64.8 | 83% | 0.832 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | -18.3 | -176.5 | -53.5 | -176.3 | 147.3 | 0 | 0 | 116.2 | F110 | F110-E112 VanDerWaalsContact C-N 3.29Å; F110-E112 PolarHBondContact O-N 3.09Å |
| 113 | H | 92 | Very high | 94.1 | Very high | 134 Ų | 134 | 69.8 Ų | 69.8 | 62% | 0.62 | 33% | 0.33 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 137.9 | -178.4 | -65.7 | 70.3 | 0 | 0 | 0 | 112.5 | Q109 F110 N111 I115 | Q109-H113 CarbonylContact C-O 3.55Å; Q109-H113 WeakPolarHBondContact CA-O 3.18Å; F110-H113 PolarHBondContact N-O 3.46Å; F110-H113 PolarHBondContact O-N 2.95Å; N111-H113 PolarHBondContact O-N 3.19Å; N111-H113 PolarHBondContact O-ND1 3.04Å; H113-I115 HydrophobicContact CB-CG2 4.49Å |
| 114 | L | 95.2 | Very high | 94.1 | Very high | 69 Ų | 69 | 67.4 Ų | 67.4 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 110.6 | 174.7 | -163.5 | 72.7 | 0 | 0 | 0 | 110.9 | V94 K106 Q109 | V94-L114 HydrophobicContact CG2-CD1 4.25Å; K106-L114 HydrophobicContact CB-CD2 4.16Å; K106-L114 HydrophobicContact CB-CG 4.08Å; K106-L114 WeakPolarHBondContact CD-O 3.37Å; K106-L114 WeakPolarHBondContact O-CD2 3.46Å; Q109-L114 HydrophobicContact CB-CD1 4.26Å |
| 115 | I | 96.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 64.8 Ų | 64.8 | 10% | 0.097 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 166 | -177.4 | 63.1 | 171.1 | 0 | 0 | 0 | 111.8 | K106 C107 V108 F110 H113 E119 F120 M123 | K106-I115 WeakPolarHBondContact CA-O 3.44Å; C107-I115 PolarHBondContact N-O 2.83Å; V108-I115 HydrophobicContact CB-CG1 4.29Å; V108-I115 HydrophobicContact CG1-CG1 4.45Å; V108-I115 PolarHBondContact N-O 3.36Å; V108-I115 VanDerWaalsContact O-CG1 3.25Å; V108-I115 WeakPolarHBondContact O-CG1 3.19Å; V108-I115 PolarHBondContact O-N 3.18Å; F110-I115 HydrophobicContact CB-CD1 3.75Å; F110-I115 HydrophobicContact CB-CG1 4.17Å; F110-I115 HydrophobicContact CD1-CD1 4.27Å; F110-I115 HydrophobicContact CG-CD1 4.33Å; H113-I115 HydrophobicContact CB-CG2 4.49Å; I115-E119 HydrophobicContact CB-CB 4.23Å; I115-F120 HydrophobicContact CD1-CB 3.8Å; I115-F120 HydrophobicContact CD1-CD2 4.23Å; I115-F120 HydrophobicContact CD1-CG 4.49Å; I115-F120 HydrophobicContact CG1-CB 4.42Å; I115-M123 HydrophobicContact CD1-SD 3.75Å |
| 116 | S | 96.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 65.6 Ų | 65.6 | 3% | 0.028 | 32% | 0.319 | C | S | . | . | trans | -82.7 | 156.7 | 175 | 67.7 | 0 | 0 | 0 | 0 | 112.6 | I105 K118 E119 F120 | I105-S116 WeakPolarHBondContact O-CA 3.34Å; S116-K118 PolarHBondContact O-N 3.32Å; S116-E119 WeakPolarHBondContact CB-OE2 3.29Å; S116-E119 PolarHBondContact N-OE2 3.46Å; S116-E119 PolarHBondContact O-N 3.49Å; S116-E119 VanDerWaalsContact O-N 3.12Å; S116-E119 VanDerWaalsContact OG-CD 3.24Å; S116-E119 WeakPolarHBondContact OG-CG 3.34Å; S116-E119 PolarHBondContact OG-N 2.9Å; S116-E119 PolarHBondContact OG-OE2 3Å; S116-F120 PolarHBondContact O-N 3.18Å | ||
| 117 | P | 95.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -53.7 | -34.3 | 171.4 | -28.8 | 36.3 | 0 | 0 | 0 | 113.8 | G102 I105 V108 V121 W132 I136 | G102-P117 VanDerWaalsContact O-CD 3.25Å; G102-P117 WeakPolarHBondContact O-CD 3.27Å; G102-P117 WeakPolarHBondContact O-CG 3.45Å; I105-P117 VanDerWaalsContact O-CD 3.24Å; I105-P117 WeakPolarHBondContact O-CD 3.19Å; V108-P117 HydrophobicContact CG2-CG 4.27Å; P117-V121 WeakPolarHBondContact O-CB 3.49Å; P117-V121 VanDerWaalsContact O-CG2 3.24Å; P117-V121 WeakPolarHBondContact O-CG2 3.4Å; P117-V121 PolarHBondContact O-N 2.85Å; P117-V121 VanDerWaalsContact O-N 3.08Å; P117-W132 HydrophobicContact CB-CD2 3.98Å; P117-W132 HydrophobicContact CB-CE3 3.47Å; P117-W132 VanDerWaalsContact CB-CE3 3.47Å; P117-W132 HydrophobicContact CB-CZ3 3.8Å; P117-W132 HydrophobicContact CG-CE3 4.21Å; P117-W132 HydrophobicContact CG-CZ3 4.02Å; P117-I136 HydrophobicContact CB-CD1 3.76Å |
| 118 | K | 94.6 | Very high | 92.6 | Very high | 124 Ų | 124 | 68.7 Ų | 68.7 | 54% | 0.539 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.7 | -45 | 175.7 | -178.5 | -175 | 174.7 | -167 | 0 | 112.3 | I103 N104 S116 Y122 | I103-K118 HydrophobicContact CG1-CB 4.15Å; I103-K118 VanDerWaalsContact O-CB 3.23Å; I103-K118 WeakPolarHBondContact O-CB 3.39Å; I103-K118 PolarHBondContact O-N 2.88Å; I103-K118 VanDerWaalsContact O-N 3.12Å; N104-K118 WeakPolarHBondContact OD1-CD 3.4Å; S116-K118 PolarHBondContact O-N 3.32Å; K118-Y122 PolarHBondContact O-N 3.07Å; K118-Y122 VanDerWaalsContact O-N 3.1Å |
| 119 | E | 95 | Very high | 92 | Very high | 81 Ų | 81 | 72.8 Ų | 72.8 | 38% | 0.379 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 176.3 | -71.1 | 157.2 | 140 | 0 | 0 | 110.8 | I115 S116 V121 Y122 M123 | I115-E119 HydrophobicContact CB-CB 4.23Å; S116-E119 WeakPolarHBondContact CB-OE2 3.29Å; S116-E119 PolarHBondContact N-OE2 3.46Å; S116-E119 PolarHBondContact O-N 3.49Å; S116-E119 VanDerWaalsContact O-N 3.12Å; S116-E119 VanDerWaalsContact OG-CD 3.24Å; S116-E119 WeakPolarHBondContact OG-CG 3.34Å; S116-E119 PolarHBondContact OG-N 2.9Å; S116-E119 PolarHBondContact OG-OE2 3Å; E119-V121 PolarHBondContact O-N 3.39Å; E119-Y122 WeakPolarHBondContact O-CA 3.27Å; E119-Y122 WeakPolarHBondContact O-CB 3.5Å; E119-Y122 PolarHBondContact O-N 3.19Å; E119-Y122 VanDerWaalsContact O-N 3.08Å; E119-M123 WeakPolarHBondContact O-CG 3.47Å; E119-M123 PolarHBondContact O-N 3.12Å |
| 120 | F | 95.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 79 Ų | 79 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 177 | -178.3 | -124.3 | 0 | 0 | 0 | 112.7 | V84 C86 V89 A91 V108 F110 I115 S116 Y122 M123 A124 I136 | V84-F120 HydrophobicContact CG2-CE1 4.29Å; C86-F120 HydrophobicContact CB-CD1 3.98Å; C86-F120 HydrophobicContact CB-CE1 3.45Å; C86-F120 VanDerWaalsContact CB-CE1 3.45Å; C86-F120 HydrophobicContact CB-CZ 3.84Å; V89-F120 HydrophobicContact CB-CE2 4.29Å; V89-F120 HydrophobicContact CG1-CE2 3.79Å; A91-F120 HydrophobicContact CB-CD2 4.01Å; A91-F120 HydrophobicContact CB-CE1 4.34Å; A91-F120 HydrophobicContact CB-CE2 3.38Å; A91-F120 HydrophobicContact CB-CZ 3.58Å; V108-F120 HydrophobicContact CG1-CB 4.23Å; V108-F120 HydrophobicContact CG1-CD1 4.14Å; V108-F120 HydrophobicContact CG1-CD2 4.18Å; V108-F120 HydrophobicContact CG1-CG 3.93Å; F110-F120 HydrophobicContact CD2-CE2 4.28Å; I115-F120 HydrophobicContact CD1-CB 3.8Å; I115-F120 HydrophobicContact CD1-CD2 4.23Å; I115-F120 HydrophobicContact CD1-CG 4.49Å; I115-F120 HydrophobicContact CG1-CB 4.42Å; S116-F120 PolarHBondContact O-N 3.18Å; F120-Y122 VanDerWaalsContact C-N 3.29Å; F120-Y122 PolarHBondContact O-N 3.4Å; F120-M123 PolarHBondContact O-N 3.18Å; F120-A124 WeakPolarHBondContact O-CB 3.11Å; F120-A124 PolarHBondContact O-N 2.8Å; F120-I136 HydrophobicContact CD1-CD1 3.84Å; F120-I136 HydrophobicContact CD1-CG1 3.95Å; F120-I136 HydrophobicContact CE1-CG1 4.27Å; F120-I136 HydrophobicContact CE1-CG2 4.2Å |
| 121 | V | 94.7 | Very high | 91.4 | Very high | 6 Ų | 6 | 79.3 Ų | 79.3 | 4% | 0.036 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.5 | -30.7 | 175.7 | 169 | 0 | 0 | 0 | 0 | 112.3 | P117 E119 K126 S127 W132 A135 I136 | P117-V121 WeakPolarHBondContact O-CB 3.49Å; P117-V121 VanDerWaalsContact O-CG2 3.24Å; P117-V121 WeakPolarHBondContact O-CG2 3.4Å; P117-V121 PolarHBondContact O-N 2.85Å; P117-V121 VanDerWaalsContact O-N 3.08Å; E119-V121 PolarHBondContact O-N 3.39Å; V121-K126 HydrophobicContact CG1-CB 4.08Å; V121-K126 CarbonylContact O-C 3.55Å; V121-K126 WeakPolarHBondContact O-CA 3.3Å; V121-K126 PolarHBondContact O-N 3.05Å; V121-S127 PolarHBondContact O-N 2.8Å; V121-W132 HydrophobicContact CG2-CB 4.03Å; V121-A135 HydrophobicContact CG1-CB 3.94Å; V121-A135 HydrophobicContact CG2-CB 3.78Å; V121-I136 HydrophobicContact CG2-CD1 3.96Å; V121-I136 HydrophobicContact CG2-CG1 3.59Å |
| 122 | Y | 94.1 | Very high | 91.6 | Very high | 169 Ų | 169 | 75 Ų | 75 | 66% | 0.663 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -70.7 | -49 | 173.3 | 179.8 | -91 | 0 | 0 | 0 | 111.9 | K118 E119 F120 A124 G125 | K118-Y122 PolarHBondContact O-N 3.07Å; K118-Y122 VanDerWaalsContact O-N 3.1Å; E119-Y122 WeakPolarHBondContact O-CA 3.27Å; E119-Y122 WeakPolarHBondContact O-CB 3.5Å; E119-Y122 PolarHBondContact O-N 3.19Å; E119-Y122 VanDerWaalsContact O-N 3.08Å; F120-Y122 VanDerWaalsContact C-N 3.29Å; F120-Y122 PolarHBondContact O-N 3.4Å; Y122-A124 PolarHBondContact O-N 3.18Å; Y122-G125 PolarHBondContact O-N 3.43Å |
| 123 | M | 91.6 | Very high | 91.9 | Very high | 105 Ų | 105 | 67.2 Ų | 67.2 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.8 | -33.2 | 177.2 | -65.6 | 177.4 | 83.9 | 0 | 0 | 112.4 | F110 I115 E119 F120 G125 | F110-M123 HydrophobicContact CD1-CE 3.79Å; F110-M123 HydrophobicContact CD1-SD 4.09Å; F110-M123 HydrophobicContact CE1-CE 3.57Å; F110-M123 HydrophobicContact CE1-SD 4.32Å; I115-M123 HydrophobicContact CD1-SD 3.75Å; E119-M123 WeakPolarHBondContact O-CG 3.47Å; E119-M123 PolarHBondContact O-N 3.12Å; F120-M123 PolarHBondContact O-N 3.18Å; M123-G125 PolarHBondContact O-N 3.02Å |
| 124 | A | 91.8 | Very high | 91.9 | Very high | 13 Ų | 13 | 67.4 Ų | 67.4 | 11% | 0.107 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 3.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | C86 V89 F120 Y122 K126 | C86-A124 HydrophobicContact CB-CB 3.72Å; C86-A124 VanDerWaalsContact O-CB 3.29Å; C86-A124 WeakPolarHBondContact O-CB 3.31Å; V89-A124 HydrophobicContact CB-CB 4.22Å; V89-A124 HydrophobicContact CG2-CB 3.96Å; F120-A124 WeakPolarHBondContact O-CB 3.11Å; F120-A124 PolarHBondContact O-N 2.8Å; Y122-A124 PolarHBondContact O-N 3.18Å; A124-K126 HydrophobicContact CB-CG 4.23Å; A124-K126 WeakPolarHBondContact O-CG 3.36Å; A124-K126 PolarHBondContact O-N 3.28Å; A124-K126 VanDerWaalsContact O-N 3.16Å |
| 125 | G | 90.6 | Very high | 91.9 | Very high | 51 Ų | 51 | 64.5 Ų | 64.5 | 53% | 0.526 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 18 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y122 M123 | Y122-G125 PolarHBondContact O-N 3.43Å; M123-G125 PolarHBondContact O-N 3.02Å |
| 126 | K | 89.5 | Confident | 91.8 | Very high | 71 Ų | 71 | 63.6 Ų | 63.6 | 31% | 0.309 | 32% | 0.316 | S | S | . | . | trans | -102.4 | 12 | -179.3 | -56.6 | -46.4 | 177.5 | -161.9 | 0 | 112.8 | V121 A124 T128 L129 A135 | V121-K126 HydrophobicContact CG1-CB 4.08Å; V121-K126 CarbonylContact O-C 3.55Å; V121-K126 WeakPolarHBondContact O-CA 3.3Å; V121-K126 PolarHBondContact O-N 3.05Å; A124-K126 HydrophobicContact CB-CG 4.23Å; A124-K126 WeakPolarHBondContact O-CG 3.36Å; A124-K126 PolarHBondContact O-N 3.28Å; A124-K126 VanDerWaalsContact O-N 3.16Å; K126-T128 PolarHBondContact O-N 3.01Å; K126-T128 VanDerWaalsContact O-N 3.08Å; K126-L129 HydrophobicContact CB-CD1 4.16Å; K126-L129 WeakPolarHBondContact O-CB 3.41Å; K126-L129 PolarHBondContact O-N 3.26Å; K126-A135 HydrophobicContact CB-CB 4.41Å | ||
| 127 | S | 85.3 | Confident | 91.8 | Very high | 64 Ų | 64 | 68.3 Ų | 68.3 | 45% | 0.448 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -20.4 | 177.7 | 50.3 | 0 | 0 | 0 | 0 | 115.2 | V121 L129 | V121-S127 PolarHBondContact O-N 2.8Å; S127-L129 PolarHBondContact O-N 3.25Å |
| 128 | T | 84.2 | Confident | 91.8 | Very high | 123 Ų | 123 | 68.7 Ų | 68.7 | 76% | 0.755 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -27.1 | 171.3 | 52.6 | 0 | 0 | 0 | 0 | 112.8 | K126 K130 | K126-T128 PolarHBondContact O-N 3.01Å; K126-T128 VanDerWaalsContact O-N 3.08Å; T128-K130 PolarHBondContact O-N 3.15Å |
| 129 | L | 84.2 | Confident | 91.6 | Very high | 87 Ų | 87 | 69 Ų | 69 | 46% | 0.455 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -78.9 | 103.2 | 169.2 | -71.9 | 144.2 | 0 | 0 | 0 | 109.1 | K126 S127 D131 A135 | K126-L129 HydrophobicContact CB-CD1 4.16Å; K126-L129 WeakPolarHBondContact O-CB 3.41Å; K126-L129 PolarHBondContact O-N 3.26Å; S127-L129 PolarHBondContact O-N 3.25Å; L129-D131 PolarHBondContact O-N 3.02Å; L129-A135 HydrophobicContact CB-CB 4.48Å; L129-A135 HydrophobicContact CD1-CB 4.44Å |
| 130 | K | 86.6 | Confident | 91.4 | Very high | 216 Ų | 216 | 67.1 Ų | 67.1 | 94% | 0.939 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -64 | 14.4 | 173.6 | -59.1 | -175.9 | 179.5 | -178.7 | 0 | 114.6 | T128 | T128-K130 PolarHBondContact O-N 3.15Š|
| 131 | D | 90.3 | Very high | 91.4 | Very high | 36 Ų | 36 | 70 Ų | 70 | 19% | 0.193 | 36% | 0.363 | C | S | . | . | trans | -137.3 | 83.3 | -171.8 | -168.6 | -17.8 | 0 | 0 | 0 | 110.6 | L129 K133 R134 A135 R144 | L129-D131 PolarHBondContact O-N 3.02Å; D131-K133 PolarHBondContact O-N 3.22Å; D131-K133 PolarHBondContact OD1-N 3.44Å; D131-R134 HydrophobicContact CB-CB 4.28Å; D131-R134 HydrophobicContact CB-CG 4.44Å; D131-R134 PolarHBondContact O-N 3.04Å; D131-R134 PolarHBondContact OD1-N 2.84Å; D131-R134 VanDerWaalsContact OD2-CD 3.25Å; D131-R134 WeakPolarHBondContact OD2-CD 3.18Å; D131-R134 WeakPolarHBondContact OD2-CG 3.12Å; D131-R134 IonicContact OD2-NE 2.75Å; D131-A135 PolarHBondContact O-N 3.23Å; D131-A135 VanDerWaalsContact O-N 3.08Å; D131-R144 IonicContact OD1-CZ 3.58Å; D131-R144 IonicContact OD1-NH1 3.8Å; D131-R144 IonicContact OD1-NH2 3.64Å; D131-R144 PolarHBondContact OD1-NH2 2.65Å; D131-R144 IonicContact OD2-CZ 2.75Å; D131-R144 VanDerWaalsContact OD2-CZ 3.26Å; D131-R144 IonicContact OD2-NH1 2.65Å; D131-R144 PolarHBondContact OD2-NH1 2.77Å; D131-R144 IonicContact OD2-NH2 3.92Å; D131-R144 PolarHBondContact OD2-NH2 3.3Å | ||
| 132 | W | 92.8 | Very high | 91.3 | Very high | 23 Ų | 23 | 72.9 Ų | 72.9 | 9% | 0.087 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.8 | -31.6 | -178.3 | 68 | -90.3 | 0 | 0 | 0 | 113 | F98 P101 I103 P117 V121 R134 A135 I136 F154 | F98-W132 AromaticContact CE2-CH2 3.78Å; F98-W132 HydrophobicContact CE2-CH2 3.78Å; F98-W132 HydrophobicContact CE2-CZ3 4.01Å; F98-W132 HydrophobicContact CZ-CH2 4.05Å; F98-W132 HydrophobicContact CZ-CZ3 4.35Å; P101-W132 WeakPolarHBondContact O-CZ2 3.16Å; I103-W132 HydrophobicContact CB-CZ2 4.36Å; I103-W132 HydrophobicContact CG1-CG 4.37Å; P117-W132 HydrophobicContact CB-CD2 3.98Å; P117-W132 HydrophobicContact CB-CE3 3.47Å; P117-W132 VanDerWaalsContact CB-CE3 3.47Å; P117-W132 HydrophobicContact CB-CZ3 3.8Å; P117-W132 HydrophobicContact CG-CE3 4.21Å; P117-W132 HydrophobicContact CG-CZ3 4.02Å; V121-W132 HydrophobicContact CG2-CB 4.03Å; W132-R134 PolarHBondContact O-N 3.48Å; W132-A135 PolarHBondContact O-N 2.93Å; W132-I136 HydrophobicContact CE3-CD1 4.11Å; W132-I136 WeakPolarHBondContact O-CG1 3.22Å; W132-I136 PolarHBondContact O-N 2.83Å; W132-F154 HydrophobicContact CH2-CE1 4.29Å |
| 133 | K | 93.4 | Very high | 91.3 | Very high | 15 Ų | 15 | 65 Ų | 65 | 7% | 0.065 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -69.5 | -17.7 | 177.1 | -64.1 | -170.4 | 168.6 | -170.1 | 0 | 113.3 | D131 I143 R144 M147 C165 | D131-K133 PolarHBondContact O-N 3.22Å; D131-K133 PolarHBondContact OD1-N 3.44Å; K133-I143 PolarHBondContact O-N 3.46Å; K133-R144 HydrophobicContact CB-CB 4.02Å; K133-R144 PolarHBondContact O-N 2.87Å; K133-M147 HydrophobicContact CD-SD 3.86Å; K133-M147 VanDerWaalsContact CE-SD 3.55Å; K133-M147 PolarHBondContact NZ-SD 2.98Å; K133-C165 PolarHBondContact NZ-O 2.69Å |
| 134 | R | 93.1 | Very high | 91.4 | Very high | 138 Ų | 138 | 61.1 Ų | 61.1 | 52% | 0.521 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -94.8 | -30.7 | 170 | -72.2 | -174.9 | 172.8 | -150.5 | -3.7 | 113 | D131 W132 | D131-R134 HydrophobicContact CB-CB 4.28Å; D131-R134 HydrophobicContact CB-CG 4.44Å; D131-R134 PolarHBondContact O-N 3.04Å; D131-R134 PolarHBondContact OD1-N 2.84Å; D131-R134 VanDerWaalsContact OD2-CD 3.25Å; D131-R134 WeakPolarHBondContact OD2-CD 3.18Å; D131-R134 WeakPolarHBondContact OD2-CG 3.12Å; D131-R134 IonicContact OD2-NE 2.75Å; W132-R134 PolarHBondContact O-N 3.48Å |
| 135 | A | 94.3 | Very high | 91.5 | Very high | 8 Ų | 8 | 67 Ų | 67 | 7% | 0.066 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -71.7 | -39 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C86 V121 K126 L129 D131 W132 | C86-A135 PolarHBondContact SG-O 2.9Å; C86-A135 VanDerWaalsContact SG-O 3.33Å; V121-A135 HydrophobicContact CG1-CB 3.94Å; V121-A135 HydrophobicContact CG2-CB 3.78Å; K126-A135 HydrophobicContact CB-CB 4.41Å; L129-A135 HydrophobicContact CB-CB 4.48Å; L129-A135 HydrophobicContact CD1-CB 4.44Å; D131-A135 PolarHBondContact O-N 3.23Å; D131-A135 VanDerWaalsContact O-N 3.08Å; W132-A135 PolarHBondContact O-N 2.93Å |
| 136 | I | 95.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.2 | 178.3 | -52.6 | 175.8 | 0 | 0 | 0 | 111 | V84 T85 C86 P117 F120 V121 W132 I143 | V84-I136 HydrophobicContact CB-CG2 3.78Å; V84-I136 HydrophobicContact CG1-CG2 3.84Å; T85-I136 CarbonylContact O-C 3.59Å; T85-I136 WeakPolarHBondContact O-CA 3.49Å; C86-I136 HydrophobicContact CB-CG1 4.49Å; P117-I136 HydrophobicContact CB-CD1 3.76Å; F120-I136 HydrophobicContact CD1-CD1 3.84Å; F120-I136 HydrophobicContact CD1-CG1 3.95Å; F120-I136 HydrophobicContact CE1-CG1 4.27Å; F120-I136 HydrophobicContact CE1-CG2 4.2Å; V121-I136 HydrophobicContact CG2-CD1 3.96Å; V121-I136 HydrophobicContact CG2-CG1 3.59Å; W132-I136 HydrophobicContact CE3-CD1 4.11Å; W132-I136 WeakPolarHBondContact O-CG1 3.22Å; W132-I136 PolarHBondContact O-N 2.83Å; I136-I143 HydrophobicContact CB-CD1 3.9Å; I136-I143 HydrophobicContact CB-CG1 4.35Å; I136-I143 HydrophobicContact CG2-CD1 3.44Å; I136-I143 VanDerWaalsContact CG2-CD1 3.44Å; I136-I143 HydrophobicContact CG2-CG1 4.1Å; I136-I143 PolarHBondContact O-N 2.85Å |
| 137 | R | 95.4 | Very high | 91.7 | Very high | 103 Ų | 103 | 62.6 Ų | 62.6 | 39% | 0.389 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 129.9 | -179.3 | -66.9 | 165.6 | 179.1 | -90.9 | -1.8 | 111.8 | V84 T85 G140 T141 M142 | V84-R137 CarbonylContact C-O 3.49Å; V84-R137 WeakPolarHBondContact CA-O 3.26Å; T85-R137 PolarHBondContact N-O 3.29Å; T85-R137 PolarHBondContact O-N 2.95Å; T85-R137 PolarHBondContact OG1-O 3.47Å; R137-G140 WeakPolarHBondContact CD-O 3.34Å; R137-G140 PolarHBondContact NH1-O 3.24Å; R137-T141 CarbonylContact C-O 3.58Å; R137-T141 WeakPolarHBondContact CA-O 3.03Å; R137-T141 WeakPolarHBondContact CB-O 3.37Å; R137-M142 HydrophobicContact CG-CG 4.28Å |
| 138 | V | 95.4 | Very high | 92 | Very high | 8 Ų | 8 | 65.1 Ų | 65.1 | 5% | 0.048 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 129.6 | 164.6 | 177.6 | 0 | 0 | 0 | 0 | 107.4 | Y82 P83 V84 G140 T141 I143 I146 L152 | Y82-V138 HydrophobicContact CD1-CG1 4.33Å; P83-V138 WeakPolarHBondContact O-CA 3.38Å; V84-V138 HydrophobicContact CG1-CG2 3.59Å; V138-G140 PolarHBondContact O-N 2.87Å; V138-T141 PolarHBondContact N-O 2.8Å; V138-T141 PolarHBondContact O-N 2.83Å; V138-I143 HydrophobicContact CG2-CD1 4.33Å; V138-I143 HydrophobicContact CG2-CG1 4.02Å; V138-I146 HydrophobicContact CB-CD1 3.69Å; V138-I146 HydrophobicContact CG1-CD1 4.47Å; V138-I146 HydrophobicContact CG2-CD1 4.27Å; V138-L152 HydrophobicContact CG2-CD2 4.43Å |
| 139 | N | 91.1 | Very high | 92.3 | Very high | 131 Ų | 131 | 62.9 Ų | 62.9 | 70% | 0.701 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 41 | 179.9 | -60.6 | -23.2 | 0 | 0 | 0 | 113.4 | T141 | N139-T141 PolarHBondContact O-N 2.82Š|
| 140 | G | 91 | Very high | 92.3 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 43% | 0.433 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | -17.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | R137 V138 | R137-G140 WeakPolarHBondContact CD-O 3.34Å; R137-G140 PolarHBondContact NH1-O 3.24Å; V138-G140 PolarHBondContact O-N 2.87Å |
| 141 | T | 94.2 | Very high | 92.4 | Very high | 59 Ų | 59 | 58.4 Ų | 58.4 | 36% | 0.362 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 131.6 | 179.2 | -64.2 | 0 | 0 | 0 | 0 | 111.5 | R137 V138 N139 I143 K145 I146 | R137-T141 CarbonylContact C-O 3.58Å; R137-T141 WeakPolarHBondContact CA-O 3.03Å; R137-T141 WeakPolarHBondContact CB-O 3.37Å; V138-T141 PolarHBondContact N-O 2.8Å; V138-T141 PolarHBondContact O-N 2.83Å; N139-T141 PolarHBondContact O-N 2.82Å; T141-I143 PolarHBondContact O-N 2.92Å; T141-K145 HydrophobicContact CG2-CB 4.08Å; T141-K145 HydrophobicContact CG2-CD 4.04Å; T141-K145 HydrophobicContact CG2-CG 4.41Å; T141-I146 HydrophobicContact CG2-CD1 4.05Å; T141-I146 HydrophobicContact CG2-CG1 3.67Å |
