| 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 | 40 | Very low | 35.7 | Very low | 246 Ų | 246 | 159.5 Ų | 159.5 | 100% | 1.212 | 82% | 0.817 | S | S | * | * | 0 | 97.2 | 0 | -69.7 | 178.4 | 172.8 | 0 | 0 | 107 | E3 | M1-E3 PolarHBondContact O-N 3.09Š| |||
| 2 | A | 32.4 | Very low | 35.1 | Very low | 97 Ų | 97 | 154.7 Ų | 154.7 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -83.4 | 103.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | N4 | A2-N4 PolarHBondContact O-N 3.39Š| ||
| 3 | E | 38.8 | Very low | 34.8 | Very low | 175 Ų | 175 | 155.7 Ų | 155.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -82.2 | 111.5 | 164.9 | -73.5 | -171.6 | 167.8 | 0 | 0 | 108.4 | M1 K5 | M1-E3 PolarHBondContact O-N 3.09Å; E3-K5 PolarHBondContact O-N 2.86Å | ||
| 4 | N | 34.8 | Very low | 34.7 | Very low | 149 Ų | 149 | 153.8 Ų | 153.8 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -53.1 | 113.2 | 167.8 | -73.6 | -46.5 | 0 | 0 | 0 | 110.4 | A2 | A2-N4 PolarHBondContact O-N 3.39Š| ||
| 5 | K | 41.2 | Very low | 34.6 | Very low | 191 Ų | 191 | 149.9 Ų | 149.9 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | trans | -111.9 | 94.3 | 153.9 | -71.4 | -176.4 | -177.9 | -179.3 | 0 | 107.2 | E3 | E3-K5 PolarHBondContact O-N 2.86Š| ||
| 6 | H | 35.8 | Very low | 35.1 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | -81.5 | 140.6 | 165.3 | -110.3 | -90.7 | 0 | 0 | 0 | 109.8 | ||||
| 7 | P | 34.5 | Very low | 34.9 | Very low | 99 Ų | 99 | 149.6 Ų | 149.6 | 64% | 0.643 | 79% | 0.789 | S | S | * | * | trans | -67.5 | 148.3 | -177.6 | 27.8 | -36.7 | 0 | 0 | 0 | 112.6 | V9 | P7-V9 PolarHBondContact O-N 3.11Š| ||
| 8 | Q | 36.4 | Very low | 35 | Very low | 189 Ų | 189 | 155.2 Ų | 155.2 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -78.9 | 115.6 | 162.9 | -66.4 | -151.7 | 26.7 | 0 | 0 | 109.2 | ||||
| 9 | V | 31.2 | Very low | 34.6 | Very low | 107 Ų | 107 | 154 Ų | 154 | 65% | 0.648 | 80% | 0.798 | S | S | * | * | trans | -80.7 | 112.9 | 166.2 | 175.8 | 0 | 0 | 0 | 0 | 107.5 | P7 F11 | P7-V9 PolarHBondContact O-N 3.11Å; V9-F11 HydrophobicContact CG1-CD2 4.43Å; V9-F11 HydrophobicContact CG1-CE2 4.3Å | ||
| 10 | I | 38.5 | Very low | 34.4 | Very low | 143 Ų | 143 | 154.9 Ų | 154.9 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | -79.5 | 122 | 161.7 | -64.2 | 172.3 | 0 | 0 | 0 | 106.3 | C12 | I10-C12 PolarHBondContact O-N 3.01Š| ||
| 11 | F | 29.2 | Very low | 34.1 | Very low | 187 Ų | 187 | 153.6 Ų | 153.6 | 82% | 0.82 | 80% | 0.801 | S | S | * | * | trans | -77.4 | 108.3 | 165.2 | -77.5 | -86.9 | 0 | 0 | 0 | 108.6 | V9 | V9-F11 HydrophobicContact CG1-CD2 4.43Å; V9-F11 HydrophobicContact CG1-CE2 4.3Å | ||
| 12 | C | 28.2 | Very low | 33.6 | Very low | 101 Ų | 101 | 147.1 Ų | 147.1 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -84.7 | 113.8 | 159.5 | -72.7 | 0 | 0 | 0 | 0 | 108.2 | I10 D14 | I10-C12 PolarHBondContact O-N 3.01Å; C12-D14 VanDerWaalsContact C-N 3.28Å; C12-D14 PolarHBondContact O-N 3.26Å | ||
| 13 | N | 31.1 | Very low | 33.6 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | -74.4 | 91.6 | 151.8 | -79.7 | -22.2 | 0 | 0 | 0 | 106.7 | ||||
| 14 | D | 33.9 | Very low | 33.2 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 69% | 0.69 | 77% | 0.774 | S | S | * | * | trans | -68.1 | 142.1 | 160.5 | -110.7 | -46 | 0 | 0 | 0 | 108.2 | C12 | C12-D14 VanDerWaalsContact C-N 3.28Å; C12-D14 PolarHBondContact O-N 3.26Å | ||
| 15 | S | 32.8 | Very low | 33.1 | Very low | 95 Ų | 95 | 148.8 Ų | 148.8 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | cis | -171.6 | 176.3 | 35 | -119.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 16 | P | 43.2 | Very low | 32.6 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | S | Bend | cis | -129.4 | 155.2 | -5.6 | 34.3 | -17.3 | 0 | 0 | 0 | 112.9 | ||
| 17 | K | 31.4 | Very low | 32.5 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 85% | 0.852 | 77% | 0.772 | S | S | * | * | trans | 179.2 | 119.8 | 134.8 | -93.5 | 152.3 | -165.9 | -173.6 | 0 | 110.3 | ||||
| 18 | R | 36.9 | Very low | 32.4 | Very low | 251 Ų | 251 | 145 Ų | 145 | 95% | 0.947 | 78% | 0.781 | S | S | * | * | trans | -26.7 | 130.8 | 177 | -68.2 | 173.5 | 170.9 | 174.3 | -4 | 115.5 | ||||
| 19 | V | 27.9 | Very low | 32.2 | Very low | 132 Ų | 132 | 144 Ų | 144 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | -135.1 | 121.2 | 158.2 | -177.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 20 | L | 30.2 | Very low | 32.2 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 90% | 0.895 | 79% | 0.79 | S | S | * | * | trans | -63.8 | 134.2 | 168.5 | -94.9 | 93 | 0 | 0 | 0 | 109.6 | ||||
| 21 | V | 28.1 | Very low | 31.9 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 78% | 0.776 | 80% | 0.795 | S | S | * | * | trans | -106 | 112.4 | 170.1 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 22 | S | 30.1 | Very low | 31.8 | Very low | 110 Ų | 110 | 150.8 Ų | 150.8 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | -85.4 | 126.6 | 164.9 | 25.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 23 | V | 30.9 | Very low | 31.9 | Very low | 118 Ų | 118 | 155.7 Ų | 155.7 | 72% | 0.715 | 81% | 0.811 | S | S | * | * | trans | -80.8 | 115.6 | -179 | 178.5 | 0 | 0 | 0 | 0 | 109.5 | K25 | V23-K25 HydrophobicContact CG1-CG 4.06Š| ||
| 24 | I | 31.1 | Very low | 31.8 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | -95.8 | 106.3 | 163.7 | -55.4 | 178 | 0 | 0 | 0 | 107.5 | T26 | I24-T26 HydrophobicContact CG2-CG2 4.14Š| ||
| 25 | K | 31.8 | Very low | 31.6 | Very low | 189 Ų | 189 | 156.1 Ų | 156.1 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -80.2 | 122.5 | 166.7 | -74.6 | 178.2 | 178.5 | 174 | 0 | 108.3 | V23 | V23-K25 HydrophobicContact CG1-CG 4.06Š| ||
| 26 | T | 31.2 | Very low | 31.5 | Very low | 128 Ų | 128 | 156.5 Ų | 156.5 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -117 | 121.9 | 162.3 | 52.5 | 0 | 0 | 0 | 0 | 109.9 | I24 | I24-T26 HydrophobicContact CG2-CG2 4.14Š| ||
| 27 | T | 34 | Very low | 30.9 | Very low | 127 Ų | 127 | 159.4 Ų | 159.4 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 149.1 | 175.7 | 46.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 28 | P | 32.3 | Very low | 30.8 | Very low | 128 Ų | 128 | 158 Ų | 158 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 141.2 | -175.5 | 33 | -32.2 | 0 | 0 | 0 | 113.2 | ||
| 29 | I | 32.6 | Very low | 30.3 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 130.1 | 172.9 | -60.5 | 171.7 | 0 | 0 | 0 | 108.8 | ||
| 30 | K | 30.9 | Very low | 30.2 | Very low | 198 Ų | 198 | 151 Ų | 151 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 143.7 | 178 | -73.1 | 175.6 | 177.6 | 173.3 | 0 | 112.2 | ||
| 31 | P | 31.5 | Very low | 30.1 | Very low | 128 Ų | 128 | 147.9 Ų | 147.9 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 146.9 | 168.2 | 32.4 | -30.3 | 0 | 0 | 0 | 113.1 | ||
| 32 | R | 26.7 | Very low | 30.9 | Very low | 254 Ų | 254 | 147.8 Ų | 147.8 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -84 | 152.6 | 175.8 | -96.5 | 177.8 | 153.2 | -173.7 | -6.7 | 111.8 | ||
| 33 | K | 30.5 | Very low | 30.8 | Very low | 203 Ų | 203 | 146.4 Ų | 146.4 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 139 | -176.3 | -63.7 | 174.9 | 176.8 | 179.7 | 0 | 112.7 | ||
| 34 | N | 30.6 | Very low | 30.6 | Very low | 136 Ų | 136 | 150.6 Ų | 150.6 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | trans | 168.4 | 144.5 | 140.7 | 58.1 | -23.2 | 0 | 0 | 0 | 106.2 | ||||
| 35 | E | 29.5 | Very low | 30.5 | Very low | 170 Ų | 170 | 147.8 Ų | 147.8 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | cis | -163.1 | -178.8 | 30.9 | -130.3 | 148.8 | -128.6 | 0 | 0 | 109.6 | ||||
| 36 | S | 30.5 | Very low | 30.4 | Very low | 103 Ų | 103 | 146 Ų | 146 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | trans | -72.6 | 139.9 | -151.8 | 46.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 37 | L | 30 | Very low | 30.4 | Very low | 160 Ų | 160 | 150 Ų | 150 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | 12.3 | 124.5 | 129.6 | -61.5 | 167.7 | 0 | 0 | 0 | 119.8 | |||||
| 38 | I | 28.4 | Very low | 30.2 | Very low | 167 Ų | 167 | 151.8 Ų | 151.8 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | -141.9 | 128.4 | 128.3 | -56.1 | -176.8 | 0 | 0 | 0 | 108.2 | |||||
| 39 | A | 26.9 | Very low | 30.3 | Very low | 93 Ų | 93 | 152.2 Ų | 152.2 | 77% | 0.769 | 82% | 0.823 | S | S | * | * | trans | -106.2 | 131.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 40 | T | 25.6 | Very low | 30 | Very low | 142 Ų | 142 | 153.8 Ų | 153.8 | 87% | 0.871 | 82% | 0.82 | S | S | * | * | trans | -147.5 | 133.7 | 156.7 | -17 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 41 | S | 29.8 | Very low | 30.3 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | trans | -138 | 168.5 | -178.3 | -172.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 42 | P | 44.9 | Very low | 30.2 | Very low | 126 Ų | 126 | 155.6 Ų | 155.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | cis | -123.3 | 165.2 | -33.3 | 22.4 | -1.8 | 0 | 0 | 0 | 112.1 | ||||
| 43 | G | 27 | Very low | 30.4 | Very low | 80 Ų | 80 | 153.7 Ų | 153.7 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -151.6 | 132 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 44 | F | 26.6 | Very low | 30.3 | Very low | 206 Ų | 206 | 156.5 Ų | 156.5 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | trans | -75.7 | 162.8 | -166 | -124.8 | -109.7 | 0 | 0 | 0 | 114.5 | ||||
| 45 | S | 30.1 | Very low | 30.3 | Very low | 91 Ų | 91 | 153.1 Ų | 153.1 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | trans | 60.6 | 110 | 161.8 | 61.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 46 | D | 29 | Very low | 30.4 | Very low | 153 Ų | 153 | 153.9 Ų | 153.9 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | -178.9 | 146 | 96.1 | -97.2 | -26.4 | 0 | 0 | 0 | 112.5 | M48 | D46-M48 PolarHBondContact O-N 2.99Š| |||
| 47 | F | 31.2 | Very low | 30.4 | Very low | 210 Ų | 210 | 157.1 Ų | 157.1 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | -54.9 | 123.7 | 169.4 | -94 | -106.4 | 0 | 0 | 0 | 110.7 | ||||
| 48 | M | 30 | Very low | 30.3 | Very low | 165 Ų | 165 | 153.4 Ų | 153.4 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | trans | -140.6 | 127 | 155 | -82.9 | -139.2 | -123.4 | 0 | 0 | 113.3 | D46 | D46-M48 PolarHBondContact O-N 2.99Š| ||
| 49 | V | 34.1 | Very low | 30.5 | Very low | 137 Ų | 137 | 155 Ų | 155 | 83% | 0.83 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -59 | 125.7 | 158.5 | 172.1 | 0 | 0 | 0 | 0 | 108.6 | P51 | V49-P51 WeakPolarHBondContact O-CD 3.34Š|
| 50 | Y | 27 | Very low | 30.6 | Very low | 201 Ų | 201 | 157.2 Ų | 157.2 | 79% | 0.788 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 121.6 | 170.9 | -80.8 | -81.8 | 0 | 0 | 0 | 111.5 | ||
| 51 | P | 35.7 | Very low | 30.7 | Very low | 110 Ų | 110 | 157.4 Ų | 157.4 | 71% | 0.714 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 135.9 | 156 | 31.5 | -27.7 | 0 | 0 | 0 | 110.1 | V49 | V49-P51 WeakPolarHBondContact O-CD 3.34Š|
| 52 | W | 31.1 | Very low | 30.6 | Very low | 254 Ų | 254 | 157 Ų | 157 | 96% | 0.962 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 124.4 | 176 | -71.5 | 27.5 | 0 | 0 | 0 | 109.9 | ||
| 53 | K | 29.7 | Very low | 29.6 | Very low | 213 Ų | 213 | 158.6 Ų | 158.6 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | trans | -112.6 | 138.7 | 171.8 | -100 | -169 | 177.1 | -175.2 | 0 | 110.4 | ||||
| 54 | W | 29.1 | Very low | 29.7 | Very low | 263 Ų | 263 | 159.9 Ų | 159.9 | 100% | 0.996 | 82% | 0.822 | S | S | * | * | trans | -148.4 | 137.7 | 157.1 | -159.7 | -0.7 | 0 | 0 | 0 | 104.1 | ||||
| 55 | G | 29.8 | Very low | 30.5 | Very low | 64 Ų | 64 | 156.3 Ų | 156.3 | 66% | 0.66 | 82% | 0.82 | S | S | * | * | cis | -164.2 | 159.1 | -4.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 56 | E | 31.5 | Very low | 30.2 | Very low | 187 Ų | 187 | 155.7 Ų | 155.7 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -70.7 | 146.9 | -169.2 | -64.7 | 156.7 | 149.6 | 0 | 0 | 113.5 | ||||
| 57 | N | 29.9 | Very low | 30 | Very low | 170 Ų | 170 | 153.3 Ų | 153.3 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | trans | -146.8 | 104.5 | 140.3 | -93.9 | -20 | 0 | 0 | 0 | 107.2 | ||||
| 58 | A | 29.4 | Very low | 29.9 | Very low | 83 Ų | 83 | 148.9 Ų | 148.9 | 69% | 0.686 | 81% | 0.813 | S | S | * | * | trans | -80.8 | 134.9 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 59 | H | 32.6 | Very low | 29.9 | Very low | 201 Ų | 201 | 148.4 Ų | 148.4 | 93% | 0.931 | 81% | 0.814 | S | S | * | * | -155.6 | 130.4 | 128.9 | -89.4 | -68.1 | 0 | 0 | 0 | 109 | |||||
| 60 | N | 29.3 | Very low | 29.6 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 74% | 0.743 | 81% | 0.81 | S | S | * | * | trans | -84 | 133.5 | -170.8 | 172 | 18.7 | 0 | 0 | 0 | 110.8 | ||||
| 61 | V | 27.7 | Very low | 29.5 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 88% | 0.879 | 82% | 0.817 | S | S | * | * | trans | -148.4 | 117.3 | 136.2 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 62 | S | 26 | Very low | 29.1 | Very low | 100 Ų | 100 | 140.7 Ų | 140.7 | 70% | 0.699 | 82% | 0.822 | S | S | * | * | trans | -72.9 | 148.4 | 176.4 | -172.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 63 | L | 24.5 | Very low | 28.8 | Very low | 159 Ų | 159 | 134 Ų | 134 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | -109.7 | 149.3 | 170.5 | -85.2 | 170.5 | 0 | 0 | 0 | 111.5 | ||||
| 64 | S | 29.1 | Very low | 29.6 | Very low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | 96 | 155.4 | 155.4 | -48.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 65 | P | 42.7 | Very low | 29.6 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | cis | -142.9 | 177.3 | -22.2 | 28.4 | -5.6 | 0 | 0 | 0 | 116.2 | ||||
