| 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 | T | 46.4 | Very low | 50.4 | Low | 200 Ų | 200 | 155.4 Ų | 155.4 | 100% | 1.227 | 88% | 0.875 | S | S | * | * | 0 | 103.2 | 0 | 38.6 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 2 | A | 42.6 | Very low | 49.6 | Very low | 91 Ų | 91 | 157.6 Ų | 157.6 | 75% | 0.752 | 87% | 0.869 | S | S | * | * | trans | -143.1 | 122.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | D | 47.8 | Very low | 49.7 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 87% | 0.872 | 86% | 0.859 | S | S | * | * | trans | 57.9 | 102.5 | 151.8 | -68 | -78 | 0 | 0 | 0 | 121.2 | ||||
| 4 | M | 51.8 | Low | 49.5 | Very low | 195 Ų | 195 | 153.6 Ų | 153.6 | 96% | 0.961 | 85% | 0.845 | S | S | * | * | trans | -138.9 | 83.2 | 162.8 | -177 | 165.4 | -170.3 | 0 | 0 | 107.9 | ||||
| 5 | A | 53.3 | Low | 49.1 | Very low | 99 Ų | 99 | 155.9 Ų | 155.9 | 82% | 0.818 | 85% | 0.847 | S | S | * | * | trans | 173.7 | 90.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | D | 55.6 | Low | 48.8 | Very low | 159 Ų | 159 | 157.6 Ų | 157.6 | 85% | 0.85 | 85% | 0.848 | S | S | * | * | trans | -143.6 | 72.6 | 162.1 | -170.5 | 31.6 | 0 | 0 | 0 | 109.5 | ||||
| 7 | W | 59.1 | Low | 48.6 | Very low | 250 Ų | 250 | 154.9 Ų | 154.9 | 95% | 0.947 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -158.1 | 33.3 | 167.1 | -148 | 70.8 | 0 | 0 | 0 | 113 | ||
| 8 | D | 52.5 | Low | 48.3 | Very low | 164 Ų | 164 | 154.3 Ų | 154.3 | 88% | 0.877 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -153.4 | 53.8 | 177.1 | -148.6 | 6.2 | 0 | 0 | 0 | 114 | ||
| 9 | A | 46.5 | Very low | 48.1 | Very low | 86 Ų | 86 | 156.1 Ų | 156.1 | 71% | 0.711 | 83% | 0.834 | S | S | * | * | trans | -161.1 | 96.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 10 | D | 47.2 | Very low | 48 | Very low | 172 Ų | 172 | 158.7 Ų | 158.7 | 92% | 0.92 | 84% | 0.837 | S | S | * | * | -160 | 120.9 | 124.2 | -105.6 | -32.9 | 0 | 0 | 0 | 113.1 | |||||
| 11 | N | 51.9 | Low | 47.5 | Very low | 130 Ų | 130 | 155.7 Ų | 155.7 | 70% | 0.695 | 84% | 0.835 | S | S | * | * | trans | -64.9 | 121.7 | 177 | 169.5 | 95 | 0 | 0 | 0 | 112 | ||||
| 12 | F | 40 | Very low | 47.4 | Very low | 182 Ų | 182 | 150.5 Ų | 150.5 | 80% | 0.798 | 81% | 0.812 | S | S | * | * | trans | -136.2 | 87.3 | 162 | -164.3 | -102.8 | 0 | 0 | 0 | 111.5 | P14 | F12-P14 HydrophobicContact CD1-CG 4.45Å; F12-P14 HydrophobicContact CE1-CG 3.83Å; F12-P14 HydrophobicContact CZ-CG 4.31Å | ||
| 13 | E | 51.6 | Low | 47.6 | Very low | 159 Ų | 159 | 152.2 Ų | 152.2 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -87 | 137.7 | 158 | -69.7 | -178.5 | 160.4 | 0 | 0 | 109.4 | ||||
| 14 | P | 47.3 | Very low | 47.5 | Very low | 101 Ų | 101 | 152 Ų | 152 | 66% | 0.656 | 81% | 0.811 | S | S | * | * | trans | -128.3 | 133.2 | 142.1 | 32.8 | -22.3 | 0 | 0 | 0 | 113.3 | F12 | F12-P14 HydrophobicContact CD1-CG 4.45Å; F12-P14 HydrophobicContact CE1-CG 3.83Å; F12-P14 HydrophobicContact CZ-CG 4.31Å | ||
| 15 | E | 43.2 | Very low | 47 | Very low | 188 Ų | 188 | 148.1 Ų | 148.1 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -63 | 148.9 | 178.4 | -59.6 | 175.1 | 143.3 | 0 | 0 | 114.3 | ||||