| 142 | M | 94.2 | Very high | 92.4 | Very high | 68 Ų | 68 | 56.9 Ų | 56.9 | 34% | 0.335 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 131.7 | 179.5 | -63.1 | 173.7 | -66.6 | 0 | 0 | 111 | R137 R144 K145 | R137-M142 HydrophobicContact CG-CG 4.28Å; M142-R144 PolarHBondContact O-N 2.82Å; M142-R144 VanDerWaalsContact O-N 3.12Å; M142-K145 PolarHBondContact O-N 2.9Å |
| 143 | I | 94 | Very high | 92.4 | Very high | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -50.6 | -43.2 | -178.1 | -80.1 | -173.8 | 0 | 0 | 0 | 111.7 | V84 L93 K133 I136 V138 T141 K145 I146 M147 | V84-I143 HydrophobicContact CG1-CD1 4.11Å; L93-I143 HydrophobicContact CD2-CD1 4.35Å; K133-I143 PolarHBondContact O-N 3.46Å; I136-I143 HydrophobicContact CB-CD1 3.9Å; I136-I143 HydrophobicContact CB-CG1 4.35Å; I136-I143 HydrophobicContact CG2-CD1 3.44Å; I136-I143 VanDerWaalsContact CG2-CD1 3.44Å; I136-I143 HydrophobicContact CG2-CG1 4.1Å; I136-I143 PolarHBondContact O-N 2.85Å; V138-I143 HydrophobicContact CG2-CD1 4.33Å; V138-I143 HydrophobicContact CG2-CG1 4.02Å; T141-I143 PolarHBondContact O-N 2.92Å; I143-K145 VanDerWaalsContact C-N 3.27Å; I143-K145 PolarHBondContact O-N 2.96Å; I143-I146 PolarHBondContact O-N 3.12Å; I143-M147 HydrophobicContact CG2-CG 3.95Å; I143-M147 HydrophobicContact CG2-SD 3.91Å; I143-M147 WeakPolarHBondContact O-CG 2.85Å; I143-M147 PolarHBondContact O-N 3.31Å |
| 144 | R | 92.9 | Very high | 92.5 | Very high | 24 Ų | 24 | 58 Ų | 58 | 9% | 0.091 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -49.6 | -46 | 176.1 | 173.7 | 165.6 | -62 | 130.4 | 24.8 | 112.5 | D131 K133 M142 I146 M147 D148 | D131-R144 IonicContact OD1-CZ 3.58Å; D131-R144 IonicContact OD1-NH1 3.8Å; D131-R144 IonicContact OD1-NH2 3.64Å; D131-R144 PolarHBondContact OD1-NH2 2.65Å; D131-R144 IonicContact OD2-CZ 2.75Å; D131-R144 VanDerWaalsContact OD2-CZ 3.26Å; D131-R144 IonicContact OD2-NH1 2.65Å; D131-R144 PolarHBondContact OD2-NH1 2.77Å; D131-R144 IonicContact OD2-NH2 3.92Å; D131-R144 PolarHBondContact OD2-NH2 3.3Å; K133-R144 HydrophobicContact CB-CB 4.02Å; K133-R144 PolarHBondContact O-N 2.87Å; M142-R144 PolarHBondContact O-N 2.82Å; M142-R144 VanDerWaalsContact O-N 3.12Å; R144-I146 VanDerWaalsContact C-N 3.25Å; R144-I146 PolarHBondContact O-N 2.89Å; R144-M147 PolarHBondContact O-N 2.71Å; R144-D148 WeakPolarHBondContact CG-OD2 3.44Å; R144-D148 WeakPolarHBondContact O-CB 3.2Å; R144-D148 PolarHBondContact O-N 3.12Å |
| 145 | K | 93.1 | Very high | 92.5 | Very high | 137 Ų | 137 | 54.9 Ų | 54.9 | 60% | 0.596 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -64.3 | -32.3 | -177 | -171.9 | -176.3 | 173.9 | -165.9 | 0 | 112.3 | T141 M142 I143 S149 | T141-K145 HydrophobicContact CG2-CB 4.08Å; T141-K145 HydrophobicContact CG2-CD 4.04Å; T141-K145 HydrophobicContact CG2-CG 4.41Å; M142-K145 PolarHBondContact O-N 2.9Å; I143-K145 VanDerWaalsContact C-N 3.27Å; I143-K145 PolarHBondContact O-N 2.96Å; K145-S149 PolarHBondContact O-N 3.39Å; K145-S149 PolarHBondContact O-OG 2.9Å |
| 146 | I | 93.3 | Very high | 92.4 | Very high | 11 Ų | 11 | 58.2 Ų | 58.2 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -78.9 | -32.5 | -179.8 | -43.1 | 177.8 | 0 | 0 | 0 | 110.8 | V138 T141 I143 R144 S149 G150 E151 L152 | V138-I146 HydrophobicContact CB-CD1 3.69Å; V138-I146 HydrophobicContact CG1-CD1 4.47Å; V138-I146 HydrophobicContact CG2-CD1 4.27Å; T141-I146 HydrophobicContact CG2-CD1 4.05Å; T141-I146 HydrophobicContact CG2-CG1 3.67Å; I143-I146 PolarHBondContact O-N 3.12Å; R144-I146 VanDerWaalsContact C-N 3.25Å; R144-I146 PolarHBondContact O-N 2.89Å; I146-S149 WeakPolarHBondContact CA-OG 3.48Å; I146-S149 PolarHBondContact O-OG 3.11Å; I146-G150 PolarHBondContact O-N 3.19Å; I146-E151 HydrophobicContact CG2-CB 3.71Å; I146-E151 HydrophobicContact CG2-CG 3.87Å; I146-E151 PolarHBondContact O-N 2.82Å; I146-E151 VanDerWaalsContact O-N 3.15Å; I146-L152 HydrophobicContact CB-CB 4.29Å; I146-L152 HydrophobicContact CG2-CB 3.54Å; I146-L152 PolarHBondContact O-N 3.23Å |
| 147 | M | 92.5 | Very high | 92.2 | Very high | 19 Ų | 19 | 59.5 Ų | 59.5 | 9% | 0.094 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.2 | -41.6 | 168.6 | -56.7 | -168.6 | 84.2 | 0 | 0 | 112 | F98 K133 I143 R144 S149 G150 L152 D153 F154 | F98-M147 HydrophobicContact CE1-CE 4.03Å; F98-M147 HydrophobicContact CZ-CE 4.16Å; F98-M147 HydrophobicContact CZ-SD 4.34Å; K133-M147 HydrophobicContact CD-SD 3.86Å; K133-M147 VanDerWaalsContact CE-SD 3.55Å; K133-M147 PolarHBondContact NZ-SD 2.98Å; I143-M147 HydrophobicContact CG2-CG 3.95Å; I143-M147 HydrophobicContact CG2-SD 3.91Å; I143-M147 WeakPolarHBondContact O-CG 2.85Å; I143-M147 PolarHBondContact O-N 3.31Å; R144-M147 PolarHBondContact O-N 2.71Å; M147-S149 VanDerWaalsContact C-N 3.28Å; M147-S149 PolarHBondContact O-N 3.21Å; M147-G150 PolarHBondContact O-N 2.75Å; M147-L152 WeakPolarHBondContact CA-O 3.38Å; M147-L152 WeakPolarHBondContact CG-O 3.4Å; M147-D153 WeakPolarHBondContact CE-OD1 3.22Å; M147-F154 HydrophobicContact CE-CD1 4.14Å; M147-F154 HydrophobicContact CE-CD2 3.62Å; M147-F154 HydrophobicContact CE-CE1 4.02Å; M147-F154 HydrophobicContact CE-CE2 3.5Å; M147-F154 VanDerWaalsContact CE-CE2 3.5Å; M147-F154 HydrophobicContact CE-CG 3.98Å; M147-F154 HydrophobicContact CE-CZ 3.74Å |
| 148 | D | 90.2 | Very high | 91.8 | Very high | 117 Ų | 117 | 60.4 Ų | 60.4 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -70.8 | -23.8 | 179.8 | -63.1 | -18.4 | 0 | 0 | 0 | 112 | R144 | R144-D148 WeakPolarHBondContact CG-OD2 3.44Å; R144-D148 WeakPolarHBondContact O-CB 3.2Å; R144-D148 PolarHBondContact O-N 3.12Å |
| 149 | S | 90.3 | Very high | 91.6 | Very high | 76 Ų | 76 | 68 Ų | 68 | 53% | 0.531 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -85.6 | -14.3 | 171.4 | 64.5 | 0 | 0 | 0 | 0 | 114.4 | K145 I146 M147 E151 | K145-S149 PolarHBondContact O-N 3.39Å; K145-S149 PolarHBondContact O-OG 2.9Å; I146-S149 WeakPolarHBondContact CA-OG 3.48Å; I146-S149 PolarHBondContact O-OG 3.11Å; M147-S149 VanDerWaalsContact C-N 3.28Å; M147-S149 PolarHBondContact O-N 3.21Å; S149-E151 VanDerWaalsContact C-N 3.32Å |
| 150 | G | 85.9 | Confident | 91.4 | Very high | 59 Ų | 59 | 65 Ų | 65 | 61% | 0.608 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.5 | 8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | I146 M147 | I146-G150 PolarHBondContact O-N 3.19Å; M147-G150 PolarHBondContact O-N 2.75Å |
| 151 | E | 88.3 | Confident | 91.4 | Very high | 149 Ų | 149 | 65.5 Ų | 65.5 | 70% | 0.696 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -75 | -29.6 | 177.7 | 177 | -174.2 | 174.5 | 0 | 0 | 112.1 | I146 S149 | I146-E151 HydrophobicContact CG2-CB 3.71Å; I146-E151 HydrophobicContact CG2-CG 3.87Å; I146-E151 PolarHBondContact O-N 2.82Å; I146-E151 VanDerWaalsContact O-N 3.15Å; S149-E151 VanDerWaalsContact C-N 3.32Å |
| 152 | L | 90.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -142 | 108.3 | 174 | 177.2 | 80.5 | 0 | 0 | 0 | 109.1 | Y82 L93 V138 I146 M147 | Y82-L152 HydrophobicContact CD1-CD1 4.34Å; Y82-L152 HydrophobicContact CD2-CD1 3.69Å; Y82-L152 HydrophobicContact CE1-CD1 4.06Å; Y82-L152 HydrophobicContact CE2-CD1 3.35Å; Y82-L152 HydrophobicContact CG-CD1 4.17Å; L93-L152 HydrophobicContact CD2-CD2 4.22Å; V138-L152 HydrophobicContact CG2-CD2 4.43Å; I146-L152 HydrophobicContact CB-CB 4.29Å; I146-L152 HydrophobicContact CG2-CB 3.54Å; I146-L152 PolarHBondContact O-N 3.23Å; M147-L152 WeakPolarHBondContact CA-O 3.38Å; M147-L152 WeakPolarHBondContact CG-O 3.4Å |
| 153 | D | 92.9 | Very high | 90.7 | Very high | 56 Ų | 56 | 68.5 Ų | 68.5 | 30% | 0.299 | 38% | 0.375 | S | S | . | . | trans | -114.5 | 173.9 | 169.7 | -158 | 1.9 | 0 | 0 | 0 | 111.1 | W95 M147 H157 | W95-D153 PolarHBondContact NE1-O 2.93Å; M147-D153 WeakPolarHBondContact CE-OD1 3.22Å; D153-H157 IonicContact OD1-CE1 3.76Å; D153-H157 IonicContact OD1-CG 3.77Å; D153-H157 IonicContact OD1-ND1 3.91Å; D153-H157 PolarHBondContact OD1-ND1 2.98Å; D153-H157 IonicContact OD2-CE1 2.74Å; D153-H157 IonicContact OD2-CG 2.68Å; D153-H157 IonicContact OD2-ND1 3.62Å; D153-H157 PolarHBondContact OD2-ND1 3.03Å | ||
| 154 | F | 94.4 | Very high | 90.4 | Very high | 6 Ų | 6 | 73.5 Ų | 73.5 | 3% | 0.026 | 41% | 0.406 | C | S | . | . | trans | -59.8 | 145.6 | 174.9 | -58.5 | -73.5 | 0 | 0 | 0 | 111.7 | F98 C100 P101 W132 M147 Q156 H157 C165 | F98-F154 AromaticContact CD1-CD1 3.88Å; F98-F154 HydrophobicContact CD1-CD1 3.88Å; F98-F154 HydrophobicContact CD2-CD1 4.22Å; F98-F154 HydrophobicContact CD2-CE1 4.46Å; F98-F154 AromaticContact CE1-CD1 3.59Å; F98-F154 HydrophobicContact CE1-CD1 3.59Å; F98-F154 HydrophobicContact CE1-CE1 4.02Å; F98-F154 HydrophobicContact CE1-CG 4.29Å; F98-F154 AromaticContact CE2-CD1 3.96Å; F98-F154 HydrophobicContact CE2-CD1 3.96Å; F98-F154 AromaticContact CE2-CE1 3.84Å; F98-F154 HydrophobicContact CE2-CE1 3.84Å; F98-F154 HydrophobicContact CG-CD1 4.19Å; F98-F154 AromaticContact CZ-CD1 3.64Å; F98-F154 HydrophobicContact CZ-CD1 3.64Å; F98-F154 AromaticContact CZ-CE1 3.59Å; F98-F154 HydrophobicContact CZ-CE1 3.59Å; F98-F154 CarbonylContact O-C 3.54Å; F98-F154 WeakPolarHBondContact O-CA 3.42Å; F98-F154 WeakPolarHBondContact O-CB 3.47Å; C100-F154 HydrophobicContact CB-CB 4.01Å; C100-F154 HydrophobicContact CB-CD1 4.36Å; C100-F154 HydrophobicContact CB-CD2 3.68Å; C100-F154 HydrophobicContact CB-CE2 4.12Å; C100-F154 HydrophobicContact CB-CG 3.79Å; P101-F154 VanDerWaalsContact C-CE1 3.42Å; P101-F154 VanDerWaalsContact C-CZ 3.49Å; P101-F154 WeakPolarHBondContact O-CE1 3.45Å; P101-F154 WeakPolarHBondContact O-CZ 3.44Å; W132-F154 HydrophobicContact CH2-CE1 4.29Å; M147-F154 HydrophobicContact CE-CD1 4.14Å; M147-F154 HydrophobicContact CE-CD2 3.62Å; M147-F154 HydrophobicContact CE-CE1 4.02Å; M147-F154 HydrophobicContact CE-CE2 3.5Å; M147-F154 VanDerWaalsContact CE-CE2 3.5Å; M147-F154 HydrophobicContact CE-CG 3.98Å; M147-F154 HydrophobicContact CE-CZ 3.74Å; F154-Q156 PolarHBondContact O-N 2.99Å; F154-H157 HydrophobicContact CB-CB 4Å; F154-H157 AromaticContact CD2-CD2 3.85Å; F154-H157 AromaticContact CD2-CE1 3.69Å; F154-H157 AromaticContact CD2-CG 3.93Å; F154-H157 AromaticContact CD2-ND1 3.84Å; F154-H157 AromaticContact CD2-NE2 3.68Å; F154-H157 WeakPolarHBondContact O-CB 3.49Å; F154-H157 PolarHBondContact O-N 2.92Å; F154-H157 VanDerWaalsContact O-N 3.11Å; F154-C165 HydrophobicContact CE2-CB 3.61Å; F154-C165 HydrophobicContact CZ-CB 4.02Å | ||
| 155 | Y | 93.6 | Very high | 90 | Very high | 72 Ų | 72 | 72.7 Ų | 72.7 | 28% | 0.282 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 124.3 | 174.9 | -175.5 | -107.2 | 0 | 0 | 0 | 110.7 | W95 K96 F98 V99 H157 | W95-Y155 HydrophobicContact CD2-CD2 4.48Å; W95-Y155 HydrophobicContact CE3-CD2 4.35Å; W95-Y155 HydrophobicContact CH2-CD2 4.48Å; W95-Y155 HydrophobicContact CZ3-CD2 4.36Å; W95-Y155 WeakPolarHBondContact O-CB 3.41Å; K96-Y155 HydrophobicContact CG-CE2 4.33Å; F98-Y155 PolarHBondContact O-N 2.64Å; V99-Y155 HydrophobicContact CG2-CD1 4.34Å; Y155-H157 VanDerWaalsContact C-N 3.27Å; Y155-H157 PolarHBondContact O-N 2.82Å |
| 156 | Q | 91.1 | Very high | 89.5 | Confident | 79 Ų | 79 | 74.4 Ų | 74.4 | 37% | 0.369 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 32.7 | -174.7 | -54.3 | -170.4 | 28.6 | 0 | 0 | 115.4 | F154 S158 K159 V160 | F154-Q156 PolarHBondContact O-N 2.99Å; Q156-S158 PolarHBondContact O-N 3.18Å; Q156-K159 HydrophobicContact CB-CB 4.46Å; Q156-K159 WeakPolarHBondContact O-CA 3.2Å; Q156-K159 PolarHBondContact O-N 3.07Å; Q156-V160 PolarHBondContact O-N 3.36Å |
| 157 | H | 91.8 | Very high | 87.9 | Confident | 28 Ų | 28 | 77.6 Ų | 77.6 | 13% | 0.13 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -33.6 | -175.6 | -164.5 | -167 | 0 | 0 | 0 | 115.2 | C100 D153 F154 Y155 K159 V160 C161 C165 | C100-H157 PolarHBondContact SG-NE2 3.48Å; C100-H157 VanDerWaalsContact SG-NE2 3.42Å; D153-H157 IonicContact OD1-CE1 3.76Å; D153-H157 IonicContact OD1-CG 3.77Å; D153-H157 IonicContact OD1-ND1 3.91Å; D153-H157 PolarHBondContact OD1-ND1 2.98Å; D153-H157 IonicContact OD2-CE1 2.74Å; D153-H157 IonicContact OD2-CG 2.68Å; D153-H157 IonicContact OD2-ND1 3.62Å; D153-H157 PolarHBondContact OD2-ND1 3.03Å; F154-H157 HydrophobicContact CB-CB 4Å; F154-H157 AromaticContact CD2-CD2 3.85Å; F154-H157 AromaticContact CD2-CE1 3.69Å; F154-H157 AromaticContact CD2-CG 3.93Å; F154-H157 AromaticContact CD2-ND1 3.84Å; F154-H157 AromaticContact CD2-NE2 3.68Å; F154-H157 WeakPolarHBondContact O-CB 3.49Å; F154-H157 PolarHBondContact O-N 2.92Å; F154-H157 VanDerWaalsContact O-N 3.11Å; Y155-H157 VanDerWaalsContact C-N 3.27Å; Y155-H157 PolarHBondContact O-N 2.82Å; H157-K159 VanDerWaalsContact C-N 3.25Å; H157-K159 PolarHBondContact O-N 2.81Å; H157-V160 CarbonylContact O-C 3.57Å; H157-C161 PolarHBondContact NE2-SG 3.04Å; H157-C161 VanDerWaalsContact NE2-SG 3.42Å; H157-C165 PolarHBondContact NE2-SG 3.26Å |
| 158 | S | 87.8 | Confident | 85.8 | Confident | 122 Ų | 122 | 81 Ų | 81 | 85% | 0.853 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -18.3 | 177.1 | 54.7 | 0 | 0 | 0 | 0 | 114.5 | Q156 | Q156-S158 PolarHBondContact O-N 3.18Š|
| 159 | K | 89.4 | Confident | 83.6 | Confident | 166 Ų | 166 | 85 Ų | 85 | 72% | 0.722 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | -37.2 | 173.8 | -60.1 | -179.8 | -178.8 | 179.2 | 0 | 111.8 | Q156 H157 | Q156-K159 HydrophobicContact CB-CB 4.46Å; Q156-K159 WeakPolarHBondContact O-CA 3.2Å; Q156-K159 PolarHBondContact O-N 3.07Å; H157-K159 VanDerWaalsContact C-N 3.25Å; H157-K159 PolarHBondContact O-N 2.81Å |
| 160 | V | 87.5 | Confident | 81.6 | Confident | 69 Ų | 69 | 87.3 Ų | 87.3 | 42% | 0.418 | 47% | 0.469 | S | S | . | . | trans | -123.2 | 94.5 | -174.5 | -173.4 | 0 | 0 | 0 | 0 | 109.3 | V99 C100 Q156 H157 | V99-V160 HydrophobicContact CG1-CB 4.41Å; V99-V160 HydrophobicContact CG1-CG1 3.74Å; C100-V160 VanDerWaalsContact CB-O 3.25Å; C100-V160 WeakPolarHBondContact CB-O 3.42Å; Q156-V160 PolarHBondContact O-N 3.36Å; H157-V160 CarbonylContact O-C 3.57Å | ||
| 161 | C | 91.9 | Very high | 79.3 | Confident | 53 Ų | 53 | 91.4 Ų | 91.4 | 36% | 0.358 | 48% | 0.476 | S | S | . | . | trans | -128.1 | 129.2 | 175.1 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | H157 N163 | H157-C161 PolarHBondContact NE2-SG 3.04Å; H157-C161 VanDerWaalsContact NE2-SG 3.42Å; C161-N163 VanDerWaalsContact C-N 3.27Å; C161-N163 PolarHBondContact O-N 2.84Å; C161-N163 PolarHBondContact SG-N 2.99Å | ||
| 162 | S | 87.3 | Confident | 77.3 | Confident | 47 Ų | 47 | 92 Ų | 92 | 33% | 0.329 | 48% | 0.483 | S | S | . | . | trans | -83.3 | -0.2 | 175.5 | 70.1 | 0 | 0 | 0 | 0 | 113.9 | C100 P101 T164 | C100-S162 PolarHBondContact SG-N 3.49Å; P101-S162 WeakPolarHBondContact CB-OG 3.43Å; S162-T164 PolarHBondContact O-N 3.26Å; S162-T164 PolarHBondContact O-OG1 2.87Å; S162-T164 PolarHBondContact OG-OG1 3.18Å | ||
| 163 | N | 85.8 | Confident | 75.4 | Confident | 143 Ų | 143 | 98 Ų | 98 | 77% | 0.765 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 57.3 | -16.5 | -170.8 | -62.8 | -47.5 | 0 | 0 | 0 | 116.6 | C161 C165 | C161-N163 VanDerWaalsContact C-N 3.27Å; C161-N163 PolarHBondContact O-N 2.84Å; C161-N163 PolarHBondContact SG-N 2.99Å; N163-C165 VanDerWaalsContact C-N 3.3Å; N163-C165 PolarHBondContact O-N 3.36Å |
| 164 | T | 86.9 | Confident | 72.9 | Confident | 107 Ų | 107 | 98.7 Ų | 98.7 | 66% | 0.656 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 1.1 | 176.9 | 51.2 | 0 | 0 | 0 | 0 | 114.3 | S162 | S162-T164 PolarHBondContact O-N 3.26Å; S162-T164 PolarHBondContact O-OG1 2.87Å; S162-T164 PolarHBondContact OG-OG1 3.18Å |
| 165 | C | 85.3 | Confident | 70.1 | Confident | 6 Ų | 6 | 105 Ų | 105 | 4% | 0.041 | 58% | 0.58 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | -15.7 | -168 | 73.8 | 0 | 0 | 0 | 0 | 115.4 | C100 P101 K133 F154 H157 N163 | C100-C165 WeakPolarHBondContact SG-CB 3.24Å; P101-C165 HydrophobicContact CB-CB 4.03Å; K133-C165 PolarHBondContact NZ-O 2.69Å; F154-C165 HydrophobicContact CE2-CB 3.61Å; F154-C165 HydrophobicContact CZ-CB 4.02Å; H157-C165 PolarHBondContact NE2-SG 3.26Å; N163-C165 VanDerWaalsContact C-N 3.3Å; N163-C165 PolarHBondContact O-N 3.36Å |
| 166 | R | 82.6 | Confident | 67.8 | Low | 174 Ų | 174 | 112.4 Ų | 112.4 | 66% | 0.657 | 61% | 0.607 | S | S | * | * | trans | -96.4 | 93.6 | 176 | -75.1 | -172.8 | 170.5 | -127.9 | -6.5 | 109.4 | T168 | R166-T168 PolarHBondContact O-N 2.88Š| ||
| 167 | S | 60.1 | Low | 65.2 | Low | 77 Ų | 77 | 115.6 Ų | 115.6 | 54% | 0.538 | 63% | 0.631 | S | S | . | * | trans | -76.4 | 19 | -172.2 | -41.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 168 | T | 48.4 | Very low | 62.4 | Low | 90 Ų | 90 | 120 Ų | 120 | 55% | 0.552 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -141 | 139.2 | 177.3 | 45.1 | 0 | 0 | 0 | 0 | 109 | R166 I170 | R166-T168 PolarHBondContact O-N 2.88Å; T168-I170 PolarHBondContact O-N 2.99Å |
| 169 | K | 43.6 | Very low | 59.7 | Low | 203 Ų | 203 | 122.2 Ų | 122.2 | 88% | 0.883 | 67% | 0.667 | S | S | * | * | trans | -44.5 | 129.4 | 175 | -176.9 | 179.6 | 179.5 | -177.2 | 0 | 110 | D171 | K169-D171 PolarHBondContact O-N 3.21Å; K169-D171 VanDerWaalsContact O-N 3.1Å | ||
| 170 | I | 48 | Very low | 57 | Low | 124 Ų | 124 | 125.8 Ų | 125.8 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | trans | -62.6 | 114.6 | 177.5 | -64.5 | 171.2 | 0 | 0 | 0 | 107.8 | T168 L172 | T168-I170 PolarHBondContact O-N 2.99Å; I170-L172 HydrophobicContact CG2-CD1 4.36Å | ||
| 171 | D | 38 | Very low | 54.1 | Low | 144 Ų | 144 | 128 Ų | 128 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | trans | -82.4 | 130.5 | 167.9 | -142.5 | -23.9 | 0 | 0 | 0 | 108.2 | K169 V173 | K169-D171 PolarHBondContact O-N 3.21Å; K169-D171 VanDerWaalsContact O-N 3.1Å; D171-V173 PolarHBondContact O-N 3.23Å | ||
| 172 | L | 47 | Very low | 51.4 | Low | 161 Ų | 161 | 134 Ų | 134 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -85.6 | 24.9 | -158.6 | -145.5 | 75.7 | 0 | 0 | 0 | 113.7 | I170 | I170-L172 HydrophobicContact CG2-CD1 4.36Š|
| 173 | V | 49.3 | Very low | 48.8 | Very low | 131 Ų | 131 | 140.9 Ų | 140.9 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | -128.9 | 112.9 | -169.7 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | D171 | D171-V173 PolarHBondContact O-N 3.23Š| ||
| 174 | G | 40.7 | Very low | 46.1 | Very low | 70 Ų | 70 | 138.9 Ų | 138.9 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 114.8 | 54.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||
| 175 | T | 35.3 | Very low | 43.4 | Very low | 139 Ų | 139 | 140 Ų | 140 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | -159 | 126.1 | 119.5 | -78.3 | 0 | 0 | 0 | 0 | 111 | |||||
| 176 | R | 45.7 | Very low | 41 | Very low | 227 Ų | 227 | 146.5 Ų | 146.5 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -60.2 | 156.8 | 178.3 | 56.7 | -153.5 | 159.7 | -175 | -4.9 | 114.1 | ||||
| 177 | V | 37.4 | Very low | 38.6 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | trans | 89.9 | 82.6 | 175.6 | -167.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 178 | S | 32.1 | Very low | 37.6 | Very low | 121 Ų | 121 | 150.9 Ų | 150.9 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -149.1 | 158.5 | 139.4 | -167.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 179 | L | 30.8 | Very low | 36.6 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | -91 | 128.8 | -167.4 | -74.6 | 166.6 | 0 | 0 | 0 | 113.4 | S181 | L179-S181 PolarHBondContact O-N 3.13Š| ||
| 180 | R | 33 | Very low | 36 | Very low | 240 Ų | 240 | 148.8 Ų | 148.8 | 91% | 0.906 | 81% | 0.809 | S | S | * | * | trans | -12.7 | 101.6 | 153.8 | -172.1 | -171.7 | -161 | 171.6 | 5.6 | 115.4 | ||||
| 181 | S | 27.9 | Very low | 35.4 | Very low | 117 Ų | 117 | 149 Ų | 149 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -137.3 | 124.8 | 144.9 | -168.1 | 0 | 0 | 0 | 0 | 108.8 | L179 | L179-S181 PolarHBondContact O-N 3.13Š| ||
| 182 | Q | 34 | Very low | 35.3 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -100.9 | 126 | 173 | -70.4 | 176.2 | -10.5 | 0 | 0 | 108.1 | ||||
| 183 | Q | 32 | Very low | 34.4 | Very low | 191 Ų | 191 | 145.9 Ų | 145.9 | 89% | 0.893 | 82% | 0.816 | S | S | * | * | trans | -153.6 | 119.2 | 130.3 | -162.5 | 154.7 | -0.9 | 0 | 0 | 109.9 | ||||