| 66 | G | 25 | Very low | 29.5 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 108.3 | 148.7 | 158.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 67 | S | 24.9 | Very low | 29.5 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | cis | -175.8 | 151.7 | -4.2 | -172.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 68 | V | 29 | Very low | 29.5 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 70% | 0.703 | 80% | 0.798 | S | S | * | * | trans | 66 | 144.4 | 153.3 | -66.3 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 69 | N | 30.5 | Very low | 29.5 | Very low | 156 Ų | 156 | 123.5 Ų | 123.5 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | 87.8 | 132.1 | 162.2 | -50.4 | -34 | 0 | 0 | 0 | 115.9 | ||||
| 70 | G | 26.3 | Very low | 29.3 | Very low | 73 Ų | 73 | 118.7 Ų | 118.7 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | cis | 126.6 | 110.5 | 12.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 71 | A | 26 | Very low | 29.4 | Very low | 113 Ų | 113 | 118 Ų | 118 | 93% | 0.934 | 81% | 0.807 | S | S | * | * | trans | 85.6 | 142.7 | 155 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 72 | A | 26.6 | Very low | 29.6 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | trans | 98.4 | 98.1 | 148.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 73 | S | 24.4 | Very low | 29.8 | Very low | 114 Ų | 114 | 120.5 Ų | 120.5 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -61.5 | -172.7 | 142.7 | -120.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 74 | P | 48.3 | Very low | 30 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | cis | -136.3 | -176.9 | -22.6 | 33.6 | -13.1 | 0 | 0 | 0 | 112.2 | ||||
| 75 | T | 28.9 | Very low | 30.2 | Very low | 149 Ų | 149 | 122.1 Ų | 122.1 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -170.2 | 122.5 | 137.1 | 17.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 76 | G | 27.8 | Very low | 29.6 | Very low | 69 Ų | 69 | 119.6 Ų | 119.6 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -101.6 | 176.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 77 | T | 30.1 | Very low | 29.8 | Very low | 144 Ų | 144 | 120.5 Ų | 120.5 | 88% | 0.883 | 81% | 0.81 | S | S | * | * | trans | -153.5 | 138.2 | 144.4 | 43.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 78 | N | 30.1 | Very low | 30.2 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | trans | -75.4 | 163.5 | -174.8 | -57.5 | -60.9 | 0 | 0 | 0 | 113.9 | ||||
| 79 | T | 30.1 | Very low | 30.8 | Very low | 137 Ų | 137 | 123.8 Ų | 123.8 | 84% | 0.84 | 82% | 0.82 | S | S | * | * | 173.7 | 103.9 | 121.9 | 45.7 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 80 | A | 27.3 | Very low | 31.3 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | 73.9 | 106.3 | 76.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 81 | S | 32 | Very low | 32 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 88% | 0.881 | 82% | 0.817 | S | S | * | * | 178.6 | 126.2 | 126 | 59.1 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 82 | E | 32.6 | Very low | 32.8 | Very low | 196 Ų | 196 | 131.5 Ų | 131.5 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -88.5 | 161.2 | 176.5 | -62.7 | 170.2 | 127.7 | 0 | 0 | 112.8 | ||||
| 83 | A | 30.4 | Very low | 33.5 | Very low | 100 Ų | 100 | 136 Ų | 136 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | 149.5 | 140.9 | 151.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 84 | D | 28.1 | Very low | 34.4 | Very low | 134 Ų | 134 | 137.2 Ų | 137.2 | 72% | 0.717 | 82% | 0.817 | S | S | * | * | cis | -168.2 | 160.7 | -7.7 | -157.6 | 8.6 | 0 | 0 | 0 | 109 | ||||
| 85 | M | 34.3 | Very low | 34.2 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | 9.4 | 134.2 | 170.6 | -42.7 | -145.6 | -166.1 | 0 | 0 | 125.7 | ||||
| 86 | G | 28.6 | Very low | 34.8 | Very low | 78 Ų | 78 | 140.7 Ų | 140.7 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | 105.3 | 109.9 | 110.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 87 | A | 29.9 | Very low | 35.6 | Very low | 97 Ų | 97 | 145 Ų | 145 | 80% | 0.802 | 83% | 0.827 | S | S | * | * | 167.1 | 130.5 | 126.9 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 88 | S | 32.1 | Very low | 36 | Very low | 122 Ų | 122 | 144.7 Ų | 144.7 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | 77.4 | 108.3 | 142.4 | -59.5 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 89 | H | 41.9 | Very low | 36.5 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -48.4 | 121 | 148.9 | -179.3 | -86.2 | 0 | 0 | 0 | 113.1 | ||||
| 90 | D | 42.1 | Very low | 37.3 | Very low | 126 Ų | 126 | 142.7 Ų | 142.7 | 67% | 0.674 | 82% | 0.815 | S | S | * | * | trans | 162.1 | 124.7 | 130.7 | -111.4 | -66.7 | 0 | 0 | 0 | 109.1 | ||||
| 91 | Q | 40.7 | Very low | 38.2 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | 147.5 | 95.4 | 153.2 | -82.9 | 166 | 31.6 | 0 | 0 | 110.8 | ||||
| 92 | M | 41.8 | Very low | 38.9 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 96% | 0.961 | 82% | 0.816 | S | S | * | * | trans | -157.5 | 60.2 | 152.3 | -112.4 | 177.7 | 178.3 | 0 | 0 | 110 | ||||
| 93 | K | 42 | Very low | 39.4 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -134.2 | 143.8 | 149.7 | -73.6 | -173.6 | -180 | 176.4 | 0 | 105.5 | ||
| 94 | D | 43.3 | Very low | 40 | Very low | 140 Ų | 140 | 154.4 Ų | 154.4 | 75% | 0.749 | 81% | 0.811 | S | S | * | * | trans | 92.7 | 65.7 | -176.8 | -44.5 | -21.3 | 0 | 0 | 0 | 114.8 | ||||
| 95 | S | 43.3 | Very low | 40.7 | Very low | 134 Ų | 134 | 151.8 Ų | 151.8 | 94% | 0.937 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -132.1 | 23.2 | 157.2 | -74.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 96 | K | 42.5 | Very low | 41.1 | Very low | 195 Ų | 195 | 153.8 Ų | 153.8 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -115.1 | -9.8 | 176.9 | -155.1 | 167.5 | -177.8 | 176.2 | 0 | 114.8 | ||
| 97 | E | 43.9 | Very low | 42.1 | Very low | 158 Ų | 158 | 153.7 Ų | 153.7 | 74% | 0.738 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -105.4 | -7.3 | -173.4 | -67.6 | -166.2 | 130.6 | 0 | 0 | 115.8 | ||
| 98 | D | 39 | Very low | 42.7 | Very low | 138 Ų | 138 | 154.2 Ų | 154.2 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -92.5 | 6.5 | -179.8 | -88.7 | -37.7 | 0 | 0 | 0 | 115.9 | I100 | D98-I100 VanDerWaalsContact C-N 3.34Š|
| 99 | A | 40.1 | Very low | 43.3 | Very low | 93 Ų | 93 | 151.4 Ų | 151.4 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -83.3 | -5.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 100 | I | 47.2 | Very low | 43.6 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 80% | 0.795 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -98.4 | 4.2 | -172.1 | -55.5 | 177.9 | 0 | 0 | 0 | 112.7 | D98 | D98-I100 VanDerWaalsContact C-N 3.34Š|
| 101 | R | 45.8 | Very low | 44.1 | Very low | 217 Ų | 217 | 150.8 Ų | 150.8 | 82% | 0.819 | 75% | 0.749 | S | S | * | * | trans | -115.5 | 26.9 | -176.5 | -136.3 | -173.8 | -72.9 | -178.1 | 0.3 | 115.9 | ||||
| 102 | R | 47 | Very low | 44.2 | Very low | 242 Ų | 242 | 149.7 Ų | 149.7 | 91% | 0.913 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -107.2 | 108.2 | 160.9 | -63.2 | -167.7 | -153.3 | 179.2 | 8 | 109.3 | ||
| 103 | G | 44.1 | Very low | 44.6 | Very low | 71 Ų | 71 | 147.5 Ų | 147.5 | 73% | 0.732 | 74% | 0.735 | S | S | * | * | trans | -51.4 | 143.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 104 | R | 41.3 | Very low | 45.2 | Very low | 239 Ų | 239 | 142.4 Ų | 142.4 | 90% | 0.902 | 72% | 0.716 | S | S | * | * | trans | -45.2 | 120.6 | 169.3 | -169.3 | -178 | -141.4 | -121.5 | 3.8 | 109.5 | R106 | R104-R106 PolarHBondContact O-N 3.38Š| ||
| 105 | P | 43.7 | Very low | 45.7 | Very low | 78 Ų | 78 | 142 Ų | 142 | 51% | 0.506 | 71% | 0.714 | S | S | . | * | trans | -58.2 | 136.8 | 179.4 | 13.5 | -22.4 | 0 | 0 | 0 | 110.6 | T109 | P105-T109 WeakPolarHBondContact CB-OG1 3.38Š| ||
| 106 | R | 42.6 | Very low | 46.1 | Very low | 208 Ų | 208 | 144.8 Ų | 144.8 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | trans | -55.3 | 137.3 | 172.8 | -149.6 | 163.2 | 167.8 | 144.5 | -5.1 | 107.2 | R104 D108 T109 | R104-R106 PolarHBondContact O-N 3.38Å; R106-D108 PolarHBondContact O-N 3.43Å; R106-T109 PolarHBondContact O-N 3.45Å; R106-T109 PolarHBondContact O-OG1 3.21Å; R106-T109 VanDerWaalsContact O-OG1 3.05Å | ||
| 107 | A | 48.9 | Very low | 46.3 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.5 | -13.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 108 | D | 43.9 | Very low | 46.8 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 57% | 0.572 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -32.5 | 177.2 | -53.4 | -45.1 | 0 | 0 | 0 | 113.3 | R106 V110 R111 | R106-D108 PolarHBondContact O-N 3.43Å; D108-V110 VanDerWaalsContact C-N 3.28Å; D108-V110 PolarHBondContact O-N 2.91Å; D108-R111 PolarHBondContact O-N 3.43Å |
| 109 | T | 43.1 | Very low | 47.1 | Very low | 64 Ų | 64 | 139.9 Ų | 139.9 | 39% | 0.393 | 72% | 0.721 | S | S | . | * | G | 310 helix | trans | -79.8 | -8.5 | 177.7 | 55.5 | 0 | 0 | 0 | 0 | 113.5 | P105 R106 R111 E112 | P105-T109 WeakPolarHBondContact CB-OG1 3.38Å; R106-T109 PolarHBondContact O-N 3.45Å; R106-T109 PolarHBondContact O-OG1 3.21Å; R106-T109 VanDerWaalsContact O-OG1 3.05Å; T109-R111 PolarHBondContact O-N 3.38Å; T109-E112 PolarHBondContact O-N 3.11Å |
| 110 | V | 50 | Low | 47.8 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 50% | 0.497 | 73% | 0.727 | S | S | . | * | G | 310 helix | trans | -68.9 | -17 | 170.8 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | D108 I114 | D108-V110 VanDerWaalsContact C-N 3.28Å; D108-V110 PolarHBondContact O-N 2.91Å; V110-I114 WeakPolarHBondContact O-CD1 3.47Å; V110-I114 WeakPolarHBondContact O-CG1 3.3Å |
| 111 | R | 51.8 | Low | 48.4 | Very low | 198 Ų | 198 | 137.6 Ų | 137.6 | 75% | 0.747 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -75.7 | -25.4 | 175.9 | -80.9 | -172.2 | 174.3 | 93.3 | -2.6 | 114 | D108 T109 | D108-R111 PolarHBondContact O-N 3.43Å; T109-R111 PolarHBondContact O-N 3.38Å |
| 112 | E | 43.3 | Very low | 49.6 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 74% | 0.743 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -24.9 | -167.7 | -145.1 | 159.9 | -153.3 | 0 | 0 | 112.9 | T109 I114 | T109-E112 PolarHBondContact O-N 3.11Å; E112-I114 VanDerWaalsContact C-N 3.34Å; E112-I114 PolarHBondContact O-N 2.75Å |
| 113 | L | 49 | Very low | 51.2 | Low | 149 Ų | 149 | 126.4 Ų | 126.4 | 78% | 0.78 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | 12.1 | -178.8 | -65.5 | 173 | 0 | 0 | 0 | 114.9 | ||
| 114 | I | 56.3 | Low | 53.2 | Low | 87 Ų | 87 | 125.3 Ų | 125.3 | 45% | 0.446 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.3 | 25.1 | 178.6 | -21.4 | 172.5 | 0 | 0 | 0 | 114.2 | V110 E112 R123 | V110-I114 WeakPolarHBondContact O-CD1 3.47Å; V110-I114 WeakPolarHBondContact O-CG1 3.3Å; E112-I114 VanDerWaalsContact C-N 3.34Å; E112-I114 PolarHBondContact O-N 2.75Å; I114-R123 VanDerWaalsContact CB-NH2 3.33Å |
| 115 | N | 52.5 | Low | 55.5 | Low | 130 Ų | 130 | 121.7 Ų | 121.7 | 70% | 0.695 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -112.3 | 3 | -179.9 | -76.4 | -15.6 | 0 | 0 | 0 | 115.3 | ||
| 116 | E | 51.1 | Low | 57.8 | Low | 194 Ų | 194 | 118 Ų | 118 | 91% | 0.907 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -134.1 | 102.9 | 175.9 | -63.1 | -175.2 | -177.7 | 0 | 0 | 109.2 | ||
| 117 | G | 48.3 | Very low | 59.9 | Low | 79 Ų | 79 | 114.1 Ų | 114.1 | 81% | 0.814 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 138.2 | 109.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S119 | G117-S119 PolarHBondContact O-N 3.22Š|
| 118 | E | 53.5 | Low | 61.8 | Low | 197 Ų | 197 | 115.4 Ų | 115.4 | 92% | 0.921 | 61% | 0.613 | S | S | * | * | trans | -57.7 | 117.5 | -173.8 | -62.6 | 159.4 | 141.7 | 0 | 0 | 113.4 | ||||
| 119 | S | 44.7 | Very low | 64 | Low | 111 Ų | 111 | 112.6 Ų | 112.6 | 78% | 0.776 | 60% | 0.602 | S | S | * | * | trans | -154.6 | 114.3 | 137.5 | -97.3 | 0 | 0 | 0 | 0 | 107.5 | G117 S121 | G117-S119 PolarHBondContact O-N 3.22Å; S119-S121 PolarHBondContact O-N 2.83Å | ||
| 120 | S | 54.8 | Low | 66.1 | Low | 127 Ų | 127 | 114.5 Ų | 114.5 | 89% | 0.888 | 61% | 0.609 | S | S | * | * | trans | -59.1 | 74.4 | 170.7 | -177.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 121 | S | 59.8 | Low | 67.9 | Low | 73 Ų | 73 | 118.6 Ų | 118.6 | 51% | 0.51 | 62% | 0.616 | S | S | . | * | trans | -109 | 88.2 | 159.2 | -172.4 | 0 | 0 | 0 | 0 | 104.9 | S119 R123 | S119-S121 PolarHBondContact O-N 2.83Å; S121-R123 PolarHBondContact O-N 3.4Å | ||
| 122 | S | 71.7 | Confident | 69.6 | Low | 85 Ų | 85 | 112.9 Ų | 112.9 | 59% | 0.594 | 60% | 0.603 | S | S | * | * | trans | -50.1 | 104.9 | 177.1 | -47.6 | 0 | 0 | 0 | 0 | 108.4 | I124 | S122-I124 WeakPolarHBondContact O-CG1 3.34Å; S122-I124 PolarHBondContact O-N 2.95Å | ||
| 123 | R | 80.8 | Confident | 71.8 | Confident | 139 Ų | 139 | 107 Ų | 107 | 53% | 0.525 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 116.8 | 172 | -75.4 | -174.8 | -163.6 | 126.9 | 15.8 | 107.1 | I114 S121 V132 | I114-R123 VanDerWaalsContact CB-NH2 3.33Å; S121-R123 PolarHBondContact O-N 3.4Å; R123-V132 HydrophobicContact CB-CG1 3.61Å; R123-V132 HydrophobicContact CG-CG1 4.16Å |
| 124 | I | 85.9 | Confident | 73.6 | Confident | 48 Ų | 48 | 103.5 Ų | 103.5 | 25% | 0.246 | 56% | 0.561 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.5 | -172.6 | -37.4 | -175 | 0 | 0 | 0 | 109.2 | S122 F133 E136 L139 | S122-I124 WeakPolarHBondContact O-CG1 3.34Å; S122-I124 PolarHBondContact O-N 2.95Å; I124-F133 PolarHBondContact N-O 3.41Å; I124-F133 PolarHBondContact O-N 3.34Å; I124-E136 HydrophobicContact CD1-CB 3.73Å; I124-E136 WeakPolarHBondContact CD1-OE2 3.34Å; I124-L139 HydrophobicContact CB-CD2 4.04Å; I124-L139 HydrophobicContact CG2-CD2 3.37Å |
| 125 | R | 90.3 | Very high | 75 | Confident | 164 Ų | 164 | 107.7 Ų | 107.7 | 62% | 0.619 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96.6 | 140.1 | -175.1 | -173.9 | -176.6 | -68 | 180 | 0.4 | 111.3 | N130 R131 V132 | R125-N130 HydrophobicContact CG-CB 4.49Å; R125-R131 CarbonylContact C-O 3.52Å; R125-R131 WeakPolarHBondContact CA-O 3.45Å; R125-V132 HydrophobicContact CG-CG2 4.43Å |