| 16 | E | 43.8 | Very low | 46.8 | Very low | 183 Ų | 183 | 150.9 Ų | 150.9 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -75.3 | 152.6 | 165 | -55.5 | -171.5 | 162.5 | 0 | 0 | 111.4 | ||||
| 17 | P | 45.9 | Very low | 46.2 | Very low | 111 Ų | 111 | 155.7 Ų | 155.7 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | -157.1 | 141.4 | 80.4 | 32.4 | -7.7 | 0 | 0 | 0 | 119.8 | |||||
| 18 | I | 43.2 | Very low | 45.5 | Very low | 145 Ų | 145 | 152.6 Ų | 152.6 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | trans | 53.2 | 119.5 | 139.5 | -28.9 | 158.5 | 0 | 0 | 0 | 123 | ||||
| 19 | K | 43.7 | Very low | 44.9 | Very low | 187 Ų | 187 | 148.8 Ų | 148.8 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | 148.1 | 109.9 | 116.3 | -75.4 | -175.2 | -170.9 | 172.1 | 0 | 116.3 | |||||
| 20 | K | 46.7 | Very low | 45.1 | Very low | 209 Ų | 209 | 153 Ų | 153 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | 40 | 121.1 | 141.7 | -59.5 | -171.8 | 179.5 | -175.7 | 0 | 122.6 | ||||
| 21 | A | 36.9 | Very low | 45.4 | Very low | 95 Ų | 95 | 151.7 Ų | 151.7 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | 164.8 | 103.1 | 119.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 22 | A | 45.1 | Very low | 44.8 | Very low | 91 Ų | 91 | 154.7 Ų | 154.7 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | 94.5 | 134.7 | 88.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 23 | V | 47.2 | Very low | 45.3 | Very low | 127 Ų | 127 | 153.8 Ų | 153.8 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 87.6 | 90.5 | 164.5 | -165.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 24 | L | 44.2 | Very low | 44.8 | Very low | 158 Ų | 158 | 154.8 Ų | 154.8 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | 71.3 | 115.6 | 87 | -78.1 | 158.8 | 0 | 0 | 0 | 112.9 | |||||
| 25 | D | 43.1 | Very low | 44.9 | Very low | 115 Ų | 115 | 157.1 Ų | 157.1 | 62% | 0.615 | 81% | 0.812 | S | S | * | * | 169.5 | 128.6 | 116.5 | -164.4 | 14.4 | 0 | 0 | 0 | 112.1 | |||||
| 26 | K | 48.1 | Very low | 45 | Very low | 156 Ų | 156 | 154 Ų | 154 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 67.7 | 108.1 | 171.1 | -65.5 | 134.1 | -179.4 | 160.2 | 0 | 116.9 | ||
| 27 | W | 42.9 | Very low | 45.2 | Very low | 260 Ų | 260 | 153.1 Ų | 153.1 | 99% | 0.985 | 80% | 0.799 | S | S | * | * | cis | -136.1 | 111.9 | 45.4 | -76.2 | 70.6 | 0 | 0 | 0 | 111.2 | ||||
| 28 | E | 44.3 | Very low | 45.5 | Very low | 186 Ų | 186 | 155.6 Ų | 155.6 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | trans | -98.7 | 119 | 176.6 | -174 | 174.8 | -149.2 | 0 | 0 | 106.4 | ||||
| 29 | G | 40.9 | Very low | 45.7 | Very low | 83 Ų | 83 | 152.8 Ų | 152.8 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 167.6 | 23.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 30 | E | 50 | Low | 46.4 | Very low | 174 Ų | 174 | 156.4 Ų | 156.4 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -93.8 | 131.8 | 162.7 | -168 | 175.1 | -171.9 | 0 | 0 | 105.1 | ||
| 31 | D | 52.5 | Low | 46.2 | Very low | 145 Ų | 145 | 153.9 Ų | 153.9 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | 70.8 | 75.4 | 173.9 | -53 | -25.2 | 0 | 0 | 0 | 117.8 | ||||
| 32 | E | 41.3 | Very low | 46.6 | Very low | 193 Ų | 193 | 155.7 Ų | 155.7 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -125.8 | 109.6 | 139.5 | -101.4 | -179.4 | 172.2 | 0 | 0 | 108.8 | E34 | E32-E34 VanDerWaalsContact C-N 3.25Å; E32-E34 PolarHBondContact O-N 3.35Å | ||