| 184 | S | 30.1 | Very low | 33.4 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | trans | -90.2 | 141.9 | 174.7 | -49.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 185 | T | 30.9 | Very low | 33.1 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -142.2 | 116.2 | 144.7 | 40.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 186 | D | 33.8 | Very low | 32.9 | Very low | 141 Ų | 141 | 145.9 Ų | 145.9 | 75% | 0.754 | 81% | 0.81 | S | S | * | * | trans | -69.4 | 137.5 | 176.3 | -58.8 | -98.1 | 0 | 0 | 0 | 111.7 | ||||
| 187 | Y | 33.4 | Very low | 32.3 | Very low | 223 Ų | 223 | 142.7 Ų | 142.7 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | trans | -141.4 | 120.9 | 155.9 | -97.3 | -75.9 | 0 | 0 | 0 | 111 | ||||
| 188 | V | 37.1 | Very low | 32.1 | Very low | 120 Ų | 120 | 142.6 Ų | 142.6 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | -92.3 | 122.3 | 177.5 | 175.6 | 0 | 0 | 0 | 0 | 109.5 | V190 | V188-V190 HydrophobicContact CG1-CG2 4.49Å; V188-V190 PolarHBondContact O-N 3.32Å | ||
| 189 | P | 29.4 | Very low | 32 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 79% | 0.792 | 79% | 0.791 | S | S | * | * | trans | -76.8 | 108.1 | 167.1 | -12 | 29.1 | 0 | 0 | 0 | 109.8 | ||||
| 190 | V | 30.8 | Very low | 31.9 | Very low | 128 Ų | 128 | 137.9 Ų | 137.9 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 125.3 | 173.2 | 174.6 | 0 | 0 | 0 | 0 | 109.9 | V188 | V188-V190 HydrophobicContact CG1-CG2 4.49Å; V188-V190 PolarHBondContact O-N 3.32Å |
| 191 | T | 33.9 | Very low | 32.1 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 130.5 | 171 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | ||
| 192 | P | 37 | Very low | 32.2 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 134.1 | 147.7 | 32.7 | -27.9 | 0 | 0 | 0 | 109.9 | ||
| 193 | S | 27.6 | Very low | 31.9 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 138.9 | 173 | -165.4 | 0 | 0 | 0 | 0 | 110.3 | ||
| 194 | S | 28.1 | Very low | 31.8 | Very low | 115 Ų | 115 | 132 Ų | 132 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 152.5 | 157 | 52 | 0 | 0 | 0 | 0 | 110.3 | ||
| 195 | A | 34.2 | Very low | 31.9 | Very low | 83 Ų | 83 | 132.8 Ų | 132.8 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | trans | -147.3 | 146.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 196 | D | 30.9 | Very low | 32.3 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | trans | 64.1 | 142 | 166.2 | -58.9 | -25.1 | 0 | 0 | 0 | 117.8 | ||||
| 197 | M | 34.6 | Very low | 32.3 | Very low | 160 Ų | 160 | 134 Ų | 134 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | cis | -156.1 | 160.8 | -6.3 | -117.1 | -61.4 | 164.8 | 0 | 0 | 112.1 | ||||
| 198 | N | 31.3 | Very low | 32.7 | Very low | 145 Ų | 145 | 129.3 Ų | 129.3 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | trans | 57.1 | 97.3 | 149.7 | -161 | 28.6 | 0 | 0 | 0 | 121.6 | ||||
| 199 | G | 31 | Very low | 32.4 | Very low | 61 Ų | 61 | 128.9 Ų | 128.9 | 63% | 0.629 | 78% | 0.784 | S | S | * | * | 56.1 | 111.7 | 114.8 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 200 | S | 29 | Very low | 32.8 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -153.9 | 149.5 | 139.6 | -84.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 201 | Q | 36.7 | Very low | 33.3 | Very low | 204 Ų | 204 | 126.2 Ų | 126.2 | 95% | 0.953 | 77% | 0.766 | S | S | * | * | trans | -89.1 | 133.4 | -174.8 | -151.3 | 172.8 | 15.6 | 0 | 0 | 109.8 | ||||
| 202 | A | 31.2 | Very low | 33.5 | Very low | 86 Ų | 86 | 128.6 Ų | 128.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -135.4 | 119.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 203 | T | 27.3 | Very low | 33.4 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 83% | 0.828 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 132.4 | -178 | -49.2 | 0 | 0 | 0 | 0 | 111.3 | P205 | T203-P205 WeakPolarHBondContact O-CD 3.48Š|
| 204 | F | 29.3 | Very low | 34.3 | Very low | 179 Ų | 179 | 125 Ų | 125 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 118.8 | 169.7 | 15.2 | -98.4 | 0 | 0 | 0 | 110.1 | ||
| 205 | P | 32.6 | Very low | 35 | Very low | 117 Ų | 117 | 125.2 Ų | 125.2 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 125.1 | 161.9 | -7.3 | 25.3 | 0 | 0 | 0 | 108.6 | T203 E207 | T203-P205 WeakPolarHBondContact O-CD 3.48Å; P205-E207 PolarHBondContact O-N 2.89Å |
| 206 | T | 40 | Very low | 35.4 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | trans | -76.8 | 99.4 | 170.4 | -59.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 207 | E | 31.8 | Very low | 36.2 | Very low | 166 Ų | 166 | 127.1 Ų | 127.1 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | trans | -123.5 | 138.4 | 168.6 | -79.2 | -63.2 | 170.1 | 0 | 0 | 110.8 | P205 S209 | P205-E207 PolarHBondContact O-N 2.89Å; E207-S209 PolarHBondContact O-N 2.85Å; E207-S209 VanDerWaalsContact O-N 3.16Å | ||
| 208 | V | 43.8 | Very low | 37.1 | Very low | 124 Ų | 124 | 124.9 Ų | 124.9 | 75% | 0.752 | 71% | 0.712 | S | S | * | * | trans | -88.8 | 87.8 | -165.7 | -176.9 | 0 | 0 | 0 | 0 | 110.7 | S210 | V208-S210 VanDerWaalsContact C-N 3.28Å; V208-S210 PolarHBondContact O-N 2.92Å | ||
| 209 | S | 29.5 | Very low | 38 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | -73.5 | 74.7 | 176.7 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | E207 D211 | E207-S209 PolarHBondContact O-N 2.85Å; E207-S209 VanDerWaalsContact O-N 3.16Å; S209-D211 PolarHBondContact O-N 2.74Å | ||
| 210 | S | 38.4 | Very low | 39.2 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | trans | -79.5 | 40 | 179.7 | -172 | 0 | 0 | 0 | 0 | 113.7 | V208 | V208-S210 VanDerWaalsContact C-N 3.28Å; V208-S210 PolarHBondContact O-N 2.92Å | ||
| 211 | D | 40.5 | Very low | 40.8 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 51% | 0.508 | 67% | 0.671 | S | S | . | * | trans | -118.9 | -0.1 | -159.4 | -155.3 | 33.5 | 0 | 0 | 0 | 115.3 | S209 T213 T214 | S209-D211 PolarHBondContact O-N 2.74Å; D211-T213 PolarHBondContact O-N 3.33Å; D211-T214 WeakPolarHBondContact O-CB 3.29Å; D211-T214 PolarHBondContact O-N 2.93Å; D211-T214 PolarHBondContact O-OG1 3.46Å; D211-T214 WeakPolarHBondContact OD1-CB 3.36Å; D211-T214 PolarHBondContact OD1-OG1 3.24Å | ||
| 212 | E | 38.9 | Very low | 42.5 | Very low | 178 Ų | 178 | 116.8 Ų | 116.8 | 83% | 0.832 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -17.5 | 178.3 | -168.5 | 152.1 | 71 | 0 | 0 | 113.1 | T214 | E212-T214 PolarHBondContact O-N 3.02Š|
| 213 | T | 33.9 | Very low | 44.5 | Very low | 111 Ų | 111 | 119.2 Ų | 119.2 | 68% | 0.681 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -21.1 | 167.5 | 8.3 | 0 | 0 | 0 | 0 | 113.4 | D211 | D211-T213 PolarHBondContact O-N 3.33Š|
| 214 | T | 46.8 | Very low | 47.1 | Very low | 54 Ų | 54 | 115.2 Ų | 115.2 | 33% | 0.331 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -90.9 | -27.2 | -163.4 | -35.6 | 0 | 0 | 0 | 0 | 113.1 | D211 E212 W216 V217 T218 | D211-T214 WeakPolarHBondContact O-CB 3.29Å; D211-T214 PolarHBondContact O-N 2.93Å; D211-T214 PolarHBondContact O-OG1 3.46Å; D211-T214 WeakPolarHBondContact OD1-CB 3.36Å; D211-T214 PolarHBondContact OD1-OG1 3.24Å; E212-T214 PolarHBondContact O-N 3.02Å; T214-W216 PolarHBondContact O-N 2.84Å; T214-V217 PolarHBondContact O-N 3Å; T214-T218 PolarHBondContact O-N 3.25Å; T214-T218 PolarHBondContact O-OG1 3.11Å |
| 215 | E | 43.4 | Very low | 49.5 | Very low | 118 Ų | 118 | 110 Ų | 110 | 55% | 0.551 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -61.2 | -29.3 | -178.7 | -68.1 | -159.2 | 155.5 | 0 | 0 | 113 | K325 | E215-K325 IonicContact OE1-NZ 3.26Å; E215-K325 PolarHBondContact OE1-NZ 2.93Å |
| 216 | W | 42.5 | Very low | 51.9 | Low | 176 Ų | 176 | 107.7 Ų | 107.7 | 67% | 0.667 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -75.8 | -37.2 | 172.6 | -70 | 96.4 | 0 | 0 | 0 | 113 | T214 T218 A219 I220 | T214-W216 PolarHBondContact O-N 2.84Å; W216-T218 VanDerWaalsContact C-N 3.26Å; W216-T218 PolarHBondContact O-N 3.08Å; W216-A219 WeakPolarHBondContact O-CB 3.37Å; W216-A219 PolarHBondContact O-N 3.31Å; W216-I220 PolarHBondContact O-N 2.9Å |
| 217 | V | 47.8 | Very low | 54.1 | Low | 90 Ų | 90 | 107.1 Ų | 107.1 | 55% | 0.545 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.3 | -34.4 | 176.2 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | T214 A219 I220 | T214-V217 PolarHBondContact O-N 3Å; V217-A219 PolarHBondContact O-N 3.38Å; V217-I220 WeakPolarHBondContact O-CB 3.47Å; V217-I220 PolarHBondContact O-N 3.23Å |
| 218 | T | 54.2 | Low | 56.7 | Low | 112 Ų | 112 | 104.9 Ų | 104.9 | 69% | 0.687 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -14.8 | 173.7 | -40 | 0 | 0 | 0 | 0 | 113.7 | T214 W216 | T214-T218 PolarHBondContact O-N 3.25Å; T214-T218 PolarHBondContact O-OG1 3.11Å; W216-T218 VanDerWaalsContact C-N 3.26Å; W216-T218 PolarHBondContact O-N 3.08Å |
| 219 | A | 49.2 | Very low | 58.6 | Low | 79 Ų | 79 | 105.7 Ų | 105.7 | 65% | 0.653 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -17.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113 | W216 V217 G221 | W216-A219 WeakPolarHBondContact O-CB 3.37Å; W216-A219 PolarHBondContact O-N 3.31Å; V217-A219 PolarHBondContact O-N 3.38Å; A219-G221 PolarHBondContact O-N 3.39Å |
| 220 | I | 55.9 | Low | 61.3 | Low | 97 Ų | 97 | 102 Ų | 102 | 50% | 0.497 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -76.8 | 103.7 | 164.8 | -60 | 174.6 | 0 | 0 | 0 | 106.3 | W216 V217 V225 | W216-I220 PolarHBondContact O-N 2.9Å; V217-I220 WeakPolarHBondContact O-CB 3.47Å; V217-I220 PolarHBondContact O-N 3.23Å; I220-V225 HydrophobicContact CG2-CG2 4.27Å |
| 221 | G | 63.8 | Low | 63.7 | Low | 29 Ų | 29 | 98.6 Ų | 98.6 | 30% | 0.299 | 52% | 0.522 | S | S | . | . | trans | -57.4 | 153.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A219 D223 S224 V225 | A219-G221 PolarHBondContact O-N 3.39Å; G221-D223 PolarHBondContact O-N 3.2Å; G221-D223 VanDerWaalsContact O-N 3.14Å; G221-S224 WeakPolarHBondContact O-CA 3.49Å; G221-S224 WeakPolarHBondContact O-CB 3.47Å; G221-S224 PolarHBondContact O-N 2.86Å; G221-V225 PolarHBondContact O-N 2.91Å | ||
| 222 | E | 71.7 | Confident | 65.9 | Low | 165 Ų | 165 | 101 Ų | 101 | 77% | 0.771 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -55.3 | -31.9 | 175.5 | -167.9 | 171.1 | 179.6 | 0 | 0 | 111.7 | S224 V225 T226 | E222-S224 VanDerWaalsContact C-N 3.34Å; E222-S224 PolarHBondContact O-N 2.68Å; E222-V225 PolarHBondContact O-N 2.74Å; E222-T226 WeakPolarHBondContact O-CB 3.34Å; E222-T226 WeakPolarHBondContact O-CG2 3.38Å; E222-T226 PolarHBondContact O-N 3.27Å; E222-T226 PolarHBondContact O-OG1 2.86Å |
| 223 | D | 74.2 | Confident | 68.2 | Low | 136 Ų | 136 | 99.4 Ų | 99.4 | 73% | 0.727 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59 | -37.9 | 170.7 | -56.5 | -44.9 | 0 | 0 | 0 | 113.4 | G221 T226 F227 | G221-D223 PolarHBondContact O-N 3.2Å; G221-D223 VanDerWaalsContact O-N 3.14Å; D223-T226 VanDerWaalsContact CA-OG1 3.28Å; D223-T226 WeakPolarHBondContact CA-OG1 3.25Å; D223-T226 PolarHBondContact O-OG1 3.01Å; D223-T226 VanDerWaalsContact O-OG1 3.1Å; D223-F227 VanDerWaalsContact O-CB 3.29Å; D223-F227 WeakPolarHBondContact O-CB 3.11Å; D223-F227 PolarHBondContact O-N 3.02Å |
| 224 | S | 81.2 | Confident | 70.8 | Confident | 51 Ų | 51 | 97.3 Ų | 97.3 | 36% | 0.357 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -74.4 | -38.8 | 176.4 | -56.2 | 0 | 0 | 0 | 0 | 111.7 | G221 E222 T226 F227 W228 | G221-S224 WeakPolarHBondContact O-CA 3.49Å; G221-S224 WeakPolarHBondContact O-CB 3.47Å; G221-S224 PolarHBondContact O-N 2.86Å; E222-S224 VanDerWaalsContact C-N 3.34Å; E222-S224 PolarHBondContact O-N 2.68Å; S224-T226 VanDerWaalsContact C-N 3.35Å; S224-F227 PolarHBondContact O-N 3.29Å; S224-W228 PolarHBondContact O-N 2.99Å |
| 225 | V | 79.8 | Confident | 72.7 | Confident | 69 Ų | 69 | 97.4 Ų | 97.4 | 42% | 0.418 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.2 | -36.6 | 176.5 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | I220 G221 E222 R229 | I220-V225 HydrophobicContact CG2-CG2 4.27Å; G221-V225 PolarHBondContact O-N 2.91Å; E222-V225 PolarHBondContact O-N 2.74Å; V225-R229 VanDerWaalsContact O-CB 3.24Å; V225-R229 WeakPolarHBondContact O-CB 3.38Å; V225-R229 PolarHBondContact O-N 2.89Å |
| 226 | T | 82.1 | Confident | 74.9 | Confident | 70 Ų | 70 | 95.6 Ų | 95.6 | 43% | 0.429 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -74.1 | -33.3 | 173.9 | 50.2 | 0 | 0 | 0 | 0 | 112.8 | E222 D223 S224 R229 G230 | E222-T226 WeakPolarHBondContact O-CB 3.34Å; E222-T226 WeakPolarHBondContact O-CG2 3.38Å; E222-T226 PolarHBondContact O-N 3.27Å; E222-T226 PolarHBondContact O-OG1 2.86Å; D223-T226 VanDerWaalsContact CA-OG1 3.28Å; D223-T226 WeakPolarHBondContact CA-OG1 3.25Å; D223-T226 PolarHBondContact O-OG1 3.01Å; D223-T226 VanDerWaalsContact O-OG1 3.1Å; S224-T226 VanDerWaalsContact C-N 3.35Å; T226-R229 PolarHBondContact O-N 3.42Å; T226-G230 PolarHBondContact O-N 2.81Å |
| 227 | F | 86.3 | Confident | 77.1 | Confident | 119 Ų | 119 | 89.1 Ų | 89.1 | 52% | 0.522 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59 | -55.3 | 168.5 | 168.3 | -97.5 | 0 | 0 | 0 | 111.9 | D223 S224 R229 G230 L231 | D223-F227 VanDerWaalsContact O-CB 3.29Å; D223-F227 WeakPolarHBondContact O-CB 3.11Å; D223-F227 PolarHBondContact O-N 3.02Å; S224-F227 PolarHBondContact O-N 3.29Å; F227-R229 VanDerWaalsContact C-N 3.26Å; F227-R229 PolarHBondContact O-N 2.89Å; F227-G230 PolarHBondContact O-N 3.05Å; F227-G230 VanDerWaalsContact O-N 3.11Å; F227-L231 PolarHBondContact O-N 3.34Å |
| 228 | W | 86.1 | Confident | 79 | Confident | 119 Ų | 119 | 90.9 Ų | 90.9 | 45% | 0.451 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -31.4 | 179.9 | -72.7 | 116.6 | 0 | 0 | 0 | 112.5 | S224 L231 K232 L237 V240 | S224-W228 PolarHBondContact O-N 2.99Å; W228-L231 HydrophobicContact CE3-CD2 3.6Å; W228-L231 HydrophobicContact CZ3-CD2 3.49Å; W228-L231 VanDerWaalsContact CZ3-CD2 3.49Å; W228-K232 WeakPolarHBondContact O-CB 3.33Å; W228-K232 PolarHBondContact O-N 3.42Å; W228-L237 HydrophobicContact CE3-CD1 3.6Å; W228-L237 HydrophobicContact CZ3-CD1 3.86Å; W228-V240 HydrophobicContact CH2-CG1 4.1Å; W228-V240 HydrophobicContact CZ3-CG1 3.96Å |
| 229 | R | 84.3 | Confident | 80.7 | Confident | 141 Ų | 141 | 91 Ų | 91 | 53% | 0.532 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.1 | -50 | 169.5 | 177.9 | -176.3 | -54.4 | -75.1 | -4 | 111.8 | V225 T226 F227 L231 K232 E233 | V225-R229 VanDerWaalsContact O-CB 3.24Å; V225-R229 WeakPolarHBondContact O-CB 3.38Å; V225-R229 PolarHBondContact O-N 2.89Å; T226-R229 PolarHBondContact O-N 3.42Å; F227-R229 VanDerWaalsContact C-N 3.26Å; F227-R229 PolarHBondContact O-N 2.89Å; R229-L231 VanDerWaalsContact C-N 3.32Å; R229-L231 PolarHBondContact O-N 3.26Å; R229-K232 WeakPolarHBondContact O-CB 3.47Å; R229-K232 PolarHBondContact O-N 3.37Å; R229-K232 VanDerWaalsContact O-N 3.16Å; R229-E233 WeakPolarHBondContact CD-OE1 3.37Å; R229-E233 HydrophobicContact CG-CG 4.45Å; R229-E233 WeakPolarHBondContact CG-OE1 3.21Å; R229-E233 WeakPolarHBondContact O-CB 3.43Å; R229-E233 WeakPolarHBondContact O-CG 3.36Å; R229-E233 PolarHBondContact O-N 2.85Å |
| 230 | G | 86.6 | Confident | 82.7 | Confident | 35 Ų | 35 | 90 Ų | 90 | 36% | 0.361 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T226 F227 E233 A234 | T226-G230 PolarHBondContact O-N 2.81Å; F227-G230 PolarHBondContact O-N 3.05Å; F227-G230 VanDerWaalsContact O-N 3.11Å; G230-E233 PolarHBondContact O-N 3.1Å; G230-A234 VanDerWaalsContact O-CB 3.31Å; G230-A234 WeakPolarHBondContact O-CB 3.25Å; G230-A234 PolarHBondContact O-N 3.34Å |
| 231 | L | 88.1 | Confident | 84.3 | Confident | 26 Ų | 26 | 88.4 Ų | 88.4 | 14% | 0.136 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 173.7 | -165.3 | 75.8 | 0 | 0 | 0 | 111.8 | F227 W228 R229 A234 G235 L236 L237 V240 | F227-L231 PolarHBondContact O-N 3.34Å; W228-L231 HydrophobicContact CE3-CD2 3.6Å; W228-L231 HydrophobicContact CZ3-CD2 3.49Å; W228-L231 VanDerWaalsContact CZ3-CD2 3.49Å; R229-L231 VanDerWaalsContact C-N 3.32Å; R229-L231 PolarHBondContact O-N 3.26Å; L231-A234 PolarHBondContact O-N 3.3Å; L231-G235 PolarHBondContact O-N 2.86Å; L231-L236 HydrophobicContact CD1-CB 3.71Å; L231-L236 HydrophobicContact CD1-CD1 4.33Å; L231-L236 HydrophobicContact CG-CB 4.08Å; L231-L236 PolarHBondContact O-N 2.82Å; L231-L237 HydrophobicContact CD2-CD1 4.23Å; L231-L237 PolarHBondContact O-N 3.42Å; L231-V240 HydrophobicContact CD2-CB 4.13Å; L231-V240 HydrophobicContact CD2-CG1 4.2Å; L231-V240 HydrophobicContact CD2-CG2 4.15Å |
| 232 | K | 86.4 | Confident | 85.6 | Confident | 145 Ų | 145 | 93.2 Ų | 93.2 | 63% | 0.63 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -67.3 | -42.3 | 173.5 | -171.2 | 172.3 | -178.4 | 166 | 0 | 112.7 | W228 R229 A234 G235 L237 | W228-K232 WeakPolarHBondContact O-CB 3.33Å; W228-K232 PolarHBondContact O-N 3.42Å; R229-K232 WeakPolarHBondContact O-CB 3.47Å; R229-K232 PolarHBondContact O-N 3.37Å; R229-K232 VanDerWaalsContact O-N 3.16Å; K232-A234 PolarHBondContact O-N 2.88Å; K232-G235 PolarHBondContact O-N 3.36Å; K232-L237 HydrophobicContact CB-CB 4.17Å; K232-L237 HydrophobicContact CB-CD2 3.9Å; K232-L237 HydrophobicContact CD-CD2 3.89Å; K232-L237 HydrophobicContact CG-CD2 3.88Å |
| 233 | E | 88.6 | Confident | 86.6 | Confident | 146 Ų | 146 | 89.6 Ų | 89.6 | 68% | 0.682 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.8 | -24.8 | 177.1 | -72.7 | 167.5 | -168.3 | 0 | 0 | 112 | R229 G230 | R229-E233 WeakPolarHBondContact CD-OE1 3.37Å; R229-E233 HydrophobicContact CG-CG 4.45Å; R229-E233 WeakPolarHBondContact CG-OE1 3.21Å; R229-E233 WeakPolarHBondContact O-CB 3.43Å; R229-E233 WeakPolarHBondContact O-CG 3.36Å; R229-E233 PolarHBondContact O-N 2.85Å; G230-E233 PolarHBondContact O-N 3.1Å |
| 234 | A | 86.9 | Confident | 87.4 | Confident | 66 Ų | 66 | 89.1 Ų | 89.1 | 55% | 0.545 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -6.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G230 L231 K232 L236 | G230-A234 VanDerWaalsContact O-CB 3.31Å; G230-A234 WeakPolarHBondContact O-CB 3.25Å; G230-A234 PolarHBondContact O-N 3.34Å; L231-A234 PolarHBondContact O-N 3.3Å; K232-A234 PolarHBondContact O-N 2.88Å; A234-L236 HydrophobicContact CB-CD1 4.32Å; A234-L236 HydrophobicContact CB-CG 4.34Å; A234-L236 PolarHBondContact O-N 2.83Å |
| 235 | G | 87.9 | Confident | 87.9 | Confident | 57 Ų | 57 | 92.5 Ų | 92.5 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | -5.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | L231 K232 L237 | L231-G235 PolarHBondContact O-N 2.86Å; K232-G235 PolarHBondContact O-N 3.36Å; G235-L237 VanDerWaalsContact C-N 3.29Å; G235-L237 PolarHBondContact O-N 3.49Å |
| 236 | L | 88.6 | Confident | 88.6 | Confident | 80 Ų | 80 | 94.3 Ų | 94.3 | 42% | 0.419 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -1.7 | -174.6 | -60.8 | 173.4 | 0 | 0 | 0 | 114 | L231 A234 E239 V240 | L231-L236 HydrophobicContact CD1-CB 3.71Å; L231-L236 HydrophobicContact CD1-CD1 4.33Å; L231-L236 HydrophobicContact CG-CB 4.08Å; L231-L236 PolarHBondContact O-N 2.82Å; A234-L236 HydrophobicContact CB-CD1 4.32Å; A234-L236 HydrophobicContact CB-CG 4.34Å; A234-L236 PolarHBondContact O-N 2.83Å; L236-E239 WeakPolarHBondContact CD2-OE2 3.36Å; L236-V240 WeakPolarHBondContact O-CG2 3.5Å; L236-V240 PolarHBondContact O-N 3.41Å |
| 237 | L | 89.1 | Confident | 89.2 | Confident | 39 Ų | 39 | 96.9 Ų | 96.9 | 20% | 0.204 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -64 | -40.5 | -178.9 | 178.7 | 66.1 | 0 | 0 | 0 | 112.3 | W228 L231 K232 G235 V241 | W228-L237 HydrophobicContact CE3-CD1 3.6Å; W228-L237 HydrophobicContact CZ3-CD1 3.86Å; L231-L237 HydrophobicContact CD2-CD1 4.23Å; L231-L237 PolarHBondContact O-N 3.42Å; K232-L237 HydrophobicContact CB-CB 4.17Å; K232-L237 HydrophobicContact CB-CD2 3.9Å; K232-L237 HydrophobicContact CD-CD2 3.89Å; K232-L237 HydrophobicContact CG-CD2 3.88Å; G235-L237 VanDerWaalsContact C-N 3.29Å; G235-L237 PolarHBondContact O-N 3.49Å; L237-V241 HydrophobicContact CD1-CG2 4.12Å; L237-V241 HydrophobicContact CG-CG2 4.41Å; L237-V241 WeakPolarHBondContact O-CB 3.19Å; L237-V241 VanDerWaalsContact O-CG2 3.26Å; L237-V241 WeakPolarHBondContact O-CG2 3.34Å; L237-V241 PolarHBondContact O-N 3.48Å |
| 238 | E | 87.7 | Confident | 89.4 | Confident | 127 Ų | 127 | 95 Ų | 95 | 59% | 0.593 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.1 | -48.7 | -176.2 | -147.9 | 70.6 | -158.6 | 0 | 0 | 110.5 | V240 V241 E242 | E238-V240 VanDerWaalsContact C-N 3.33Å; E238-V240 PolarHBondContact O-N 3.31Å; E238-V241 CarbonylContact O-C 3.54Å; E238-V241 PolarHBondContact O-N 2.92Å; E238-E242 WeakPolarHBondContact O-CG 3.43Å; E238-E242 PolarHBondContact O-N 2.91Å |