| 126 | C | 90.6 | Very high | 76.7 | Confident | 0 Ų | 0 | 105.2 Ų | 105.2 | 0% | 0 | 56% | 0.556 | C | S | . | * | P | Polyproline II helix | trans | -73.1 | 127.1 | 167.4 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | I128 N130 R131 F133 L139 H142 | C126-I128 VanDerWaalsContact C-N 3.26Å; C126-I128 PolarHBondContact O-N 2.99Å; C126-I128 PolarHBondContact SG-N 3.49Å; C126-I128 VanDerWaalsContact SG-N 3.42Å; C126-N130 WeakPolarHBondContact O-CA 3.47Å; C126-N130 PolarHBondContact O-N 3.18Å; C126-R131 PolarHBondContact N-O 3.4Å; C126-F133 HydrophobicContact CB-CE2 4.2Å; C126-L139 HydrophobicContact CB-CD1 3.65Å; C126-H142 PolarHBondContact SG-NE2 3.47Å; C126-H142 VanDerWaalsContact SG-NE2 3.42Å |
| 127 | N | 87.2 | Confident | 78.4 | Confident | 127 Ų | 127 | 104.9 Ų | 104.9 | 68% | 0.679 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -15.2 | 177.8 | 61.2 | -29.9 | 0 | 0 | 0 | 114.3 | ||
| 128 | I | 89.1 | Confident | 80.2 | Confident | 103 Ų | 103 | 103.2 Ų | 103.2 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -47.3 | -178.7 | -58.9 | 169.4 | 0 | 0 | 0 | 111.2 | C126 H146 | C126-I128 VanDerWaalsContact C-N 3.26Å; C126-I128 PolarHBondContact O-N 2.99Å; C126-I128 PolarHBondContact SG-N 3.49Å; C126-I128 VanDerWaalsContact SG-N 3.42Å; I128-H146 HydrophobicContact CD1-CB 3.58Å |
| 129 | C | 90.3 | Very high | 81.9 | Confident | 49 Ų | 49 | 94 Ų | 94 | 33% | 0.331 | 48% | 0.484 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.2 | 12.9 | -173.9 | 77.2 | 0 | 0 | 0 | 0 | 114.3 | R131 H142 | C129-R131 PolarHBondContact O-N 3.23Å; C129-H142 VanDerWaalsContact SG-CE1 3.55Å; C129-H142 PolarHBondContact SG-NE2 2.92Å |
| 130 | N | 86.6 | Confident | 83.9 | Confident | 103 Ų | 103 | 92.5 Ų | 92.5 | 55% | 0.551 | 47% | 0.465 | S | S | * | . | trans | 55.3 | 13.8 | 176.2 | -67.3 | -43.8 | 0 | 0 | 0 | 116.4 | R125 C126 | R125-N130 HydrophobicContact CG-CB 4.49Å; C126-N130 WeakPolarHBondContact O-CA 3.47Å; C126-N130 PolarHBondContact O-N 3.18Å | ||
| 131 | R | 87.5 | Confident | 85.5 | Confident | 169 Ų | 169 | 86.8 Ų | 86.8 | 64% | 0.638 | 43% | 0.425 | S | S | * | . | trans | -67.6 | 137.1 | 173.4 | -76.6 | -174.4 | -178.6 | -142.8 | 1.8 | 110.1 | R125 C126 C129 F133 | R125-R131 CarbonylContact C-O 3.52Å; R125-R131 WeakPolarHBondContact CA-O 3.45Å; C126-R131 PolarHBondContact N-O 3.4Å; C129-R131 PolarHBondContact O-N 3.23Å; R131-F133 HydrophobicContact CB-CE2 3.6Å; R131-F133 HydrophobicContact CB-CZ 3.83Å; R131-F133 WeakPolarHBondContact O-CD2 3.11Å; R131-F133 WeakPolarHBondContact O-CE2 3.26Å | ||
| 132 | V | 88.9 | Confident | 86.8 | Confident | 77 Ų | 77 | 84.5 Ų | 84.5 | 47% | 0.467 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 131.9 | -178 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | R123 R125 | R123-V132 HydrophobicContact CB-CG1 3.61Å; R123-V132 HydrophobicContact CG-CG1 4.16Å; R125-V132 HydrophobicContact CG-CG2 4.43Å |
| 133 | F | 89.2 | Confident | 87.6 | Confident | 37 Ų | 37 | 83.5 Ų | 83.5 | 16% | 0.162 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142.9 | -178.8 | -62.8 | -87.5 | 0 | 0 | 0 | 110.2 | I124 C126 R131 R135 L139 H142 | I124-F133 PolarHBondContact N-O 3.41Å; I124-F133 PolarHBondContact O-N 3.34Å; C126-F133 HydrophobicContact CB-CE2 4.2Å; R131-F133 HydrophobicContact CB-CE2 3.6Å; R131-F133 HydrophobicContact CB-CZ 3.83Å; R131-F133 WeakPolarHBondContact O-CD2 3.11Å; R131-F133 WeakPolarHBondContact O-CE2 3.26Å; F133-R135 VanDerWaalsContact C-N 3.26Å; F133-R135 PolarHBondContact O-N 3.32Å; F133-L139 HydrophobicContact CB-CB 4.24Å; F133-L139 HydrophobicContact CD2-CB 4.14Å; F133-L139 HydrophobicContact CD2-CD1 3.68Å; F133-L139 HydrophobicContact CE2-CD1 3.95Å; F133-L139 HydrophobicContact CG-CB 4.29Å; F133-H142 HydrophobicContact CE1-CB 3.85Å; F133-H142 HydrophobicContact CE2-CB 3.97Å; F133-H142 AromaticContact CE2-CD2 3.34Å; F133-H142 WeakPolarHBondContact CE2-CD2 3.45Å; F133-H142 AromaticContact CE2-CG 3.65Å; F133-H142 HydrophobicContact CZ-CB 3.45Å; F133-H142 VanDerWaalsContact CZ-CB 3.45Å; F133-H142 AromaticContact CZ-CD2 3.4Å; F133-H142 WeakPolarHBondContact CZ-CD2 3.31Å; F133-H142 AromaticContact CZ-CG 3.21Å; F133-H142 AromaticContact CZ-ND1 3.77Å |
| 134 | P | 86.1 | Confident | 87.9 | Confident | 74 Ų | 74 | 80.2 Ų | 80.2 | 48% | 0.481 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -77.7 | -9.8 | 179.1 | 31 | -35.7 | 0 | 0 | 0 | 113.5 | ||
| 135 | R | 86.9 | Confident | 87.9 | Confident | 175 Ų | 175 | 82.1 Ų | 82.1 | 66% | 0.66 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -147.3 | 145.8 | -174.5 | -59.1 | -178.5 | -167.7 | 130.1 | 2 | 111.2 | F133 K137 S138 L139 | F133-R135 VanDerWaalsContact C-N 3.26Å; F133-R135 PolarHBondContact O-N 3.32Å; R135-K137 PolarHBondContact O-N 3.26Å; R135-S138 WeakPolarHBondContact O-CB 3.34Å; R135-S138 PolarHBondContact O-N 3.31Å; R135-S138 VanDerWaalsContact O-N 3.16Å; R135-L139 PolarHBondContact O-N 3.1Å; R135-L139 VanDerWaalsContact O-N 3.17Å |
| 136 | E | 87.1 | Confident | 87.7 | Confident | 79 Ų | 79 | 77.8 Ų | 77.8 | 37% | 0.369 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 177.8 | -175.1 | 56.3 | -150.4 | 0 | 0 | 112.3 | I124 S138 L139 Q140 | I124-E136 HydrophobicContact CD1-CB 3.73Å; I124-E136 WeakPolarHBondContact CD1-OE2 3.34Å; E136-S138 PolarHBondContact O-N 2.89Å; E136-L139 CarbonylContact O-C 3.59Å; E136-L139 WeakPolarHBondContact O-CB 3.45Å; E136-L139 PolarHBondContact O-N 2.98Å; E136-Q140 HydrophobicContact CG-CG 4.2Å; E136-Q140 WeakPolarHBondContact O-CG 3.22Å; E136-Q140 PolarHBondContact O-N 3.01Å; E136-Q140 WeakPolarHBondContact OE1-CG 3.36Å; E136-Q140 PolarHBondContact OE1-NE2 3.24Å |
| 137 | K | 86.1 | Confident | 87.4 | Confident | 187 Ų | 187 | 82 Ų | 82 | 81% | 0.813 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -55.9 | -36.9 | 176.8 | -67.3 | -175.1 | 179.6 | 180 | 0 | 112.4 | R135 A141 | R135-K137 PolarHBondContact O-N 3.26Å; K137-A141 WeakPolarHBondContact O-CB 3.46Å; K137-A141 PolarHBondContact O-N 3.47Å |
| 138 | S | 87.7 | Confident | 87.3 | Confident | 44 Ų | 44 | 78.4 Ų | 78.4 | 31% | 0.308 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -71.6 | -40.3 | 177.3 | -57 | 0 | 0 | 0 | 0 | 111.6 | R135 E136 H142 | R135-S138 WeakPolarHBondContact O-CB 3.34Å; R135-S138 PolarHBondContact O-N 3.31Å; R135-S138 VanDerWaalsContact O-N 3.16Å; E136-S138 PolarHBondContact O-N 2.89Å; S138-H142 WeakPolarHBondContact O-CB 3.3Å; S138-H142 PolarHBondContact O-N 2.93Å |
| 139 | L | 88.6 | Confident | 87.2 | Confident | 4 Ų | 4 | 79 Ų | 79 | 2% | 0.021 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 174.3 | 175.4 | 63.6 | 0 | 0 | 0 | 111.5 | I124 C126 F133 R135 E136 H142 K143 | I124-L139 HydrophobicContact CB-CD2 4.04Å; I124-L139 HydrophobicContact CG2-CD2 3.37Å; C126-L139 HydrophobicContact CB-CD1 3.65Å; F133-L139 HydrophobicContact CB-CB 4.24Å; F133-L139 HydrophobicContact CD2-CB 4.14Å; F133-L139 HydrophobicContact CD2-CD1 3.68Å; F133-L139 HydrophobicContact CE2-CD1 3.95Å; F133-L139 HydrophobicContact CG-CB 4.29Å; R135-L139 PolarHBondContact O-N 3.1Å; R135-L139 VanDerWaalsContact O-N 3.17Å; E136-L139 CarbonylContact O-C 3.59Å; E136-L139 WeakPolarHBondContact O-CB 3.45Å; E136-L139 PolarHBondContact O-N 2.98Å; L139-H142 CarbonylContact O-C 3.59Å; L139-H142 WeakPolarHBondContact O-CA 3.3Å; L139-H142 WeakPolarHBondContact O-CB 3.49Å; L139-H142 PolarHBondContact O-N 3.48Å; L139-H142 VanDerWaalsContact O-N 3.1Å; L139-K143 HydrophobicContact CD1-CG 4.38Å; L139-K143 HydrophobicContact CG-CD 4.45Å; L139-K143 HydrophobicContact CG-CG 4.49Å; L139-K143 WeakPolarHBondContact O-CG 3.31Å; L139-K143 PolarHBondContact O-N 3.42Å |
| 140 | Q | 87.1 | Confident | 87 | Confident | 78 Ų | 78 | 83.7 Ų | 83.7 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.4 | -45.6 | 178 | -70.9 | -64.9 | -26.1 | 0 | 0 | 111.8 | E136 H142 K143 R144 | E136-Q140 HydrophobicContact CG-CG 4.2Å; E136-Q140 WeakPolarHBondContact O-CG 3.22Å; E136-Q140 PolarHBondContact O-N 3.01Å; E136-Q140 WeakPolarHBondContact OE1-CG 3.36Å; E136-Q140 PolarHBondContact OE1-NE2 3.24Å; Q140-H142 PolarHBondContact O-N 2.83Å; Q140-K143 PolarHBondContact O-N 2.93Å; Q140-R144 PolarHBondContact O-N 2.78Å |
| 141 | A | 87.4 | Confident | 87.1 | Confident | 8 Ų | 8 | 82 Ų | 82 | 7% | 0.066 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.3 | -34.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | K137 V164 Q165 | K137-A141 WeakPolarHBondContact O-CB 3.46Å; K137-A141 PolarHBondContact O-N 3.47Å; A141-V164 HydrophobicContact CB-CG1 4.46Å; A141-V164 WeakPolarHBondContact O-CG1 3.21Å; A141-Q165 HydrophobicContact CB-CG 3.97Å |
| 142 | H | 88.1 | Confident | 87.2 | Confident | 25 Ų | 25 | 77.8 Ų | 77.8 | 12% | 0.116 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 173.5 | 170.1 | 63.9 | 0 | 0 | 0 | 112.7 | C126 C129 F133 S138 L139 Q140 R144 T145 H146 | C126-H142 PolarHBondContact SG-NE2 3.47Å; C126-H142 VanDerWaalsContact SG-NE2 3.42Å; C129-H142 VanDerWaalsContact SG-CE1 3.55Å; C129-H142 PolarHBondContact SG-NE2 2.92Å; F133-H142 HydrophobicContact CE1-CB 3.85Å; F133-H142 HydrophobicContact CE2-CB 3.97Å; F133-H142 AromaticContact CE2-CD2 3.34Å; F133-H142 WeakPolarHBondContact CE2-CD2 3.45Å; F133-H142 AromaticContact CE2-CG 3.65Å; F133-H142 HydrophobicContact CZ-CB 3.45Å; F133-H142 VanDerWaalsContact CZ-CB 3.45Å; F133-H142 AromaticContact CZ-CD2 3.4Å; F133-H142 WeakPolarHBondContact CZ-CD2 3.31Å; F133-H142 AromaticContact CZ-CG 3.21Å; F133-H142 AromaticContact CZ-ND1 3.77Å; S138-H142 WeakPolarHBondContact O-CB 3.3Å; S138-H142 PolarHBondContact O-N 2.93Å; L139-H142 CarbonylContact O-C 3.59Å; L139-H142 WeakPolarHBondContact O-CA 3.3Å; L139-H142 WeakPolarHBondContact O-CB 3.49Å; L139-H142 PolarHBondContact O-N 3.48Å; L139-H142 VanDerWaalsContact O-N 3.1Å; Q140-H142 PolarHBondContact O-N 2.83Å; H142-R144 PolarHBondContact O-N 3.28Å; H142-T145 PolarHBondContact ND1-OG1 2.84Å; H142-T145 WeakPolarHBondContact O-CB 3.44Å; H142-T145 PolarHBondContact O-N 2.91Å; H142-T145 PolarHBondContact O-OG1 3.39Å; H142-H146 AromaticContact CE1-NE2 3.43Å; H142-H146 PolarHBondContact CE1-NE2 3.36Å; H142-H146 AromaticContact NE2-CD2 3.88Å; H142-H146 AromaticContact NE2-NE2 3.13Å; H142-H146 PolarHBondContact NE2-NE2 2.72Å; H142-H146 VanDerWaalsContact NE2-NE2 3.13Å |
| 143 | K | 87.3 | Confident | 87.2 | Confident | 63 Ų | 63 | 77.5 Ų | 77.5 | 27% | 0.274 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -57.4 | -34.5 | 176.9 | -77 | 176.6 | 175.7 | 176.3 | 0 | 112.1 | L139 Q140 T145 H146 T147 | L139-K143 HydrophobicContact CD1-CG 4.38Å; L139-K143 HydrophobicContact CG-CD 4.45Å; L139-K143 HydrophobicContact CG-CG 4.49Å; L139-K143 WeakPolarHBondContact O-CG 3.31Å; L139-K143 PolarHBondContact O-N 3.42Å; Q140-K143 PolarHBondContact O-N 2.93Å; K143-T145 PolarHBondContact O-N 3.46Å; K143-H146 WeakPolarHBondContact O-CB 3.2Å; K143-H146 PolarHBondContact O-N 3.18Å; K143-T147 PolarHBondContact O-N 2.9Å |
| 144 | R | 88.8 | Confident | 87.3 | Confident | 71 Ų | 71 | 76.4 Ų | 76.4 | 27% | 0.268 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.1 | -20.9 | 172.9 | -67.3 | -179.9 | -175 | 132.3 | 6.7 | 114.4 | Q140 H142 H146 T147 G148 E149 V164 | Q140-R144 PolarHBondContact O-N 2.78Å; H142-R144 PolarHBondContact O-N 3.28Å; R144-H146 VanDerWaalsContact C-N 3.26Å; R144-T147 WeakPolarHBondContact CA-OG1 3.37Å; R144-G148 WeakPolarHBondContact O-CA 3.36Å; R144-G148 PolarHBondContact O-N 3.49Å; R144-E149 HydrophobicContact CB-CB 4.42Å; R144-E149 HydrophobicContact CG-CB 4.21Å; R144-E149 PolarHBondContact O-N 2.61Å; R144-V164 HydrophobicContact CB-CG1 3.54Å; R144-V164 HydrophobicContact CG-CG1 4.3Å |
| 145 | T | 85.8 | Confident | 87.4 | Confident | 88 Ų | 88 | 79.1 Ų | 79.1 | 54% | 0.54 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -73.4 | -21.6 | 172.7 | 71.9 | 0 | 0 | 0 | 0 | 112.6 | H142 K143 | H142-T145 PolarHBondContact ND1-OG1 2.84Å; H142-T145 WeakPolarHBondContact O-CB 3.44Å; H142-T145 PolarHBondContact O-N 2.91Å; H142-T145 PolarHBondContact O-OG1 3.39Å; K143-T145 PolarHBondContact O-N 3.46Å |
| 146 | H | 85.5 | Confident | 87.4 | Confident | 73 Ų | 73 | 76.4 Ų | 76.4 | 34% | 0.338 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -87.1 | -37.5 | 174.5 | -61.9 | -65.4 | 0 | 0 | 0 | 111.8 | I128 H142 K143 R144 | I128-H146 HydrophobicContact CD1-CB 3.58Å; H142-H146 AromaticContact CE1-NE2 3.43Å; H142-H146 PolarHBondContact CE1-NE2 3.36Å; H142-H146 AromaticContact NE2-CD2 3.88Å; H142-H146 AromaticContact NE2-NE2 3.13Å; H142-H146 PolarHBondContact NE2-NE2 2.72Å; H142-H146 VanDerWaalsContact NE2-NE2 3.13Å; K143-H146 WeakPolarHBondContact O-CB 3.2Å; K143-H146 PolarHBondContact O-N 3.18Å; R144-H146 VanDerWaalsContact C-N 3.26Å |
| 147 | T | 84.8 | Confident | 87 | Confident | 88 Ų | 88 | 78.1 Ų | 78.1 | 54% | 0.54 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -83.4 | -16.4 | 178.6 | 62.7 | 0 | 0 | 0 | 0 | 113.6 | K143 R144 E149 | K143-T147 PolarHBondContact O-N 2.9Å; R144-T147 WeakPolarHBondContact CA-OG1 3.37Å; T147-E149 PolarHBondContact O-N 2.95Å; T147-E149 WeakPolarHBondContact OG1-CG 3.17Å |
| 148 | G | 84 | Confident | 87 | Confident | 51 Ų | 51 | 76.2 Ų | 76.2 | 53% | 0.526 | 40% | 0.403 | S | S | . | . | trans | 76.8 | 3.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | R144 R150 | R144-G148 WeakPolarHBondContact O-CA 3.36Å; R144-G148 PolarHBondContact O-N 3.49Å; G148-R150 PolarHBondContact O-N 2.81Å | ||
| 149 | E | 86.7 | Confident | 87.1 | Confident | 116 Ų | 116 | 75.3 Ų | 75.3 | 54% | 0.542 | 40% | 0.396 | S | S | . | . | trans | -64.6 | 126 | -179.5 | -72.9 | 179.3 | -178 | 0 | 0 | 112.3 | R144 T147 P151 | R144-E149 HydrophobicContact CB-CB 4.42Å; R144-E149 HydrophobicContact CG-CB 4.21Å; R144-E149 PolarHBondContact O-N 2.61Å; T147-E149 PolarHBondContact O-N 2.95Å; T147-E149 WeakPolarHBondContact OG1-CG 3.17Å; E149-P151 WeakPolarHBondContact O-CD 3.44Å | ||