| 33 | D | 50.5 | Low | 46.4 | Very low | 163 Ų | 163 | 160.5 Ų | 160.5 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -53.2 | 90.4 | 162.1 | -67.7 | -58.3 | 0 | 0 | 0 | 108.9 | D35 | D33-D35 PolarHBondContact O-N 2.97Š| ||
| 34 | E | 40.6 | Very low | 45.8 | Very low | 180 Ų | 180 | 161.9 Ų | 161.9 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | trans | -76.1 | 80.5 | 163.4 | -155.3 | 160.1 | -151.7 | 0 | 0 | 106.4 | E32 V36 | E32-E34 VanDerWaalsContact C-N 3.25Å; E32-E34 PolarHBondContact O-N 3.35Å; E34-V36 VanDerWaalsContact C-N 3.26Å; E34-V36 WeakPolarHBondContact O-CG2 3.45Å; E34-V36 PolarHBondContact O-N 2.92Å | ||
| 35 | D | 49.2 | Very low | 45.3 | Very low | 150 Ų | 150 | 163 Ų | 163 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -47.2 | 95.8 | 164.7 | -166.4 | 14.5 | 0 | 0 | 0 | 106.6 | D33 K37 | D33-D35 PolarHBondContact O-N 2.97Å; D35-K37 VanDerWaalsContact C-N 3.27Å; D35-K37 PolarHBondContact O-N 3.32Å | ||
| 36 | V | 46 | Very low | 44.9 | Very low | 122 Ų | 122 | 166.7 Ų | 166.7 | 74% | 0.739 | 82% | 0.819 | S | S | * | * | trans | -59.4 | 99.9 | -177.3 | 174.8 | 0 | 0 | 0 | 0 | 106.1 | E34 D38 | E34-V36 VanDerWaalsContact C-N 3.26Å; E34-V36 WeakPolarHBondContact O-CG2 3.45Å; E34-V36 PolarHBondContact O-N 2.92Å; V36-D38 VanDerWaalsContact C-N 3.35Å; V36-D38 PolarHBondContact O-N 3.16Å | ||
| 37 | K | 47.2 | Very low | 44.3 | Very low | 165 Ų | 165 | 166.7 Ų | 166.7 | 72% | 0.717 | 82% | 0.822 | S | S | * | * | trans | -56.3 | 94.4 | 177.3 | -176.8 | 158.1 | -173.8 | 157.5 | 0 | 109.1 | D35 N39 | D35-K37 VanDerWaalsContact C-N 3.27Å; D35-K37 PolarHBondContact O-N 3.32Å; K37-N39 HydrophobicContact CD-CB 4.2Å; K37-N39 HydrophobicContact CG-CB 3.45Å; K37-N39 VanDerWaalsContact CG-CB 3.45Å; K37-N39 PolarHBondContact O-N 3.12Å | ||
| 38 | D | 51.8 | Low | 43.7 | Very low | 164 Ų | 164 | 162.2 Ų | 162.2 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | trans | -62.4 | 59.3 | 159.3 | -91.9 | -24.5 | 0 | 0 | 0 | 110 | V36 | V36-D38 VanDerWaalsContact C-N 3.35Å; V36-D38 PolarHBondContact O-N 3.16Å | ||
| 39 | N | 47.9 | Very low | 43.3 | Very low | 85 Ų | 85 | 162.9 Ų | 162.9 | 46% | 0.455 | 81% | 0.809 | S | S | . | * | trans | -127.1 | 40.6 | 176.9 | -130.6 | 100.5 | 0 | 0 | 0 | 109.9 | K37 D41 D42 | K37-N39 HydrophobicContact CD-CB 4.2Å; K37-N39 HydrophobicContact CG-CB 3.45Å; K37-N39 VanDerWaalsContact CG-CB 3.45Å; K37-N39 PolarHBondContact O-N 3.12Å; N39-D41 VanDerWaalsContact C-N 3.29Å; N39-D42 PolarHBondContact ND2-OD2 3.42Å | ||
| 40 | W | 58.1 | Low | 42.9 | Very low | 264 Ų | 264 | 165.1 Ų | 165.1 | 100% | 1 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 33.9 | 171.2 | -137.7 | 57.6 | 0 | 0 | 0 | 111.8 | ||
| 41 | D | 41.7 | Very low | 42.4 | Very low | 156 Ų | 156 | 165.2 Ų | 165.2 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.2 | 29.5 | 169.4 | -158.3 | 30.4 | 0 | 0 | 0 | 111.8 | N39 | N39-D41 VanDerWaalsContact C-N 3.29Š|
| 42 | D | 45.5 | Very low | 41.5 | Very low | 133 Ų | 133 | 163.6 Ų | 163.6 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -116.3 | 73.9 | 167.1 | -90.6 | -29.2 | 0 | 0 | 0 | 108.5 | N39 | N39-D42 PolarHBondContact ND2-OD2 3.42Š| ||