| 239 | E | 90.3 | Very high | 89.8 | Confident | 116 Ų | 116 | 95.3 Ų | 95.3 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -53.6 | -46.4 | 175.6 | -176 | 175.8 | -154.9 | 0 | 0 | 111.9 | L236 V241 E242 D243 | L236-E239 WeakPolarHBondContact CD2-OE2 3.36Å; E239-V241 PolarHBondContact O-N 3.35Å; E239-E242 PolarHBondContact O-N 2.89Å; E239-D243 WeakPolarHBondContact O-CB 3.39Å; E239-D243 PolarHBondContact O-N 3.31Å |
| 240 | V | 91.8 | Very high | 90.3 | Very high | 57 Ų | 57 | 94.2 Ų | 94.2 | 35% | 0.345 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.4 | -29.7 | 177.9 | 170.1 | 0 | 0 | 0 | 0 | 112.8 | W228 L231 L236 E238 F244 | W228-V240 HydrophobicContact CH2-CG1 4.1Å; W228-V240 HydrophobicContact CZ3-CG1 3.96Å; L231-V240 HydrophobicContact CD2-CB 4.13Å; L231-V240 HydrophobicContact CD2-CG1 4.2Å; L231-V240 HydrophobicContact CD2-CG2 4.15Å; L236-V240 WeakPolarHBondContact O-CG2 3.5Å; L236-V240 PolarHBondContact O-N 3.41Å; E238-V240 VanDerWaalsContact C-N 3.33Å; E238-V240 PolarHBondContact O-N 3.31Å; V240-F244 WeakPolarHBondContact O-CB 3.25Å; V240-F244 PolarHBondContact O-N 3.01Å; V240-F244 VanDerWaalsContact O-N 3.08Å |
| 241 | V | 89 | Confident | 90.5 | Very high | 64 Ų | 64 | 96.4 Ų | 96.4 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.7 | -39.3 | 174.6 | 168.2 | 0 | 0 | 0 | 0 | 111.2 | L237 E238 E239 F244 Q245 | L237-V241 HydrophobicContact CD1-CG2 4.12Å; L237-V241 HydrophobicContact CG-CG2 4.41Å; L237-V241 WeakPolarHBondContact O-CB 3.19Å; L237-V241 VanDerWaalsContact O-CG2 3.26Å; L237-V241 WeakPolarHBondContact O-CG2 3.34Å; L237-V241 PolarHBondContact O-N 3.48Å; E238-V241 CarbonylContact O-C 3.54Å; E238-V241 PolarHBondContact O-N 2.92Å; E239-V241 PolarHBondContact O-N 3.35Å; V241-F244 PolarHBondContact O-N 3.47Å; V241-Q245 VanDerWaalsContact O-CB 3.23Å; V241-Q245 WeakPolarHBondContact O-CB 3.5Å; V241-Q245 PolarHBondContact O-N 3.33Å |
| 242 | E | 91.5 | Very high | 90.5 | Very high | 129 Ų | 129 | 100.2 Ų | 100.2 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -47.5 | 174.1 | -73 | -174.9 | 168.1 | 0 | 0 | 111.3 | E238 E239 Q245 K246 | E238-E242 WeakPolarHBondContact O-CG 3.43Å; E238-E242 PolarHBondContact O-N 2.91Å; E239-E242 PolarHBondContact O-N 2.89Å; E242-Q245 PolarHBondContact O-N 3.25Å; E242-K246 VanDerWaalsContact O-CB 3.24Å; E242-K246 WeakPolarHBondContact O-CB 3.33Å; E242-K246 PolarHBondContact O-N 2.68Å |
| 243 | D | 91.7 | Very high | 90.7 | Very high | 89 Ų | 89 | 99.4 Ų | 99.4 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -40.9 | 175.8 | -95.3 | -21.2 | 0 | 0 | 0 | 112 | E239 K246 E247 | E239-D243 WeakPolarHBondContact O-CB 3.39Å; E239-D243 PolarHBondContact O-N 3.31Å; D243-K246 PolarHBondContact O-N 3.26Å; D243-K246 IonicContact OD1-NZ 2.98Å; D243-E247 WeakPolarHBondContact O-CB 3.46Å; D243-E247 PolarHBondContact O-N 2.8Å |
| 244 | F | 91.9 | Very high | 90.7 | Very high | 126 Ų | 126 | 93.4 Ų | 93.4 | 55% | 0.553 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67 | -39 | 176 | -178.5 | -113 | 0 | 0 | 0 | 112.4 | V240 V241 K246 I248 | V240-F244 WeakPolarHBondContact O-CB 3.25Å; V240-F244 PolarHBondContact O-N 3.01Å; V240-F244 VanDerWaalsContact O-N 3.08Å; V241-F244 PolarHBondContact O-N 3.47Å; F244-K246 VanDerWaalsContact C-N 3.35Å; F244-I248 HydrophobicContact CD1-CD1 3.93Å; F244-I248 HydrophobicContact CD2-CD1 4.5Å; F244-I248 HydrophobicContact CE1-CD1 3.48Å; F244-I248 VanDerWaalsContact CE1-CD1 3.48Å; F244-I248 HydrophobicContact CE2-CD1 4.1Å; F244-I248 HydrophobicContact CE2-CG1 4.48Å; F244-I248 HydrophobicContact CG-CD1 4.43Å; F244-I248 HydrophobicContact CZ-CD1 3.59Å; F244-I248 HydrophobicContact CZ-CG1 4.41Å; F244-I248 WeakPolarHBondContact O-CB 3.25Å; F244-I248 WeakPolarHBondContact O-CG1 3.37Å; F244-I248 PolarHBondContact O-N 2.91Å |
| 245 | Q | 91.3 | Very high | 90.4 | Very high | 123 Ų | 123 | 94.5 Ų | 94.5 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.4 | -42.2 | 173.2 | 177.1 | 173.9 | -29.2 | 0 | 0 | 111.1 | V241 E242 Q249 | V241-Q245 VanDerWaalsContact O-CB 3.23Å; V241-Q245 WeakPolarHBondContact O-CB 3.5Å; V241-Q245 PolarHBondContact O-N 3.33Å; E242-Q245 PolarHBondContact O-N 3.25Å; Q245-Q249 VanDerWaalsContact O-CB 3.31Å; Q245-Q249 WeakPolarHBondContact O-CB 3.36Å; Q245-Q249 PolarHBondContact O-N 2.99Å |
| 246 | K | 95.1 | Very high | 90.1 | Very high | 106 Ų | 106 | 97 Ų | 97 | 46% | 0.461 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 176.2 | 175.9 | -174.3 | 160.4 | -154.4 | 0 | 112 | E242 D243 F244 I248 Q249 E250 | E242-K246 VanDerWaalsContact O-CB 3.24Å; E242-K246 WeakPolarHBondContact O-CB 3.33Å; E242-K246 PolarHBondContact O-N 2.68Å; D243-K246 PolarHBondContact O-N 3.26Å; D243-K246 IonicContact OD1-NZ 2.98Å; F244-K246 VanDerWaalsContact C-N 3.35Å; K246-I248 PolarHBondContact O-N 3Å; K246-Q249 CarbonylContact O-C 3.52Å; K246-Q249 PolarHBondContact O-N 2.98Å; K246-Q249 VanDerWaalsContact O-N 3.08Å; K246-E250 WeakPolarHBondContact CE-OE1 3.45Å; K246-E250 WeakPolarHBondContact O-CB 3.48Å; K246-E250 WeakPolarHBondContact O-CG 3.24Å; K246-E250 PolarHBondContact O-N 3.31Å |
| 247 | E | 93.6 | Very high | 89.8 | Confident | 125 Ų | 125 | 98.1 Ų | 98.1 | 58% | 0.584 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.2 | -44.2 | 176.1 | -173.3 | -179.9 | -157.6 | 0 | 0 | 110.8 | D243 Q249 E250 V251 | D243-E247 WeakPolarHBondContact O-CB 3.46Å; D243-E247 PolarHBondContact O-N 2.8Å; E247-Q249 VanDerWaalsContact C-N 3.31Å; E247-Q249 PolarHBondContact O-N 2.99Å; E247-E250 PolarHBondContact O-N 3.24Å; E247-V251 WeakPolarHBondContact O-CB 3.43Å; E247-V251 VanDerWaalsContact O-CG2 3.29Å; E247-V251 WeakPolarHBondContact O-CG2 3.44Å; E247-V251 PolarHBondContact O-N 3.41Å |
| 248 | I | 92 | Very high | 89.1 | Confident | 78 Ų | 78 | 104.3 Ų | 104.3 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.2 | -44.1 | 171.3 | -75.5 | 173.3 | 0 | 0 | 0 | 111 | F244 K246 V251 L252 | F244-I248 HydrophobicContact CD1-CD1 3.93Å; F244-I248 HydrophobicContact CD2-CD1 4.5Å; F244-I248 HydrophobicContact CE1-CD1 3.48Å; F244-I248 VanDerWaalsContact CE1-CD1 3.48Å; F244-I248 HydrophobicContact CE2-CD1 4.1Å; F244-I248 HydrophobicContact CE2-CG1 4.48Å; F244-I248 HydrophobicContact CG-CD1 4.43Å; F244-I248 HydrophobicContact CZ-CD1 3.59Å; F244-I248 HydrophobicContact CZ-CG1 4.41Å; F244-I248 WeakPolarHBondContact O-CB 3.25Å; F244-I248 WeakPolarHBondContact O-CG1 3.37Å; F244-I248 PolarHBondContact O-N 2.91Å; K246-I248 PolarHBondContact O-N 3Å; I248-V251 PolarHBondContact O-N 3.16Å; I248-L252 HydrophobicContact CG2-CD1 3.75Å; I248-L252 HydrophobicContact CG2-CG 4.3Å; I248-L252 VanDerWaalsContact O-CB 3.28Å; I248-L252 WeakPolarHBondContact O-CB 3.41Å; I248-L252 VanDerWaalsContact O-CG 3.24Å; I248-L252 WeakPolarHBondContact O-CG 3.23Å; I248-L252 PolarHBondContact O-N 3.43Å |
| 249 | Q | 92.8 | Very high | 88.3 | Confident | 127 Ų | 127 | 104 Ų | 104 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.7 | -35.9 | -178.2 | -168.2 | 168.3 | 4.9 | 0 | 0 | 112.5 | Q245 K246 E247 K253 | Q245-Q249 VanDerWaalsContact O-CB 3.31Å; Q245-Q249 WeakPolarHBondContact O-CB 3.36Å; Q245-Q249 PolarHBondContact O-N 2.99Å; K246-Q249 CarbonylContact O-C 3.52Å; K246-Q249 PolarHBondContact O-N 2.98Å; K246-Q249 VanDerWaalsContact O-N 3.08Å; E247-Q249 VanDerWaalsContact C-N 3.31Å; E247-Q249 PolarHBondContact O-N 2.99Å; Q249-K253 WeakPolarHBondContact O-CB 3.24Å; Q249-K253 PolarHBondContact O-N 2.92Å |
| 250 | E | 94.6 | Very high | 87.3 | Confident | 117 Ų | 117 | 102.7 Ų | 102.7 | 55% | 0.547 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.5 | -42.2 | 173.2 | -74 | -179.1 | -165.3 | 0 | 0 | 111.6 | K246 E247 K253 G254 | K246-E250 WeakPolarHBondContact CE-OE1 3.45Å; K246-E250 WeakPolarHBondContact O-CB 3.48Å; K246-E250 WeakPolarHBondContact O-CG 3.24Å; K246-E250 PolarHBondContact O-N 3.31Å; E247-E250 PolarHBondContact O-N 3.24Å; E250-K253 PolarHBondContact O-N 3.42Å; E250-G254 PolarHBondContact O-N 3.1Å |
| 251 | V | 91.9 | Very high | 86.1 | Confident | 81 Ų | 81 | 106.4 Ų | 106.4 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.6 | -43.7 | 173.8 | 170 | 0 | 0 | 0 | 0 | 111.3 | E247 I248 G254 M255 | E247-V251 WeakPolarHBondContact O-CB 3.43Å; E247-V251 VanDerWaalsContact O-CG2 3.29Å; E247-V251 WeakPolarHBondContact O-CG2 3.44Å; E247-V251 PolarHBondContact O-N 3.41Å; I248-V251 PolarHBondContact O-N 3.16Å; V251-G254 PolarHBondContact O-N 3.08Å; V251-M255 HydrophobicContact CG1-SD 4.34Å; V251-M255 WeakPolarHBondContact O-CB 3.25Å; V251-M255 WeakPolarHBondContact O-CG 3.45Å; V251-M255 PolarHBondContact O-N 3.12Å |
| 252 | L | 87.1 | Confident | 85.2 | Confident | 107 Ų | 107 | 108.1 Ų | 108.1 | 56% | 0.56 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 175.4 | -75.6 | 173.9 | 0 | 0 | 0 | 111.7 | I248 M255 Q256 | I248-L252 HydrophobicContact CG2-CD1 3.75Å; I248-L252 HydrophobicContact CG2-CG 4.3Å; I248-L252 VanDerWaalsContact O-CB 3.28Å; I248-L252 WeakPolarHBondContact O-CB 3.41Å; I248-L252 VanDerWaalsContact O-CG 3.24Å; I248-L252 WeakPolarHBondContact O-CG 3.23Å; I248-L252 PolarHBondContact O-N 3.43Å; L252-M255 PolarHBondContact O-N 2.8Å; L252-Q256 WeakPolarHBondContact O-CB 3.32Å; L252-Q256 PolarHBondContact O-N 3.12Å |
| 253 | K | 91.8 | Very high | 84.1 | Confident | 127 Ų | 127 | 107.6 Ų | 107.6 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.5 | -50.3 | 173.4 | 178.1 | -179.8 | 167.1 | -174.3 | 0 | 111.4 | Q249 E250 M255 Q256 E257 | Q249-K253 WeakPolarHBondContact O-CB 3.24Å; Q249-K253 PolarHBondContact O-N 2.92Å; E250-K253 PolarHBondContact O-N 3.42Å; K253-M255 PolarHBondContact O-N 3.08Å; K253-Q256 CarbonylContact O-C 3.45Å; K253-Q256 PolarHBondContact O-N 2.77Å; K253-E257 WeakPolarHBondContact CE-OE1 3.38Å; K253-E257 HydrophobicContact CG-CG 4.43Å; K253-E257 IonicContact NZ-OE1 2.7Å; K253-E257 WeakPolarHBondContact O-CG 3.24Å; K253-E257 PolarHBondContact O-N 3.09Å |
| 254 | G | 87.9 | Confident | 82.9 | Confident | 21 Ų | 21 | 109.5 Ų | 109.5 | 22% | 0.216 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -68.2 | -16.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E250 V251 R258 | E250-G254 PolarHBondContact O-N 3.1Å; V251-G254 PolarHBondContact O-N 3.08Å; G254-R258 PolarHBondContact O-NE 2.94Å; G254-R258 PolarHBondContact O-NH2 3.21Å |
| 255 | M | 81.1 | Confident | 82.2 | Confident | 88 Ų | 88 | 108.8 Ų | 108.8 | 43% | 0.433 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -80 | -45.1 | 164.3 | -77 | -177.7 | 63.9 | 0 | 0 | 111.7 | V251 L252 K253 E257 R258 I259 | V251-M255 HydrophobicContact CG1-SD 4.34Å; V251-M255 WeakPolarHBondContact O-CB 3.25Å; V251-M255 WeakPolarHBondContact O-CG 3.45Å; V251-M255 PolarHBondContact O-N 3.12Å; L252-M255 PolarHBondContact O-N 2.8Å; K253-M255 PolarHBondContact O-N 3.08Å; M255-E257 PolarHBondContact O-N 2.81Å; M255-R258 PolarHBondContact O-N 3.29Å; M255-I259 WeakPolarHBondContact O-CB 3.25Å; M255-I259 WeakPolarHBondContact O-CD1 3.24Å; M255-I259 VanDerWaalsContact O-CG1 3.22Å; M255-I259 WeakPolarHBondContact O-CG1 3.32Å; M255-I259 PolarHBondContact O-N 2.92Å |
| 256 | Q | 81.9 | Confident | 81.5 | Confident | 111 Ų | 111 | 108.5 Ų | 108.5 | 52% | 0.519 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.3 | -42.6 | 178.1 | -178.4 | 58.6 | 47 | 0 | 0 | 111.5 | L252 K253 I259 T260 | L252-Q256 WeakPolarHBondContact O-CB 3.32Å; L252-Q256 PolarHBondContact O-N 3.12Å; K253-Q256 CarbonylContact O-C 3.45Å; K253-Q256 PolarHBondContact O-N 2.77Å; Q256-I259 CarbonylContact O-C 3.49Å; Q256-I259 PolarHBondContact O-N 3.02Å; Q256-I259 VanDerWaalsContact O-N 3.07Å; Q256-T260 PolarHBondContact NE2-OG1 2.8Å; Q256-T260 WeakPolarHBondContact O-CB 3.28Å; Q256-T260 PolarHBondContact O-N 3.06Å; Q256-T260 PolarHBondContact O-OG1 3.43Å |
| 257 | E | 82.3 | Confident | 80.7 | Confident | 103 Ų | 103 | 109.2 Ų | 109.2 | 48% | 0.481 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -58.6 | -49.8 | 176.6 | -73.4 | 167.3 | 166.2 | 0 | 0 | 110.9 | K253 M255 I259 T260 E261 | K253-E257 WeakPolarHBondContact CE-OE1 3.38Å; K253-E257 HydrophobicContact CG-CG 4.43Å; K253-E257 IonicContact NZ-OE1 2.7Å; K253-E257 WeakPolarHBondContact O-CG 3.24Å; K253-E257 PolarHBondContact O-N 3.09Å; M255-E257 PolarHBondContact O-N 2.81Å; E257-I259 PolarHBondContact O-N 2.92Å; E257-T260 CarbonylContact O-C 3.43Å; E257-T260 PolarHBondContact O-N 2.81Å; E257-E261 PolarHBondContact O-N 3.46Å |
| 258 | R | 75.2 | Confident | 80.1 | Confident | 168 Ų | 168 | 106.5 Ų | 106.5 | 63% | 0.634 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -68.7 | -9.1 | 174.4 | -69.6 | -178 | -65.8 | 154.3 | -0.1 | 115.4 | G254 M255 | G254-R258 PolarHBondContact O-NE 2.94Å; G254-R258 PolarHBondContact O-NH2 3.21Å; M255-R258 PolarHBondContact O-N 3.29Å |
| 259 | I | 69.9 | Low | 79.6 | Confident | 120 Ų | 120 | 105 Ų | 105 | 62% | 0.615 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -97.5 | -21.8 | 170.8 | -70.3 | 165.1 | 0 | 0 | 0 | 110.8 | M255 Q256 E257 | M255-I259 WeakPolarHBondContact O-CB 3.25Å; M255-I259 WeakPolarHBondContact O-CD1 3.24Å; M255-I259 VanDerWaalsContact O-CG1 3.22Å; M255-I259 WeakPolarHBondContact O-CG1 3.32Å; M255-I259 PolarHBondContact O-N 2.92Å; Q256-I259 CarbonylContact O-C 3.49Å; Q256-I259 PolarHBondContact O-N 3.02Å; Q256-I259 VanDerWaalsContact O-N 3.07Å; E257-I259 PolarHBondContact O-N 2.92Å |
| 260 | T | 68.6 | Low | 79.1 | Confident | 89 Ų | 89 | 102.4 Ų | 102.4 | 55% | 0.546 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -90.6 | -25 | 179.3 | -49.9 | 0 | 0 | 0 | 0 | 111.5 | Q256 E257 P262 | Q256-T260 PolarHBondContact NE2-OG1 2.8Å; Q256-T260 WeakPolarHBondContact O-CB 3.28Å; Q256-T260 PolarHBondContact O-N 3.06Å; Q256-T260 PolarHBondContact O-OG1 3.43Å; E257-T260 CarbonylContact O-C 3.43Å; E257-T260 PolarHBondContact O-N 2.81Å; T260-P262 WeakPolarHBondContact O-CD 3.31Å; T260-P262 VanDerWaalsContact O-N 3.13Å |
| 261 | E | 67.9 | Low | 78.6 | Confident | 135 Ų | 135 | 101.8 Ų | 101.8 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -50.5 | 113.9 | 160.3 | -77.6 | -174 | 165.1 | 0 | 0 | 109.4 | E257 | E257-E261 PolarHBondContact O-N 3.46Š|
| 262 | P | 69.1 | Low | 78.1 | Confident | 100 Ų | 100 | 102.1 Ų | 102.1 | 65% | 0.649 | 54% | 0.541 | S | S | * | . | trans | -63.6 | 138.2 | -179 | -22.1 | 34.2 | 0 | 0 | 0 | 110.1 | T260 L264 | T260-P262 WeakPolarHBondContact O-CD 3.31Å; T260-P262 VanDerWaalsContact O-N 3.13Å; P262-L264 PolarHBondContact O-N 2.84Å | ||
| 263 | P | 68.1 | Low | 77.8 | Confident | 119 Ų | 119 | 99.8 Ų | 99.8 | 77% | 0.773 | 53% | 0.528 | S | S | * | . | trans | -58 | 127 | 169.5 | 25.8 | -33.2 | 0 | 0 | 0 | 108.5 | Q265 | P263-Q265 PolarHBondContact O-N 2.78Å; P263-Q265 VanDerWaalsContact O-N 3.09Å | ||
| 264 | L | 67.2 | Low | 77.4 | Confident | 128 Ų | 128 | 97.2 Ų | 97.2 | 67% | 0.67 | 52% | 0.521 | S | S | * | . | trans | -34.7 | 115.3 | -177.9 | -92.8 | 165.3 | 0 | 0 | 0 | 111.2 | P262 D268 L272 | P262-L264 PolarHBondContact O-N 2.84Å; L264-D268 HydrophobicContact CD2-CB 4.23Å; L264-L272 HydrophobicContact CD2-CD1 4.18Å | ||
| 265 | Q | 77.5 | Confident | 77.1 | Confident | 111 Ų | 111 | 99.7 Ų | 99.7 | 52% | 0.519 | 53% | 0.529 | S | S | . | . | trans | -65.8 | 151 | -171.3 | -51.8 | -169.4 | 20.8 | 0 | 0 | 109.6 | P263 N267 D268 A269 | P263-Q265 PolarHBondContact O-N 2.78Å; P263-Q265 VanDerWaalsContact O-N 3.09Å; Q265-N267 PolarHBondContact O-N 3.47Å; Q265-N267 VanDerWaalsContact O-N 3.1Å; Q265-D268 VanDerWaalsContact CB-OD2 3.27Å; Q265-D268 WeakPolarHBondContact CB-OD2 3.29Å; Q265-D268 WeakPolarHBondContact CG-OD2 3.4Å; Q265-D268 PolarHBondContact N-OD2 3.06Å; Q265-D268 PolarHBondContact O-N 2.87Å; Q265-A269 PolarHBondContact O-N 2.87Å | ||
| 266 | V | 76.3 | Confident | 76.9 | Confident | 117 Ų | 117 | 96.4 Ų | 96.4 | 71% | 0.709 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.8 | -33.8 | -178.1 | -174.3 | 0 | 0 | 0 | 0 | 111.1 | V270 | V266-V270 WeakPolarHBondContact O-CB 3.02Å; V266-V270 VanDerWaalsContact O-CG2 3.26Å; V266-V270 WeakPolarHBondContact O-CG2 3.49Å; V266-V270 PolarHBondContact O-N 3.38Å |
| 267 | N | 78 | Confident | 76.7 | Confident | 122 Ų | 122 | 96 Ų | 96 | 65% | 0.652 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.2 | -45.4 | 174.9 | -63.2 | -21.9 | 0 | 0 | 0 | 112.5 | Q265 V270 L271 | Q265-N267 PolarHBondContact O-N 3.47Å; Q265-N267 VanDerWaalsContact O-N 3.1Å; N267-V270 PolarHBondContact O-N 2.78Å; N267-L271 WeakPolarHBondContact O-CB 3.38Å; N267-L271 PolarHBondContact O-N 3.48Å |
| 268 | D | 81.7 | Confident | 76.4 | Confident | 67 Ų | 67 | 97.7 Ų | 97.7 | 36% | 0.358 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 178.7 | -51.4 | -34.7 | 0 | 0 | 0 | 110.8 | L264 Q265 V270 L271 L272 | L264-D268 HydrophobicContact CD2-CB 4.23Å; Q265-D268 VanDerWaalsContact CB-OD2 3.27Å; Q265-D268 WeakPolarHBondContact CB-OD2 3.29Å; Q265-D268 WeakPolarHBondContact CG-OD2 3.4Å; Q265-D268 PolarHBondContact N-OD2 3.06Å; Q265-D268 PolarHBondContact O-N 2.87Å; D268-V270 VanDerWaalsContact C-N 3.33Å; D268-V270 PolarHBondContact O-N 3.44Å; D268-L271 PolarHBondContact O-N 2.89Å; D268-L272 VanDerWaalsContact O-CB 3.31Å; D268-L272 WeakPolarHBondContact O-CB 3.12Å; D268-L272 VanDerWaalsContact O-CG 3.27Å; D268-L272 WeakPolarHBondContact O-CG 3.44Å; D268-L272 PolarHBondContact O-N 3.27Å |
| 269 | A | 81.1 | Confident | 76.6 | Confident | 46 Ų | 46 | 97 Ų | 97 | 38% | 0.38 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.3 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q265 N273 | Q265-A269 PolarHBondContact O-N 2.87Å; A269-N273 VanDerWaalsContact O-CB 3.22Å; A269-N273 WeakPolarHBondContact O-CB 3.45Å; A269-N273 PolarHBondContact O-N 3.08Å |
| 270 | V | 82.6 | Confident | 77.2 | Confident | 74 Ų | 74 | 94.2 Ų | 94.2 | 45% | 0.448 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.7 | -42.4 | 173 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | V266 N267 D268 N273 N274 | V266-V270 WeakPolarHBondContact O-CB 3.02Å; V266-V270 VanDerWaalsContact O-CG2 3.26Å; V266-V270 WeakPolarHBondContact O-CG2 3.49Å; V266-V270 PolarHBondContact O-N 3.38Å; N267-V270 PolarHBondContact O-N 2.78Å; D268-V270 VanDerWaalsContact C-N 3.33Å; D268-V270 PolarHBondContact O-N 3.44Å; V270-N273 PolarHBondContact O-N 3.4Å; V270-N274 WeakPolarHBondContact O-CB 3.24Å; V270-N274 PolarHBondContact O-N 3.43Å; V270-N274 PolarHBondContact O-ND2 2.79Å; V270-N274 PolarHBondContact O-OD1 3.32Å |
| 271 | L | 84.5 | Confident | 78 | Confident | 104 Ų | 104 | 94.2 Ų | 94.2 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 176.8 | -175.7 | 66.2 | 0 | 0 | 0 | 111.3 | N267 D268 N273 N274 I275 | N267-L271 WeakPolarHBondContact O-CB 3.38Å; N267-L271 PolarHBondContact O-N 3.48Å; D268-L271 PolarHBondContact O-N 2.89Å; L271-N273 PolarHBondContact O-N 3.25Å; L271-N274 PolarHBondContact O-N 3.08Å; L271-I275 HydrophobicContact CG-CD1 4.09Å; L271-I275 WeakPolarHBondContact O-CG1 3.35Å; L271-I275 PolarHBondContact O-N 2.95Å |
| 272 | L | 80.4 | Confident | 78.7 | Confident | 88 Ų | 88 | 89.9 Ų | 89.9 | 46% | 0.461 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 173.7 | -74 | 169.1 | 0 | 0 | 0 | 111.4 | L264 D268 N274 I275 V276 | L264-L272 HydrophobicContact CD2-CD1 4.18Å; D268-L272 VanDerWaalsContact O-CB 3.31Å; D268-L272 WeakPolarHBondContact O-CB 3.12Å; D268-L272 VanDerWaalsContact O-CG 3.27Å; D268-L272 WeakPolarHBondContact O-CG 3.44Å; D268-L272 PolarHBondContact O-N 3.27Å; L272-N274 VanDerWaalsContact C-N 3.34Å; L272-N274 PolarHBondContact O-N 2.9Å; L272-I275 PolarHBondContact O-N 3.1Å; L272-V276 WeakPolarHBondContact O-CB 3.33Å; L272-V276 WeakPolarHBondContact O-CG2 3.38Å; L272-V276 PolarHBondContact O-N 2.87Å |
| 273 | N | 81.1 | Confident | 79.4 | Confident | 57 Ų | 57 | 90.2 Ų | 90.2 | 31% | 0.305 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.8 | -43.9 | 173.7 | 167.9 | 83.6 | 0 | 0 | 0 | 111.8 | A269 V270 L271 V276 Q277 | A269-N273 VanDerWaalsContact O-CB 3.22Å; A269-N273 WeakPolarHBondContact O-CB 3.45Å; A269-N273 PolarHBondContact O-N 3.08Å; V270-N273 PolarHBondContact O-N 3.4Å; L271-N273 PolarHBondContact O-N 3.25Å; N273-V276 PolarHBondContact O-N 2.59Å; N273-Q277 PolarHBondContact ND2-NE2 2.92Å; N273-Q277 WeakPolarHBondContact O-CB 3.2Å; N273-Q277 VanDerWaalsContact O-CG 3.28Å; N273-Q277 WeakPolarHBondContact O-CG 3.4Å; N273-Q277 PolarHBondContact O-N 3.23Å; N273-Q277 PolarHBondContact OD1-NE2 3.21Å |