| 150 | R | 88 | Confident | 86.8 | Confident | 148 Ų | 148 | 78.8 Ų | 78.8 | 56% | 0.558 | 43% | 0.433 | S | S | * | . | trans | -125.6 | 81.2 | 179.1 | -70.9 | 170 | 170.6 | -129.8 | 8.9 | 110.1 | G148 Y152 A162 F163 V164 | G148-R150 PolarHBondContact O-N 2.81Å; R150-Y152 PolarHBondContact O-N 2.86Å; R150-Y152 VanDerWaalsContact O-N 3.15Å; R150-A162 HydrophobicContact CB-CB 3.53Å; R150-A162 VanDerWaalsContact CD-O 3.3Å; R150-A162 WeakPolarHBondContact CD-O 3.32Å; R150-A162 HydrophobicContact CG-CB 4.48Å; R150-A162 PolarHBondContact NH1-O 2.75Å; R150-F163 CarbonylContact C-O 3.4Å; R150-F163 WeakPolarHBondContact CA-O 3.5Å; R150-V164 HydrophobicContact CG-CG2 4.08Å | ||
| 151 | P | 87.3 | Confident | 86.8 | Confident | 67 Ų | 67 | 80.6 Ų | 80.6 | 44% | 0.435 | 44% | 0.44 | S | S | . | . | trans | -71 | -6.7 | -173.3 | 26.6 | -33.5 | 0 | 0 | 0 | 114.4 | E149 P153 | E149-P151 WeakPolarHBondContact O-CD 3.44Å; P151-P153 VanDerWaalsContact C-CD 3.47Å; P151-P153 WeakPolarHBondContact O-CD 3.43Å | ||
| 152 | Y | 90.2 | Very high | 86.9 | Confident | 80 Ų | 80 | 81.2 Ų | 81.2 | 31% | 0.314 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 79.5 | -177.1 | -58 | -75.6 | 0 | 0 | 0 | 111.1 | R150 A162 F163 V164 | R150-Y152 PolarHBondContact O-N 2.86Å; R150-Y152 VanDerWaalsContact O-N 3.15Å; Y152-A162 CarbonylContact O-C 3.43Å; Y152-A162 WeakPolarHBondContact O-CA 3.24Å; Y152-F163 WeakPolarHBondContact CB-O 3.43Å; Y152-F163 WeakPolarHBondContact CD2-O 3.46Å; Y152-F163 PolarHBondContact N-O 2.89Å; Y152-F163 VanDerWaalsContact N-O 3.1Å; Y152-F163 PolarHBondContact O-N 2.67Å; Y152-V164 WeakPolarHBondContact CE2-O 3.4Å |
| 153 | P | 88.9 | Confident | 87 | Confident | 72 Ų | 72 | 81.8 Ų | 81.8 | 47% | 0.468 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 152.1 | 173.6 | 30.9 | -34.9 | 0 | 0 | 0 | 111.5 | P151 A162 L169 | P151-P153 VanDerWaalsContact C-CD 3.47Å; P151-P153 WeakPolarHBondContact O-CD 3.43Å; P153-A162 HydrophobicContact CB-CB 4.33Å; P153-L169 WeakPolarHBondContact O-CD1 3.44Å; P153-L169 WeakPolarHBondContact O-CD2 3.47Å |
| 154 | C | 91.9 | Very high | 87 | Confident | 13 Ų | 13 | 79.6 Ų | 79.6 | 9% | 0.088 | 44% | 0.439 | C | S | . | . | trans | -82.8 | 126.2 | 168.7 | -177 | 0 | 0 | 0 | 0 | 109.4 | Y156 C159 K161 L169 H176 | C154-Y156 PolarHBondContact O-N 2.73Å; C154-C159 HydrophobicContact CB-CB 4.34Å; C154-K161 WeakPolarHBondContact CB-O 3.34Å; C154-K161 PolarHBondContact N-O 2.81Å; C154-L169 HydrophobicContact CB-CD1 4.07Å; C154-H176 PolarHBondContact SG-NE2 3.37Å; C154-H176 VanDerWaalsContact SG-NE2 3.41Å | ||
| 155 | D | 88.2 | Confident | 86.9 | Confident | 131 Ų | 131 | 80.3 Ų | 80.3 | 70% | 0.701 | 45% | 0.445 | S | S | * | . | trans | -74.9 | -2.8 | -179 | -51.5 | -49.5 | 0 | 0 | 0 | 113.7 | ||||
| 156 | Y | 86.3 | Confident | 87 | Confident | 119 Ų | 119 | 79.5 Ų | 79.5 | 47% | 0.467 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -75.3 | 123.7 | 179.9 | -154.3 | -88 | 0 | 0 | 0 | 109.9 | C154 D158 C159 H176 | C154-Y156 PolarHBondContact O-N 2.73Å; Y156-D158 VanDerWaalsContact C-N 3.27Å; Y156-D158 PolarHBondContact O-N 2.84Å; Y156-D158 VanDerWaalsContact O-N 3.11Å; Y156-C159 WeakPolarHBondContact O-CB 3.32Å; Y156-C159 PolarHBondContact O-N 3.48Å; Y156-H176 AromaticContact CD1-CE1 3.93Å; Y156-H176 AromaticContact CD1-ND1 3.96Å; Y156-H176 HydrophobicContact CD2-CB 3.88Å; Y156-H176 AromaticContact CD2-CG 3.78Å; Y156-H176 HydrophobicContact CE2-CB 4.03Å; Y156-H176 HydrophobicContact CG-CB 4.47Å; Y156-H176 AromaticContact CG-CD2 3.97Å; Y156-H176 AromaticContact CG-CE1 3.87Å; Y156-H176 AromaticContact CG-CG 3.88Å; Y156-H176 AromaticContact CG-ND1 3.85Å; Y156-H176 AromaticContact CG-NE2 3.97Å |
| 157 | P | 78.3 | Confident | 87.1 | Confident | 115 Ų | 115 | 78 Ų | 78 | 75% | 0.747 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -31.8 | -162.9 | 17.8 | -30.6 | 0 | 0 | 0 | 114.5 | ||
| 158 | D | 86.4 | Confident | 87.2 | Confident | 147 Ų | 147 | 77.4 Ų | 77.4 | 79% | 0.786 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 2.9 | -178.5 | -53.2 | -52.9 | 0 | 0 | 0 | 113.8 | Y156 | Y156-D158 VanDerWaalsContact C-N 3.27Å; Y156-D158 PolarHBondContact O-N 2.84Å; Y156-D158 VanDerWaalsContact O-N 3.11Å |
| 159 | C | 89.1 | Confident | 87.5 | Confident | 24 Ų | 24 | 76 Ų | 76 | 16% | 0.162 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -44.4 | -171.5 | -166.6 | 0 | 0 | 0 | 0 | 113.3 | C154 Y156 K161 H172 H176 | C154-C159 HydrophobicContact CB-CB 4.34Å; Y156-C159 WeakPolarHBondContact O-CB 3.32Å; Y156-C159 PolarHBondContact O-N 3.48Å; C159-K161 PolarHBondContact O-N 2.98Å; C159-H172 VanDerWaalsContact SG-CE1 3.57Å; C159-H172 PolarHBondContact SG-NE2 3.08Å; C159-H176 PolarHBondContact SG-NE2 3.16Å; C159-H176 VanDerWaalsContact SG-NE2 3.4Å |
| 160 | G | 83.4 | Confident | 87.6 | Confident | 77 Ų | 77 | 77 Ų | 77 | 79% | 0.794 | 42% | 0.422 | S | S | * | . | trans | 58.3 | 4.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 161 | K | 87.3 | Confident | 87.6 | Confident | 116 Ų | 116 | 71.7 Ų | 71.7 | 50% | 0.504 | 41% | 0.406 | S | S | . | . | trans | -82 | 131.4 | -175.9 | -72.6 | 175.2 | -171.4 | 173.6 | 0 | 110.6 | C154 C159 F163 | C154-K161 WeakPolarHBondContact CB-O 3.34Å; C154-K161 PolarHBondContact N-O 2.81Å; C159-K161 PolarHBondContact O-N 2.98Å; K161-F163 HydrophobicContact CB-CE2 4.04Å; K161-F163 HydrophobicContact CB-CZ 4.13Å | ||
| 162 | A | 89 | Confident | 87.6 | Confident | 22 Ų | 22 | 69.1 Ų | 69.1 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 150 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R150 Y152 P153 | R150-A162 HydrophobicContact CB-CB 3.53Å; R150-A162 VanDerWaalsContact CD-O 3.3Å; R150-A162 WeakPolarHBondContact CD-O 3.32Å; R150-A162 HydrophobicContact CG-CB 4.48Å; R150-A162 PolarHBondContact NH1-O 2.75Å; Y152-A162 CarbonylContact O-C 3.43Å; Y152-A162 WeakPolarHBondContact O-CA 3.24Å; P153-A162 HydrophobicContact CB-CB 4.33Å |
| 163 | F | 88.9 | Confident | 87.4 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 16% | 0.162 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 158.1 | -174.3 | -60.4 | -87.3 | 0 | 0 | 0 | 111.9 | R150 Y152 K161 Q168 L169 H172 | R150-F163 CarbonylContact C-O 3.4Å; R150-F163 WeakPolarHBondContact CA-O 3.5Å; Y152-F163 WeakPolarHBondContact CB-O 3.43Å; Y152-F163 WeakPolarHBondContact CD2-O 3.46Å; Y152-F163 PolarHBondContact N-O 2.89Å; Y152-F163 VanDerWaalsContact N-O 3.1Å; Y152-F163 PolarHBondContact O-N 2.67Å; K161-F163 HydrophobicContact CB-CE2 4.04Å; K161-F163 HydrophobicContact CB-CZ 4.13Å; F163-Q168 HydrophobicContact CB-CB 3.97Å; F163-Q168 HydrophobicContact CD1-CB 3.75Å; F163-Q168 HydrophobicContact CG-CB 4.04Å; F163-L169 HydrophobicContact CB-CB 4.44Å; F163-L169 HydrophobicContact CD2-CB 4.02Å; F163-L169 HydrophobicContact CD2-CD1 3.99Å; F163-L169 HydrophobicContact CE2-CD1 4.27Å; F163-L169 HydrophobicContact CG-CB 4.47Å; F163-H172 HydrophobicContact CD2-CB 4.48Å; F163-H172 HydrophobicContact CE1-CB 4.12Å; F163-H172 HydrophobicContact CE2-CB 3.62Å; F163-H172 AromaticContact CE2-CD2 3.36Å; F163-H172 WeakPolarHBondContact CE2-CD2 3.44Å; F163-H172 AromaticContact CE2-CG 3.39Å; F163-H172 HydrophobicContact CZ-CB 3.4Å; F163-H172 VanDerWaalsContact CZ-CB 3.4Å; F163-H172 AromaticContact CZ-CD2 3.65Å; F163-H172 AromaticContact CZ-CG 3.21Å; F163-H172 AromaticContact CZ-ND1 3.58Å |
| 164 | V | 87.4 | Confident | 87.4 | Confident | 17 Ų | 17 | 66.8 Ų | 66.8 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -83.7 | -24.7 | -179.3 | 178.9 | 0 | 0 | 0 | 0 | 111.8 | A141 R144 R150 Y152 | A141-V164 HydrophobicContact CB-CG1 4.46Å; A141-V164 WeakPolarHBondContact O-CG1 3.21Å; R144-V164 HydrophobicContact CB-CG1 3.54Å; R144-V164 HydrophobicContact CG-CG1 4.3Å; R150-V164 HydrophobicContact CG-CG2 4.08Å; Y152-V164 WeakPolarHBondContact CE2-O 3.4Å |
| 165 | Q | 88.3 | Confident | 87.1 | Confident | 85 Ų | 85 | 71 Ų | 71 | 40% | 0.397 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -130.9 | 144 | -178.3 | -61.7 | -178.4 | 2.1 | 0 | 0 | 111.4 | A141 G167 Q168 L169 | A141-Q165 HydrophobicContact CB-CG 3.97Å; Q165-G167 VanDerWaalsContact C-N 3.3Å; Q165-G167 PolarHBondContact O-N 3.33Å; Q165-Q168 HydrophobicContact CB-CG 4.15Å; Q165-Q168 WeakPolarHBondContact O-CB 3.42Å; Q165-Q168 PolarHBondContact O-N 3.16Å; Q165-Q168 VanDerWaalsContact O-N 3.15Å; Q165-L169 PolarHBondContact O-N 3.01Å |
| 166 | S | 87.6 | Confident | 86.9 | Confident | 71 Ų | 71 | 67.9 Ų | 67.9 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -60.6 | -36.9 | 177.6 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | Q168 L169 K170 | S166-Q168 VanDerWaalsContact C-N 3.27Å; S166-Q168 PolarHBondContact O-N 3.49Å; S166-L169 PolarHBondContact O-N 2.83Å; S166-K170 PolarHBondContact O-N 3.41Å |
| 167 | G | 86.2 | Confident | 86.8 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 43% | 0.433 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.1 | -36.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q165 K170 T171 | Q165-G167 VanDerWaalsContact C-N 3.3Å; Q165-G167 PolarHBondContact O-N 3.33Å; G167-K170 PolarHBondContact O-N 3.44Å; G167-T171 WeakPolarHBondContact O-CG2 3.14Å; G167-T171 PolarHBondContact O-N 2.94Å; G167-T171 PolarHBondContact O-OG1 2.9Å |
| 168 | Q | 87.7 | Confident | 87 | Confident | 76 Ų | 76 | 63.3 Ų | 63.3 | 36% | 0.355 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.6 | -45.1 | 176.3 | -64.8 | 173.8 | -6.3 | 0 | 0 | 110.8 | F163 Q165 S166 K170 T171 H172 | F163-Q168 HydrophobicContact CB-CB 3.97Å; F163-Q168 HydrophobicContact CD1-CB 3.75Å; F163-Q168 HydrophobicContact CG-CB 4.04Å; Q165-Q168 HydrophobicContact CB-CG 4.15Å; Q165-Q168 WeakPolarHBondContact O-CB 3.42Å; Q165-Q168 PolarHBondContact O-N 3.16Å; Q165-Q168 VanDerWaalsContact O-N 3.15Å; S166-Q168 VanDerWaalsContact C-N 3.27Å; S166-Q168 PolarHBondContact O-N 3.49Å; Q168-K170 PolarHBondContact O-N 3.18Å; Q168-T171 PolarHBondContact O-N 3.17Å; Q168-T171 PolarHBondContact O-OG1 3.01Å; Q168-H172 VanDerWaalsContact O-CB 3.32Å; Q168-H172 WeakPolarHBondContact O-CB 3.44Å; Q168-H172 PolarHBondContact O-N 2.73Å |
| 169 | L | 90.3 | Very high | 87 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.3 | -47.6 | 173.9 | 173.9 | 62.9 | 0 | 0 | 0 | 111.4 | P153 C154 F163 Q165 S166 T171 H172 Q173 | P153-L169 WeakPolarHBondContact O-CD1 3.44Å; P153-L169 WeakPolarHBondContact O-CD2 3.47Å; C154-L169 HydrophobicContact CB-CD1 4.07Å; F163-L169 HydrophobicContact CB-CB 4.44Å; F163-L169 HydrophobicContact CD2-CB 4.02Å; F163-L169 HydrophobicContact CD2-CD1 3.99Å; F163-L169 HydrophobicContact CE2-CD1 4.27Å; F163-L169 HydrophobicContact CG-CB 4.47Å; Q165-L169 PolarHBondContact O-N 3.01Å; S166-L169 PolarHBondContact O-N 2.83Å; L169-T171 VanDerWaalsContact C-N 3.33Å; L169-T171 PolarHBondContact O-N 2.75Å; L169-H172 CarbonylContact O-C 3.08Å; L169-H172 WeakPolarHBondContact O-CA 3.4Å; L169-H172 WeakPolarHBondContact O-CB 3.4Å; L169-H172 PolarHBondContact O-N 3.03Å; L169-Q173 HydrophobicContact CD1-CG 4.17Å; L169-Q173 HydrophobicContact CG-CG 4.47Å; L169-Q173 WeakPolarHBondContact O-CG 3.3Å; L169-Q173 PolarHBondContact O-N 3.19Å |
| 170 | K | 88.3 | Confident | 86.9 | Confident | 135 Ų | 135 | 65.3 Ų | 65.3 | 59% | 0.587 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.5 | -41.6 | 178.7 | -172.7 | 170.6 | -173.9 | 169.2 | 0 | 112.3 | S166 G167 Q168 H172 | S166-K170 PolarHBondContact O-N 3.41Å; G167-K170 PolarHBondContact O-N 3.44Å; Q168-K170 PolarHBondContact O-N 3.18Å; K170-H172 VanDerWaalsContact C-N 3.31Å |
| 171 | T | 87.8 | Confident | 87.1 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 23% | 0.233 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.2 | -31.9 | 174.9 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | G167 Q168 L169 R174 H195 | G167-T171 WeakPolarHBondContact O-CG2 3.14Å; G167-T171 PolarHBondContact O-N 2.94Å; G167-T171 PolarHBondContact O-OG1 2.9Å; Q168-T171 PolarHBondContact O-N 3.17Å; Q168-T171 PolarHBondContact O-OG1 3.01Å; L169-T171 VanDerWaalsContact C-N 3.33Å; L169-T171 PolarHBondContact O-N 2.75Å; T171-R174 WeakPolarHBondContact O-CB 3.44Å; T171-R174 PolarHBondContact O-N 2.96Å; T171-H195 VanDerWaalsContact CB-CE1 3.49Å; T171-H195 WeakPolarHBondContact CB-CE1 3.5Å |
| 172 | H | 88.1 | Confident | 87.1 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 6% | 0.06 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -69.9 | -41.1 | 176.6 | 171.1 | 68.4 | 0 | 0 | 0 | 112 | C159 F163 Q168 L169 K170 R174 L175 H176 | C159-H172 VanDerWaalsContact SG-CE1 3.57Å; C159-H172 PolarHBondContact SG-NE2 3.08Å; F163-H172 HydrophobicContact CD2-CB 4.48Å; F163-H172 HydrophobicContact CE1-CB 4.12Å; F163-H172 HydrophobicContact CE2-CB 3.62Å; F163-H172 AromaticContact CE2-CD2 3.36Å; F163-H172 WeakPolarHBondContact CE2-CD2 3.44Å; F163-H172 AromaticContact CE2-CG 3.39Å; F163-H172 HydrophobicContact CZ-CB 3.4Å; F163-H172 VanDerWaalsContact CZ-CB 3.4Å; F163-H172 AromaticContact CZ-CD2 3.65Å; F163-H172 AromaticContact CZ-CG 3.21Å; F163-H172 AromaticContact CZ-ND1 3.58Å; Q168-H172 VanDerWaalsContact O-CB 3.32Å; Q168-H172 WeakPolarHBondContact O-CB 3.44Å; Q168-H172 PolarHBondContact O-N 2.73Å; L169-H172 CarbonylContact O-C 3.08Å; L169-H172 WeakPolarHBondContact O-CA 3.4Å; L169-H172 WeakPolarHBondContact O-CB 3.4Å; L169-H172 PolarHBondContact O-N 3.03Å; K170-H172 VanDerWaalsContact C-N 3.31Å; H172-R174 PolarHBondContact O-N 3.37Å; H172-R174 VanDerWaalsContact O-N 3.16Å; H172-L175 VanDerWaalsContact O-CB 3.22Å; H172-L175 WeakPolarHBondContact O-CB 3.48Å; H172-L175 WeakPolarHBondContact O-CG 3.38Å; H172-L175 PolarHBondContact O-N 3.2Å; H172-H176 AromaticContact CE1-NE2 3.87Å; H172-H176 AromaticContact NE2-CD2 3.99Å; H172-H176 AromaticContact NE2-NE2 3.32Å; H172-H176 PolarHBondContact NE2-NE2 3.1Å |