| 43 | E | 41.6 | Very low | 41.2 | Very low | 192 Ų | 192 | 163.4 Ų | 163.4 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -118.8 | 79.5 | 163.4 | -156 | 175.8 | -132 | 0 | 0 | 107.4 | ||||
| 44 | D | 35.1 | Very low | 40.5 | Very low | 156 Ų | 156 | 164.8 Ų | 164.8 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | trans | -164.4 | 133.4 | 149 | -116.6 | -31.1 | 0 | 0 | 0 | 114 | ||||
| 45 | E | 32.5 | Very low | 40.1 | Very low | 180 Ų | 180 | 161.8 Ų | 161.8 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | 74.6 | 90.6 | 160.8 | -76.8 | -178.5 | 150.9 | 0 | 0 | 121.6 | ||||
| 46 | E | 36.1 | Very low | 39.9 | Very low | 194 Ų | 194 | 163 Ų | 163 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -64.3 | 123.7 | 137.5 | -80.5 | -171.3 | 138.3 | 0 | 0 | 110.3 | ||||
| 47 | E | 33.9 | Very low | 39.8 | Very low | 155 Ų | 155 | 163.3 Ų | 163.3 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | -166 | 126.3 | 138.1 | -102.4 | -157.7 | 175.6 | 0 | 0 | 114.3 | ||||
| 48 | K | 31.8 | Very low | 40.1 | Very low | 167 Ų | 167 | 162.7 Ų | 162.7 | 73% | 0.726 | 79% | 0.791 | S | S | * | * | trans | 57.1 | 120.7 | 140.7 | -69.1 | 174 | -171.6 | 136.4 | 0 | 123.4 | ||||
| 49 | K | 35.7 | Very low | 40.2 | Very low | 199 Ų | 199 | 160.8 Ų | 160.8 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | 4 | 142.6 | 138.8 | -68.9 | -179.1 | 171.9 | 178 | 0 | 120.5 | ||||
| 50 | V | 32.3 | Very low | 40.4 | Very low | 131 Ų | 131 | 161.2 Ų | 161.2 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | 134.1 | 109.5 | 129.1 | -173.6 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 51 | E | 38.4 | Very low | 40.2 | Very low | 175 Ų | 175 | 153.9 Ų | 153.9 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 11 | 137.4 | 138.3 | -102 | -179.9 | 171.1 | 0 | 0 | 122.6 | ||||
| 52 | V | 33.7 | Very low | 40.9 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 68% | 0.679 | 76% | 0.759 | S | S | * | * | trans | 102.9 | 118.5 | 139.8 | -177.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 53 | K | 34.7 | Very low | 41.4 | Very low | 189 Ų | 189 | 154.1 Ų | 154.1 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | 60.1 | 118.5 | 147.5 | -76.7 | 169.9 | -179.3 | 171.4 | 0 | 123.1 | ||||
| 54 | K | 36.8 | Very low | 42 | Very low | 191 Ų | 191 | 154.4 Ų | 154.4 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | 37 | 119.1 | 123.3 | -97.7 | -176.1 | 177.7 | -180 | 0 | 119.2 | |||||
| 55 | T | 33 | Very low | 43 | Very low | 118 Ų | 118 | 151.5 Ų | 151.5 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | 162.8 | 114.4 | 112.4 | 37.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 56 | E | 43.1 | Very low | 44.4 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 82% | 0.822 | 72% | 0.718 | S | S | * | * | 94 | 98 | 105.9 | -75.7 | -174.5 | 171.5 | 0 | 0 | 114.5 | |||||
| 57 | T | 44.9 | Very low | 46 | Very low | 127 Ų | 127 | 144 Ų | 144 | 78% | 0.779 | 71% | 0.706 | S | S | * | * | trans | 176.7 | 78.6 | 133.7 | 33.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 58 | K | 54.1 | Low | 47.6 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 66% | 0.661 | 70% | 0.7 | S | S | * | * | trans | -126.2 | 69.1 | -178.4 | -74.3 | -172.1 | 176.4 | -178.1 | 0 | 111.9 | ||||