| 274 | N | 83 | Confident | 80.3 | Confident | 74 Ų | 74 | 89.5 Ų | 89.5 | 40% | 0.396 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | -179.9 | -66.8 | -13.2 | 0 | 0 | 0 | 111.6 | V270 L271 L272 Q277 N278 | V270-N274 WeakPolarHBondContact O-CB 3.24Å; V270-N274 PolarHBondContact O-N 3.43Å; V270-N274 PolarHBondContact O-ND2 2.79Å; V270-N274 PolarHBondContact O-OD1 3.32Å; L271-N274 PolarHBondContact O-N 3.08Å; L272-N274 VanDerWaalsContact C-N 3.34Å; L272-N274 PolarHBondContact O-N 2.9Å; N274-Q277 PolarHBondContact O-N 3.42Å; N274-N278 WeakPolarHBondContact O-CB 3.4Å; N274-N278 PolarHBondContact O-N 3.48Å; N274-N278 PolarHBondContact O-ND2 2.98Å |
| 275 | I | 81.8 | Confident | 81.2 | Confident | 73 Ų | 73 | 85.8 Ų | 85.8 | 37% | 0.374 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 172.2 | -70.1 | 166.3 | 0 | 0 | 0 | 110.2 | L271 L272 Q277 N278 F279 | L271-I275 HydrophobicContact CG-CD1 4.09Å; L271-I275 WeakPolarHBondContact O-CG1 3.35Å; L271-I275 PolarHBondContact O-N 2.95Å; L272-I275 PolarHBondContact O-N 3.1Å; I275-Q277 VanDerWaalsContact C-N 3.31Å; I275-Q277 PolarHBondContact O-N 3.4Å; I275-N278 PolarHBondContact O-N 3.24Å; I275-F279 HydrophobicContact CG2-CD2 3.79Å; I275-F279 HydrophobicContact CG2-CE2 3.96Å; I275-F279 VanDerWaalsContact O-CD2 3.26Å; I275-F279 WeakPolarHBondContact O-CD2 3.49Å; I275-F279 PolarHBondContact O-N 2.86Å |
| 276 | V | 76.9 | Confident | 81.7 | Confident | 18 Ų | 18 | 85.7 Ų | 85.7 | 11% | 0.109 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -67.3 | -28.8 | -178.1 | 166.6 | 0 | 0 | 0 | 0 | 112.7 | L272 N273 G280 M281 L282 V285 | L272-V276 WeakPolarHBondContact O-CB 3.33Å; L272-V276 WeakPolarHBondContact O-CG2 3.38Å; L272-V276 PolarHBondContact O-N 2.87Å; N273-V276 PolarHBondContact O-N 2.59Å; V276-G280 CarbonylContact O-C 3.57Å; V276-G280 PolarHBondContact O-N 3.15Å; V276-M281 HydrophobicContact CG1-CB 4.12Å; V276-M281 PolarHBondContact O-N 2.9Å; V276-L282 HydrophobicContact CG1-CB 4Å; V276-L282 HydrophobicContact CG1-CD1 3.82Å; V276-L282 PolarHBondContact O-N 3.48Å; V276-V285 HydrophobicContact CG1-CB 4.13Å; V276-V285 HydrophobicContact CG1-CG2 3.8Å; V276-V285 HydrophobicContact CG2-CG2 4.06Å |
| 277 | Q | 77.8 | Confident | 82.5 | Confident | 102 Ų | 102 | 87.5 Ų | 87.5 | 48% | 0.477 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72.1 | -46.2 | 169.5 | -74.5 | -176.5 | 21 | 0 | 0 | 111.5 | N273 N274 I275 F279 G280 L282 | N273-Q277 PolarHBondContact ND2-NE2 2.92Å; N273-Q277 WeakPolarHBondContact O-CB 3.2Å; N273-Q277 VanDerWaalsContact O-CG 3.28Å; N273-Q277 WeakPolarHBondContact O-CG 3.4Å; N273-Q277 PolarHBondContact O-N 3.23Å; N273-Q277 PolarHBondContact OD1-NE2 3.21Å; N274-Q277 PolarHBondContact O-N 3.42Å; I275-Q277 VanDerWaalsContact C-N 3.31Å; I275-Q277 PolarHBondContact O-N 3.4Å; Q277-F279 VanDerWaalsContact C-N 3.27Å; Q277-F279 PolarHBondContact O-N 2.88Å; Q277-G280 PolarHBondContact O-N 3.38Å; Q277-L282 HydrophobicContact CG-CD1 4.12Å; Q277-L282 HydrophobicContact CG-CD2 4.22Å |
| 278 | N | 75.6 | Confident | 83.1 | Confident | 140 Ų | 140 | 85.8 Ų | 85.8 | 75% | 0.749 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -60.8 | -34.2 | 177.9 | -70.5 | -17.9 | 0 | 0 | 0 | 112.9 | N274 I275 | N274-N278 WeakPolarHBondContact O-CB 3.4Å; N274-N278 PolarHBondContact O-N 3.48Å; N274-N278 PolarHBondContact O-ND2 2.98Å; I275-N278 PolarHBondContact O-N 3.24Å |
| 279 | F | 79.1 | Confident | 83.6 | Confident | 154 Ų | 154 | 87.8 Ų | 87.8 | 68% | 0.675 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 2.7 | 174.3 | -71.9 | -68.3 | 0 | 0 | 0 | 114.4 | I275 Q277 M281 | I275-F279 HydrophobicContact CG2-CD2 3.79Å; I275-F279 HydrophobicContact CG2-CE2 3.96Å; I275-F279 VanDerWaalsContact O-CD2 3.26Å; I275-F279 WeakPolarHBondContact O-CD2 3.49Å; I275-F279 PolarHBondContact O-N 2.86Å; Q277-F279 VanDerWaalsContact C-N 3.27Å; Q277-F279 PolarHBondContact O-N 2.88Å; F279-M281 HydrophobicContact CB-CG 4.08Å; F279-M281 HydrophobicContact CB-SD 3.93Å; F279-M281 PolarHBondContact O-N 3.47Å |
| 280 | G | 82.1 | Confident | 84.1 | Confident | 61 Ų | 61 | 88.6 Ų | 88.6 | 63% | 0.629 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 6 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | V276 Q277 L282 | V276-G280 CarbonylContact O-C 3.57Å; V276-G280 PolarHBondContact O-N 3.15Å; Q277-G280 PolarHBondContact O-N 3.38Å; G280-L282 PolarHBondContact O-N 2.87Å |
| 281 | M | 85.6 | Confident | 84.7 | Confident | 88 Ų | 88 | 88.7 Ų | 88.7 | 43% | 0.433 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -0.5 | -174.5 | -70.8 | 171.1 | 59.6 | 0 | 0 | 113.9 | V276 F279 D283 L284 V285 | V276-M281 HydrophobicContact CG1-CB 4.12Å; V276-M281 PolarHBondContact O-N 2.9Å; F279-M281 HydrophobicContact CB-CG 4.08Å; F279-M281 HydrophobicContact CB-SD 3.93Å; F279-M281 PolarHBondContact O-N 3.47Å; M281-D283 VanDerWaalsContact C-N 3.3Å; M281-D283 PolarHBondContact O-N 2.94Å; M281-L284 WeakPolarHBondContact O-CB 3.36Å; M281-L284 PolarHBondContact O-N 3.07Å; M281-V285 PolarHBondContact O-N 2.8Å |
| 282 | L | 82.9 | Confident | 85.2 | Confident | 45 Ų | 45 | 88.7 Ų | 88.7 | 24% | 0.236 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -54.3 | -41.3 | -170.5 | -166 | 74.1 | 0 | 0 | 0 | 113.6 | V276 Q277 G280 V285 K286 | V276-L282 HydrophobicContact CG1-CB 4Å; V276-L282 HydrophobicContact CG1-CD1 3.82Å; V276-L282 PolarHBondContact O-N 3.48Å; Q277-L282 HydrophobicContact CG-CD1 4.12Å; Q277-L282 HydrophobicContact CG-CD2 4.22Å; G280-L282 PolarHBondContact O-N 2.87Å; L282-V285 PolarHBondContact O-N 3.4Å; L282-K286 WeakPolarHBondContact O-CB 3.24Å; L282-K286 VanDerWaalsContact O-CG 3.24Å; L282-K286 WeakPolarHBondContact O-CG 3.47Å; L282-K286 PolarHBondContact O-N 2.86Å |
| 283 | D | 83.5 | Confident | 85.8 | Confident | 106 Ų | 106 | 90.1 Ų | 90.1 | 57% | 0.567 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -78.9 | -24.9 | -178.8 | -62.8 | -35.4 | 0 | 0 | 0 | 113.1 | M281 K286 K287 | M281-D283 VanDerWaalsContact C-N 3.3Å; M281-D283 PolarHBondContact O-N 2.94Å; D283-K286 WeakPolarHBondContact OD1-CD 3.41Å; D283-K286 IonicContact OD1-NZ 2.67Å; D283-K286 PolarHBondContact OD1-NZ 3.5Å; D283-K287 VanDerWaalsContact O-CB 3.23Å; D283-K287 WeakPolarHBondContact O-CB 3.43Å; D283-K287 PolarHBondContact O-N 3.08Å |
| 284 | L | 87.3 | Confident | 86.5 | Confident | 105 Ų | 105 | 89.9 Ų | 89.9 | 55% | 0.55 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69 | -46.2 | 168.1 | -179.7 | 61.3 | 0 | 0 | 0 | 110.7 | M281 K287 V288 | M281-L284 WeakPolarHBondContact O-CB 3.36Å; M281-L284 PolarHBondContact O-N 3.07Å; L284-K287 WeakPolarHBondContact O-CB 3.48Å; L284-K287 PolarHBondContact O-N 2.89Å; L284-V288 HydrophobicContact CD1-CG2 4.44Å; L284-V288 WeakPolarHBondContact O-CG2 3.39Å; L284-V288 PolarHBondContact O-N 3.46Å |
| 285 | V | 86.8 | Confident | 87.1 | Confident | 49 Ų | 49 | 90.6 Ų | 90.6 | 30% | 0.297 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -44.8 | 177.4 | 175.1 | 0 | 0 | 0 | 0 | 111 | V276 M281 L282 K287 V288 L289 | V276-V285 HydrophobicContact CG1-CB 4.13Å; V276-V285 HydrophobicContact CG1-CG2 3.8Å; V276-V285 HydrophobicContact CG2-CG2 4.06Å; M281-V285 PolarHBondContact O-N 2.8Å; L282-V285 PolarHBondContact O-N 3.4Å; V285-K287 VanDerWaalsContact C-N 3.32Å; V285-K287 PolarHBondContact O-N 3.04Å; V285-V288 PolarHBondContact O-N 2.97Å; V285-L289 HydrophobicContact CG1-CD1 3.83Å; V285-L289 HydrophobicContact CG1-CG 4.3Å; V285-L289 WeakPolarHBondContact O-CB 3.48Å; V285-L289 WeakPolarHBondContact O-CG 3.45Å; V285-L289 PolarHBondContact O-N 3.24Å |
| 286 | K | 87.6 | Confident | 87.6 | Confident | 109 Ų | 109 | 92.6 Ų | 92.6 | 47% | 0.474 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -55.6 | -44.7 | 171 | -74.8 | 170.5 | -167.9 | 154.5 | 0 | 111.8 | L282 D283 L289 A290 | L282-K286 WeakPolarHBondContact O-CB 3.24Å; L282-K286 VanDerWaalsContact O-CG 3.24Å; L282-K286 WeakPolarHBondContact O-CG 3.47Å; L282-K286 PolarHBondContact O-N 2.86Å; D283-K286 WeakPolarHBondContact OD1-CD 3.41Å; D283-K286 IonicContact OD1-NZ 2.67Å; D283-K286 PolarHBondContact OD1-NZ 3.5Å; K286-L289 PolarHBondContact O-N 3.36Å; K286-A290 WeakPolarHBondContact O-CB 3.23Å; K286-A290 PolarHBondContact O-N 3.43Å |
| 287 | K | 92.7 | Very high | 88.4 | Confident | 156 Ų | 156 | 94.5 Ų | 94.5 | 68% | 0.678 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.8 | -43.1 | 179.9 | -176.3 | 179.2 | 179 | -177.2 | 0 | 112 | D283 L284 V285 S291 | D283-K287 VanDerWaalsContact O-CB 3.23Å; D283-K287 WeakPolarHBondContact O-CB 3.43Å; D283-K287 PolarHBondContact O-N 3.08Å; L284-K287 WeakPolarHBondContact O-CB 3.48Å; L284-K287 PolarHBondContact O-N 2.89Å; V285-K287 VanDerWaalsContact C-N 3.32Å; V285-K287 PolarHBondContact O-N 3.04Å; K287-S291 VanDerWaalsContact O-CB 3.29Å; K287-S291 WeakPolarHBondContact O-CB 3.16Å; K287-S291 PolarHBondContact O-N 3.31Å |
| 288 | V | 92.1 | Very high | 89.3 | Confident | 85 Ų | 85 | 97.9 Ų | 97.9 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -47.9 | 175.8 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L284 V285 A290 S291 H292 | L284-V288 HydrophobicContact CD1-CG2 4.44Å; L284-V288 WeakPolarHBondContact O-CG2 3.39Å; L284-V288 PolarHBondContact O-N 3.46Å; V285-V288 PolarHBondContact O-N 2.97Å; V288-A290 PolarHBondContact O-N 2.88Å; V288-S291 PolarHBondContact O-N 3.26Å; V288-H292 WeakPolarHBondContact O-CB 3.4Å; V288-H292 PolarHBondContact O-N 3.28Å |
| 289 | L | 90.6 | Very high | 90.2 | Very high | 110 Ų | 110 | 96.5 Ų | 96.5 | 58% | 0.576 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.5 | -39.8 | 177.7 | -70.7 | 174 | 0 | 0 | 0 | 112.5 | V285 K286 K293 | V285-L289 HydrophobicContact CG1-CD1 3.83Å; V285-L289 HydrophobicContact CG1-CG 4.3Å; V285-L289 WeakPolarHBondContact O-CB 3.48Å; V285-L289 WeakPolarHBondContact O-CG 3.45Å; V285-L289 PolarHBondContact O-N 3.24Å; K286-L289 PolarHBondContact O-N 3.36Å; L289-K293 WeakPolarHBondContact O-CB 3.49Å; L289-K293 PolarHBondContact O-N 3.03Å |
| 290 | A | 93.1 | Very high | 90.9 | Very high | 62 Ų | 62 | 98.2 Ų | 98.2 | 51% | 0.512 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K286 V288 S294 | K286-A290 WeakPolarHBondContact O-CB 3.23Å; K286-A290 PolarHBondContact O-N 3.43Å; V288-A290 PolarHBondContact O-N 2.88Å; A290-S294 WeakPolarHBondContact O-CB 3.45Å; A290-S294 PolarHBondContact O-N 3.16Å |
| 291 | S | 95.3 | Very high | 91.5 | Very high | 76 Ų | 76 | 100.2 Ų | 100.2 | 53% | 0.531 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -49.1 | 174.6 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | K287 V288 K293 S294 Q295 | K287-S291 VanDerWaalsContact O-CB 3.29Å; K287-S291 WeakPolarHBondContact O-CB 3.16Å; K287-S291 PolarHBondContact O-N 3.31Å; V288-S291 PolarHBondContact O-N 3.26Å; S291-K293 PolarHBondContact O-N 3.46Å; S291-S294 PolarHBondContact O-N 2.9Å; S291-Q295 WeakPolarHBondContact O-CB 3.26Å; S291-Q295 PolarHBondContact O-N 3.02Å |
| 292 | H | 94.9 | Very high | 92 | Very high | 104 Ų | 104 | 102 Ų | 102 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -42.2 | 177.4 | -174.7 | -103.6 | 0 | 0 | 0 | 111.5 | V288 Q295 M296 | V288-H292 WeakPolarHBondContact O-CB 3.4Å; V288-H292 PolarHBondContact O-N 3.28Å; H292-Q295 WeakPolarHBondContact O-CB 3.44Å; H292-Q295 PolarHBondContact O-N 3.33Å; H292-M296 PolarHBondContact CE1-SD 3.05Å; H292-M296 WeakPolarHBondContact O-CG 3.23Å; H292-M296 PolarHBondContact O-N 3.35Å |
| 293 | K | 93.3 | Very high | 92.6 | Very high | 119 Ų | 119 | 107.8 Ų | 107.8 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 172.5 | 175.1 | 159 | 174.6 | 46.4 | 0 | 111.8 | L289 S291 Q295 M296 D297 | L289-K293 WeakPolarHBondContact O-CB 3.49Å; L289-K293 PolarHBondContact O-N 3.03Å; S291-K293 PolarHBondContact O-N 3.46Å; K293-Q295 VanDerWaalsContact C-N 3.27Å; K293-Q295 PolarHBondContact O-N 3.02Å; K293-M296 PolarHBondContact O-N 3.23Å; K293-D297 WeakPolarHBondContact CE-OD2 3.5Å; K293-D297 VanDerWaalsContact CG-OD2 3.27Å; K293-D297 WeakPolarHBondContact CG-OD2 3.27Å; K293-D297 VanDerWaalsContact NZ-CG 3.28Å; K293-D297 IonicContact NZ-OD1 3.04Å; K293-D297 PolarHBondContact NZ-OD1 3.22Å; K293-D297 IonicContact NZ-OD2 2.69Å; K293-D297 PolarHBondContact NZ-OD2 2.7Å; K293-D297 WeakPolarHBondContact O-CB 3.36Å; K293-D297 VanDerWaalsContact O-CG 3.28Å; K293-D297 PolarHBondContact O-N 2.9Å |
| 294 | S | 95.3 | Very high | 93.2 | Very high | 52 Ų | 52 | 106.3 Ų | 106.3 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 176.7 | -170.4 | 0 | 0 | 0 | 0 | 112.1 | A290 S291 R298 | A290-S294 WeakPolarHBondContact O-CB 3.45Å; A290-S294 PolarHBondContact O-N 3.16Å; S291-S294 PolarHBondContact O-N 2.9Å; S294-R298 WeakPolarHBondContact O-CB 3.4Å; S294-R298 WeakPolarHBondContact O-CG 3.45Å; S294-R298 PolarHBondContact O-N 3.4Å |
| 295 | Q | 95.8 | Very high | 93.7 | Very high | 89 Ų | 89 | 109.3 Ų | 109.3 | 42% | 0.416 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.8 | -46.4 | 174.8 | -178.4 | 175.3 | -0.4 | 0 | 0 | 112 | S291 H292 K293 R298 Y299 | S291-Q295 WeakPolarHBondContact O-CB 3.26Å; S291-Q295 PolarHBondContact O-N 3.02Å; H292-Q295 WeakPolarHBondContact O-CB 3.44Å; H292-Q295 PolarHBondContact O-N 3.33Å; K293-Q295 VanDerWaalsContact C-N 3.27Å; K293-Q295 PolarHBondContact O-N 3.02Å; Q295-R298 WeakPolarHBondContact O-CB 3.38Å; Q295-R298 PolarHBondContact O-N 3.26Å; Q295-Y299 HydrophobicContact CG-CD2 4.08Å; Q295-Y299 HydrophobicContact CG-CE2 3.5Å; Q295-Y299 VanDerWaalsContact CG-CE2 3.5Å; Q295-Y299 PolarHBondContact NE2-OH 3.11Å; Q295-Y299 VanDerWaalsContact O-CD2 3.25Å; Q295-Y299 WeakPolarHBondContact O-CD2 3.34Å; Q295-Y299 PolarHBondContact O-N 3.27Å |
| 296 | M | 91.8 | Very high | 94.2 | Very high | 114 Ų | 114 | 109.9 Ų | 109.9 | 56% | 0.562 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.9 | -43.5 | 174.2 | -72.5 | -167.9 | 77.3 | 0 | 0 | 112.6 | H292 K293 R298 Y299 R300 | H292-M296 PolarHBondContact CE1-SD 3.05Å; H292-M296 WeakPolarHBondContact O-CG 3.23Å; H292-M296 PolarHBondContact O-N 3.35Å; K293-M296 PolarHBondContact O-N 3.23Å; M296-R298 VanDerWaalsContact C-N 3.33Å; M296-R298 PolarHBondContact O-N 2.86Å; M296-Y299 PolarHBondContact O-N 2.91Å; M296-R300 WeakPolarHBondContact O-CB 3.4Å; M296-R300 PolarHBondContact O-N 2.86Å |
| 297 | D | 94 | Very high | 94.5 | Very high | 58 Ų | 58 | 110.2 Ų | 110.2 | 31% | 0.31 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 178 | -69.7 | -36 | 0 | 0 | 0 | 110.7 | K293 R300 E301 | K293-D297 WeakPolarHBondContact CE-OD2 3.5Å; K293-D297 VanDerWaalsContact CG-OD2 3.27Å; K293-D297 WeakPolarHBondContact CG-OD2 3.27Å; K293-D297 VanDerWaalsContact NZ-CG 3.28Å; K293-D297 IonicContact NZ-OD1 3.04Å; K293-D297 PolarHBondContact NZ-OD1 3.22Å; K293-D297 IonicContact NZ-OD2 2.69Å; K293-D297 PolarHBondContact NZ-OD2 2.7Å; K293-D297 WeakPolarHBondContact O-CB 3.36Å; K293-D297 VanDerWaalsContact O-CG 3.28Å; K293-D297 PolarHBondContact O-N 2.9Å; D297-R300 PolarHBondContact O-N 3.34Å; D297-E301 PolarHBondContact O-N 3.45Å |
| 298 | R | 95.6 | Very high | 94.7 | Very high | 174 Ų | 174 | 105.9 Ų | 105.9 | 66% | 0.657 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -46.8 | 172.2 | -75.6 | 170.5 | -169.5 | -161.1 | 3.1 | 112.8 | S294 Q295 M296 R300 E301 Q302 | S294-R298 WeakPolarHBondContact O-CB 3.4Å; S294-R298 WeakPolarHBondContact O-CG 3.45Å; S294-R298 PolarHBondContact O-N 3.4Å; Q295-R298 WeakPolarHBondContact O-CB 3.38Å; Q295-R298 PolarHBondContact O-N 3.26Å; M296-R298 VanDerWaalsContact C-N 3.33Å; M296-R298 PolarHBondContact O-N 2.86Å; R298-R300 VanDerWaalsContact C-N 3.32Å; R298-R300 PolarHBondContact O-N 3.37Å; R298-E301 PolarHBondContact O-N 3.06Å; R298-Q302 WeakPolarHBondContact O-CB 3.45Å; R298-Q302 PolarHBondContact O-N 3.49Å |
| 299 | Y | 94.3 | Very high | 95 | Very high | 111 Ų | 111 | 103.9 Ų | 103.9 | 44% | 0.435 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 175.9 | -69.2 | -51.1 | 0 | 0 | 0 | 111 | Q295 M296 E301 Q302 Y303 | Q295-Y299 HydrophobicContact CG-CD2 4.08Å; Q295-Y299 HydrophobicContact CG-CE2 3.5Å; Q295-Y299 VanDerWaalsContact CG-CE2 3.5Å; Q295-Y299 PolarHBondContact NE2-OH 3.11Å; Q295-Y299 VanDerWaalsContact O-CD2 3.25Å; Q295-Y299 WeakPolarHBondContact O-CD2 3.34Å; Q295-Y299 PolarHBondContact O-N 3.27Å; M296-Y299 PolarHBondContact O-N 2.91Å; Y299-E301 VanDerWaalsContact C-N 3.34Å; Y299-E301 PolarHBondContact O-N 3.02Å; Y299-Q302 WeakPolarHBondContact O-CB 3.5Å; Y299-Q302 PolarHBondContact O-N 3.06Å; Y299-Q302 VanDerWaalsContact O-N 3.1Å; Y299-Y303 WeakPolarHBondContact O-CD2 3.46Å; Y299-Y303 PolarHBondContact O-N 3.43Å |
| 300 | R | 94.7 | Very high | 95.2 | Very high | 190 Ų | 190 | 103.1 Ų | 103.1 | 72% | 0.717 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59.9 | -41.4 | 176.3 | -173.1 | 177.3 | -179.9 | -123.3 | -2.3 | 112.3 | M296 D297 R298 S304 | M296-R300 WeakPolarHBondContact O-CB 3.4Å; M296-R300 PolarHBondContact O-N 2.86Å; D297-R300 PolarHBondContact O-N 3.34Å; R298-R300 VanDerWaalsContact C-N 3.32Å; R298-R300 PolarHBondContact O-N 3.37Å; R300-S304 WeakPolarHBondContact O-CB 3.24Å; R300-S304 PolarHBondContact O-N 3.43Å |
| 301 | E | 95.1 | Very high | 95.3 | Very high | 102 Ų | 102 | 105.8 Ų | 105.8 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 171.1 | -79.9 | -169.3 | -136.9 | 0 | 0 | 112.6 | D297 R298 Y299 S304 R305 | D297-E301 PolarHBondContact O-N 3.45Å; R298-E301 PolarHBondContact O-N 3.06Å; Y299-E301 VanDerWaalsContact C-N 3.34Å; Y299-E301 PolarHBondContact O-N 3.02Å; E301-S304 WeakPolarHBondContact O-CB 3.3Å; E301-S304 PolarHBondContact O-N 3.1Å; E301-R305 VanDerWaalsContact O-CG 3.24Å; E301-R305 WeakPolarHBondContact O-CG 3.42Å; E301-R305 PolarHBondContact O-N 3.37Å; E301-R305 IonicContact OE2-CZ 2.74Å; E301-R305 IonicContact OE2-NE 3.2Å; E301-R305 IonicContact OE2-NH2 2.94Å; E301-R305 PolarHBondContact OE2-NH2 3.41Å |
| 302 | Q | 96.3 | Very high | 95.3 | Very high | 125 Ų | 125 | 108.3 Ų | 108.3 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.7 | -45.1 | 178.7 | -176.3 | 178.1 | -7.4 | 0 | 0 | 111.6 | R298 Y299 R305 S306 | R298-Q302 WeakPolarHBondContact O-CB 3.45Å; R298-Q302 PolarHBondContact O-N 3.49Å; Y299-Q302 WeakPolarHBondContact O-CB 3.5Å; Y299-Q302 PolarHBondContact O-N 3.06Å; Y299-Q302 VanDerWaalsContact O-N 3.1Å; Q302-R305 PolarHBondContact O-N 3.46Å; Q302-S306 WeakPolarHBondContact O-CB 3.34Å; Q302-S306 PolarHBondContact O-N 3.33Å |
| 303 | Y | 95.6 | Very high | 95.4 | Very high | 168 Ų | 168 | 108.8 Ų | 108.8 | 66% | 0.659 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.1 | -43.9 | 173.6 | -67.4 | -57.5 | 0 | 0 | 0 | 111.8 | Y299 R305 S306 L307 | Y299-Y303 WeakPolarHBondContact O-CD2 3.46Å; Y299-Y303 PolarHBondContact O-N 3.43Å; Y303-R305 PolarHBondContact O-N 3.21Å; Y303-S306 PolarHBondContact O-N 3.07Å; Y303-L307 WeakPolarHBondContact O-CB 3.42Å; Y303-L307 PolarHBondContact O-N 2.75Å |
| 304 | S | 95.8 | Very high | 95.4 | Very high | 74 Ų | 74 | 106 Ų | 106 | 52% | 0.517 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59 | -46.5 | 176.9 | -173.8 | 0 | 0 | 0 | 0 | 112.3 | R300 E301 S306 L307 V308 | R300-S304 WeakPolarHBondContact O-CB 3.24Å; R300-S304 PolarHBondContact O-N 3.43Å; E301-S304 WeakPolarHBondContact O-CB 3.3Å; E301-S304 PolarHBondContact O-N 3.1Å; S304-S306 PolarHBondContact O-N 3.37Å; S304-L307 PolarHBondContact O-N 2.74Å; S304-V308 WeakPolarHBondContact O-CG2 3.39Å; S304-V308 PolarHBondContact O-N 2.86Å; S304-V308 VanDerWaalsContact O-N 3.15Å |
| 305 | R | 97.3 | Very high | 95.3 | Very high | 169 Ų | 169 | 107.6 Ų | 107.6 | 64% | 0.638 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -40.1 | 176.1 | -66.6 | 168.8 | -164.9 | -148.3 | 8.4 | 112 | E301 Q302 Y303 A309 | E301-R305 VanDerWaalsContact O-CG 3.24Å; E301-R305 WeakPolarHBondContact O-CG 3.42Å; E301-R305 PolarHBondContact O-N 3.37Å; E301-R305 IonicContact OE2-CZ 2.74Å; E301-R305 IonicContact OE2-NE 3.2Å; E301-R305 IonicContact OE2-NH2 2.94Å; E301-R305 PolarHBondContact OE2-NH2 3.41Å; Q302-R305 PolarHBondContact O-N 3.46Å; Y303-R305 PolarHBondContact O-N 3.21Å; R305-A309 WeakPolarHBondContact O-CB 3.46Å; R305-A309 PolarHBondContact O-N 2.81Å; R305-A309 VanDerWaalsContact O-N 3.07Å |