| 173 | Q | 87 | Confident | 87.1 | Confident | 70 Ų | 70 | 57.5 Ų | 57.5 | 33% | 0.327 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -57.1 | -29.7 | 176.3 | -76.4 | 172.9 | -27.7 | 0 | 0 | 112.6 | L169 L175 H176 T177 | L169-Q173 HydrophobicContact CD1-CG 4.17Å; L169-Q173 HydrophobicContact CG-CG 4.47Å; L169-Q173 WeakPolarHBondContact O-CG 3.3Å; L169-Q173 PolarHBondContact O-N 3.19Å; Q173-L175 PolarHBondContact O-N 3.35Å; Q173-L175 VanDerWaalsContact O-N 3.16Å; Q173-H176 WeakPolarHBondContact O-CB 3.45Å; Q173-H176 PolarHBondContact O-N 3.32Å; Q173-T177 PolarHBondContact O-N 3.44Å; Q173-T177 VanDerWaalsContact O-N 3.08Å; Q173-T177 PolarHBondContact O-OG1 3.41Å |
| 174 | R | 88.3 | Confident | 87.2 | Confident | 33 Ų | 33 | 56.1 Ų | 56.1 | 13% | 0.125 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.8 | -20.1 | 173.4 | -63.1 | 178.9 | -176.6 | 162.3 | 0.5 | 114.2 | T171 H172 H176 T177 G178 E179 T194 | T171-R174 WeakPolarHBondContact O-CB 3.44Å; T171-R174 PolarHBondContact O-N 2.96Å; H172-R174 PolarHBondContact O-N 3.37Å; H172-R174 VanDerWaalsContact O-N 3.16Å; R174-H176 VanDerWaalsContact C-N 3.33Å; R174-T177 WeakPolarHBondContact CA-OG1 3.49Å; R174-G178 CarbonylContact O-C 3.47Å; R174-G178 WeakPolarHBondContact O-CA 3.36Å; R174-G178 PolarHBondContact O-N 2.78Å; R174-E179 HydrophobicContact CB-CB 4.38Å; R174-E179 HydrophobicContact CG-CB 4.22Å; R174-E179 PolarHBondContact O-N 3.31Å; R174-T194 PolarHBondContact NH1-O 3.41Å |
| 175 | L | 85.3 | Confident | 87.1 | Confident | 101 Ų | 101 | 56.8 Ų | 56.8 | 53% | 0.529 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.7 | -30.9 | 173.7 | -58.8 | 176.6 | 0 | 0 | 0 | 111.5 | H172 Q173 T194 | H172-L175 VanDerWaalsContact O-CB 3.22Å; H172-L175 WeakPolarHBondContact O-CB 3.48Å; H172-L175 WeakPolarHBondContact O-CG 3.38Å; H172-L175 PolarHBondContact O-N 3.2Å; Q173-L175 PolarHBondContact O-N 3.35Å; Q173-L175 VanDerWaalsContact O-N 3.16Å; L175-T194 HydrophobicContact CD2-CG2 4.47Å |
| 176 | H | 84.3 | Confident | 86.9 | Confident | 66 Ų | 66 | 57.3 Ų | 57.3 | 31% | 0.306 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -81.6 | -40.9 | 176.8 | -62.6 | -54.2 | 0 | 0 | 0 | 111.7 | C154 Y156 C159 H172 Q173 R174 G178 | C154-H176 PolarHBondContact SG-NE2 3.37Å; C154-H176 VanDerWaalsContact SG-NE2 3.41Å; Y156-H176 AromaticContact CD1-CE1 3.93Å; Y156-H176 AromaticContact CD1-ND1 3.96Å; Y156-H176 HydrophobicContact CD2-CB 3.88Å; Y156-H176 AromaticContact CD2-CG 3.78Å; Y156-H176 HydrophobicContact CE2-CB 4.03Å; Y156-H176 HydrophobicContact CG-CB 4.47Å; Y156-H176 AromaticContact CG-CD2 3.97Å; Y156-H176 AromaticContact CG-CE1 3.87Å; Y156-H176 AromaticContact CG-CG 3.88Å; Y156-H176 AromaticContact CG-ND1 3.85Å; Y156-H176 AromaticContact CG-NE2 3.97Å; C159-H176 PolarHBondContact SG-NE2 3.16Å; C159-H176 VanDerWaalsContact SG-NE2 3.4Å; H172-H176 AromaticContact CE1-NE2 3.87Å; H172-H176 AromaticContact NE2-CD2 3.99Å; H172-H176 AromaticContact NE2-NE2 3.32Å; H172-H176 PolarHBondContact NE2-NE2 3.1Å; Q173-H176 WeakPolarHBondContact O-CB 3.45Å; Q173-H176 PolarHBondContact O-N 3.32Å; R174-H176 VanDerWaalsContact C-N 3.33Å; H176-G178 VanDerWaalsContact C-N 3.34Å |
| 177 | T | 83.3 | Confident | 86.3 | Confident | 89 Ų | 89 | 64 Ų | 64 | 55% | 0.546 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -82.2 | -12.7 | 179.5 | 63.4 | 0 | 0 | 0 | 0 | 113.6 | Q173 R174 E179 | Q173-T177 PolarHBondContact O-N 3.44Å; Q173-T177 VanDerWaalsContact O-N 3.08Å; Q173-T177 PolarHBondContact O-OG1 3.41Å; R174-T177 WeakPolarHBondContact CA-OG1 3.49Å; T177-E179 PolarHBondContact O-N 3.15Å; T177-E179 WeakPolarHBondContact OG1-CG 3.43Å |
| 178 | G | 83.8 | Confident | 85.9 | Confident | 49 Ų | 49 | 67.2 Ų | 67.2 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | trans | 70.8 | 7.3 | -176 | 0 | 0 | 0 | 0 | 0 | 114.4 | R174 H176 K180 | R174-G178 CarbonylContact O-C 3.47Å; R174-G178 WeakPolarHBondContact O-CA 3.36Å; R174-G178 PolarHBondContact O-N 2.78Å; H176-G178 VanDerWaalsContact C-N 3.34Å; G178-K180 PolarHBondContact O-N 2.92Å | ||
| 179 | E | 86.5 | Confident | 85.8 | Confident | 104 Ų | 104 | 64.5 Ų | 64.5 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | trans | -63.8 | 123.5 | -177.7 | -77.3 | -176.7 | -178.1 | 0 | 0 | 112.6 | R174 T177 P181 | R174-E179 HydrophobicContact CB-CB 4.38Å; R174-E179 HydrophobicContact CG-CB 4.22Å; R174-E179 PolarHBondContact O-N 3.31Å; T177-E179 PolarHBondContact O-N 3.15Å; T177-E179 WeakPolarHBondContact OG1-CG 3.43Å; E179-P181 WeakPolarHBondContact O-CD 3.33Å | ||
| 180 | K | 86.5 | Confident | 85.3 | Confident | 108 Ų | 108 | 66 Ų | 66 | 47% | 0.47 | 37% | 0.366 | S | S | . | . | trans | -121.1 | 81.6 | 175.9 | -66 | 173.3 | -175.5 | 178.6 | 0 | 110 | G178 F182 R192 F193 T194 | G178-K180 PolarHBondContact O-N 2.92Å; K180-F182 VanDerWaalsContact C-N 3.26Å; K180-F182 PolarHBondContact O-N 3.24Å; K180-R192 HydrophobicContact CB-CB 3.6Å; K180-R192 HydrophobicContact CD-CB 4.12Å; K180-R192 HydrophobicContact CG-CB 4.48Å; K180-R192 PolarHBondContact O-NE 2.95Å; K180-R192 PolarHBondContact O-NH2 3.47Å; K180-F193 CarbonylContact C-O 3.54Å; K180-F193 VanDerWaalsContact CA-O 3.32Å; K180-F193 WeakPolarHBondContact CA-O 3.14Å; K180-T194 HydrophobicContact CG-CG2 3.86Å | ||
| 181 | P | 86.4 | Confident | 85.1 | Confident | 15 Ų | 15 | 61.2 Ų | 61.2 | 10% | 0.097 | 35% | 0.349 | C | S | . | . | trans | -77.2 | -9.9 | -175 | 29.5 | -34 | 0 | 0 | 0 | 113.4 | E179 E211 | E179-P181 WeakPolarHBondContact O-CD 3.33Å; P181-E211 PolarHBondContact O-N 2.93Å | ||
| 182 | F | 88.3 | Confident | 85.1 | Confident | 22 Ų | 22 | 64.6 Ų | 64.6 | 10% | 0.096 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 124.3 | -178.6 | -59.5 | -74.5 | 0 | 0 | 0 | 110.5 | K180 R192 F193 T194 A196 L208 K209 R210 | K180-F182 VanDerWaalsContact C-N 3.26Å; K180-F182 PolarHBondContact O-N 3.24Å; F182-R192 CarbonylContact O-C 3.5Å; F182-R192 VanDerWaalsContact O-CA 3.24Å; F182-R192 WeakPolarHBondContact O-CA 3.43Å; F182-F193 HydrophobicContact CB-CB 4.26Å; F182-F193 PolarHBondContact N-O 2.82Å; F182-F193 PolarHBondContact O-N 3.46Å; F182-T194 WeakPolarHBondContact CE2-O 3.49Å; F182-A196 HydrophobicContact CD1-CB 3.97Å; F182-A196 HydrophobicContact CE1-CB 3.56Å; F182-A196 HydrophobicContact CE2-CB 4.21Å; F182-A196 VanDerWaalsContact CE2-N 3.29Å; F182-A196 HydrophobicContact CG-CB 4.47Å; F182-A196 HydrophobicContact CZ-CB 3.7Å; F182-L208 HydrophobicContact CB-CB 4.02Å; F182-L208 HydrophobicContact CB-CD1 3.89Å; F182-K209 CarbonylContact C-O 3.49Å; F182-K209 WeakPolarHBondContact CA-O 3.45Å; F182-R210 HydrophobicContact CD1-CB 4.04Å; F182-R210 HydrophobicContact CD1-CG 4.39Å; F182-R210 HydrophobicContact CE1-CB 3.93Å; F182-R210 HydrophobicContact CE1-CG 4.06Å |
| 183 | V | 88.6 | Confident | 85 | Confident | 15 Ų | 15 | 65.2 Ų | 65.2 | 9% | 0.091 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.5 | -178.8 | -171.1 | 0 | 0 | 0 | 0 | 109.8 | S185 S191 R192 L208 K209 E211 | V183-S185 PolarHBondContact O-N 3.47Å; V183-S191 WeakPolarHBondContact CA-O 3.42Å; V183-R192 HydrophobicContact CG2-CG 4.1Å; V183-R192 VanDerWaalsContact CG2-CZ 3.42Å; V183-R192 VanDerWaalsContact CG2-NH1 3.34Å; V183-L208 CarbonylContact O-C 3.35Å; V183-L208 WeakPolarHBondContact O-CA 3.43Å; V183-K209 PolarHBondContact N-O 3.02Å; V183-K209 PolarHBondContact O-N 3.46Å; V183-E211 HydrophobicContact CB-CG 4.43Å; V183-E211 HydrophobicContact CG2-CG 3.85Å; V183-E211 WeakPolarHBondContact CG2-OE2 3.34Å |
| 184 | C | 90.6 | Very high | 84.9 | Confident | 7 Ų | 7 | 62.6 Ų | 62.6 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 136.1 | 172.3 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | E186 C189 S191 C200 H203 L208 | C184-E186 PolarHBondContact O-N 3.05Å; C184-C189 HydrophobicContact CB-CB 3.92Å; C184-S191 PolarHBondContact N-O 3.05Å; C184-C200 HydrophobicContact CB-CB 4.45Å; C184-H203 PolarHBondContact SG-ND1 3.18Å; C184-L208 HydrophobicContact CB-CD2 4.44Å |
| 185 | S | 85.9 | Confident | 84.7 | Confident | 32 Ų | 32 | 64 Ų | 64 | 22% | 0.224 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -61.5 | -24.7 | 178.4 | 54.2 | 0 | 0 | 0 | 0 | 113.6 | V183 K187 R207 | V183-S185 PolarHBondContact O-N 3.47Å; S185-K187 PolarHBondContact O-N 2.6Å; S185-R207 VanDerWaalsContact CB-O 3.31Å; S185-R207 WeakPolarHBondContact CB-O 3.14Å; S185-R207 PolarHBondContact N-O 3.43Å; S185-R207 PolarHBondContact OG-O 3.48Å |
| 186 | E | 83.7 | Confident | 84.6 | Confident | 95 Ų | 95 | 61.6 Ų | 61.6 | 44% | 0.444 | 35% | 0.351 | S | S | . | . | trans | -74.9 | 111.6 | 177.2 | -61 | -51 | 139.7 | 0 | 0 | 110.7 | C184 A188 C189 H203 A206 | C184-E186 PolarHBondContact O-N 3.05Å; E186-A188 PolarHBondContact O-N 3.37Å; E186-C189 HydrophobicContact CB-CB 4.05Å; E186-C189 WeakPolarHBondContact O-CB 3.46Å; E186-C189 PolarHBondContact O-N 2.8Å; E186-H203 HydrophobicContact CG-CB 4.36Å; E186-A206 HydrophobicContact CG-CB 4.43Å | ||
| 187 | K | 74.5 | Confident | 84.6 | Confident | 212 Ų | 212 | 65.6 Ų | 65.6 | 92% | 0.922 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -33.2 | -175.7 | -69.5 | -165.2 | 178.2 | -172.9 | 0 | 113.1 | S185 C189 | S185-K187 PolarHBondContact O-N 2.6Å; K187-C189 PolarHBondContact O-N 3.28Å |
| 188 | A | 78.8 | Confident | 84.7 | Confident | 109 Ų | 109 | 68.1 Ų | 68.1 | 90% | 0.901 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -11.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E186 | E186-A188 PolarHBondContact O-N 3.37Š|
| 189 | C | 85.1 | Confident | 84.8 | Confident | 19 Ų | 19 | 72.2 Ų | 72.2 | 13% | 0.128 | 38% | 0.38 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -40.9 | -174.6 | -165.3 | 0 | 0 | 0 | 0 | 113.7 | C184 E186 K187 S191 C200 H203 | C184-C189 HydrophobicContact CB-CB 3.92Å; E186-C189 HydrophobicContact CB-CB 4.05Å; E186-C189 WeakPolarHBondContact O-CB 3.46Å; E186-C189 PolarHBondContact O-N 2.8Å; K187-C189 PolarHBondContact O-N 3.28Å; C189-S191 PolarHBondContact O-N 3.28Å; C189-S191 PolarHBondContact SG-OG 2.69Å; C189-C200 PolarHBondContact SG-SG 2.94Å; C189-H203 VanDerWaalsContact CB-CE1 3.42Å; C189-H203 WeakPolarHBondContact CB-CE1 3.44Å; C189-H203 PolarHBondContact SG-CE1 2.86Å; C189-H203 PolarHBondContact SG-ND1 2.98Å |
| 190 | G | 79.3 | Confident | 84.9 | Confident | 55 Ų | 55 | 67.3 Ų | 67.3 | 57% | 0.567 | 36% | 0.357 | S | S | * | . | trans | 59.5 | 2.1 | -175 | 0 | 0 | 0 | 0 | 0 | 116.2 | R192 | G190-R192 PolarHBondContact O-N 2.85Š| ||
| 191 | S | 84.6 | Confident | 84.8 | Confident | 33 Ų | 33 | 67.7 Ų | 67.7 | 23% | 0.231 | 37% | 0.371 | C | S | . | . | trans | -70.9 | 128.4 | -173.1 | -68.5 | 0 | 0 | 0 | 0 | 111.7 | V183 C184 C189 | V183-S191 WeakPolarHBondContact CA-O 3.42Å; C184-S191 PolarHBondContact N-O 3.05Å; C189-S191 PolarHBondContact O-N 3.28Å; C189-S191 PolarHBondContact SG-OG 2.69Å | ||
| 192 | R | 88 | Confident | 84.7 | Confident | 110 Ų | 110 | 74.3 Ų | 74.3 | 42% | 0.415 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 145.1 | -179.3 | -46.3 | -174.4 | 68.2 | 93.2 | 3.2 | 112.2 | K180 F182 V183 G190 E211 | K180-R192 HydrophobicContact CB-CB 3.6Å; K180-R192 HydrophobicContact CD-CB 4.12Å; K180-R192 HydrophobicContact CG-CB 4.48Å; K180-R192 PolarHBondContact O-NE 2.95Å; K180-R192 PolarHBondContact O-NH2 3.47Å; F182-R192 CarbonylContact O-C 3.5Å; F182-R192 VanDerWaalsContact O-CA 3.24Å; F182-R192 WeakPolarHBondContact O-CA 3.43Å; V183-R192 HydrophobicContact CG2-CG 4.1Å; V183-R192 VanDerWaalsContact CG2-CZ 3.42Å; V183-R192 VanDerWaalsContact CG2-NH1 3.34Å; G190-R192 PolarHBondContact O-N 2.85Å; R192-E211 IonicContact CZ-OE2 3.24Å; R192-E211 VanDerWaalsContact CZ-OE2 3.24Å; R192-E211 IonicContact NH1-OE2 2.75Å; R192-E211 PolarHBondContact NH1-OE2 2.98Å; R192-E211 IonicContact NH2-OE2 2.83Å; R192-E211 PolarHBondContact NH2-OE2 3.29Å |
| 193 | F | 85.5 | Confident | 84.6 | Confident | 26 Ų | 26 | 76 Ų | 76 | 11% | 0.114 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 153.5 | -173.6 | -53.8 | -90.8 | 0 | 0 | 0 | 111.8 | K180 F182 R198 C200 L208 | K180-F193 CarbonylContact C-O 3.54Å; K180-F193 VanDerWaalsContact CA-O 3.32Å; K180-F193 WeakPolarHBondContact CA-O 3.14Å; F182-F193 HydrophobicContact CB-CB 4.26Å; F182-F193 PolarHBondContact N-O 2.82Å; F182-F193 PolarHBondContact O-N 3.46Å; F193-R198 HydrophobicContact CB-CB 4.21Å; F193-R198 HydrophobicContact CD1-CB 3.75Å; F193-R198 HydrophobicContact CD1-CG 4.46Å; F193-R198 HydrophobicContact CE1-CB 4.46Å; F193-R198 HydrophobicContact CG-CB 4.13Å; F193-C200 HydrophobicContact CE2-CB 4.25Å; F193-C200 HydrophobicContact CZ-CB 4Å; F193-L208 HydrophobicContact CB-CD1 3.76Å; F193-L208 HydrophobicContact CD2-CD1 3.51Å; F193-L208 HydrophobicContact CD2-CD2 3.47Å; F193-L208 VanDerWaalsContact CD2-CD2 3.47Å; F193-L208 HydrophobicContact CD2-CG 4.15Å; F193-L208 HydrophobicContact CE2-CD1 4.31Å; F193-L208 HydrophobicContact CE2-CD2 3.53Å; F193-L208 HydrophobicContact CG-CD1 3.72Å; F193-L208 HydrophobicContact CG-CD2 4.44Å |
| 194 | T | 85.9 | Confident | 84.3 | Confident | 14 Ų | 14 | 78.5 Ų | 78.5 | 9% | 0.086 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -84.4 | -24.4 | 179.3 | 52.3 | 0 | 0 | 0 | 0 | 113.3 | R174 L175 K180 F182 | R174-T194 PolarHBondContact NH1-O 3.41Å; L175-T194 HydrophobicContact CD2-CG2 4.47Å; K180-T194 HydrophobicContact CG-CG2 3.86Å; F182-T194 WeakPolarHBondContact CE2-O 3.49Å |
| 195 | H | 84.8 | Confident | 84 | Confident | 64 Ų | 64 | 89.2 Ų | 89.2 | 30% | 0.296 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -125.3 | 147.3 | 179.3 | -58.2 | -97.4 | 0 | 0 | 0 | 111.8 | T171 N197 R198 | T171-H195 VanDerWaalsContact CB-CE1 3.49Å; T171-H195 WeakPolarHBondContact CB-CE1 3.5Å; H195-N197 VanDerWaalsContact C-N 3.32Å; H195-N197 PolarHBondContact O-N 2.82Å; H195-R198 HydrophobicContact CB-CG 4.31Å; H195-R198 PolarHBondContact O-N 2.77Å |
| 196 | A | 83.3 | Confident | 83.9 | Confident | 49 Ų | 49 | 88.5 Ų | 88.5 | 41% | 0.405 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -32.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F182 R198 | F182-A196 HydrophobicContact CD1-CB 3.97Å; F182-A196 HydrophobicContact CE1-CB 3.56Å; F182-A196 HydrophobicContact CE2-CB 4.21Å; F182-A196 VanDerWaalsContact CE2-N 3.29Å; F182-A196 HydrophobicContact CG-CB 4.47Å; F182-A196 HydrophobicContact CZ-CB 3.7Å; A196-R198 PolarHBondContact O-N 3.44Å |