| 59 | V | 52.7 | Low | 49.5 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -134.4 | -28 | 170.6 | -167.5 | 0 | 0 | 0 | 0 | 114 | ||
| 60 | S | 52 | Low | 51.3 | Low | 95 Ų | 95 | 137.4 Ų | 137.4 | 66% | 0.664 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -86.1 | -27.1 | 175 | 52 | 0 | 0 | 0 | 0 | 113.9 | ||
| 61 | E | 54.6 | Low | 53.3 | Low | 109 Ų | 109 | 136.6 Ų | 136.6 | 51% | 0.509 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -75.3 | -32.3 | 179.8 | -65.8 | -179.5 | 145.6 | 0 | 0 | 112.9 | K63 R64 L65 | E61-K63 VanDerWaalsContact C-N 3.31Å; E61-K63 PolarHBondContact O-N 3.49Å; E61-R64 PolarHBondContact O-N 2.79Å; E61-L65 HydrophobicContact CB-CD1 4.16Å; E61-L65 VanDerWaalsContact O-CB 3.27Å; E61-L65 WeakPolarHBondContact O-CB 3.43Å; E61-L65 WeakPolarHBondContact O-CD1 3.47Å; E61-L65 WeakPolarHBondContact O-CG 3.33Å; E61-L65 PolarHBondContact O-N 3.26Å |
| 62 | K | 55.7 | Low | 55 | Low | 131 Ų | 131 | 135 Ų | 135 | 57% | 0.57 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -63.9 | -32.9 | -178.4 | -72.8 | -178.6 | 177.4 | 171.6 | 0 | 113.1 | T66 | K62-T66 VanDerWaalsContact O-CG2 3.26Å; K62-T66 WeakPolarHBondContact O-CG2 3.34Å; K62-T66 PolarHBondContact O-N 2.87Å; K62-T66 VanDerWaalsContact O-N 3.16Å; K62-T66 PolarHBondContact O-OG1 3.02Å |
| 63 | K | 55.8 | Low | 57.1 | Low | 164 Ų | 164 | 135.5 Ų | 135.5 | 71% | 0.713 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -76 | -40.1 | 175.5 | -67.4 | -172.7 | 179 | -176.3 | 0 | 112.1 | E61 T66 E67 | E61-K63 VanDerWaalsContact C-N 3.31Å; E61-K63 PolarHBondContact O-N 3.49Å; K63-T66 WeakPolarHBondContact CA-OG1 3.26Å; K63-T66 PolarHBondContact O-N 3.04Å; K63-T66 PolarHBondContact O-OG1 3.16Å; K63-E67 WeakPolarHBondContact O-CB 3.31Å; K63-E67 PolarHBondContact O-N 3.31Å; K63-E67 VanDerWaalsContact O-N 3.12Å |
| 64 | R | 56.3 | Low | 59.2 | Low | 198 Ų | 198 | 130.2 Ų | 130.2 | 75% | 0.747 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -66.8 | -37.1 | 174.2 | -76.1 | -175.2 | 172.5 | -174.3 | -2.4 | 112.7 | E61 K68 | E61-R64 PolarHBondContact O-N 2.79Å; R64-K68 VanDerWaalsContact O-CB 3.25Å; R64-K68 WeakPolarHBondContact O-CB 3.43Å; R64-K68 PolarHBondContact O-N 3.36Å |
| 65 | L | 55.7 | Low | 61.1 | Low | 95 Ų | 95 | 126 Ų | 126 | 50% | 0.497 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.3 | -42 | 176.8 | -69.9 | 166.3 | 0 | 0 | 0 | 111.3 | E61 E67 K68 I69 | E61-L65 HydrophobicContact CB-CD1 4.16Å; E61-L65 VanDerWaalsContact O-CB 3.27Å; E61-L65 WeakPolarHBondContact O-CB 3.43Å; E61-L65 WeakPolarHBondContact O-CD1 3.47Å; E61-L65 WeakPolarHBondContact O-CG 3.33Å; E61-L65 PolarHBondContact O-N 3.26Å; L65-E67 VanDerWaalsContact C-N 3.31Å; L65-E67 PolarHBondContact O-N 2.96Å; L65-K68 PolarHBondContact O-N 3.02Å; L65-I69 WeakPolarHBondContact O-CB 3.48Å; L65-I69 WeakPolarHBondContact O-CD1 3.33Å; L65-I69 WeakPolarHBondContact O-CG1 3.31Å; L65-I69 PolarHBondContact O-N 3.4Å |
| 66 | T | 61.4 | Low | 63.2 | Low | 78 Ų | 78 | 125.4 Ų | 125.4 | 48% | 0.479 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -66.5 | -32.5 | 176.2 | 50.8 | 0 | 0 | 0 | 0 | 113.3 | K62 K63 K70 | K62-T66 VanDerWaalsContact O-CG2 3.26Å; K62-T66 WeakPolarHBondContact O-CG2 3.34Å; K62-T66 PolarHBondContact O-N 2.87Å; K62-T66 VanDerWaalsContact O-N 3.16Å; K62-T66 PolarHBondContact O-OG1 3.02Å; K63-T66 WeakPolarHBondContact CA-OG1 3.26Å; K63-T66 PolarHBondContact O-N 3.04Å; K63-T66 PolarHBondContact O-OG1 3.16Å; T66-K70 WeakPolarHBondContact O-CG 3.12Å; T66-K70 PolarHBondContact O-N 3.31Å; T66-K70 VanDerWaalsContact O-N 3.16Å |