| 306 | S | 96.8 | Very high | 95.3 | Very high | 61 Ų | 61 | 106.2 Ų | 106.2 | 43% | 0.427 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 177.3 | -165.4 | 0 | 0 | 0 | 0 | 112.1 | Q302 Y303 S304 A309 L310 | Q302-S306 WeakPolarHBondContact O-CB 3.34Å; Q302-S306 PolarHBondContact O-N 3.33Å; Y303-S306 PolarHBondContact O-N 3.07Å; S304-S306 PolarHBondContact O-N 3.37Å; S306-A309 PolarHBondContact O-N 3.24Å; S306-L310 WeakPolarHBondContact O-CG 3.18Å; S306-L310 PolarHBondContact O-N 2.98Å |
| 307 | L | 95.6 | Very high | 95.3 | Very high | 115 Ų | 115 | 106.7 Ų | 106.7 | 60% | 0.602 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.2 | -47.3 | 179 | -157.7 | 168 | 0 | 0 | 0 | 110.9 | Y303 S304 A309 L310 E311 | Y303-L307 WeakPolarHBondContact O-CB 3.42Å; Y303-L307 PolarHBondContact O-N 2.75Å; S304-L307 PolarHBondContact O-N 2.74Å; L307-A309 VanDerWaalsContact C-N 3.31Å; L307-A309 PolarHBondContact O-N 2.94Å; L307-L310 PolarHBondContact O-N 3.2Å; L307-E311 WeakPolarHBondContact O-CB 3.4Å; L307-E311 PolarHBondContact O-N 2.99Å |
| 308 | V | 96.9 | Very high | 95.3 | Very high | 65 Ų | 65 | 109 Ų | 109 | 39% | 0.394 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -37.4 | 175.1 | 173.6 | 0 | 0 | 0 | 0 | 112 | S304 Q312 | S304-V308 WeakPolarHBondContact O-CG2 3.39Å; S304-V308 PolarHBondContact O-N 2.86Å; S304-V308 VanDerWaalsContact O-N 3.15Å; V308-Q312 WeakPolarHBondContact O-CB 3.31Å; V308-Q312 VanDerWaalsContact O-CG 3.27Å; V308-Q312 WeakPolarHBondContact O-CG 3.46Å; V308-Q312 PolarHBondContact O-N 3.02Å |
| 309 | A | 96.9 | Very high | 95.2 | Very high | 43 Ų | 43 | 106.2 Ų | 106.2 | 36% | 0.355 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R305 S306 L307 Q313 | R305-A309 WeakPolarHBondContact O-CB 3.46Å; R305-A309 PolarHBondContact O-N 2.81Å; R305-A309 VanDerWaalsContact O-N 3.07Å; S306-A309 PolarHBondContact O-N 3.24Å; L307-A309 VanDerWaalsContact C-N 3.31Å; L307-A309 PolarHBondContact O-N 2.94Å; A309-Q313 WeakPolarHBondContact O-CG 3.24Å; A309-Q313 PolarHBondContact O-N 3.17Å |
| 310 | L | 95.9 | Very high | 95.1 | Very high | 95 Ų | 95 | 106.8 Ų | 106.8 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 174.6 | -71.8 | 168 | 0 | 0 | 0 | 111.8 | S306 L307 Q312 Q313 C314 | S306-L310 WeakPolarHBondContact O-CG 3.18Å; S306-L310 PolarHBondContact O-N 2.98Å; L307-L310 PolarHBondContact O-N 3.2Å; L310-Q312 PolarHBondContact O-N 2.61Å; L310-Q313 WeakPolarHBondContact O-CB 3.47Å; L310-Q313 PolarHBondContact O-N 2.8Å; L310-Q313 VanDerWaalsContact O-N 3.16Å; L310-C314 PolarHBondContact O-N 3.44Å; L310-C314 PolarHBondContact O-SG 3.19Å; L310-C314 VanDerWaalsContact O-SG 3.4Å |
| 311 | E | 93.8 | Very high | 95 | Very high | 118 Ų | 118 | 100.3 Ų | 100.3 | 55% | 0.551 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.4 | -46.1 | 174.5 | -175 | 172.9 | -147 | 0 | 0 | 111.4 | L307 Q313 C314 D315 | L307-E311 WeakPolarHBondContact O-CB 3.4Å; L307-E311 PolarHBondContact O-N 2.99Å; E311-Q313 VanDerWaalsContact C-N 3.35Å; E311-Q313 PolarHBondContact O-N 3.19Å; E311-C314 PolarHBondContact O-N 3.16Å; E311-D315 PolarHBondContact O-N 2.89Å |
| 312 | Q | 96.8 | Very high | 94.9 | Very high | 129 Ų | 129 | 102 Ų | 102 | 60% | 0.603 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.5 | -38.2 | 174 | -72.8 | 173.8 | 12.2 | 0 | 0 | 113 | V308 L310 E316 | V308-Q312 WeakPolarHBondContact O-CB 3.31Å; V308-Q312 VanDerWaalsContact O-CG 3.27Å; V308-Q312 WeakPolarHBondContact O-CG 3.46Å; V308-Q312 PolarHBondContact O-N 3.02Å; L310-Q312 PolarHBondContact O-N 2.61Å; Q312-E316 WeakPolarHBondContact O-CB 3.36Å; Q312-E316 PolarHBondContact O-N 3.02Å |
| 313 | Q | 95.4 | Very high | 94.7 | Very high | 114 Ų | 114 | 100.2 Ų | 100.2 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.8 | -47.7 | 173.3 | -74.7 | 179.6 | 7.1 | 0 | 0 | 111.2 | A309 L310 E311 D315 E316 H317 | A309-Q313 WeakPolarHBondContact O-CG 3.24Å; A309-Q313 PolarHBondContact O-N 3.17Å; L310-Q313 WeakPolarHBondContact O-CB 3.47Å; L310-Q313 PolarHBondContact O-N 2.8Å; L310-Q313 VanDerWaalsContact O-N 3.16Å; E311-Q313 VanDerWaalsContact C-N 3.35Å; E311-Q313 PolarHBondContact O-N 3.19Å; Q313-D315 VanDerWaalsContact C-N 3.31Å; Q313-D315 PolarHBondContact O-N 2.98Å; Q313-E316 PolarHBondContact O-N 3.43Å; Q313-H317 WeakPolarHBondContact O-CB 3.29Å; Q313-H317 PolarHBondContact O-CD2 3.44Å; Q313-H317 VanDerWaalsContact O-CD2 3.23Å; Q313-H317 PolarHBondContact O-N 3.04Å |
| 314 | C | 93.8 | Very high | 94.5 | Very high | 59 Ų | 59 | 97.9 Ų | 97.9 | 40% | 0.399 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.3 | -42.3 | 177.3 | -70.9 | 0 | 0 | 0 | 0 | 112.4 | L310 E311 R318 | L310-C314 PolarHBondContact O-N 3.44Å; L310-C314 PolarHBondContact O-SG 3.19Å; L310-C314 VanDerWaalsContact O-SG 3.4Å; E311-C314 PolarHBondContact O-N 3.16Å; C314-R318 VanDerWaalsContact O-CB 3.23Å; C314-R318 WeakPolarHBondContact O-CB 3.33Å; C314-R318 PolarHBondContact O-N 3Å |
| 315 | D | 94.3 | Very high | 94.3 | Very high | 87 Ų | 87 | 99.6 Ų | 99.6 | 47% | 0.465 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.4 | -36.9 | 178 | -96.5 | -15.1 | 0 | 0 | 0 | 113.6 | E311 Q313 R318 K319 | E311-D315 PolarHBondContact O-N 2.89Å; Q313-D315 VanDerWaalsContact C-N 3.31Å; Q313-D315 PolarHBondContact O-N 2.98Å; D315-R318 PolarHBondContact O-N 2.84Å; D315-R318 IonicContact OD1-CZ 3.82Å; D315-R318 IonicContact OD1-NH1 3.9Å; D315-R318 PolarHBondContact OD1-NH1 3.47Å; D315-K319 VanDerWaalsContact O-CB 3.24Å; D315-K319 WeakPolarHBondContact O-CB 3.38Å; D315-K319 PolarHBondContact O-N 3.32Å |
| 316 | E | 94.8 | Very high | 94 | Very high | 60 Ų | 60 | 94.5 Ų | 94.5 | 28% | 0.28 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -70.3 | -34.7 | 174.8 | 178.3 | 65 | -170.7 | 0 | 0 | 111.7 | Q312 Q313 K319 R320 | Q312-E316 WeakPolarHBondContact O-CB 3.36Å; Q312-E316 PolarHBondContact O-N 3.02Å; Q313-E316 PolarHBondContact O-N 3.43Å; E316-K319 PolarHBondContact O-N 3.02Å; E316-K319 IonicContact OE1-NZ 3.79Å; E316-K319 WeakPolarHBondContact OE2-CD 3.43Å; E316-K319 IonicContact OE2-NZ 2.68Å; E316-K319 PolarHBondContact OE2-NZ 3.44Å; E316-R320 VanDerWaalsContact CG-CZ 3.43Å; E316-R320 VanDerWaalsContact O-CG 3.3Å; E316-R320 WeakPolarHBondContact O-CG 3.32Å; E316-R320 PolarHBondContact O-N 2.88Å; E316-R320 IonicContact OE1-CZ 2.61Å; E316-R320 IonicContact OE1-NE 2.7Å; E316-R320 PolarHBondContact OE1-NE 2.86Å; E316-R320 IonicContact OE1-NH2 3.54Å; E316-R320 PolarHBondContact OE1-NH2 3.38Å |
| 317 | H | 92.2 | Very high | 93.9 | Very high | 124 Ų | 124 | 97 Ų | 97 | 57% | 0.574 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.2 | -47.6 | 168.4 | -87.1 | -91.3 | 0 | 0 | 0 | 111.6 | Q313 K319 R320 A321 | Q313-H317 WeakPolarHBondContact O-CB 3.29Å; Q313-H317 PolarHBondContact O-CD2 3.44Å; Q313-H317 VanDerWaalsContact O-CD2 3.23Å; Q313-H317 PolarHBondContact O-N 3.04Å; H317-K319 VanDerWaalsContact C-N 3.29Å; H317-K319 PolarHBondContact O-N 3.23Å; H317-R320 PolarHBondContact O-N 3.11Å; H317-A321 PolarHBondContact O-N 2.7Å |
| 318 | R | 93.2 | Very high | 93.6 | Very high | 105 Ų | 105 | 94.3 Ų | 94.3 | 40% | 0.396 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.9 | -36.4 | 175.7 | 179.6 | 180 | -70.9 | 129.5 | 0.2 | 112.5 | C314 D315 K322 | C314-R318 VanDerWaalsContact O-CB 3.23Å; C314-R318 WeakPolarHBondContact O-CB 3.33Å; C314-R318 PolarHBondContact O-N 3Å; D315-R318 PolarHBondContact O-N 2.84Å; D315-R318 IonicContact OD1-CZ 3.82Å; D315-R318 IonicContact OD1-NH1 3.9Å; D315-R318 PolarHBondContact OD1-NH1 3.47Å; R318-K322 WeakPolarHBondContact O-CG 3.43Å; R318-K322 PolarHBondContact O-N 3.16Å; R318-K322 VanDerWaalsContact O-N 3.1Å |
| 319 | K | 94.9 | Very high | 93.2 | Very high | 116 Ų | 116 | 96.6 Ų | 96.6 | 50% | 0.504 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.3 | -46 | 174.8 | 175.9 | 177.1 | 150.3 | -143 | 0 | 111.8 | D315 E316 H317 A321 K322 E323 | D315-K319 VanDerWaalsContact O-CB 3.24Å; D315-K319 WeakPolarHBondContact O-CB 3.38Å; D315-K319 PolarHBondContact O-N 3.32Å; E316-K319 PolarHBondContact O-N 3.02Å; E316-K319 IonicContact OE1-NZ 3.79Å; E316-K319 WeakPolarHBondContact OE2-CD 3.43Å; E316-K319 IonicContact OE2-NZ 2.68Å; E316-K319 PolarHBondContact OE2-NZ 3.44Å; H317-K319 VanDerWaalsContact C-N 3.29Å; H317-K319 PolarHBondContact O-N 3.23Å; K319-A321 VanDerWaalsContact C-N 3.34Å; K319-A321 PolarHBondContact O-N 3.34Å; K319-K322 PolarHBondContact O-N 3.27Å; K319-E323 PolarHBondContact O-N 3.29Å |
| 320 | R | 92.1 | Very high | 92.8 | Very high | 123 Ų | 123 | 100.6 Ų | 100.6 | 46% | 0.464 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 174.9 | -70.7 | 169.3 | -167.4 | 162.6 | 2.7 | 112 | E316 H317 E323 L324 | E316-R320 VanDerWaalsContact CG-CZ 3.43Å; E316-R320 VanDerWaalsContact O-CG 3.3Å; E316-R320 WeakPolarHBondContact O-CG 3.32Å; E316-R320 PolarHBondContact O-N 2.88Å; E316-R320 IonicContact OE1-CZ 2.61Å; E316-R320 IonicContact OE1-NE 2.7Å; E316-R320 PolarHBondContact OE1-NE 2.86Å; E316-R320 IonicContact OE1-NH2 3.54Å; E316-R320 PolarHBondContact OE1-NH2 3.38Å; H317-R320 PolarHBondContact O-N 3.11Å; R320-E323 PolarHBondContact O-N 3.02Å; R320-L324 WeakPolarHBondContact O-CB 3.4Å; R320-L324 WeakPolarHBondContact O-CG 3.06Å; R320-L324 PolarHBondContact O-N 2.9Å |
| 321 | A | 92 | Very high | 92.6 | Very high | 54 Ų | 54 | 101.7 Ų | 101.7 | 45% | 0.446 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H317 K319 E323 L324 K325 | H317-A321 PolarHBondContact O-N 2.7Å; K319-A321 VanDerWaalsContact C-N 3.34Å; K319-A321 PolarHBondContact O-N 3.34Å; A321-E323 PolarHBondContact O-N 3.14Å; A321-L324 PolarHBondContact O-N 3.19Å; A321-K325 WeakPolarHBondContact O-CB 3.26Å; A321-K325 PolarHBondContact O-N 2.84Å |
| 322 | K | 92.4 | Very high | 92.1 | Very high | 138 Ų | 138 | 100 Ų | 100 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62 | -39.7 | 175.1 | -73.5 | 171 | 179.8 | -179.6 | 0 | 113 | R318 K319 K325 S326 | R318-K322 WeakPolarHBondContact O-CG 3.43Å; R318-K322 PolarHBondContact O-N 3.16Å; R318-K322 VanDerWaalsContact O-N 3.1Å; K319-K322 PolarHBondContact O-N 3.27Å; K322-K325 PolarHBondContact O-N 3.4Å; K322-S326 PolarHBondContact O-N 2.9Å; K322-S326 PolarHBondContact O-OG 2.85Å |
| 323 | E | 92.7 | Very high | 91.5 | Very high | 88 Ų | 88 | 98.8 Ų | 98.8 | 41% | 0.411 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.7 | -38.3 | 177.3 | -165 | -170.9 | 140.6 | 0 | 0 | 112.5 | K319 R320 A321 S326 K327 | K319-E323 PolarHBondContact O-N 3.29Å; R320-E323 PolarHBondContact O-N 3.02Å; A321-E323 PolarHBondContact O-N 3.14Å; E323-S326 PolarHBondContact O-OG 3.36Å; E323-S326 VanDerWaalsContact O-OG 3.1Å; E323-K327 HydrophobicContact CG-CD 4.28Å; E323-K327 VanDerWaalsContact O-CB 3.3Å; E323-K327 WeakPolarHBondContact O-CB 3.28Å; E323-K327 VanDerWaalsContact O-CG 3.25Å; E323-K327 WeakPolarHBondContact O-CG 3.44Å; E323-K327 PolarHBondContact O-N 2.87Å; E323-K327 WeakPolarHBondContact OE1-CE 3.34Å; E323-K327 IonicContact OE1-NZ 2.99Å; E323-K327 PolarHBondContact OE1-NZ 2.9Å |
| 324 | L | 92.1 | Very high | 91.1 | Very high | 118 Ų | 118 | 96 Ų | 96 | 62% | 0.618 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -67.2 | -39.4 | 171.9 | -71.8 | 168.3 | 0 | 0 | 0 | 111.4 | R320 A321 K327 S328 | R320-L324 WeakPolarHBondContact O-CB 3.4Å; R320-L324 WeakPolarHBondContact O-CG 3.06Å; R320-L324 PolarHBondContact O-N 2.9Å; A321-L324 PolarHBondContact O-N 3.19Å; L324-K327 PolarHBondContact O-N 3.47Å; L324-S328 WeakPolarHBondContact O-CB 3.44Å; L324-S328 PolarHBondContact O-N 3.44Å |
| 325 | K | 91.7 | Very high | 90.3 | Very high | 110 Ų | 110 | 98 Ų | 98 | 48% | 0.478 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 175.8 | -154.2 | 166 | -167 | 170.7 | 0 | 110.8 | E215 A321 K322 S328 Q329 | E215-K325 IonicContact OE1-NZ 3.26Å; E215-K325 PolarHBondContact OE1-NZ 2.93Å; A321-K325 WeakPolarHBondContact O-CB 3.26Å; A321-K325 PolarHBondContact O-N 2.84Å; K322-K325 PolarHBondContact O-N 3.4Å; K325-S328 PolarHBondContact O-N 3.1Å; K325-Q329 WeakPolarHBondContact O-CB 3.25Å; K325-Q329 VanDerWaalsContact O-CG 3.26Å; K325-Q329 WeakPolarHBondContact O-CG 3.3Å; K325-Q329 PolarHBondContact O-N 3.36Å |
| 326 | S | 90.6 | Very high | 89.1 | Confident | 63 Ų | 63 | 99.9 Ų | 99.9 | 44% | 0.441 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.9 | -38.2 | 177.1 | 67.4 | 0 | 0 | 0 | 0 | 113.5 | K322 E323 Q329 H330 | K322-S326 PolarHBondContact O-N 2.9Å; K322-S326 PolarHBondContact O-OG 2.85Å; E323-S326 PolarHBondContact O-OG 3.36Å; E323-S326 VanDerWaalsContact O-OG 3.1Å; S326-Q329 PolarHBondContact O-N 3.37Å; S326-H330 WeakPolarHBondContact O-CB 3.44Å; S326-H330 PolarHBondContact O-N 3.22Å |
| 327 | K | 94.4 | Very high | 87.7 | Confident | 112 Ų | 112 | 102.5 Ų | 102.5 | 49% | 0.487 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 171.4 | -77.8 | 170 | 170.5 | 173 | 0 | 111.8 | E323 L324 H330 L331 | E323-K327 HydrophobicContact CG-CD 4.28Å; E323-K327 VanDerWaalsContact O-CB 3.3Å; E323-K327 WeakPolarHBondContact O-CB 3.28Å; E323-K327 VanDerWaalsContact O-CG 3.25Å; E323-K327 WeakPolarHBondContact O-CG 3.44Å; E323-K327 PolarHBondContact O-N 2.87Å; E323-K327 WeakPolarHBondContact OE1-CE 3.34Å; E323-K327 IonicContact OE1-NZ 2.99Å; E323-K327 PolarHBondContact OE1-NZ 2.9Å; L324-K327 PolarHBondContact O-N 3.47Å; K327-H330 PolarHBondContact O-N 3.3Å; K327-L331 WeakPolarHBondContact O-CG 3.19Å; K327-L331 PolarHBondContact O-N 3.46Å |
| 328 | S | 88.6 | Confident | 86.1 | Confident | 60 Ų | 60 | 102.8 Ų | 102.8 | 42% | 0.42 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 175.2 | -178.1 | 0 | 0 | 0 | 0 | 111.7 | L324 K325 H330 L331 N332 | L324-S328 WeakPolarHBondContact O-CB 3.44Å; L324-S328 PolarHBondContact O-N 3.44Å; K325-S328 PolarHBondContact O-N 3.1Å; S328-H330 VanDerWaalsContact C-N 3.35Å; S328-H330 PolarHBondContact O-N 2.88Å; S328-L331 PolarHBondContact O-N 3.39Å; S328-N332 WeakPolarHBondContact O-CB 3.41Å; S328-N332 PolarHBondContact O-N 3.47Å; S328-N332 PolarHBondContact O-ND2 3.1Å; S328-N332 PolarHBondContact OG-ND2 3.4Å |
| 329 | Q | 88.3 | Confident | 84.1 | Confident | 112 Ų | 112 | 101.5 Ų | 101.5 | 52% | 0.523 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 173.5 | -76.8 | 171.8 | -15.1 | 0 | 0 | 112 | K325 S326 N332 N333 | K325-Q329 WeakPolarHBondContact O-CB 3.25Å; K325-Q329 VanDerWaalsContact O-CG 3.26Å; K325-Q329 WeakPolarHBondContact O-CG 3.3Å; K325-Q329 PolarHBondContact O-N 3.36Å; S326-Q329 PolarHBondContact O-N 3.37Å; Q329-N332 PolarHBondContact O-N 2.91Å; Q329-N333 WeakPolarHBondContact O-CB 3.36Å; Q329-N333 PolarHBondContact O-N 2.87Å; Q329-N333 PolarHBondContact O-ND2 2.91Å |
| 330 | H | 89.7 | Confident | 81.9 | Confident | 127 Ų | 127 | 101.6 Ų | 101.6 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.7 | -46.6 | 175.8 | -178.4 | 65.3 | 0 | 0 | 0 | 111.7 | S326 K327 S328 N332 N333 V334 | S326-H330 WeakPolarHBondContact O-CB 3.44Å; S326-H330 PolarHBondContact O-N 3.22Å; K327-H330 PolarHBondContact O-N 3.3Å; S328-H330 VanDerWaalsContact C-N 3.35Å; S328-H330 PolarHBondContact O-N 2.88Å; H330-N332 PolarHBondContact O-N 3.28Å; H330-N333 PolarHBondContact O-N 2.9Å; H330-V334 WeakPolarHBondContact O-CG2 3.3Å; H330-V334 PolarHBondContact O-N 3.06Å |
| 331 | L | 90.6 | Very high | 79.6 | Confident | 119 Ų | 119 | 102.4 Ų | 102.4 | 62% | 0.623 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.5 | -40.1 | 176.1 | -71.2 | 170.5 | 0 | 0 | 0 | 112.6 | K327 S328 V334 L335 | K327-L331 WeakPolarHBondContact O-CG 3.19Å; K327-L331 PolarHBondContact O-N 3.46Å; S328-L331 PolarHBondContact O-N 3.39Å; L331-V334 PolarHBondContact O-N 2.99Å; L331-L335 WeakPolarHBondContact O-CB 3.49Å; L331-L335 PolarHBondContact O-N 3.16Å |
| 332 | N | 84.6 | Confident | 77.3 | Confident | 81 Ų | 81 | 104.4 Ų | 104.4 | 43% | 0.433 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.8 | -43.1 | 174.3 | -83.3 | -82.2 | 0 | 0 | 0 | 112 | S328 Q329 H330 V334 L335 M336 | S328-N332 WeakPolarHBondContact O-CB 3.41Å; S328-N332 PolarHBondContact O-N 3.47Å; S328-N332 PolarHBondContact O-ND2 3.1Å; S328-N332 PolarHBondContact OG-ND2 3.4Å; Q329-N332 PolarHBondContact O-N 2.91Å; H330-N332 PolarHBondContact O-N 3.28Å; N332-V334 PolarHBondContact O-N 2.8Å; N332-L335 PolarHBondContact O-N 2.93Å; N332-M336 VanDerWaalsContact O-CG 3.3Å; N332-M336 WeakPolarHBondContact O-CG 3.46Å; N332-M336 PolarHBondContact O-N 3.48Å |
| 333 | N | 84.1 | Confident | 75.4 | Confident | 105 Ų | 105 | 104 Ų | 104 | 56% | 0.561 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.7 | -40.6 | 175.5 | -79.3 | -71.8 | 0 | 0 | 0 | 111.9 | Q329 H330 M336 T337 | Q329-N333 WeakPolarHBondContact O-CB 3.36Å; Q329-N333 PolarHBondContact O-N 2.87Å; Q329-N333 PolarHBondContact O-ND2 2.91Å; H330-N333 PolarHBondContact O-N 2.9Å; N333-M336 PolarHBondContact O-N 3.5Å; N333-T337 WeakPolarHBondContact O-CB 3.21Å; N333-T337 PolarHBondContact O-N 2.83Å; N333-T337 PolarHBondContact O-OG1 2.61Å |
| 334 | V | 85.4 | Confident | 73 | Confident | 56 Ų | 56 | 105.2 Ų | 105.2 | 34% | 0.339 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.5 | -42.5 | 174 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | H330 L331 N332 M336 T337 L338 | H330-V334 WeakPolarHBondContact O-CG2 3.3Å; H330-V334 PolarHBondContact O-N 3.06Å; L331-V334 PolarHBondContact O-N 2.99Å; N332-V334 PolarHBondContact O-N 2.8Å; V334-M336 PolarHBondContact O-N 3.21Å; V334-T337 WeakPolarHBondContact O-CB 3.49Å; V334-T337 PolarHBondContact O-N 3.5Å; V334-T337 VanDerWaalsContact O-N 3.12Å; V334-L338 HydrophobicContact CG1-CD1 3.81Å; V334-L338 HydrophobicContact CG1-CG 4.41Å; V334-L338 WeakPolarHBondContact O-CB 3.37Å; V334-L338 WeakPolarHBondContact O-CG 3.45Å; V334-L338 PolarHBondContact O-N 2.78Å |
| 335 | L | 78.6 | Confident | 70.7 | Confident | 100 Ų | 100 | 105.8 Ų | 105.8 | 52% | 0.524 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61 | -44 | 176.1 | -175.2 | 61.6 | 0 | 0 | 0 | 111.9 | L331 N332 T337 L338 T339 | L331-L335 WeakPolarHBondContact O-CB 3.49Å; L331-L335 PolarHBondContact O-N 3.16Å; N332-L335 PolarHBondContact O-N 2.93Å; L335-T337 VanDerWaalsContact C-N 3.26Å; L335-T337 PolarHBondContact O-N 3.32Å; L335-L338 CarbonylContact O-C 3.57Å; L335-L338 PolarHBondContact O-N 3Å; L335-L338 VanDerWaalsContact O-N 3.13Å; L335-T339 PolarHBondContact O-N 3.22Å |
| 336 | M | 68.5 | Low | 68.5 | Low | 126 Ų | 126 | 106.9 Ų | 106.9 | 62% | 0.621 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -70.4 | -19.5 | 175.3 | -63.7 | -63.4 | 161.9 | 0 | 0 | 113.6 | N332 N333 V334 T339 | N332-M336 VanDerWaalsContact O-CG 3.3Å; N332-M336 WeakPolarHBondContact O-CG 3.46Å; N332-M336 PolarHBondContact O-N 3.48Å; N333-M336 PolarHBondContact O-N 3.5Å; V334-M336 PolarHBondContact O-N 3.21Å; M336-T339 WeakPolarHBondContact CA-OG1 3.38Å; M336-T339 PolarHBondContact O-OG1 2.84Å |
| 337 | T | 65.5 | Low | 66.4 | Low | 116 Ų | 116 | 109.9 Ų | 109.9 | 71% | 0.712 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -82.7 | -23.3 | 171.3 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | N333 V334 L335 | N333-T337 WeakPolarHBondContact O-CB 3.21Å; N333-T337 PolarHBondContact O-N 2.83Å; N333-T337 PolarHBondContact O-OG1 2.61Å; V334-T337 WeakPolarHBondContact O-CB 3.49Å; V334-T337 PolarHBondContact O-N 3.5Å; V334-T337 VanDerWaalsContact O-N 3.12Å; L335-T337 VanDerWaalsContact C-N 3.26Å; L335-T337 PolarHBondContact O-N 3.32Å |
| 338 | L | 57.4 | Low | 64 | Low | 129 Ų | 129 | 114.2 Ų | 114.2 | 68% | 0.675 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -100.6 | -9.8 | -179.7 | -67.4 | 175.9 | 0 | 0 | 0 | 114 | V334 L335 P340 | V334-L338 HydrophobicContact CG1-CD1 3.81Å; V334-L338 HydrophobicContact CG1-CG 4.41Å; V334-L338 WeakPolarHBondContact O-CB 3.37Å; V334-L338 WeakPolarHBondContact O-CG 3.45Å; V334-L338 PolarHBondContact O-N 2.78Å; L335-L338 CarbonylContact O-C 3.57Å; L335-L338 PolarHBondContact O-N 3Å; L335-L338 VanDerWaalsContact O-N 3.13Å; L338-P340 WeakPolarHBondContact O-CD 3.34Å |
| 339 | T | 51.8 | Low | 61.7 | Low | 78 Ų | 78 | 122.2 Ų | 122.2 | 48% | 0.479 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -62 | 116.1 | 169.5 | 37 | 0 | 0 | 0 | 0 | 109.9 | L335 M336 | L335-T339 PolarHBondContact O-N 3.22Å; M336-T339 WeakPolarHBondContact CA-OG1 3.38Å; M336-T339 PolarHBondContact O-OG1 2.84Å |