| 197 | N | 83.3 | Confident | 83.9 | Confident | 150 Ų | 150 | 94.2 Ų | 94.2 | 80% | 0.802 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | 8.2 | -175.5 | -62.3 | 4.4 | 0 | 0 | 0 | 112.9 | H195 | H195-N197 VanDerWaalsContact C-N 3.32Å; H195-N197 PolarHBondContact O-N 2.82Å |
| 198 | R | 85.1 | Confident | 84.5 | Confident | 142 Ų | 142 | 85 Ų | 85 | 54% | 0.536 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 139.4 | 172.7 | -72.2 | -150.1 | 178.8 | -158.3 | 3.2 | 109.7 | F193 H195 A196 L208 | F193-R198 HydrophobicContact CB-CB 4.21Å; F193-R198 HydrophobicContact CD1-CB 3.75Å; F193-R198 HydrophobicContact CD1-CG 4.46Å; F193-R198 HydrophobicContact CE1-CB 4.46Å; F193-R198 HydrophobicContact CG-CB 4.13Å; H195-R198 HydrophobicContact CB-CG 4.31Å; H195-R198 PolarHBondContact O-N 2.77Å; A196-R198 PolarHBondContact O-N 3.44Å; R198-L208 HydrophobicContact CB-CD1 4.27Å; R198-L208 WeakPolarHBondContact O-CD1 3.31Å; R198-L208 WeakPolarHBondContact O-CG 3.47Å |
| 199 | H | 86.8 | Confident | 85 | Confident | 136 Ų | 136 | 86 Ų | 86 | 63% | 0.63 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -87.5 | 143.4 | 170.9 | -64.4 | -79.5 | 0 | 0 | 0 | 109.8 | P201 P204 | H199-P201 WeakPolarHBondContact O-CD 3.35Å; H199-P204 PolarHBondContact ND1-O 3.21Å |
| 200 | C | 86.9 | Confident | 85 | Confident | 0 Ų | 0 | 92.2 Ų | 92.2 | 0% | 0 | 44% | 0.443 | C | S | . | . | B | Isolated β-bridge | trans | -74.6 | 126 | 169.3 | -179 | 0 | 0 | 0 | 0 | 108.7 | C184 C189 F193 K202 H203 P204 | C184-C200 HydrophobicContact CB-CB 4.45Å; C189-C200 PolarHBondContact SG-SG 2.94Å; F193-C200 HydrophobicContact CE2-CB 4.25Å; F193-C200 HydrophobicContact CZ-CB 4Å; C200-K202 PolarHBondContact O-N 3.03Å; C200-H203 HydrophobicContact CB-CB 4.09Å; C200-H203 CarbonylContact O-C 3.57Å; C200-H203 PolarHBondContact O-N 3.15Å; C200-P204 WeakPolarHBondContact O-CA 3.43Å |
| 201 | P | 85.8 | Confident | 85.2 | Confident | 116 Ų | 116 | 93.5 Ų | 93.5 | 75% | 0.753 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -32.9 | 179.8 | -24.9 | 33.8 | 0 | 0 | 0 | 113.2 | H199 | H199-P201 WeakPolarHBondContact O-CD 3.35Š|
| 202 | K | 84.5 | Confident | 84.8 | Confident | 155 Ų | 155 | 97 Ų | 97 | 67% | 0.674 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -24.2 | 178 | -60.7 | -176 | 178.7 | -178.4 | 0 | 112.7 | C200 | C200-K202 PolarHBondContact O-N 3.03Š|
| 203 | H | 85.2 | Confident | 83.6 | Confident | 58 Ų | 58 | 96 Ų | 96 | 27% | 0.269 | 46% | 0.458 | S | S | . | . | B | Isolated β-bridge | trans | -139.2 | 72.8 | -173.7 | -48 | 117 | 0 | 0 | 0 | 110.2 | C184 E186 C189 C200 Y205 A206 | C184-H203 PolarHBondContact SG-ND1 3.18Å; E186-H203 HydrophobicContact CG-CB 4.36Å; C189-H203 VanDerWaalsContact CB-CE1 3.42Å; C189-H203 WeakPolarHBondContact CB-CE1 3.44Å; C189-H203 PolarHBondContact SG-CE1 2.86Å; C189-H203 PolarHBondContact SG-ND1 2.98Å; C200-H203 HydrophobicContact CB-CB 4.09Å; C200-H203 CarbonylContact O-C 3.57Å; C200-H203 PolarHBondContact O-N 3.15Å; H203-Y205 PolarHBondContact O-N 3.38Å; H203-Y205 VanDerWaalsContact O-N 3.15Å; H203-A206 HydrophobicContact CB-CB 3.46Å; H203-A206 VanDerWaalsContact CB-CB 3.46Å; H203-A206 WeakPolarHBondContact O-CB 3.38Å; H203-A206 PolarHBondContact O-N 2.94Å |
| 204 | P | 82.4 | Confident | 81.9 | Confident | 67 Ų | 67 | 104.3 Ų | 104.3 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -28 | -170.7 | 20.8 | -31.9 | 0 | 0 | 0 | 113.6 | H199 C200 | H199-P204 PolarHBondContact ND1-O 3.21Å; C200-P204 WeakPolarHBondContact O-CA 3.43Å |
| 205 | Y | 84.9 | Confident | 79.8 | Confident | 231 Ų | 231 | 113 Ų | 113 | 91% | 0.906 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -9.9 | 178.5 | -55.4 | -68.3 | 0 | 0 | 0 | 114 | H203 R207 | H203-Y205 PolarHBondContact O-N 3.38Å; H203-Y205 VanDerWaalsContact O-N 3.15Å; Y205-R207 PolarHBondContact O-N 3.46Å |
| 206 | A | 82.9 | Confident | 77.3 | Confident | 18 Ų | 18 | 111.9 Ų | 111.9 | 15% | 0.149 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 129.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | E186 H203 | E186-A206 HydrophobicContact CG-CB 4.43Å; H203-A206 HydrophobicContact CB-CB 3.46Å; H203-A206 VanDerWaalsContact CB-CB 3.46Å; H203-A206 WeakPolarHBondContact O-CB 3.38Å; H203-A206 PolarHBondContact O-N 2.94Å |
| 207 | R | 83.5 | Confident | 75 | Confident | 215 Ų | 215 | 115.4 Ų | 115.4 | 81% | 0.811 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 135 | 174.5 | -175.2 | -179.4 | -88.5 | -167.8 | -3.8 | 109.3 | S185 Y205 K209 | S185-R207 VanDerWaalsContact CB-O 3.31Å; S185-R207 WeakPolarHBondContact CB-O 3.14Å; S185-R207 PolarHBondContact N-O 3.43Å; S185-R207 PolarHBondContact OG-O 3.48Å; Y205-R207 PolarHBondContact O-N 3.46Å; R207-K209 PolarHBondContact O-N 3.28Å |
| 208 | L | 88.5 | Confident | 72.8 | Confident | 18 Ų | 18 | 115.8 Ų | 115.8 | 9% | 0.094 | 56% | 0.56 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.7 | 169.4 | -56.3 | -174.6 | 0 | 0 | 0 | 110 | F182 V183 C184 F193 R198 | F182-L208 HydrophobicContact CB-CB 4.02Å; F182-L208 HydrophobicContact CB-CD1 3.89Å; V183-L208 CarbonylContact O-C 3.35Å; V183-L208 WeakPolarHBondContact O-CA 3.43Å; C184-L208 HydrophobicContact CB-CD2 4.44Å; F193-L208 HydrophobicContact CB-CD1 3.76Å; F193-L208 HydrophobicContact CD2-CD1 3.51Å; F193-L208 HydrophobicContact CD2-CD2 3.47Å; F193-L208 VanDerWaalsContact CD2-CD2 3.47Å; F193-L208 HydrophobicContact CD2-CG 4.15Å; F193-L208 HydrophobicContact CE2-CD1 4.31Å; F193-L208 HydrophobicContact CE2-CD2 3.53Å; F193-L208 HydrophobicContact CG-CD1 3.72Å; F193-L208 HydrophobicContact CG-CD2 4.44Å; R198-L208 HydrophobicContact CB-CD1 4.27Å; R198-L208 WeakPolarHBondContact O-CD1 3.31Å; R198-L208 WeakPolarHBondContact O-CG 3.47Å |
| 209 | K | 87.9 | Confident | 70.2 | Confident | 130 Ų | 130 | 117 Ų | 117 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.6 | 134 | 170.8 | -67.8 | -178.3 | 177.8 | 174.5 | 0 | 108.4 | F182 V183 R207 E211 | F182-K209 CarbonylContact C-O 3.49Å; F182-K209 WeakPolarHBondContact CA-O 3.45Å; V183-K209 PolarHBondContact N-O 3.02Å; V183-K209 PolarHBondContact O-N 3.46Å; R207-K209 PolarHBondContact O-N 3.28Å; K209-E211 PolarHBondContact O-N 3.24Å |
| 210 | R | 86.4 | Confident | 67.9 | Low | 149 Ų | 149 | 114.9 Ų | 114.9 | 56% | 0.562 | 58% | 0.576 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.3 | 117 | 168.2 | -175.2 | 177.3 | 176.4 | -131.2 | -6 | 106.9 | F182 D212 | F182-R210 HydrophobicContact CD1-CB 4.04Å; F182-R210 HydrophobicContact CD1-CG 4.39Å; F182-R210 HydrophobicContact CE1-CB 3.93Å; F182-R210 HydrophobicContact CE1-CG 4.06Å; R210-D212 IonicContact CZ-OD1 3.53Å; R210-D212 VanDerWaalsContact CZ-OD1 3.31Å; R210-D212 IonicContact NE-OD1 3.65Å; R210-D212 IonicContact NH1-OD1 3.81Å; R210-D212 PolarHBondContact NH1-OD1 3.35Å; R210-D212 IonicContact NH2-OD1 3.29Å |
| 211 | E | 82.7 | Confident | 65.7 | Low | 83 Ų | 83 | 122.5 Ų | 122.5 | 39% | 0.388 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -84.4 | 122.4 | 160 | -67.8 | -178 | 170.6 | 0 | 0 | 106 | P181 V183 R192 K209 | P181-E211 PolarHBondContact O-N 2.93Å; V183-E211 HydrophobicContact CB-CG 4.43Å; V183-E211 HydrophobicContact CG2-CG 3.85Å; V183-E211 WeakPolarHBondContact CG2-OE2 3.34Å; R192-E211 IonicContact CZ-OE2 3.24Å; R192-E211 VanDerWaalsContact CZ-OE2 3.24Å; R192-E211 IonicContact NH1-OE2 2.75Å; R192-E211 PolarHBondContact NH1-OE2 2.98Å; R192-E211 IonicContact NH2-OE2 2.83Å; R192-E211 PolarHBondContact NH2-OE2 3.29Å; K209-E211 PolarHBondContact O-N 3.24Å |
| 212 | D | 75.3 | Confident | 63.7 | Low | 105 Ų | 105 | 121.1 Ų | 121.1 | 56% | 0.561 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -60 | 140.7 | 163.8 | -65.8 | -52.4 | 0 | 0 | 0 | 107.2 | R210 K214 | R210-D212 IonicContact CZ-OD1 3.53Å; R210-D212 VanDerWaalsContact CZ-OD1 3.31Å; R210-D212 IonicContact NE-OD1 3.65Å; R210-D212 IonicContact NH1-OD1 3.81Å; R210-D212 PolarHBondContact NH1-OD1 3.35Å; R210-D212 IonicContact NH2-OD1 3.29Å; D212-K214 PolarHBondContact O-N 2.9Å |
| 213 | P | 63.5 | Low | 62.3 | Low | 89 Ų | 89 | 118.2 Ų | 118.2 | 58% | 0.578 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 123 | 168.2 | -20.6 | 31 | 0 | 0 | 0 | 105.7 | E215 | P213-E215 PolarHBondContact O-N 3.22Š|
| 214 | K | 50.2 | Low | 61.1 | Low | 201 Ų | 201 | 120.5 Ų | 120.5 | 87% | 0.874 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 117.2 | 171 | -70.6 | -177.4 | -179.6 | 178.8 | 0 | 104.1 | D212 G216 | D212-K214 PolarHBondContact O-N 2.9Å; K214-G216 PolarHBondContact O-N 3.37Å |
| 215 | E | 41.6 | Very low | 60.6 | Low | 197 Ų | 197 | 124 Ų | 124 | 92% | 0.921 | 63% | 0.628 | S | S | * | * | trans | -61.7 | 73 | 151.6 | -67.4 | -172.5 | 178.9 | 0 | 0 | 104.8 | P213 | P213-E215 PolarHBondContact O-N 3.22Š| ||
| 216 | G | 32.5 | Very low | 60.1 | Low | 40 Ų | 40 | 120 Ų | 120 | 41% | 0.412 | 62% | 0.616 | S | S | . | * | trans | -56.1 | 154.5 | 142.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | K214 N218 | K214-G216 PolarHBondContact O-N 3.37Å; G216-N218 PolarHBondContact O-N 2.94Å | ||
| 217 | P | 35 | Very low | 59.5 | Low | 124 Ų | 124 | 121.9 Ų | 121.9 | 81% | 0.805 | 63% | 0.631 | S | S | * | * | trans | -61.8 | 90.3 | 168.4 | 30.4 | -32.4 | 0 | 0 | 0 | 105.9 | K219 | P217-K219 PolarHBondContact O-N 3.39Š| ||
| 218 | N | 37.1 | Very low | 59 | Low | 158 Ų | 158 | 114.6 Ų | 114.6 | 85% | 0.845 | 61% | 0.61 | S | S | * | * | -54 | 89.2 | 126.8 | -96.7 | -28.6 | 0 | 0 | 0 | 102.8 | G216 A220 | G216-N218 PolarHBondContact O-N 2.94Å; N218-A220 PolarHBondContact O-N 2.86Å | |||
| 219 | K | 31.5 | Very low | 58.1 | Low | 167 Ų | 167 | 116.3 Ų | 116.3 | 73% | 0.726 | 63% | 0.627 | S | S | * | * | -35.4 | 111.2 | 122 | -73.5 | -179.7 | 178.3 | 179.2 | 0 | 102.8 | P217 Q221 | P217-K219 PolarHBondContact O-N 3.39Å; K219-Q221 PolarHBondContact O-N 3.18Å | |||
| 220 | A | 37.8 | Very low | 57.7 | Low | 92 Ų | 92 | 114.4 Ų | 114.4 | 76% | 0.76 | 62% | 0.621 | S | S | * | * | trans | -44.5 | 93.9 | 131.6 | 0 | 0 | 0 | 0 | 0 | 102.7 | N218 S222 | N218-A220 PolarHBondContact O-N 2.86Å; A220-S222 PolarHBondContact O-N 3.35Å | ||
| 221 | Q | 39.8 | Very low | 57.5 | Low | 159 Ų | 159 | 114.9 Ų | 114.9 | 74% | 0.743 | 62% | 0.622 | S | S | * | * | trans | -51.8 | 104.4 | 143.2 | -78.8 | -175.1 | -36.4 | 0 | 0 | 99.1 | K219 V223 | K219-Q221 PolarHBondContact O-N 3.18Å; Q221-V223 PolarHBondContact O-N 3.15Å | ||
| 222 | S | 44.8 | Very low | 57.2 | Low | 88 Ų | 88 | 114.4 Ų | 114.4 | 62% | 0.615 | 62% | 0.622 | S | S | * | * | trans | -35.3 | 87.1 | 149.2 | 162.8 | 0 | 0 | 0 | 0 | 104.2 | A220 D224 | A220-S222 PolarHBondContact O-N 3.35Å; S222-D224 PolarHBondContact O-N 3.36Å; S222-D224 PolarHBondContact OG-OD1 3.46Å | ||
| 223 | V | 55.6 | Low | 57.3 | Low | 94 Ų | 94 | 111.6 Ų | 111.6 | 57% | 0.57 | 61% | 0.614 | S | S | * | * | trans | -65.5 | 102.8 | 161.1 | -82.7 | 0 | 0 | 0 | 0 | 98.7 | Q221 N225 V228 | Q221-V223 PolarHBondContact O-N 3.15Å; V223-N225 PolarHBondContact O-N 3.29Å; V223-V228 HydrophobicContact CB-CG2 4.02Å; V223-V228 HydrophobicContact CG2-CG2 3.96Å | ||
| 224 | D | 60.3 | Low | 58.1 | Low | 105 Ų | 105 | 113.8 Ų | 113.8 | 56% | 0.561 | 61% | 0.614 | S | S | * | * | trans | -44.1 | 119.1 | -176.1 | -69.7 | -45.3 | 0 | 0 | 0 | 105.9 | S222 K226 A227 V228 | S222-D224 PolarHBondContact O-N 3.36Å; S222-D224 PolarHBondContact OG-OD1 3.46Å; D224-K226 HydrophobicContact CB-CB 4.38Å; D224-K226 CarbonylContact O-C 3.58Å; D224-K226 PolarHBondContact O-N 3.47Å; D224-A227 PolarHBondContact O-N 3.41Å; D224-V228 PolarHBondContact O-N 3.44Å | ||
| 225 | N | 70.1 | Confident | 59.3 | Low | 140 Ų | 140 | 109.6 Ų | 109.6 | 75% | 0.749 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -55 | -20.5 | -174.9 | -72.6 | -37 | 0 | 0 | 0 | 110.6 | V223 A229 | V223-N225 PolarHBondContact O-N 3.29Å; N225-A229 WeakPolarHBondContact O-CB 3.42Å; N225-A229 PolarHBondContact O-N 3.5Å |
| 226 | K | 75.6 | Confident | 60.6 | Low | 149 Ų | 149 | 106.2 Ų | 106.2 | 65% | 0.648 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -59.2 | -49.8 | 166 | -170.6 | 175.7 | 179.4 | -178.4 | 0 | 114.5 | D224 V228 A229 E230 | D224-K226 HydrophobicContact CB-CB 4.38Å; D224-K226 CarbonylContact O-C 3.58Å; D224-K226 PolarHBondContact O-N 3.47Å; K226-V228 VanDerWaalsContact C-N 3.33Å; K226-V228 PolarHBondContact O-N 3.33Å; K226-A229 PolarHBondContact O-N 3.2Å; K226-E230 WeakPolarHBondContact CE-OE1 3.44Å; K226-E230 HydrophobicContact CG-CG 4.49Å; K226-E230 WeakPolarHBondContact CG-OE1 3.42Å; K226-E230 WeakPolarHBondContact O-CB 3.21Å; K226-E230 VanDerWaalsContact O-CG 3.26Å; K226-E230 WeakPolarHBondContact O-CG 3.37Å; K226-E230 PolarHBondContact O-N 2.98Å |
| 227 | A | 69.4 | Low | 62.5 | Low | 56 Ų | 56 | 109.9 Ų | 109.9 | 46% | 0.463 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.3 | -35.8 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | D224 W231 | D224-A227 PolarHBondContact O-N 3.41Å; A227-W231 WeakPolarHBondContact O-CB 3.45Å; A227-W231 PolarHBondContact O-N 3.37Å |
| 228 | V | 73.2 | Confident | 64 | Low | 62 Ų | 62 | 108.3 Ų | 108.3 | 38% | 0.376 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.8 | -42.4 | 173.8 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | V223 D224 K226 W231 L232 | V223-V228 HydrophobicContact CB-CG2 4.02Å; V223-V228 HydrophobicContact CG2-CG2 3.96Å; D224-V228 PolarHBondContact O-N 3.44Å; K226-V228 VanDerWaalsContact C-N 3.33Å; K226-V228 PolarHBondContact O-N 3.33Å; V228-W231 PolarHBondContact O-N 3.48Å; V228-L232 HydrophobicContact CG1-CD1 4.22Å; V228-L232 WeakPolarHBondContact O-CB 3.45Å; V228-L232 VanDerWaalsContact O-CG 3.31Å; V228-L232 WeakPolarHBondContact O-CG 3.34Å; V228-L232 PolarHBondContact O-N 3.19Å |
| 229 | A | 70.7 | Confident | 65.1 | Low | 55 Ų | 55 | 107.6 Ų | 107.6 | 46% | 0.455 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.9 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N225 K226 L232 A233 | N225-A229 WeakPolarHBondContact O-CB 3.42Å; N225-A229 PolarHBondContact O-N 3.5Å; K226-A229 PolarHBondContact O-N 3.2Å; A229-L232 PolarHBondContact O-N 3.46Å; A229-A233 VanDerWaalsContact O-CB 3.3Å; A229-A233 WeakPolarHBondContact O-CB 3.4Å; A229-A233 PolarHBondContact O-N 3.02Å |