| 67 | E | 68.9 | Low | 65.1 | Low | 137 Ų | 137 | 124.2 Ų | 124.2 | 64% | 0.64 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.4 | -40.3 | 176.1 | -159.1 | 166.9 | -168.4 | 0 | 0 | 110.9 | K63 L65 K70 E71 | K63-E67 WeakPolarHBondContact O-CB 3.31Å; K63-E67 PolarHBondContact O-N 3.31Å; K63-E67 VanDerWaalsContact O-N 3.12Å; L65-E67 VanDerWaalsContact C-N 3.31Å; L65-E67 PolarHBondContact O-N 2.96Å; E67-K70 PolarHBondContact O-N 3.5Å; E67-E71 WeakPolarHBondContact O-CB 3.11Å; E67-E71 PolarHBondContact O-N 3.38Å |
| 68 | K | 68.1 | Low | 66.9 | Low | 139 Ų | 139 | 124.9 Ų | 124.9 | 60% | 0.604 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.2 | -30.4 | 175.2 | -154.2 | 167.4 | -170.5 | 178.4 | 0 | 113.5 | R64 L65 K72 | R64-K68 VanDerWaalsContact O-CB 3.25Å; R64-K68 WeakPolarHBondContact O-CB 3.43Å; R64-K68 PolarHBondContact O-N 3.36Å; L65-K68 PolarHBondContact O-N 3.02Å; K68-K72 WeakPolarHBondContact O-CB 3.35Å; K68-K72 PolarHBondContact O-N 2.85Å |
| 69 | I | 71.1 | Confident | 68.1 | Low | 106 Ų | 106 | 124.1 Ų | 124.1 | 54% | 0.544 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -69.1 | -46.1 | 171.7 | -69.8 | 161.3 | 0 | 0 | 0 | 110.1 | L65 E71 K72 E73 | L65-I69 WeakPolarHBondContact O-CB 3.48Å; L65-I69 WeakPolarHBondContact O-CD1 3.33Å; L65-I69 WeakPolarHBondContact O-CG1 3.31Å; L65-I69 PolarHBondContact O-N 3.4Å; I69-E71 VanDerWaalsContact C-N 3.29Å; I69-E71 PolarHBondContact O-N 2.86Å; I69-K72 PolarHBondContact O-N 3.36Å; I69-E73 VanDerWaalsContact O-CB 3.31Å; I69-E73 WeakPolarHBondContact O-CB 3.25Å; I69-E73 PolarHBondContact O-N 3.34Å |
| 70 | K | 74.8 | Confident | 69 | Low | 138 Ų | 138 | 123.9 Ų | 123.9 | 60% | 0.6 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.9 | -33.2 | 176.6 | -73.6 | 177.2 | -179.1 | -175.8 | 0 | 112.8 | T66 E67 N74 | T66-K70 WeakPolarHBondContact O-CG 3.12Å; T66-K70 PolarHBondContact O-N 3.31Å; T66-K70 VanDerWaalsContact O-N 3.16Å; E67-K70 PolarHBondContact O-N 3.5Å; K70-N74 WeakPolarHBondContact O-CB 3.48Å; K70-N74 PolarHBondContact O-N 2.93Å; K70-N74 PolarHBondContact O-ND2 2.85Å |
| 71 | E | 73.1 | Confident | 70.2 | Confident | 115 Ų | 115 | 125.4 Ų | 125.4 | 54% | 0.537 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.7 | -46.8 | 173.9 | -172.1 | 174.9 | -167 | 0 | 0 | 111.8 | E67 I69 E73 N74 Q75 | E67-E71 WeakPolarHBondContact O-CB 3.11Å; E67-E71 PolarHBondContact O-N 3.38Å; I69-E71 VanDerWaalsContact C-N 3.29Å; I69-E71 PolarHBondContact O-N 2.86Å; E71-E73 PolarHBondContact O-N 3.25Å; E71-N74 PolarHBondContact O-N 2.77Å; E71-Q75 WeakPolarHBondContact O-CG 3.43Å; E71-Q75 PolarHBondContact O-N 3.14Å |
| 72 | K | 75.3 | Confident | 71.2 | Confident | 142 Ų | 142 | 126.3 Ų | 126.3 | 62% | 0.617 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.8 | -41.3 | 173.7 | -87.1 | -168 | 172.1 | -170.9 | 0 | 112.5 | K68 I69 Q75 L76 | K68-K72 WeakPolarHBondContact O-CB 3.35Å; K68-K72 PolarHBondContact O-N 2.85Å; I69-K72 PolarHBondContact O-N 3.36Å; K72-Q75 PolarHBondContact O-N 2.88Å; K72-L76 WeakPolarHBondContact O-CB 3.4Å; K72-L76 WeakPolarHBondContact O-CG 3.27Å; K72-L76 PolarHBondContact O-N 2.85Å |