| 340 | P | 49.9 | Very low | 59.6 | Low | 118 Ų | 118 | 123 Ų | 123 | 77% | 0.766 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 145.3 | -175.3 | 28.2 | -34.7 | 0 | 0 | 0 | 111.3 | L338 A342 | L338-P340 WeakPolarHBondContact O-CD 3.34Å; P340-A342 PolarHBondContact O-N 3.47Å |
| 341 | V | 43.1 | Very low | 57.5 | Low | 140 Ų | 140 | 127 Ų | 127 | 85% | 0.848 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -54 | 121.9 | 178.6 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | T343 | V341-T343 PolarHBondContact O-N 3.46Š|
| 342 | A | 44 | Very low | 55.1 | Low | 96 Ų | 96 | 129.5 Ų | 129.5 | 79% | 0.793 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 122.9 | -178 | 0 | 0 | 0 | 0 | 0 | 111.5 | P340 | P340-A342 PolarHBondContact O-N 3.47Š|
| 343 | T | 51.6 | Low | 52.9 | Low | 129 Ų | 129 | 130.8 Ų | 130.8 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 148.6 | 170.3 | 45.2 | 0 | 0 | 0 | 0 | 111 | V341 | V341-T343 PolarHBondContact O-N 3.46Š|
| 344 | P | 42.1 | Very low | 50.6 | Low | 114 Ų | 114 | 136.5 Ų | 136.5 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 149.7 | -171.7 | 28.6 | -35.5 | 0 | 0 | 0 | 113 | ||
| 345 | P | 44 | Very low | 48.1 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -78 | 141.5 | -175.6 | 31.6 | -35.6 | 0 | 0 | 0 | 113 | ||
| 346 | T | 44.9 | Very low | 45.9 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | trans | -111.3 | 150.2 | 171.3 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 347 | P | 48.3 | Very low | 44.4 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -83.3 | 158.6 | -169.6 | 31.5 | -35.6 | 0 | 0 | 0 | 115.5 | ||||
| 348 | K | 43.9 | Very low | 42.9 | Very low | 202 Ų | 202 | 136.7 Ų | 136.7 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | trans | -52.3 | 152.5 | 168.7 | -58.1 | 155.4 | -173 | 170 | 0 | 110.3 | ||||
| 349 | R | 40.6 | Very low | 42 | Very low | 229 Ų | 229 | 136.2 Ų | 136.2 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | cis | -161.5 | -174.4 | 15.1 | -129.8 | -177.2 | -174.2 | 175.7 | 3.1 | 106.9 | ||||
| 350 | P | 44.2 | Very low | 41 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | cis | -138.5 | -158.3 | 37.6 | 41.1 | -18.6 | 0 | 0 | 0 | 115.3 | ||||
| 351 | R | 45.6 | Very low | 40.1 | Very low | 210 Ų | 210 | 137.3 Ų | 137.3 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -119.1 | 135.9 | -164 | 168.1 | -163.8 | -174.1 | -170.1 | 5.7 | 111.5 | ||||
| 352 | L | 38.5 | Very low | 39.6 | Very low | 171 Ų | 171 | 139 Ų | 139 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | trans | -134.1 | 171.4 | 158.4 | -89.9 | 174.1 | 0 | 0 | 0 | 110.8 | ||||
| 353 | T | 39.1 | Very low | 38.9 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 66% | 0.663 | 80% | 0.801 | S | S | * | * | trans | -127.7 | 128.2 | -149.8 | 47.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 354 | R | 34.8 | Very low | 37.9 | Very low | 226 Ų | 226 | 139.1 Ų | 139.1 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | 56.1 | 115.6 | 134.7 | -171.3 | -178.6 | -172 | 171.7 | 4.8 | 120.7 | V356 | R354-V356 HydrophobicContact CG-CG2 3.92Š| ||
| 355 | A | 33 | Very low | 37.3 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | -133 | 134.6 | 127 | 0 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 356 | V | 33.3 | Very low | 36.7 | Very low | 113 Ų | 113 | 137 Ų | 137 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | cis | 76.4 | 85.2 | 48.1 | -178.7 | 0 | 0 | 0 | 0 | 113.2 | R354 | R354-V356 HydrophobicContact CG-CG2 3.92Š| ||
| 357 | S | 37.2 | Very low | 36 | Very low | 121 Ų | 121 | 136.6 Ų | 136.6 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -147.2 | 155.5 | 145.3 | 52.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 358 | G | 34.6 | Very low | 35.1 | Very low | 70 Ų | 70 | 138.6 Ų | 138.6 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | trans | -91.2 | 171.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 359 | P | 38.1 | Very low | 34.5 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | -79.6 | 141.4 | -178.5 | 32.8 | -34.8 | 0 | 0 | 0 | 112.8 | ||||
| 360 | A | 29.4 | Very low | 33.8 | Very low | 102 Ų | 102 | 130.7 Ų | 130.7 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | -85.2 | 106.2 | 164 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 361 | V | 31.1 | Very low | 33 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | trans | -89.4 | 113.5 | 169.9 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 362 | M | 34.1 | Very low | 32.5 | Very low | 174 Ų | 174 | 126 Ų | 126 | 86% | 0.857 | 77% | 0.768 | S | S | * | * | trans | -122.6 | 123.1 | 164.7 | -74.9 | -105.4 | 63.6 | 0 | 0 | 107.7 | ||||
| 363 | S | 29.6 | Very low | 32.3 | Very low | 112 Ų | 112 | 125 Ų | 125 | 78% | 0.783 | 76% | 0.762 | S | S | * | * | trans | -83.3 | 126.5 | -166.1 | -53.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 364 | S | 30.1 | Very low | 32.4 | Very low | 116 Ų | 116 | 125.5 Ų | 125.5 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | -137.4 | 79.8 | 159.8 | 48.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 365 | A | 30.3 | Very low | 32.7 | Very low | 85 Ų | 85 | 123.4 Ų | 123.4 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | trans | -67 | 139.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | T367 | A365-T367 PolarHBondContact O-N 3.4Š| ||
| 366 | P | 29.5 | Very low | 33 | Very low | 117 Ų | 117 | 124.3 Ų | 124.3 | 76% | 0.76 | 76% | 0.756 | S | S | * | * | trans | -65.4 | 119.6 | 169.5 | 27.5 | -32.4 | 0 | 0 | 0 | 108.7 | Q368 | P366-Q368 PolarHBondContact O-N 3.31Š| ||
| 367 | T | 30.9 | Very low | 33.1 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | trans | -68.6 | 98.8 | 176.4 | 45.7 | 0 | 0 | 0 | 0 | 110 | A365 I369 | A365-T367 PolarHBondContact O-N 3.4Å; T367-I369 PolarHBondContact O-N 3.33Å | ||
| 368 | Q | 30.5 | Very low | 33.4 | Very low | 168 Ų | 168 | 123.3 Ų | 123.3 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -59.9 | 103.3 | 163.5 | -74.2 | -76.8 | -8.8 | 0 | 0 | 108.6 | P366 T370 | P366-Q368 PolarHBondContact O-N 3.31Å; Q368-T370 PolarHBondContact O-N 2.88Å; Q368-T370 VanDerWaalsContact O-N 3.12Å | ||
| 369 | I | 31 | Very low | 33.6 | Very low | 140 Ų | 140 | 125.1 Ų | 125.1 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | -83.2 | 85.8 | 175.2 | -61.4 | 174.1 | 0 | 0 | 0 | 107.9 | T367 L371 | T367-I369 PolarHBondContact O-N 3.33Å; I369-L371 PolarHBondContact O-N 2.94Å | ||
| 370 | T | 24.3 | Very low | 33.9 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | trans | -70.4 | 111.8 | 170.5 | -56.1 | 0 | 0 | 0 | 0 | 109.5 | Q368 | Q368-T370 PolarHBondContact O-N 2.88Å; Q368-T370 VanDerWaalsContact O-N 3.12Å | ||
| 371 | L | 27.8 | Very low | 34.5 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | -82.1 | 134.6 | 169.9 | -77.3 | 165.3 | 0 | 0 | 0 | 110.6 | I369 | I369-L371 PolarHBondContact O-N 2.94Š| ||
| 372 | P | 35.3 | Very low | 35.3 | Very low | 97 Ų | 97 | 121.5 Ų | 121.5 | 63% | 0.63 | 74% | 0.742 | S | S | * | * | trans | -71.5 | 130.5 | 167.5 | 30.1 | -32.5 | 0 | 0 | 0 | 109.9 | T374 | P372-T374 PolarHBondContact O-N 3.37Š| ||
| 373 | L | 33.9 | Very low | 35.7 | Very low | 149 Ų | 149 | 115.6 Ų | 115.6 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -70.4 | -0 | -170.8 | -169.7 | 54.8 | 0 | 0 | 0 | 114.7 | Q375 | L373-Q375 PolarHBondContact O-N 3.35Š|
| 374 | T | 41.6 | Very low | 36.5 | Very low | 118 Ų | 118 | 117.9 Ų | 117.9 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 16.9 | -165.8 | 38.4 | 0 | 0 | 0 | 0 | 116.1 | P372 | P372-T374 PolarHBondContact O-N 3.37Š|
| 375 | Q | 41.9 | Very low | 37.2 | Very low | 182 Ų | 182 | 116.5 Ų | 116.5 | 85% | 0.85 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.5 | 17.6 | 177.3 | -65.5 | -161.4 | -11.3 | 0 | 0 | 115.3 | L373 | L373-Q375 PolarHBondContact O-N 3.35Š|
| 376 | L | 37.8 | Very low | 37.8 | Very low | 116 Ų | 116 | 118.5 Ų | 118.5 | 61% | 0.607 | 70% | 0.697 | S | S | * | * | trans | -107.3 | 1.5 | 176.7 | -72.4 | 171.3 | 0 | 0 | 0 | 114.8 | G378 L379 | L376-G378 VanDerWaalsContact C-N 3.31Å; L376-G378 PolarHBondContact O-N 3.05Å; L376-L379 HydrophobicContact CD2-CD1 3.99Å | ||
| 377 | T | 36.7 | Very low | 38.4 | Very low | 138 Ų | 138 | 117 Ų | 117 | 85% | 0.847 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | 77.4 | 176.4 | 50.7 | 0 | 0 | 0 | 0 | 111.4 | ||
| 378 | G | 42.7 | Very low | 38.8 | Very low | 75 Ų | 75 | 116 Ų | 116 | 77% | 0.773 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 170 | -5.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117 | L376 | L376-G378 VanDerWaalsContact C-N 3.31Å; L376-G378 PolarHBondContact O-N 3.05Å |
| 379 | L | 39.8 | Very low | 39.2 | Very low | 108 Ų | 108 | 110 Ų | 110 | 57% | 0.565 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 137.6 | 177.3 | -73.4 | 166.3 | 0 | 0 | 0 | 111.5 | L376 | L376-L379 HydrophobicContact CD2-CD1 3.99Š|
| 380 | P | 44.3 | Very low | 39.4 | Very low | 100 Ų | 100 | 106.6 Ų | 106.6 | 65% | 0.649 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 149.7 | 172.9 | 29.6 | -34.6 | 0 | 0 | 0 | 111.3 | G382 | P380-G382 PolarHBondContact O-N 3.1Š|
| 381 | A | 41 | Very low | 39.9 | Very low | 113 Ų | 113 | 105.5 Ų | 105.5 | 93% | 0.934 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 116.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 382 | G | 48.4 | Very low | 40.3 | Very low | 50 Ų | 50 | 104.5 Ų | 104.5 | 52% | 0.515 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 146.2 | -26.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P380 | P380-G382 PolarHBondContact O-N 3.1Š|
| 383 | C | 43.3 | Very low | 40.2 | Very low | 51 Ų | 51 | 103.3 Ų | 103.3 | 35% | 0.345 | 67% | 0.669 | S | S | . | * | trans | -84.2 | 127.4 | 179.3 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 384 | K | 46 | Very low | 40.4 | Very low | 159 Ų | 159 | 101 Ų | 101 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -116.5 | 123 | 165.9 | -76.7 | -174 | 177.9 | 177.9 | 0 | 110.2 | L386 | K384-L386 HydrophobicContact CB-CD2 4.2Å |
| 385 | V | 45 | Very low | 40.6 | Very low | 87 Ų | 87 | 99.1 Ų | 99.1 | 53% | 0.527 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83.6 | 122.6 | 169.6 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | ||
| 386 | L | 42.1 | Very low | 40.5 | Very low | 127 Ų | 127 | 97.1 Ų | 97.1 | 67% | 0.665 | 67% | 0.666 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.6 | -21.7 | -174.1 | -65.1 | -162.9 | 0 | 0 | 0 | 115.4 | K384 L402 | K384-L386 HydrophobicContact CB-CD2 4.2Å; L386-L402 HydrophobicContact CD1-CD1 3.43Å; L386-L402 VanDerWaalsContact CD1-CD1 3.43Å; L386-L402 HydrophobicContact CG-CD1 3.98Å |
| 387 | S | 41.9 | Very low | 41 | Very low | 85 Ų | 85 | 96.7 Ų | 96.7 | 59% | 0.594 | 66% | 0.661 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -164.2 | 155.4 | 173.1 | -163.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 388 | M | 38.7 | Very low | 41.3 | Very low | 102 Ų | 102 | 93.3 Ų | 93.3 | 50% | 0.502 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.4 | 164.2 | -77.2 | -66.3 | -66.7 | 0 | 0 | 109.2 | G390 Y399 | M388-G390 PolarHBondContact O-N 3.46Å; M388-Y399 HydrophobicContact CE-CE1 3.94Å; M388-Y399 HydrophobicContact SD-CD1 3.98Å; M388-Y399 HydrophobicContact SD-CE1 3.75Å |
| 389 | G | 38.6 | Very low | 41.6 | Very low | 42 Ų | 42 | 94.3 Ų | 94.3 | 43% | 0.433 | 62% | 0.622 | S | S | . | * | P | Polyproline II helix | trans | -65 | 128.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 390 | G | 36.2 | Very low | 41.8 | Very low | 69 Ų | 69 | 91.9 Ų | 91.9 | 71% | 0.711 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 143.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | M388 V392 | M388-G390 PolarHBondContact O-N 3.46Å; G390-V392 PolarHBondContact O-N 2.94Å; G390-V392 VanDerWaalsContact O-N 3.11Å |
| 391 | A | 34.6 | Very low | 41.9 | Very low | 102 Ų | 102 | 88.9 Ų | 88.9 | 84% | 0.843 | 59% | 0.591 | S | S | * | * | trans | -64 | 112.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 392 | V | 35.8 | Very low | 41.7 | Very low | 125 Ų | 125 | 86.2 Ų | 86.2 | 76% | 0.758 | 56% | 0.561 | S | S | * | * | trans | -76 | 149.2 | 156.6 | -173.1 | 0 | 0 | 0 | 0 | 107.8 | G390 | G390-V392 PolarHBondContact O-N 2.94Å; G390-V392 VanDerWaalsContact O-N 3.11Å | ||
| 393 | G | 34.8 | Very low | 41.4 | Very low | 72 Ų | 72 | 86.5 Ų | 86.5 | 74% | 0.742 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -55.9 | 151.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 394 | A | 38.2 | Very low | 41.1 | Very low | 100 Ų | 100 | 86.2 Ų | 86.2 | 83% | 0.826 | 55% | 0.551 | S | S | * | * | S | Bend | trans | 69 | 46.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | Q396 | A394-Q396 PolarHBondContact O-N 3.39Š|
| 395 | G | 45.4 | Very low | 40.7 | Very low | 78 Ų | 78 | 83.8 Ų | 83.8 | 80% | 0.804 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 78.4 | 19 | 141.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 396 | Q | 40 | Very low | 40.1 | Very low | 140 Ų | 140 | 86.1 Ų | 86.1 | 65% | 0.654 | 57% | 0.566 | S | S | * | * | trans | -111.7 | 120.6 | 174.8 | -62.4 | -171.4 | 1.4 | 0 | 0 | 111.3 | A394 A450 | A394-Q396 PolarHBondContact O-N 3.39Å; Q396-A450 HydrophobicContact CB-CB 4.23Å | ||
| 397 | Q | 47.2 | Very low | 39.6 | Very low | 107 Ų | 107 | 83.5 Ų | 83.5 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | trans | -93.8 | 122.5 | 172.4 | -65.6 | -177 | -4 | 0 | 0 | 109.9 | Y399 A450 | Q397-Y399 HydrophobicContact CB-CE2 4.32Å; Q397-Y399 PolarHBondContact OE1-OH 2.93Å; Q397-Y399 VanDerWaalsContact OE1-OH 3.05Å; Q397-A450 WeakPolarHBondContact O-CA 3.48Å; Q397-A450 WeakPolarHBondContact O-CB 3.34Å; Q397-A450 PolarHBondContact O-N 3.06Å | ||
| 398 | T | 42.4 | Very low | 39.3 | Very low | 68 Ų | 68 | 88.8 Ų | 88.8 | 42% | 0.417 | 59% | 0.585 | S | S | . | * | trans | -95.5 | 130.1 | 175.8 | 36.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 399 | Y | 49.3 | Very low | 38.8 | Very low | 96 Ų | 96 | 92.3 Ų | 92.3 | 38% | 0.376 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.8 | 133.3 | 177.5 | -60.4 | -82.5 | 0 | 0 | 0 | 110.2 | M388 Q397 T447 L448 | M388-Y399 HydrophobicContact CE-CE1 3.94Å; M388-Y399 HydrophobicContact SD-CD1 3.98Å; M388-Y399 HydrophobicContact SD-CE1 3.75Å; Q397-Y399 HydrophobicContact CB-CE2 4.32Å; Q397-Y399 PolarHBondContact OE1-OH 2.93Å; Q397-Y399 VanDerWaalsContact OE1-OH 3.05Å; Y399-T447 WeakPolarHBondContact O-CA 3.35Å; Y399-L448 PolarHBondContact N-O 2.73Å; Y399-L448 PolarHBondContact O-N 3.25Å |
| 400 | T | 44 | Very low | 38.3 | Very low | 57 Ų | 57 | 93.1 Ų | 93.1 | 35% | 0.35 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.6 | 117 | 173.9 | -52.1 | 0 | 0 | 0 | 0 | 108.4 | L445 | T400-L445 HydrophobicContact CG2-CD1 3.54Å; T400-L445 HydrophobicContact CG2-CG 4.15Å |
| 401 | V | 47 | Very low | 38.4 | Very low | 37 Ų | 37 | 96.4 Ų | 96.4 | 22% | 0.224 | 62% | 0.622 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.8 | 136 | -178.2 | -175.9 | 0 | 0 | 0 | 0 | 109.4 | T403 I446 | V401-T403 HydrophobicContact CG1-CG2 4.23Å; V401-I446 PolarHBondContact N-O 2.91Å; V401-I446 PolarHBondContact O-N 3.26Å |
| 402 | L | 37.9 | Very low | 38.3 | Very low | 57 Ų | 57 | 98.9 Ų | 98.9 | 30% | 0.298 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.4 | 126.5 | 166.3 | -84.4 | 158.9 | 0 | 0 | 0 | 108.6 | L386 L445 | L386-L402 HydrophobicContact CD1-CD1 3.43Å; L386-L402 VanDerWaalsContact CD1-CD1 3.43Å; L386-L402 HydrophobicContact CG-CD1 3.98Å; L402-L445 HydrophobicContact CD1-CD1 4.35Å; L402-L445 HydrophobicContact CD2-CB 4.48Å; L402-L445 HydrophobicContact CD2-CD1 3.82Å; L402-L445 HydrophobicContact CG-CD1 3.77Å |
| 403 | T | 42.2 | Very low | 38.2 | Very low | 55 Ų | 55 | 97.3 Ų | 97.3 | 34% | 0.337 | 62% | 0.621 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.8 | 147.8 | 171.7 | 64.7 | 0 | 0 | 0 | 0 | 109.4 | V401 | V401-T403 HydrophobicContact CG1-CG2 4.23Å |
| 404 | S | 36.2 | Very low | 38.2 | Very low | 45 Ų | 45 | 99.1 Ų | 99.1 | 32% | 0.315 | 62% | 0.622 | S | S | . | * | trans | -126.1 | 130.4 | 172.7 | -170.2 | 0 | 0 | 0 | 0 | 107.9 | V406 Y443 | S404-V406 PolarHBondContact O-N 3.5Å; S404-Y443 WeakPolarHBondContact OG-CE1 3.48Å | ||
| 405 | P | 37.4 | Very low | 37.9 | Very low | 109 Ų | 109 | 101.3 Ų | 101.3 | 71% | 0.708 | 62% | 0.62 | S | S | * | * | trans | -75.4 | 108.9 | 171.6 | 30.2 | -30.9 | 0 | 0 | 0 | 109.3 | G442 | P405-G442 WeakPolarHBondContact CD-O 3.49Š| ||
| 406 | V | 31.9 | Very low | 37.1 | Very low | 135 Ų | 135 | 105.6 Ų | 105.6 | 82% | 0.818 | 62% | 0.624 | S | S | * | * | trans | -134.4 | 118.6 | 168.1 | 172 | 0 | 0 | 0 | 0 | 107.4 | S404 | S404-V406 PolarHBondContact O-N 3.5Š| ||
| 407 | G | 32.1 | Very low | 36.6 | Very low | 72 Ų | 72 | 104.7 Ų | 104.7 | 74% | 0.742 | 63% | 0.628 | S | S | * | * | S | Bend | trans | 143.5 | 126.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L409 | G407-L409 PolarHBondContact O-N 2.89Š|
| 408 | E | 35.7 | Very low | 35.6 | Very low | 197 Ų | 197 | 105.1 Ų | 105.1 | 92% | 0.921 | 64% | 0.637 | S | S | * | * | trans | -62.8 | 115.3 | -171.3 | -64.1 | 170.1 | 89.7 | 0 | 0 | 113.5 | ||||
| 409 | L | 27.7 | Very low | 34.7 | Very low | 175 Ų | 175 | 109.5 Ų | 109.5 | 92% | 0.916 | 66% | 0.658 | S | S | * | * | trans | -144.9 | 148.6 | 150.8 | -79.3 | -175.8 | 0 | 0 | 0 | 109.8 | G407 | G407-L409 PolarHBondContact O-N 2.89Š| ||
| 410 | G | 28.1 | Very low | 33.7 | Very low | 59 Ų | 59 | 109.7 Ų | 109.7 | 61% | 0.608 | 67% | 0.673 | S | S | * | * | trans | -71 | 173.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D412 | G410-D412 VanDerWaalsContact C-N 3.3Å; G410-D412 PolarHBondContact O-N 3.42Å | ||
| 411 | P | 38.3 | Very low | 33 | Very low | 138 Ų | 138 | 112.6 Ų | 112.6 | 90% | 0.896 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -80.4 | 63.5 | -167.2 | 34.7 | -38.5 | 0 | 0 | 0 | 114 | ||
| 412 | D | 33.4 | Very low | 32.1 | Very low | 155 Ų | 155 | 115.4 Ų | 115.4 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | trans | -150.8 | 86.5 | 167 | -117.7 | -33.3 | 0 | 0 | 0 | 112.3 | G410 | G410-D412 VanDerWaalsContact C-N 3.3Å; G410-D412 PolarHBondContact O-N 3.42Å | ||
| 413 | A | 33.2 | Very low | 31.7 | Very low | 92 Ų | 92 | 116.9 Ų | 116.9 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | trans | -133.2 | 27.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N415 | A413-N415 PolarHBondContact O-N 3.45Š| ||
| 414 | S | 35.6 | Very low | 31 | Very low | 110 Ų | 110 | 119.1 Ų | 119.1 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | trans | -78 | 40.3 | 179.9 | -60.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 415 | N | 31.3 | Very low | 30.7 | Very low | 145 Ų | 145 | 123.7 Ų | 123.7 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | trans | -154.1 | 102.2 | 177.5 | -86.5 | -56.1 | 0 | 0 | 0 | 112.2 | A413 | A413-N415 PolarHBondContact O-N 3.45Š| ||
| 416 | L | 28.6 | Very low | 30.3 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | trans | -132.5 | 95 | 160.6 | -88 | 175.8 | 0 | 0 | 0 | 109.7 | V418 | L416-V418 PolarHBondContact O-N 2.87Š| ||
| 417 | T | 28.9 | Very low | 30.2 | Very low | 121 Ų | 121 | 129.9 Ų | 129.9 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | -72.9 | 110.8 | 173.7 | -55.3 | 0 | 0 | 0 | 0 | 109.6 | L419 | T417-L419 PolarHBondContact O-N 3.44Å; T417-L419 VanDerWaalsContact O-N 3.11Å | ||
| 418 | V | 27.3 | Very low | 30.4 | Very low | 116 Ų | 116 | 130.6 Ų | 130.6 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | trans | -68.7 | 109.1 | 172.7 | 179.2 | 0 | 0 | 0 | 0 | 109.1 | L416 S420 | L416-V418 PolarHBondContact O-N 2.87Å; V418-S420 PolarHBondContact O-N 3.01Å | ||
| 419 | L | 23.8 | Very low | 30 | Very low | 161 Ų | 161 | 126 Ų | 126 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -71.3 | 82.2 | 166.7 | -78.7 | 171.5 | 0 | 0 | 0 | 109.5 | T417 S421 | T417-L419 PolarHBondContact O-N 3.44Å; T417-L419 VanDerWaalsContact O-N 3.11Å; L419-S421 PolarHBondContact O-N 3.11Å | ||
| 420 | S | 27.7 | Very low | 30 | Very low | 99 Ų | 99 | 122 Ų | 122 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | -62.1 | 101.7 | 165.6 | -69.2 | 0 | 0 | 0 | 0 | 109.2 | V418 A422 | V418-S420 PolarHBondContact O-N 3.01Å; S420-A422 VanDerWaalsContact C-N 3.26Å; S420-A422 PolarHBondContact O-N 2.98Å | ||