| 230 | E | 78.3 | Confident | 66.3 | Low | 90 Ų | 90 | 106.9 Ų | 106.9 | 42% | 0.421 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.3 | -39.5 | 175.6 | -76.8 | 175 | -169.2 | 0 | 0 | 111.8 | K226 A233 K234 | K226-E230 WeakPolarHBondContact CE-OE1 3.44Å; K226-E230 HydrophobicContact CG-CG 4.49Å; K226-E230 WeakPolarHBondContact CG-OE1 3.42Å; K226-E230 WeakPolarHBondContact O-CB 3.21Å; K226-E230 VanDerWaalsContact O-CG 3.26Å; K226-E230 WeakPolarHBondContact O-CG 3.37Å; K226-E230 PolarHBondContact O-N 2.98Å; E230-A233 PolarHBondContact O-N 3.42Å; E230-K234 WeakPolarHBondContact O-CB 3.34Å; E230-K234 WeakPolarHBondContact O-CG 3.37Å; E230-K234 PolarHBondContact O-N 3.17Å |
| 231 | W | 83.4 | Confident | 67 | Low | 158 Ų | 158 | 110.1 Ų | 110.1 | 60% | 0.598 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.9 | -45.3 | 173.5 | -179.1 | 87.9 | 0 | 0 | 0 | 111.5 | A227 V228 A233 K234 Y235 | A227-W231 WeakPolarHBondContact O-CB 3.45Å; A227-W231 PolarHBondContact O-N 3.37Å; V228-W231 PolarHBondContact O-N 3.48Å; W231-A233 VanDerWaalsContact C-N 3.35Å; W231-A233 PolarHBondContact O-N 3.19Å; W231-K234 PolarHBondContact O-N 3.36Å; W231-Y235 HydrophobicContact CH2-CD2 4.21Å; W231-Y235 HydrophobicContact CH2-CG 4.42Å; W231-Y235 HydrophobicContact CZ2-CD2 4.35Å; W231-Y235 VanDerWaalsContact O-CB 3.31Å; W231-Y235 WeakPolarHBondContact O-CB 3.42Å; W231-Y235 PolarHBondContact O-N 3.47Å |
| 232 | L | 76.1 | Confident | 67.5 | Low | 74 Ų | 74 | 113 Ų | 113 | 39% | 0.387 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.9 | -43.9 | 175.2 | -74.5 | 169.6 | 0 | 0 | 0 | 111 | V228 A229 K234 Y235 W236 | V228-L232 HydrophobicContact CG1-CD1 4.22Å; V228-L232 WeakPolarHBondContact O-CB 3.45Å; V228-L232 VanDerWaalsContact O-CG 3.31Å; V228-L232 WeakPolarHBondContact O-CG 3.34Å; V228-L232 PolarHBondContact O-N 3.19Å; A229-L232 PolarHBondContact O-N 3.46Å; L232-K234 PolarHBondContact O-N 3.23Å; L232-Y235 WeakPolarHBondContact O-CB 3.38Å; L232-Y235 PolarHBondContact O-N 3.17Å; L232-W236 PolarHBondContact O-N 3.46Å |
| 233 | A | 77.6 | Confident | 67.6 | Low | 46 Ų | 46 | 112.3 Ų | 112.3 | 38% | 0.38 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.9 | -44.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A229 E230 W231 W236 Q237 | A229-A233 VanDerWaalsContact O-CB 3.3Å; A229-A233 WeakPolarHBondContact O-CB 3.4Å; A229-A233 PolarHBondContact O-N 3.02Å; E230-A233 PolarHBondContact O-N 3.42Å; W231-A233 VanDerWaalsContact C-N 3.35Å; W231-A233 PolarHBondContact O-N 3.19Å; A233-W236 PolarHBondContact O-N 3.13Å; A233-Q237 WeakPolarHBondContact O-CB 3.39Å; A233-Q237 VanDerWaalsContact O-CG 3.3Å; A233-Q237 WeakPolarHBondContact O-CG 3.47Å; A233-Q237 PolarHBondContact O-N 3.43Å |
| 234 | K | 79.6 | Confident | 67.3 | Low | 135 Ų | 135 | 113.6 Ų | 113.6 | 59% | 0.587 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.2 | -45.4 | 173.4 | -74.2 | 173.1 | -178 | 173.3 | 0 | 111 | E230 W231 L232 W236 Q237 T238 | E230-K234 WeakPolarHBondContact O-CB 3.34Å; E230-K234 WeakPolarHBondContact O-CG 3.37Å; E230-K234 PolarHBondContact O-N 3.17Å; W231-K234 PolarHBondContact O-N 3.36Å; L232-K234 PolarHBondContact O-N 3.23Å; K234-W236 PolarHBondContact O-N 3.09Å; K234-Q237 PolarHBondContact O-N 3.42Å; K234-T238 PolarHBondContact O-N 3.3Å; K234-T238 PolarHBondContact O-OG1 2.77Å |
| 235 | Y | 75.4 | Confident | 66.7 | Low | 112 Ų | 112 | 114.7 Ų | 114.7 | 44% | 0.439 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -57.8 | -44.3 | 178.5 | 176.2 | -93.6 | 0 | 0 | 0 | 112.7 | W231 L232 R239 | W231-Y235 HydrophobicContact CH2-CD2 4.21Å; W231-Y235 HydrophobicContact CH2-CG 4.42Å; W231-Y235 HydrophobicContact CZ2-CD2 4.35Å; W231-Y235 VanDerWaalsContact O-CB 3.31Å; W231-Y235 WeakPolarHBondContact O-CB 3.42Å; W231-Y235 PolarHBondContact O-N 3.47Å; L232-Y235 WeakPolarHBondContact O-CB 3.38Å; L232-Y235 PolarHBondContact O-N 3.17Å; Y235-R239 VanDerWaalsContact O-CB 3.3Å; Y235-R239 WeakPolarHBondContact O-CB 3.15Å; Y235-R239 PolarHBondContact O-N 2.75Å; Y235-R239 VanDerWaalsContact O-N 3.11Å |
| 236 | W | 68.6 | Low | 65.2 | Low | 126 Ų | 126 | 113.1 Ų | 113.1 | 48% | 0.477 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.2 | -41.7 | 176.1 | -71.4 | 110.6 | 0 | 0 | 0 | 112.1 | L232 A233 K234 T238 R239 E240 | L232-W236 PolarHBondContact O-N 3.46Å; A233-W236 PolarHBondContact O-N 3.13Å; K234-W236 PolarHBondContact O-N 3.09Å; W236-T238 PolarHBondContact O-N 3.2Å; W236-R239 WeakPolarHBondContact O-CB 3.39Å; W236-R239 PolarHBondContact O-N 3.13Å; W236-R239 VanDerWaalsContact O-N 3.1Å; W236-E240 PolarHBondContact O-N 3.35Å |
| 237 | Q | 72.1 | Confident | 63.8 | Low | 118 Ų | 118 | 112.4 Ų | 112.4 | 55% | 0.551 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.8 | -43.6 | 174.6 | -75.2 | 173 | 4.2 | 0 | 0 | 112.8 | A233 K234 R239 E240 Q241 | A233-Q237 WeakPolarHBondContact O-CB 3.39Å; A233-Q237 VanDerWaalsContact O-CG 3.3Å; A233-Q237 WeakPolarHBondContact O-CG 3.47Å; A233-Q237 PolarHBondContact O-N 3.43Å; K234-Q237 PolarHBondContact O-N 3.42Å; Q237-R239 PolarHBondContact O-N 3.42Å; Q237-E240 PolarHBondContact O-N 3.19Å; Q237-Q241 WeakPolarHBondContact O-CG 3.46Å; Q237-Q241 PolarHBondContact O-N 3.1Å |
| 238 | T | 67.8 | Low | 62.4 | Low | 90 Ų | 90 | 119.4 Ų | 119.4 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.7 | -26.1 | 177.2 | -34.8 | 0 | 0 | 0 | 0 | 112.1 | K234 W236 R242 | K234-T238 PolarHBondContact O-N 3.3Å; K234-T238 PolarHBondContact O-OG1 2.77Å; W236-T238 PolarHBondContact O-N 3.2Å; T238-R242 PolarHBondContact O-N 2.93Å |
| 239 | R | 60 | Low | 60.6 | Low | 144 Ų | 144 | 119.7 Ų | 119.7 | 54% | 0.543 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -79.8 | -36.1 | 177.7 | -174.6 | 179.6 | 149.4 | 152.2 | -3.5 | 112.2 | Y235 W236 Q237 Q241 R242 | Y235-R239 VanDerWaalsContact O-CB 3.3Å; Y235-R239 WeakPolarHBondContact O-CB 3.15Å; Y235-R239 PolarHBondContact O-N 2.75Å; Y235-R239 VanDerWaalsContact O-N 3.11Å; W236-R239 WeakPolarHBondContact O-CB 3.39Å; W236-R239 PolarHBondContact O-N 3.13Å; W236-R239 VanDerWaalsContact O-N 3.1Å; Q237-R239 PolarHBondContact O-N 3.42Å; R239-Q241 VanDerWaalsContact C-N 3.31Å; R239-R242 PolarHBondContact O-N 3.05Å |
| 240 | E | 57.2 | Low | 58.7 | Low | 152 Ų | 152 | 125.6 Ų | 125.6 | 71% | 0.71 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.9 | -34.1 | 171.8 | -120.5 | 95.1 | -140.5 | 0 | 0 | 112 | W236 Q237 R242 | W236-E240 PolarHBondContact O-N 3.35Å; Q237-E240 PolarHBondContact O-N 3.19Å; E240-R242 VanDerWaalsContact C-N 3.34Å |
| 241 | Q | 51.6 | Low | 56.7 | Low | 160 Ų | 160 | 127 Ų | 127 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -78.3 | -14.8 | 178.7 | -68.7 | -179.7 | 19.8 | 0 | 0 | 113.9 | Q237 R239 A243 | Q237-Q241 WeakPolarHBondContact O-CG 3.46Å; Q237-Q241 PolarHBondContact O-N 3.1Å; R239-Q241 VanDerWaalsContact C-N 3.31Å; Q241-A243 PolarHBondContact O-N 2.88Å |
| 242 | R | 50.8 | Low | 54.2 | Low | 219 Ų | 219 | 127.9 Ų | 127.9 | 83% | 0.826 | 66% | 0.66 | S | S | * | * | trans | -78.6 | 74 | 164.9 | -87.2 | -177.5 | 173.4 | 171.8 | -0.9 | 109.2 | T238 R239 E240 | T238-R242 PolarHBondContact O-N 2.93Å; R239-R242 PolarHBondContact O-N 3.05Å; E240-R242 VanDerWaalsContact C-N 3.34Å | ||
| 243 | A | 46.8 | Very low | 52.2 | Low | 74 Ų | 74 | 127.5 Ų | 127.5 | 61% | 0.612 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 147.6 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q241 V245 | Q241-A243 PolarHBondContact O-N 2.88Å; A243-V245 PolarHBondContact O-N 3.11Å |
| 244 | P | 49.1 | Very low | 50.1 | Low | 121 Ų | 121 | 135.8 Ų | 135.8 | 79% | 0.786 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 130 | 173.1 | 24.1 | -32.1 | 0 | 0 | 0 | 109 | ||
| 245 | V | 47 | Very low | 47.6 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 124 | 174.8 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | A243 T247 | A243-V245 PolarHBondContact O-N 3.11Å; V245-T247 PolarHBondContact O-N 3.33Å |
| 246 | P | 38.9 | Very low | 45.4 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 70% | 0.695 | 73% | 0.732 | S | S | * | * | trans | -60.5 | 116 | 171.9 | 23.5 | -30.4 | 0 | 0 | 0 | 107.2 | K248 | P246-K248 VanDerWaalsContact C-N 3.32Å; P246-K248 PolarHBondContact O-N 3.41Å | ||
| 247 | T | 46.5 | Very low | 43.5 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 83% | 0.828 | 75% | 0.746 | S | S | * | * | trans | -60.9 | 98.7 | 169.4 | 49.7 | 0 | 0 | 0 | 0 | 106.7 | V245 G249 | V245-T247 PolarHBondContact O-N 3.33Å; T247-G249 PolarHBondContact O-N 3.07Å; T247-G249 VanDerWaalsContact O-N 3.09Å | ||
| 248 | K | 39.1 | Very low | 41.5 | Very low | 203 Ų | 203 | 134.4 Ų | 134.4 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 119.1 | 172.3 | -80.9 | -173.8 | 175.8 | -179 | 0 | 107.4 | P246 | P246-K248 VanDerWaalsContact C-N 3.32Å; P246-K248 PolarHBondContact O-N 3.41Å |
| 249 | G | 36.5 | Very low | 39.6 | Very low | 67 Ų | 67 | 136.8 Ų | 136.8 | 69% | 0.691 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 140.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | T247 P251 | T247-G249 PolarHBondContact O-N 3.07Å; T247-G249 VanDerWaalsContact O-N 3.09Å; G249-P251 WeakPolarHBondContact O-CD 3.41Å |
| 250 | K | 30.3 | Very low | 38.1 | Very low | 180 Ų | 180 | 137.8 Ų | 137.8 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 119.1 | 172.4 | -173 | 171.6 | -174.1 | 177.1 | 0 | 109.2 | Q252 | K250-Q252 PolarHBondContact O-N 3.44Š|
| 251 | P | 36.2 | Very low | 36.9 | Very low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -77.2 | 113.2 | 160.4 | 23.9 | -16.2 | 0 | 0 | 0 | 107.6 | G249 | G249-P251 WeakPolarHBondContact O-CD 3.41Š| ||
| 252 | Q | 32.2 | Very low | 35.7 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -75.5 | 120.9 | 158.3 | -74.4 | -176.6 | -18.7 | 0 | 0 | 106.9 | K250 | K250-Q252 PolarHBondContact O-N 3.44Š| ||
| 253 | G | 32.2 | Very low | 34.7 | Very low | 66 Ų | 66 | 137.5 Ų | 137.5 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | -100.7 | -157.8 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 254 | K | 33.9 | Very low | 33.9 | Very low | 219 Ų | 219 | 141.4 Ų | 141.4 | 95% | 0.952 | 80% | 0.797 | S | S | * | * | trans | 166 | 127.8 | 161.6 | -91.5 | 165.2 | -171.7 | -169.5 | 0 | 102.6 | ||||
| 255 | G | 28.1 | Very low | 33.6 | Very low | 83 Ų | 83 | 140.9 Ų | 140.9 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | cis | 155 | 149.7 | 13.1 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 256 | G | 28.4 | Very low | 32.8 | Very low | 81 Ų | 81 | 146.3 Ų | 146.3 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 122.7 | 102.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 257 | V | 29.9 | Very low | 32.3 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -59.8 | 137.6 | 150.5 | 178.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 258 | E | 28.7 | Very low | 31.3 | Very low | 171 Ų | 171 | 151.1 Ų | 151.1 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | 176.4 | 178.6 | 77.1 | -140.4 | 145.8 | -134.7 | 0 | 0 | 109.7 | |||||
| 259 | D | 27.7 | Very low | 30.9 | Very low | 140 Ų | 140 | 146.2 Ų | 146.2 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | trans | -62.4 | 159.6 | -158 | -62.2 | -69.8 | 0 | 0 | 0 | 121.7 | ||||
| 260 | Q | 29.2 | Very low | 30.5 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 72.3 | 122.6 | 141 | -93.9 | 179.7 | -30.1 | 0 | 0 | 123.2 | ||||
| 261 | E | 30.8 | Very low | 30.3 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | trans | 75.1 | 115.3 | 130.4 | -153.6 | 154.4 | 121.3 | 0 | 0 | 118.4 | ||||
| 262 | Q | 28.1 | Very low | 29.8 | Very low | 196 Ų | 196 | 147.3 Ų | 147.3 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -148.3 | 116 | 154.3 | -110.4 | 154.2 | 48.1 | 0 | 0 | 111.4 | ||||
| 263 | Q | 29.1 | Very low | 30 | Very low | 173 Ų | 173 | 147.5 Ų | 147.5 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | -90.5 | 136.7 | 156.9 | -115.6 | 163.4 | -2.4 | 0 | 0 | 108.6 | ||||
| 264 | D | 29.6 | Very low | 30.1 | Very low | 157 Ų | 157 | 152.9 Ų | 152.9 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | 54.4 | 147.6 | 157.1 | -97 | -29.5 | 0 | 0 | 0 | 122.8 | ||||
| 265 | P | 43.1 | Very low | 30.1 | Very low | 109 Ų | 109 | 150.2 Ų | 150.2 | 71% | 0.708 | 78% | 0.777 | S | S | * | * | trans | -99.6 | 144.4 | -168.9 | 38.5 | -31.3 | 0 | 0 | 0 | 112.7 | ||||
| 266 | R | 30.3 | Very low | 30.3 | Very low | 242 Ų | 242 | 154.3 Ų | 154.3 | 91% | 0.913 | 77% | 0.774 | S | S | * | * | trans | -143.7 | 144 | 149.6 | -96.7 | -166.3 | 179.4 | -161.2 | -1.9 | 112.1 | ||||
| 267 | E | 29.3 | Very low | 30.6 | Very low | 169 Ų | 169 | 158.7 Ų | 158.7 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | -38.7 | 149.8 | 179.3 | -55.4 | 170.5 | 139.9 | 0 | 0 | 116.1 | ||||
| 268 | F | 25.1 | Very low | 30.9 | Very low | 174 Ų | 174 | 160.8 Ų | 160.8 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | 141.9 | 122.5 | 100.9 | -154.3 | -120.2 | 0 | 0 | 0 | 112 | |||||
| 269 | L | 29.6 | Very low | 31.5 | Very low | 99 Ų | 99 | 157.5 Ų | 157.5 | 52% | 0.518 | 77% | 0.768 | S | S | . | * | trans | 57.7 | 128.1 | 150.1 | -68.6 | -168.7 | 0 | 0 | 0 | 122.9 | ||||
| 270 | Q | 28.2 | Very low | 31.6 | Very low | 162 Ų | 162 | 159 Ų | 159 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | 77.9 | 138.2 | 130.8 | -75.8 | 169.6 | -11.9 | 0 | 0 | 116.4 | ||||
| 271 | S | 25.9 | Very low | 31.8 | Very low | 85 Ų | 85 | 159.9 Ų | 159.9 | 59% | 0.594 | 78% | 0.777 | S | S | * | * | cis | -174.4 | 153.5 | 5.5 | 20.8 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 272 | D | 27.3 | Very low | 31.8 | Very low | 144 Ų | 144 | 160.2 Ų | 160.2 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 47.5 | 125.9 | 136.5 | -42.4 | -26.1 | 0 | 0 | 0 | 117.6 | ||||