| 73 | E | 77.9 | Confident | 71.9 | Confident | 121 Ų | 121 | 125.2 Ų | 125.2 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64.4 | -42.2 | 177.6 | -172.1 | -175.2 | 170.9 | 0 | 0 | 111.5 | I69 E71 L76 R77 | I69-E73 VanDerWaalsContact O-CB 3.31Å; I69-E73 WeakPolarHBondContact O-CB 3.25Å; I69-E73 PolarHBondContact O-N 3.34Å; E71-E73 PolarHBondContact O-N 3.25Å; E73-L76 PolarHBondContact O-N 2.77Å; E73-R77 WeakPolarHBondContact O-CB 3.39Å; E73-R77 PolarHBondContact O-N 3.39Å |
| 74 | N | 78.1 | Confident | 72.7 | Confident | 79 Ų | 79 | 124.4 Ų | 124.4 | 42% | 0.422 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.2 | -34.5 | 174.5 | -83.8 | -29.5 | 0 | 0 | 0 | 112.8 | K70 E71 K78 | K70-N74 WeakPolarHBondContact O-CB 3.48Å; K70-N74 PolarHBondContact O-N 2.93Å; K70-N74 PolarHBondContact O-ND2 2.85Å; E71-N74 PolarHBondContact O-N 2.77Å; N74-K78 WeakPolarHBondContact O-CB 3.34Å; N74-K78 VanDerWaalsContact O-CG 3.31Å; N74-K78 WeakPolarHBondContact O-CG 3.47Å; N74-K78 PolarHBondContact O-N 2.69Å |
| 75 | Q | 76.1 | Confident | 73.5 | Confident | 103 Ų | 103 | 122.3 Ų | 122.3 | 48% | 0.481 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.7 | -42.5 | 174.1 | -74.5 | 178.4 | 5.3 | 0 | 0 | 111.7 | E71 K72 K78 K79 | E71-Q75 WeakPolarHBondContact O-CG 3.43Å; E71-Q75 PolarHBondContact O-N 3.14Å; K72-Q75 PolarHBondContact O-N 2.88Å; Q75-K78 PolarHBondContact O-N 3.41Å; Q75-K79 WeakPolarHBondContact O-CB 3.19Å; Q75-K79 WeakPolarHBondContact O-CG 3.41Å; Q75-K79 PolarHBondContact O-N 3.29Å |
| 76 | L | 77.5 | Confident | 74.1 | Confident | 104 Ų | 104 | 123.9 Ų | 123.9 | 55% | 0.545 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.2 | -42.1 | 173.9 | -81 | 161.5 | 0 | 0 | 0 | 111.4 | K72 E73 K79 Q80 | K72-L76 WeakPolarHBondContact O-CB 3.4Å; K72-L76 WeakPolarHBondContact O-CG 3.27Å; K72-L76 PolarHBondContact O-N 2.85Å; E73-L76 PolarHBondContact O-N 2.77Å; L76-K79 PolarHBondContact O-N 2.85Å; L76-Q80 WeakPolarHBondContact O-CB 3.03Å; L76-Q80 WeakPolarHBondContact O-CG 3.3Å; L76-Q80 PolarHBondContact O-N 3.48Å |
| 77 | R | 82.8 | Confident | 73.7 | Confident | 152 Ų | 152 | 126.4 Ų | 126.4 | 57% | 0.574 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.6 | -39.4 | 176.8 | -160 | 176.3 | 84.9 | -160.7 | 6.3 | 112 | E73 Q81 | E73-R77 WeakPolarHBondContact O-CB 3.39Å; E73-R77 PolarHBondContact O-N 3.39Å; R77-Q81 WeakPolarHBondContact O-CB 3.34Å; R77-Q81 PolarHBondContact O-N 2.89Å |
| 78 | K | 82.7 | Confident | 73.2 | Confident | 141 Ų | 141 | 126.6 Ų | 126.6 | 61% | 0.613 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.1 | -45.2 | 173 | -79 | -179.5 | 178.8 | -173.8 | 0 | 111.8 | N74 Q75 Q81 E82 | N74-K78 WeakPolarHBondContact O-CB 3.34Å; N74-K78 VanDerWaalsContact O-CG 3.31Å; N74-K78 WeakPolarHBondContact O-CG 3.47Å; N74-K78 PolarHBondContact O-N 2.69Å; Q75-K78 PolarHBondContact O-N 3.41Å; K78-Q81 CarbonylContact O-C 3.55Å; K78-Q81 PolarHBondContact O-N 3.43Å; K78-Q81 VanDerWaalsContact O-N 3.14Å; K78-E82 WeakPolarHBondContact O-CB 3.5Å; K78-E82 PolarHBondContact O-N 3.2Å |