| 421 | S | 29.5 | Very low | 30 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -68 | 85.7 | 170.3 | 40.6 | 0 | 0 | 0 | 0 | 109.7 | L419 A423 | L419-S421 PolarHBondContact O-N 3.11Å; S421-A423 PolarHBondContact O-N 3.33Å | ||
| 422 | A | 26.7 | Very low | 30 | Very low | 96 Ų | 96 | 122.7 Ų | 122.7 | 79% | 0.793 | 80% | 0.799 | S | S | * | * | trans | -66.8 | 81 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110 | S420 A424 | S420-A422 VanDerWaalsContact C-N 3.26Å; S420-A422 PolarHBondContact O-N 2.98Å; A422-A424 PolarHBondContact O-N 3.4Å | ||
| 423 | A | 31.3 | Very low | 30 | Very low | 89 Ų | 89 | 120.9 Ų | 120.9 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -55.9 | 134 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | S421 V425 | S421-A423 PolarHBondContact O-N 3.33Å; A423-V425 PolarHBondContact O-N 3.12Å | ||
| 424 | A | 27.3 | Very low | 30.3 | Very low | 101 Ų | 101 | 120.1 Ų | 120.1 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -59.9 | 133.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A422 Q426 | A422-A424 PolarHBondContact O-N 3.4Å; A424-Q426 PolarHBondContact O-N 3.48Å; A424-Q426 VanDerWaalsContact O-N 3.16Å | ||
| 425 | V | 29.9 | Very low | 30.5 | Very low | 142 Ų | 142 | 121.3 Ų | 121.3 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -71.3 | 110.5 | 175.1 | 177.7 | 0 | 0 | 0 | 0 | 108.9 | A423 | A423-V425 PolarHBondContact O-N 3.12Š| ||
| 426 | Q | 28.3 | Very low | 30.8 | Very low | 181 Ų | 181 | 119.8 Ų | 119.8 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -110.7 | 144.4 | 152.5 | -164.7 | 159.8 | -0.7 | 0 | 0 | 107.8 | A424 | A424-Q426 PolarHBondContact O-N 3.48Å; A424-Q426 VanDerWaalsContact O-N 3.16Å | ||
| 427 | E | 28.7 | Very low | 31 | Very low | 193 Ų | 193 | 119 Ų | 119 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -64.8 | 136.7 | -158.2 | -62.6 | 170 | 102.1 | 0 | 0 | 113.9 | ||
| 428 | G | 36.8 | Very low | 31.2 | Very low | 86 Ų | 86 | 119.9 Ų | 119.9 | 89% | 0.887 | 76% | 0.756 | S | S | * | * | trans | 113.3 | 37.1 | 161 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 429 | A | 26.7 | Very low | 31.7 | Very low | 100 Ų | 100 | 119.6 Ų | 119.6 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -138.1 | 149.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 430 | A | 28.4 | Very low | 32.2 | Very low | 93 Ų | 93 | 114.2 Ų | 114.2 | 77% | 0.769 | 73% | 0.73 | S | S | * | * | trans | -77.8 | 136.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T432 | A430-T432 PolarHBondContact O-N 2.89Š| ||
| 431 | A | 29.2 | Very low | 32.5 | Very low | 96 Ų | 96 | 116 Ų | 116 | 79% | 0.793 | 74% | 0.74 | S | S | * | * | trans | -70.5 | 117.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 432 | T | 36.8 | Very low | 33.3 | Very low | 115 Ų | 115 | 112.4 Ų | 112.4 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | trans | -95.2 | 94.1 | 177.3 | 39.5 | 0 | 0 | 0 | 0 | 110.9 | A430 A434 | A430-T432 PolarHBondContact O-N 2.89Å; T432-A434 PolarHBondContact O-N 3.13Å | ||
| 433 | T | 34.2 | Very low | 34 | Very low | 116 Ų | 116 | 113.7 Ų | 113.7 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | trans | -79.6 | 116.6 | 179.5 | 43.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 434 | A | 39.2 | Very low | 34.5 | Very low | 76 Ų | 76 | 114 Ų | 114 | 63% | 0.628 | 69% | 0.692 | S | S | * | * | trans | -69.6 | 135.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | T432 | T432-A434 PolarHBondContact O-N 3.13Š| ||
| 435 | F | 40 | Very low | 35 | Very low | 136 Ų | 136 | 111.7 Ų | 111.7 | 60% | 0.596 | 67% | 0.665 | S | S | * | * | trans | -119.9 | 129.8 | -179.6 | 50.4 | -92.6 | 0 | 0 | 0 | 110.6 | T447 | F435-T447 HydrophobicContact CZ-CG2 4.16Š| ||
| 436 | I | 37.5 | Very low | 35.8 | Very low | 113 Ų | 113 | 107.6 Ų | 107.6 | 58% | 0.579 | 64% | 0.638 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.6 | 132 | 174.4 | -60.2 | 171.2 | 0 | 0 | 0 | 107.6 | ||
| 437 | K | 32.8 | Very low | 36.6 | Very low | 150 Ų | 150 | 100.1 Ų | 100.1 | 65% | 0.652 | 61% | 0.605 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.8 | 110.2 | 174.1 | -172.4 | 173.3 | -178.7 | 179.4 | 0 | 108.9 | ||
| 438 | M | 32.5 | Very low | 37.2 | Very low | 140 Ų | 140 | 95 Ų | 95 | 69% | 0.69 | 58% | 0.583 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -65.9 | 135.2 | 166 | -83.1 | -157.8 | -75.2 | 0 | 0 | 109.3 | ||
| 439 | V | 37.9 | Very low | 37.5 | Very low | 110 Ų | 110 | 93.5 Ų | 93.5 | 67% | 0.667 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.4 | -31.1 | 179.3 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | ||
| 440 | S | 33.7 | Very low | 38.6 | Very low | 49 Ų | 49 | 90.3 Ų | 90.3 | 34% | 0.343 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 162.5 | 174.6 | 53.7 | 0 | 0 | 0 | 0 | 109.7 | G442 Y443 | S440-G442 VanDerWaalsContact C-N 3.35Å; S440-G442 PolarHBondContact O-N 3.12Å; S440-Y443 PolarHBondContact O-N 2.97Å |
| 441 | P | 35.8 | Very low | 39.7 | Very low | 137 Ų | 137 | 90 Ų | 90 | 89% | 0.89 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 88.9 | 174.9 | 29.5 | -35 | 0 | 0 | 0 | 110.6 | ||
| 442 | G | 45 | Very low | 40.4 | Very low | 41 Ų | 41 | 92 Ų | 92 | 42% | 0.423 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 158.1 | -25.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P405 S440 | P405-G442 WeakPolarHBondContact CD-O 3.49Å; S440-G442 VanDerWaalsContact C-N 3.35Å; S440-G442 PolarHBondContact O-N 3.12Å |
| 443 | Y | 41.5 | Very low | 40.8 | Very low | 124 Ų | 124 | 88.9 Ų | 88.9 | 49% | 0.486 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.6 | -174.9 | -58.2 | -76.4 | 0 | 0 | 0 | 112.7 | S404 S440 | S404-Y443 WeakPolarHBondContact OG-CE1 3.48Å; S440-Y443 PolarHBondContact O-N 2.97Å |
| 444 | Q | 41.8 | Very low | 41.2 | Very low | 95 Ų | 95 | 88.6 Ų | 88.6 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 133.4 | 174.4 | -62.7 | -170.5 | 15 | 0 | 0 | 110.6 | ||
| 445 | L | 38.6 | Very low | 41.3 | Very low | 52 Ų | 52 | 93.5 Ų | 93.5 | 27% | 0.272 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120.7 | 174.9 | -171.8 | 71.4 | 0 | 0 | 0 | 109 | T400 L402 | T400-L445 HydrophobicContact CG2-CD1 3.54Å; T400-L445 HydrophobicContact CG2-CG 4.15Å; L402-L445 HydrophobicContact CD1-CD1 4.35Å; L402-L445 HydrophobicContact CD2-CB 4.48Å; L402-L445 HydrophobicContact CD2-CD1 3.82Å; L402-L445 HydrophobicContact CG-CD1 3.77Å |
| 446 | I | 46.2 | Very low | 41.4 | Very low | 56 Ų | 56 | 94 Ų | 94 | 29% | 0.287 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 126.2 | -179.4 | -58 | 177.6 | 0 | 0 | 0 | 109.5 | V401 L448 | V401-I446 PolarHBondContact N-O 2.91Å; V401-I446 PolarHBondContact O-N 3.26Å; I446-L448 HydrophobicContact CG2-CD1 4.07Å; I446-L448 HydrophobicContact CG2-CG 4.08Å |
| 447 | T | 44.3 | Very low | 41.6 | Very low | 25 Ų | 25 | 96.3 Ų | 96.3 | 15% | 0.153 | 54% | 0.541 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 121.9 | 174.8 | -52.4 | 0 | 0 | 0 | 0 | 109.3 | Y399 F435 | Y399-T447 WeakPolarHBondContact O-CA 3.35Å; F435-T447 HydrophobicContact CZ-CG2 4.16Å |
| 448 | L | 42.7 | Very low | 41.9 | Very low | 85 Ų | 85 | 92.1 Ų | 92.1 | 45% | 0.445 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 132 | -176.4 | -80 | 149.3 | 0 | 0 | 0 | 111.5 | Y399 I446 | Y399-L448 PolarHBondContact N-O 2.73Å; Y399-L448 PolarHBondContact O-N 3.25Å; I446-L448 HydrophobicContact CG2-CD1 4.07Å; I446-L448 HydrophobicContact CG2-CG 4.08Å |
| 449 | P | 43.7 | Very low | 42.1 | Very low | 55 Ų | 55 | 95 Ų | 95 | 36% | 0.357 | 55% | 0.549 | S | S | . | . | trans | -66.9 | 151.1 | 171 | -19.9 | 32.8 | 0 | 0 | 0 | 112.8 | A451 | P449-A451 PolarHBondContact O-N 3.27Š| ||
| 450 | A | 49.8 | Very low | 42.1 | Very low | 32 Ų | 32 | 94.7 Ų | 94.7 | 26% | 0.264 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -54.1 | -25.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q396 Q397 L452 G453 | Q396-A450 HydrophobicContact CB-CB 4.23Å; Q397-A450 WeakPolarHBondContact O-CA 3.48Å; Q397-A450 WeakPolarHBondContact O-CB 3.34Å; Q397-A450 PolarHBondContact O-N 3.06Å; A450-L452 VanDerWaalsContact C-N 3.25Å; A450-L452 PolarHBondContact O-N 3.21Å; A450-L452 VanDerWaalsContact O-N 3.1Å; A450-G453 PolarHBondContact O-N 2.97Å |
| 451 | A | 49.7 | Very low | 41.9 | Very low | 86 Ų | 86 | 95.3 Ų | 95.3 | 71% | 0.711 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -68.4 | -12.2 | -161.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | P449 | P449-A451 PolarHBondContact O-N 3.27Š|
| 452 | L | 44.7 | Very low | 41.6 | Very low | 139 Ų | 139 | 92.1 Ų | 92.1 | 73% | 0.728 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -85.7 | -10.9 | 176.7 | -112.8 | 75.5 | 0 | 0 | 0 | 114.4 | A450 T454 | A450-L452 VanDerWaalsContact C-N 3.25Å; A450-L452 PolarHBondContact O-N 3.21Å; A450-L452 VanDerWaalsContact O-N 3.1Å; L452-T454 VanDerWaalsContact C-N 3.26Å; L452-T454 PolarHBondContact O-N 3.22Å |
| 453 | G | 44.8 | Very low | 41.1 | Very low | 49 Ų | 49 | 96.9 Ų | 96.9 | 51% | 0.505 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.1 | -24.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A450 | A450-G453 PolarHBondContact O-N 2.97Š|
| 454 | T | 42.5 | Very low | 40.5 | Very low | 111 Ų | 111 | 99.2 Ų | 99.2 | 68% | 0.681 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -11.1 | -168.9 | 46.6 | 0 | 0 | 0 | 0 | 115.5 | L452 | L452-T454 VanDerWaalsContact C-N 3.26Å; L452-T454 PolarHBondContact O-N 3.22Å |
| 455 | Q | 42.8 | Very low | 40.3 | Very low | 178 Ų | 178 | 103.8 Ų | 103.8 | 83% | 0.832 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -85.3 | -14.9 | 173.5 | -78.3 | -143.9 | -43 | 0 | 0 | 114.3 | ||
| 456 | L | 41.8 | Very low | 39.9 | Very low | 148 Ų | 148 | 104.8 Ų | 104.8 | 78% | 0.775 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -80.4 | -12.7 | 178.9 | -90.1 | 161.1 | 0 | 0 | 0 | 114.5 | G458 | L456-G458 VanDerWaalsContact C-N 3.34Å; L456-G458 PolarHBondContact O-N 3.32Å |
| 457 | Q | 41.8 | Very low | 39 | Very low | 160 Ų | 160 | 108.6 Ų | 108.6 | 75% | 0.748 | 68% | 0.676 | S | S | * | * | G | 310 helix | trans | -83.4 | -3.4 | 179.7 | -71.5 | -176.2 | -47.8 | 0 | 0 | 114.4 | ||
| 458 | G | 38.1 | Very low | 38.4 | Very low | 63 Ų | 63 | 113.2 Ų | 113.2 | 65% | 0.649 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -76.2 | -17.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L456 | L456-G458 VanDerWaalsContact C-N 3.34Å; L456-G458 PolarHBondContact O-N 3.32Å |
| 459 | F | 37.3 | Very low | 37.6 | Very low | 200 Ų | 200 | 114.5 Ų | 114.5 | 88% | 0.877 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -94.8 | 1.3 | -170.9 | -87.5 | -86.1 | 0 | 0 | 0 | 115.4 | ||
| 460 | A | 37.1 | Very low | 36.7 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 85% | 0.851 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -103.1 | 26.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 461 | G | 30.4 | Very low | 35.5 | Very low | 63 Ų | 63 | 124.9 Ų | 124.9 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -125.6 | 141 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 462 | G | 30.1 | Very low | 34.2 | Very low | 70 Ų | 70 | 125.3 Ų | 125.3 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | trans | -73.4 | 161.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 463 | T | 32.5 | Very low | 33.3 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | 60.3 | 101.2 | 167.3 | 58.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 464 | L | 29.7 | Very low | 32.6 | Very low | 173 Ų | 173 | 131 Ų | 131 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | -167.3 | 174.1 | 113.4 | -100.3 | 163 | 0 | 0 | 0 | 111 | |||||
| 465 | Q | 38.1 | Very low | 31.9 | Very low | 192 Ų | 192 | 135.2 Ų | 135.2 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -91.3 | 144.8 | -164.7 | -61.9 | 168.5 | -47.1 | 0 | 0 | 113.5 | ||||
| 466 | G | 29.2 | Very low | 31.1 | Very low | 72 Ų | 72 | 130 Ų | 130 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | trans | 152.7 | 91.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 467 | T | 27.8 | Very low | 30.5 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 84% | 0.84 | 80% | 0.804 | S | S | * | * | trans | -97.6 | 125.4 | 172 | 49 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 468 | P | 31.8 | Very low | 29.8 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | trans | -108.2 | 101.6 | 155.8 | 33.4 | -24.1 | 0 | 0 | 0 | 110.5 | ||||
| 469 | T | 26.2 | Very low | 29.3 | Very low | 112 Ų | 112 | 132.2 Ų | 132.2 | 69% | 0.687 | 82% | 0.819 | S | S | * | * | trans | -72.6 | 138.5 | 168.7 | -45.4 | 0 | 0 | 0 | 0 | 109.7 | V471 | T469-V471 HydrophobicContact CG2-CG2 4.08Š| ||
| 470 | M | 23.7 | Very low | 28.7 | Very low | 184 Ų | 184 | 130.2 Ų | 130.2 | 91% | 0.906 | 82% | 0.816 | S | S | * | * | trans | -128.5 | 137.9 | 161.9 | -75.9 | -66 | -83.4 | 0 | 0 | 109.7 | ||||
| 471 | V | 25.9 | Very low | 28.2 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 73% | 0.733 | 82% | 0.818 | S | S | * | * | trans | -118.5 | 140.6 | -169.5 | 178 | 0 | 0 | 0 | 0 | 109.1 | T469 | T469-V471 HydrophobicContact CG2-CG2 4.08Š| ||
| 472 | A | 21.9 | Very low | 27.9 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -78.4 | 146.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 473 | M | 26.3 | Very low | 27.7 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 89% | 0.892 | 83% | 0.831 | S | S | * | * | trans | -132.7 | 136.6 | 166.9 | -78.7 | -161.9 | 163.6 | 0 | 0 | 110.8 | ||||
| 474 | P | 29.9 | Very low | 27.4 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -95.3 | 149.5 | 176.7 | 36.6 | -33 | 0 | 0 | 0 | 112.3 | ||||
| 475 | M | 28.3 | Very low | 27.2 | Very low | 200 Ų | 200 | 134.6 Ų | 134.6 | 99% | 0.985 | 82% | 0.822 | S | S | * | * | trans | -151.6 | 154.9 | 158.7 | -128.7 | 179.3 | -177.2 | 0 | 0 | 111.4 | ||||
| 476 | G | 26.1 | Very low | 26.7 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | trans | -102.9 | -166.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 477 | N | 28.4 | Very low | 26.5 | Very low | 153 Ų | 153 | 134.9 Ų | 134.9 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -70.9 | 164.4 | -163 | -71.1 | -1.9 | 0 | 0 | 0 | 117 | ||||
| 478 | N | 27.5 | Very low | 26.5 | Very low | 158 Ų | 158 | 132.5 Ų | 132.5 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | 75.6 | 105 | 158.9 | -63 | -30.2 | 0 | 0 | 0 | 118.6 | ||||
| 479 | A | 26 | Very low | 26.2 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | -161.1 | 143.6 | 114.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 480 | L | 25.7 | Very low | 26.2 | Very low | 159 Ų | 159 | 136.4 Ų | 136.4 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -62.6 | 131.4 | 163.5 | -106.7 | 155.8 | 0 | 0 | 0 | 111.8 | ||||
| 481 | Q | 26.9 | Very low | 26.3 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | 174.3 | 169.6 | 113.5 | -97.1 | 167.4 | 41.1 | 0 | 0 | 113 | |||||
| 482 | G | 23.7 | Very low | 26.3 | Very low | 66 Ų | 66 | 135.8 Ų | 135.8 | 68% | 0.68 | 82% | 0.821 | S | S | * | * | trans | -121 | -166.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 483 | M | 25.8 | Very low | 26.6 | Very low | 198 Ų | 198 | 137.8 Ų | 137.8 | 98% | 0.975 | 82% | 0.822 | S | S | * | * | trans | 79.4 | 108.6 | -180 | -91.8 | 176.2 | 161.7 | 0 | 0 | 118.4 | ||||
| 484 | A | 26.5 | Very low | 26.5 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 79% | 0.793 | 81% | 0.814 | S | S | * | * | trans | -19.7 | 140 | 156.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 485 | A | 25.9 | Very low | 26.3 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | 59.1 | 126.5 | 135.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 486 | V | 26.2 | Very low | 26.4 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | -164.9 | 173.1 | 106.5 | 150.2 | 0 | 0 | 0 | 0 | 109 | |||||
| 487 | T | 26.9 | Very low | 26.5 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | -96.5 | 154 | -157.9 | 55.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 488 | A | 26.4 | Very low | 26.6 | Very low | 88 Ų | 88 | 139.5 Ų | 139.5 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | 89 | 153.4 | 134.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 489 | L | 26.9 | Very low | 26.7 | Very low | 159 Ų | 159 | 140.5 Ų | 140.5 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | trans | 69.8 | 94.1 | 164.1 | -93.5 | 71.1 | 0 | 0 | 0 | 121.2 | ||||
| 490 | D | 24.6 | Very low | 26.9 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | 55.1 | 157.5 | 102.7 | -137.1 | -17.1 | 0 | 0 | 0 | 122.8 | |||||
| 491 | T | 27.2 | Very low | 27.2 | Very low | 118 Ų | 118 | 141.9 Ų | 141.9 | 72% | 0.724 | 81% | 0.81 | S | S | * | * | trans | 85.8 | 82.2 | 167.3 | -13.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 492 | Q | 25.5 | Very low | 27.5 | Very low | 175 Ų | 175 | 141.6 Ų | 141.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | 8.4 | 132.6 | 124.2 | -170.5 | -177.6 | 26.4 | 0 | 0 | 119.5 | |||||
| 493 | V | 27 | Very low | 28.1 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 82% | 0.824 | 81% | 0.81 | S | S | * | * | -178.9 | 152.7 | 121.7 | 147 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 494 | D | 24.4 | Very low | 28.7 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | trans | -65.9 | 162.4 | -177.8 | -140.9 | -68.8 | 0 | 0 | 0 | 116.1 | ||||
| 495 | V | 27.5 | Very low | 29 | Very low | 131 Ų | 131 | 144.9 Ų | 144.9 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | 169.7 | 139.9 | 124.3 | 154.1 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 496 | Q | 28.4 | Very low | 29.9 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -79.3 | 147.6 | 175.7 | -56.7 | 170.9 | -36.6 | 0 | 0 | 113.5 | ||||
| 497 | V | 29.5 | Very low | 30.4 | Very low | 138 Ų | 138 | 149.3 Ų | 149.3 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -138.4 | 149.6 | 151.8 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 498 | Q | 31.1 | Very low | 31.3 | Very low | 187 Ų | 187 | 152.8 Ų | 152.8 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | trans | -138.4 | 112.3 | -169.6 | 175.8 | -175.1 | -2.1 | 0 | 0 | 110.3 | ||||
| 499 | E | 29.7 | Very low | 31.5 | Very low | 179 Ų | 179 | 156 Ų | 156 | 84% | 0.836 | 84% | 0.844 | S | S | * | * | trans | -130.8 | 121 | 168.3 | -80.8 | -175.5 | 111 | 0 | 0 | 107.9 | ||||
| 500 | A | 30 | Very low | 31.8 | Very low | 96 Ų | 96 | 155.8 Ų | 155.8 | 79% | 0.793 | 85% | 0.845 | S | S | * | * | 90.4 | 131.3 | 63.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 501 | K | 32.1 | Very low | 32.2 | Very low | 196 Ų | 196 | 155.9 Ų | 155.9 | 85% | 0.852 | 85% | 0.845 | S | S | * | * | trans | -137.4 | 108.5 | -165.7 | 177.8 | -168 | 178.3 | -171.4 | 0 | 108.2 | ||||
| 502 | E | 32.8 | Very low | 32.5 | Very low | 182 Ų | 182 | 158.1 Ų | 158.1 | 85% | 0.85 | 85% | 0.853 | S | S | * | * | trans | -102.6 | 134.2 | 178.9 | -166.8 | 163 | -163.7 | 0 | 0 | 110.8 | ||||
| 503 | T | 34.8 | Very low | 32.9 | Very low | 113 Ų | 113 | 157.1 Ų | 157.1 | 69% | 0.693 | 86% | 0.855 | S | S | * | * | trans | -115.8 | 126.6 | 177.4 | 45.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 504 | V | 40.3 | Very low | 33.3 | Very low | 129 Ų | 129 | 158.5 Ų | 158.5 | 78% | 0.782 | 86% | 0.857 | S | S | * | * | trans | -107.2 | 114.6 | 174.9 | 177.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 505 | E | 32.9 | Very low | 33.9 | Very low | 188 Ų | 188 | 160.2 Ų | 160.2 | 88% | 0.879 | 87% | 0.867 | S | S | * | * | trans | -77.9 | 156.8 | 166.3 | -66.2 | 177.1 | 121.6 | 0 | 0 | 110 | ||||
| 506 | V | 43.9 | Very low | 34.4 | Very low | 141 Ų | 141 | 162.5 Ų | 162.5 | 86% | 0.855 | 87% | 0.872 | S | S | * | * | trans | -127.1 | 118.5 | 177.5 | 178 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 507 | E | 37.5 | Very low | 34.9 | Very low | 188 Ų | 188 | 161.3 Ų | 161.3 | 88% | 0.879 | 88% | 0.876 | S | S | * | * | trans | -131.6 | 114.5 | 174.3 | -172.5 | -176.3 | 152.3 | 0 | 0 | 110 | ||||
| 508 | S | 44.5 | Very low | 35.4 | Very low | 198 Ų | 198 | 163.4 Ų | 163.4 | 100% | 1.385 | 88% | 0.88 | S | S | * | * | trans | -172 | 0 | 160.8 | -75.8 | 0 | 0 | 0 | 0 | 109.5 |
Retrieved 508 of 508 residues in 362.7 ms
(Link to these results)