| 273 | E | 35.2 | Very low | 32 | Very low | 179 Ų | 179 | 160.5 Ų | 160.5 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | -169.1 | 123.2 | 74.9 | -78.5 | 160.6 | 168.9 | 0 | 0 | 106 | |||||
| 274 | E | 34.9 | Very low | 32.2 | Very low | 179 Ų | 179 | 160.4 Ų | 160.4 | 84% | 0.836 | 78% | 0.776 | S | S | * | * | 62.8 | 116.3 | 86.1 | -71.9 | -169.9 | 169.8 | 0 | 0 | 115.5 | |||||
| 275 | E | 33.9 | Very low | 32.1 | Very low | 164 Ų | 164 | 159.3 Ų | 159.3 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | 144.7 | 100.4 | 131.3 | -77.1 | -172.8 | 169.1 | 0 | 0 | 112.1 | ||||
| 276 | E | 32.8 | Very low | 31.7 | Very low | 169 Ų | 169 | 162.2 Ų | 162.2 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | 86.8 | 103.7 | 103.2 | -72 | -168.7 | 175 | 0 | 0 | 112.4 | |||||
| 277 | E | 33.6 | Very low | 31.7 | Very low | 173 Ų | 173 | 154.5 Ų | 154.5 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | 55.8 | 120.5 | 83.4 | -72.3 | -157.3 | 173.6 | 0 | 0 | 112.3 | |||||
| 278 | E | 37.1 | Very low | 31.9 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | -171.9 | 175.5 | 56.6 | -104.3 | -122 | 154.8 | 0 | 0 | 112.7 | |||||
| 279 | P | 40.8 | Very low | 32.7 | Very low | 102 Ų | 102 | 146.2 Ų | 146.2 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | trans | -114 | 178.6 | -149.9 | 42.5 | -33.4 | 0 | 0 | 0 | 115.7 | ||||
| 280 | M | 29.2 | Very low | 33.2 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 84% | 0.837 | 81% | 0.812 | S | S | * | * | trans | -151.7 | 105.8 | 159.6 | -151.1 | -175.9 | -66.7 | 0 | 0 | 114.3 | ||||
| 281 | E | 34.1 | Very low | 34 | Very low | 186 Ų | 186 | 143.7 Ų | 143.7 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | 62.1 | 130.2 | 136.7 | -57.1 | -170.3 | 166.6 | 0 | 0 | 124.6 | ||||
| 282 | E | 31.3 | Very low | 35 | Very low | 162 Ų | 162 | 149.3 Ų | 149.3 | 76% | 0.757 | 83% | 0.828 | S | S | * | * | trans | -80.6 | 142.5 | 175.4 | -59 | -177.3 | 142.4 | 0 | 0 | 112.7 | ||||
| 283 | E | 32.3 | Very low | 36.1 | Very low | 202 Ų | 202 | 153.5 Ų | 153.5 | 94% | 0.944 | 83% | 0.833 | S | S | * | * | trans | -127.3 | 113.7 | 148.4 | -87.6 | -157.9 | 145 | 0 | 0 | 110.9 | ||||
| 284 | K | 32.4 | Very low | 37.2 | Very low | 171 Ų | 171 | 148.2 Ų | 148.2 | 74% | 0.743 | 82% | 0.817 | S | S | * | * | trans | -78.7 | 136.1 | 167.3 | -91.6 | 167.4 | 176.6 | 131.4 | 0 | 110 | ||||
| 285 | C | 26.9 | Very low | 38.1 | Very low | 133 Ų | 133 | 146.2 Ų | 146.2 | 90% | 0.899 | 81% | 0.811 | S | S | * | * | trans | -134 | 112.5 | 152.4 | -94.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 286 | N | 34.8 | Very low | 39.2 | Very low | 171 Ų | 171 | 145 Ų | 145 | 91% | 0.914 | 81% | 0.805 | S | S | * | * | trans | -68.1 | 138 | 166.3 | -96.8 | -43.1 | 0 | 0 | 0 | 110.4 | ||||
| 287 | G | 30.1 | Very low | 40.2 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | -169.3 | 43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 288 | G | 35 | Very low | 41.3 | Very low | 87 Ų | 87 | 138.8 Ų | 138.8 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | -95.2 | 109.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 289 | G | 41.4 | Very low | 42.4 | Very low | 83 Ų | 83 | 138.6 Ų | 138.6 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | 167.6 | 66 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 290 | A | 39.7 | Very low | 43.6 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -151 | 0.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 291 | A | 46 | Very low | 45.3 | Very low | 100 Ų | 100 | 140 Ų | 140 | 83% | 0.826 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -121.3 | 21.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 292 | K | 46.5 | Very low | 46.8 | Very low | 202 Ų | 202 | 136.7 Ų | 136.7 | 88% | 0.878 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -116.1 | 0.9 | 179.3 | -70.4 | -171.3 | 179.3 | -179 | 0 | 115.7 | ||
| 293 | R | 50.3 | Low | 48.6 | Very low | 232 Ų | 232 | 134.4 Ų | 134.4 | 88% | 0.875 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -96 | 16.6 | -178.8 | -66.3 | -169.6 | -163.7 | 163.2 | 5.6 | 115.5 | ||
| 294 | S | 58.3 | Low | 50.6 | Low | 69 Ų | 69 | 126.6 Ų | 126.6 | 48% | 0.483 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -111.8 | -19.6 | -176.2 | 158.7 | 0 | 0 | 0 | 0 | 115 | Q298 | S294-Q298 WeakPolarHBondContact O-CG 3.43Å; S294-Q298 PolarHBondContact O-N 3.32Å |
| 295 | L | 54.6 | Low | 52.2 | Low | 137 Ų | 137 | 120.7 Ų | 120.7 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -88.3 | -34.8 | -175.6 | -93.2 | 161 | 0 | 0 | 0 | 113.5 | Q298 R299 | L295-Q298 PolarHBondContact O-N 3.03Å; L295-R299 WeakPolarHBondContact O-CB 3.43Å; L295-R299 PolarHBondContact O-N 3.13Å |
| 296 | Q | 56 | Low | 54.2 | Low | 138 Ų | 138 | 119.4 Ų | 119.4 | 65% | 0.645 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -70.2 | -39.5 | 178.6 | -169.2 | 139 | -15.3 | 0 | 0 | 111.6 | Q298 R299 E300 | Q296-Q298 VanDerWaalsContact C-N 3.34Å; Q296-Q298 PolarHBondContact O-N 3.44Å; Q296-R299 WeakPolarHBondContact O-CB 3.14Å; Q296-R299 PolarHBondContact O-N 3.33Å; Q296-E300 WeakPolarHBondContact O-CG 3.21Å; Q296-E300 PolarHBondContact O-N 3.08Å |
| 297 | E | 54.3 | Low | 55.8 | Low | 107 Ų | 107 | 113.6 Ų | 113.6 | 50% | 0.5 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67.8 | -33.2 | 175.6 | -163.3 | 178.3 | 156.1 | 0 | 0 | 112.3 | R301 | E297-R301 WeakPolarHBondContact O-CG 3.13Å; E297-R301 PolarHBondContact O-N 3.38Å; E297-R301 IonicContact OE1-NH1 3.31Å |
| 298 | Q | 55.8 | Low | 57.6 | Low | 105 Ų | 105 | 115.6 Ų | 115.6 | 49% | 0.491 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -69.7 | -36.1 | 171.6 | -77.7 | 178.6 | -5.7 | 0 | 0 | 112.3 | S294 L295 Q296 L302 | S294-Q298 WeakPolarHBondContact O-CG 3.43Å; S294-Q298 PolarHBondContact O-N 3.32Å; L295-Q298 PolarHBondContact O-N 3.03Å; Q296-Q298 VanDerWaalsContact C-N 3.34Å; Q296-Q298 PolarHBondContact O-N 3.44Å; Q298-L302 PolarHBondContact O-N 3.44Å |
| 299 | R | 60.8 | Low | 59.2 | Low | 167 Ų | 167 | 116.1 Ų | 116.1 | 63% | 0.63 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -66.3 | -43.8 | 175.4 | -176.3 | 175 | 177.5 | -173.5 | -0.2 | 111.6 | L295 Q296 R301 L302 H303 | L295-R299 WeakPolarHBondContact O-CB 3.43Å; L295-R299 PolarHBondContact O-N 3.13Å; Q296-R299 WeakPolarHBondContact O-CB 3.14Å; Q296-R299 PolarHBondContact O-N 3.33Å; R299-R301 PolarHBondContact O-N 3.27Å; R299-L302 PolarHBondContact O-N 3.38Å; R299-H303 PolarHBondContact O-CD2 3.38Å; R299-H303 VanDerWaalsContact O-CD2 3.24Å; R299-H303 PolarHBondContact O-N 2.72Å |
| 300 | E | 66.3 | Low | 60.3 | Low | 122 Ų | 122 | 118.4 Ų | 118.4 | 57% | 0.57 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.3 | -37.8 | 178.8 | -72.9 | 169.6 | -167.5 | 0 | 0 | 112.2 | Q296 H303 G304 | Q296-E300 WeakPolarHBondContact O-CG 3.21Å; Q296-E300 PolarHBondContact O-N 3.08Å; E300-H303 PolarHBondContact O-N 2.82Å; E300-G304 PolarHBondContact O-N 3.17Å |
| 301 | R | 63.8 | Low | 61.7 | Low | 179 Ų | 179 | 118.4 Ų | 118.4 | 68% | 0.675 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64 | -38.5 | 173.5 | -77.8 | 174.7 | 143.5 | 146.9 | -2.7 | 113.4 | E297 R299 A305 | E297-R301 WeakPolarHBondContact O-CG 3.13Å; E297-R301 PolarHBondContact O-N 3.38Å; E297-R301 IonicContact OE1-NH1 3.31Å; R299-R301 PolarHBondContact O-N 3.27Å; R301-A305 PolarHBondContact O-N 3.16Å; R301-A305 VanDerWaalsContact O-N 3.13Å |
| 302 | L | 65.9 | Low | 62.6 | Low | 116 Ų | 116 | 116.4 Ų | 116.4 | 61% | 0.607 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -70.6 | -39.5 | 176.9 | -80.6 | 163.4 | 0 | 0 | 0 | 112 | Q298 R299 A305 L306 | Q298-L302 PolarHBondContact O-N 3.44Å; R299-L302 PolarHBondContact O-N 3.38Å; L302-A305 PolarHBondContact O-N 2.76Å; L302-L306 WeakPolarHBondContact O-CG 3.35Å; L302-L306 PolarHBondContact O-N 2.95Å; L302-L306 VanDerWaalsContact O-N 3.17Å |
| 303 | H | 70.6 | Confident | 63.6 | Low | 114 Ų | 114 | 111.9 Ų | 111.9 | 53% | 0.528 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.3 | -39.5 | 174.5 | -83.5 | -77.5 | 0 | 0 | 0 | 112.3 | R299 E300 A305 L306 A307 | R299-H303 PolarHBondContact O-CD2 3.38Å; R299-H303 VanDerWaalsContact O-CD2 3.24Å; R299-H303 PolarHBondContact O-N 2.72Å; E300-H303 PolarHBondContact O-N 2.82Å; H303-A305 PolarHBondContact O-N 3.03Å; H303-L306 PolarHBondContact O-N 2.93Å; H303-A307 PolarHBondContact O-N 2.83Å |
| 304 | G | 73.6 | Confident | 64.3 | Low | 38 Ų | 38 | 106.2 Ų | 106.2 | 39% | 0.392 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.6 | -39.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | E300 A307 L308 | E300-G304 PolarHBondContact O-N 3.17Å; G304-A307 PolarHBondContact O-N 3.43Å; G304-L308 PolarHBondContact O-N 3.17Å |
| 305 | A | 65.4 | Low | 64.5 | Low | 47 Ų | 47 | 110.1 Ų | 110.1 | 39% | 0.388 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.9 | -36 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R301 L302 H303 I309 | R301-A305 PolarHBondContact O-N 3.16Å; R301-A305 VanDerWaalsContact O-N 3.13Å; L302-A305 PolarHBondContact O-N 2.76Å; H303-A305 PolarHBondContact O-N 3.03Å; A305-I309 WeakPolarHBondContact O-CG1 3.16Å; A305-I309 PolarHBondContact O-N 3.05Å |
| 306 | L | 70 | Confident | 64.5 | Low | 107 Ų | 107 | 108.5 Ų | 108.5 | 56% | 0.56 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.5 | -38.4 | 177.1 | -69.9 | 170.8 | 0 | 0 | 0 | 112.3 | L302 H303 L308 I309 E310 | L302-L306 WeakPolarHBondContact O-CG 3.35Å; L302-L306 PolarHBondContact O-N 2.95Å; L302-L306 VanDerWaalsContact O-N 3.17Å; H303-L306 PolarHBondContact O-N 2.93Å; L306-L308 VanDerWaalsContact C-N 3.31Å; L306-L308 PolarHBondContact O-N 3.41Å; L306-I309 PolarHBondContact O-N 3.38Å; L306-E310 PolarHBondContact O-N 3.18Å; L306-E310 VanDerWaalsContact O-N 3.09Å |
| 307 | A | 68.1 | Low | 64.1 | Low | 49 Ų | 49 | 108.7 Ų | 108.7 | 41% | 0.405 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.1 | -34.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H303 G304 E310 L311 | H303-A307 PolarHBondContact O-N 2.83Å; G304-A307 PolarHBondContact O-N 3.43Å; A307-E310 PolarHBondContact O-N 3.47Å; A307-L311 PolarHBondContact O-N 2.82Å |
| 308 | L | 67.3 | Low | 64.6 | Low | 120 Ų | 120 | 108.8 Ų | 108.8 | 63% | 0.628 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70 | -34.8 | 175.5 | -69.2 | 173.8 | 0 | 0 | 0 | 112.6 | G304 L306 E310 A312 | G304-L308 PolarHBondContact O-N 3.17Å; L306-L308 VanDerWaalsContact C-N 3.31Å; L306-L308 PolarHBondContact O-N 3.41Å; L308-E310 VanDerWaalsContact C-N 3.34Å; L308-A312 WeakPolarHBondContact O-CB 3.36Å; L308-A312 PolarHBondContact O-N 2.79Å |
| 309 | I | 69 | Low | 65.1 | Low | 98 Ų | 98 | 108.9 Ų | 108.9 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.4 | -38.6 | 175.3 | -67 | 165.6 | 0 | 0 | 0 | 110.3 | A305 L306 A312 N313 | A305-I309 WeakPolarHBondContact O-CG1 3.16Å; A305-I309 PolarHBondContact O-N 3.05Å; L306-I309 PolarHBondContact O-N 3.38Å; I309-A312 PolarHBondContact O-N 2.69Å; I309-N313 PolarHBondContact O-N 3.39Å; I309-N313 VanDerWaalsContact O-N 3.08Å; I309-N313 PolarHBondContact O-ND2 3.27Å |
| 310 | E | 64.2 | Low | 65.3 | Low | 132 Ų | 132 | 105.7 Ų | 105.7 | 62% | 0.617 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.4 | -36.9 | 178.8 | -160.4 | 159.9 | -162.9 | 0 | 0 | 112.4 | L306 A307 L308 N313 N314 | L306-E310 PolarHBondContact O-N 3.18Å; L306-E310 VanDerWaalsContact O-N 3.09Å; A307-E310 PolarHBondContact O-N 3.47Å; L308-E310 VanDerWaalsContact C-N 3.34Å; E310-N313 PolarHBondContact O-N 3.32Å; E310-N314 PolarHBondContact O-N 3.36Å; E310-N314 PolarHBondContact O-ND2 3.29Å |
| 311 | L | 68.7 | Low | 65.2 | Low | 107 Ų | 107 | 104.8 Ų | 104.8 | 56% | 0.56 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -65 | -40.9 | 170.5 | -78.4 | 165.8 | 0 | 0 | 0 | 112.5 | A307 N313 N314 L315 | A307-L311 PolarHBondContact O-N 2.82Å; L311-N313 VanDerWaalsContact C-N 3.31Å; L311-N313 PolarHBondContact O-N 3.38Å; L311-N314 PolarHBondContact O-N 3.4Å; L311-L315 PolarHBondContact O-N 2.83Å; L311-L315 VanDerWaalsContact O-N 3.13Å |
| 312 | A | 65.4 | Low | 65.3 | Low | 59 Ų | 59 | 100.1 Ų | 100.1 | 49% | 0.488 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.7 | -35.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L308 I309 | L308-A312 WeakPolarHBondContact O-CB 3.36Å; L308-A312 PolarHBondContact O-N 2.79Å; I309-A312 PolarHBondContact O-N 2.69Å |
| 313 | N | 68.1 | Low | 65.3 | Low | 106 Ų | 106 | 99.1 Ų | 99.1 | 57% | 0.567 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.1 | -32.8 | 177 | -70.7 | -26.3 | 0 | 0 | 0 | 112.8 | I309 E310 L311 S316 | I309-N313 PolarHBondContact O-N 3.39Å; I309-N313 VanDerWaalsContact O-N 3.08Å; I309-N313 PolarHBondContact O-ND2 3.27Å; E310-N313 PolarHBondContact O-N 3.32Å; L311-N313 VanDerWaalsContact C-N 3.31Å; L311-N313 PolarHBondContact O-N 3.38Å; N313-S316 PolarHBondContact O-N 3.39Å |
| 314 | N | 64.6 | Low | 64.9 | Low | 113 Ų | 113 | 98 Ų | 98 | 60% | 0.604 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -78.7 | -20.4 | 177.8 | -73.4 | -41.9 | 0 | 0 | 0 | 113.8 | E310 L311 S316 | E310-N314 PolarHBondContact O-N 3.36Å; E310-N314 PolarHBondContact O-ND2 3.29Å; L311-N314 PolarHBondContact O-N 3.4Å; N314-S316 VanDerWaalsContact C-N 3.29Å |
| 315 | L | 62.1 | Low | 64.3 | Low | 152 Ų | 152 | 102.6 Ų | 102.6 | 80% | 0.796 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | -9.4 | 170.9 | -74.5 | 162 | 0 | 0 | 0 | 112.9 | L311 | L311-L315 PolarHBondContact O-N 2.83Å; L311-L315 VanDerWaalsContact O-N 3.13Å |
| 316 | S | 54.1 | Low | 64.2 | Low | 103 Ų | 103 | 107.3 Ų | 107.3 | 72% | 0.72 | 63% | 0.634 | S | S | * | * | trans | -97.8 | 0.5 | -179.5 | 176.2 | 0 | 0 | 0 | 0 | 113.2 | N313 N314 | N313-S316 PolarHBondContact O-N 3.39Å; N314-S316 VanDerWaalsContact C-N 3.29Å | ||
| 317 | A | 48.5 | Very low | 63.6 | Low | 141 Ų | 141 | 107.3 Ų | 107.3 | 100% | 1.165 | 64% | 0.641 | S | S | * | * | trans | -116.7 | 0 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 317 of 317 residues in 458 ms
(Link to these results)