| 79 | K | 79.3 | Confident | 72.4 | Confident | 135 Ų | 135 | 125.9 Ų | 125.9 | 59% | 0.587 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.9 | -42.3 | 175.2 | -77.7 | -175.9 | 175.8 | -173 | 0 | 112.3 | Q75 L76 Q81 E82 L83 | Q75-K79 WeakPolarHBondContact O-CB 3.19Å; Q75-K79 WeakPolarHBondContact O-CG 3.41Å; Q75-K79 PolarHBondContact O-N 3.29Å; L76-K79 PolarHBondContact O-N 2.85Å; K79-Q81 VanDerWaalsContact C-N 3.29Å; K79-Q81 PolarHBondContact O-N 2.81Å; K79-E82 PolarHBondContact O-N 3.4Å; K79-L83 WeakPolarHBondContact O-CB 3.18Å; K79-L83 PolarHBondContact O-N 3.47Å |
| 80 | Q | 71.8 | Confident | 71.2 | Confident | 120 Ų | 120 | 127.9 Ų | 127.9 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.4 | -34.2 | 174.1 | -77.8 | -176.1 | -2.3 | 0 | 0 | 112.1 | L76 K84 | L76-Q80 WeakPolarHBondContact O-CB 3.03Å; L76-Q80 WeakPolarHBondContact O-CG 3.3Å; L76-Q80 PolarHBondContact O-N 3.48Å; Q80-K84 VanDerWaalsContact O-CB 3.3Å; Q80-K84 WeakPolarHBondContact O-CB 3.1Å; Q80-K84 VanDerWaalsContact O-CG 3.29Å; Q80-K84 WeakPolarHBondContact O-CG 3.29Å; Q80-K84 PolarHBondContact O-N 2.91Å |
| 81 | Q | 76.6 | Confident | 70 | Confident | 127 Ų | 127 | 126.5 Ų | 126.5 | 59% | 0.593 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -75.5 | -34.7 | 177.7 | -161.4 | 171.2 | 19.4 | 0 | 0 | 111.7 | R77 K78 K79 R85 | R77-Q81 WeakPolarHBondContact O-CB 3.34Å; R77-Q81 PolarHBondContact O-N 2.89Å; K78-Q81 CarbonylContact O-C 3.55Å; K78-Q81 PolarHBondContact O-N 3.43Å; K78-Q81 VanDerWaalsContact O-N 3.14Å; K79-Q81 VanDerWaalsContact C-N 3.29Å; K79-Q81 PolarHBondContact O-N 2.81Å; Q81-R85 WeakPolarHBondContact O-CB 3.37Å; Q81-R85 PolarHBondContact O-N 2.89Å |
| 82 | E | 77 | Confident | 69 | Low | 128 Ų | 128 | 128.6 Ų | 128.6 | 60% | 0.598 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.1 | -43.1 | 170.1 | -77.9 | 178.1 | 160.8 | 0 | 0 | 111.3 | K78 K79 K84 R85 E86 | K78-E82 WeakPolarHBondContact O-CB 3.5Å; K78-E82 PolarHBondContact O-N 3.2Å; K79-E82 PolarHBondContact O-N 3.4Å; E82-K84 PolarHBondContact O-N 2.8Å; E82-R85 CarbonylContact O-C 3.53Å; E82-R85 PolarHBondContact O-N 2.83Å; E82-E86 WeakPolarHBondContact O-CB 3.38Å; E82-E86 PolarHBondContact O-N 3.35Å |
| 83 | L | 70.4 | Confident | 67.6 | Low | 108 Ų | 108 | 129.8 Ų | 129.8 | 57% | 0.565 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.4 | -43.3 | 172.8 | -109.6 | 154.5 | 0 | 0 | 0 | 111.9 | K79 R85 E86 M87 | K79-L83 WeakPolarHBondContact O-CB 3.18Å; K79-L83 PolarHBondContact O-N 3.47Å; L83-R85 VanDerWaalsContact C-N 3.34Å; L83-E86 PolarHBondContact O-N 2.86Å; L83-M87 VanDerWaalsContact O-CB 3.3Å; L83-M87 WeakPolarHBondContact O-CB 3.12Å; L83-M87 WeakPolarHBondContact O-CG 3.44Å; L83-M87 PolarHBondContact O-N 2.86Å |
| 84 | K | 72.1 | Confident | 65.9 | Low | 147 Ų | 147 | 127.5 Ų | 127.5 | 64% | 0.639 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.5 | -43 | 173.8 | -81.9 | -179.9 | 177 | -173.6 | 0 | 111.3 | Q80 E82 E86 M87 E88 | Q80-K84 VanDerWaalsContact O-CB 3.3Å; Q80-K84 WeakPolarHBondContact O-CB 3.1Å; Q80-K84 VanDerWaalsContact O-CG 3.29Å; Q80-K84 WeakPolarHBondContact O-CG 3.29Å; Q80-K84 PolarHBondContact O-N 2.91Å; E82-K84 PolarHBondContact O-N 2.8Å; K84-E86 VanDerWaalsContact C-N 3.33Å; K84-M87 PolarHBondContact O-N 2.8Å; K84-E88 WeakPolarHBondContact O-CB 3.36Å; K84-E88 PolarHBondContact O-N 2.96Å |
| 85 | R | 73.8 | Confident | 65 | Low | 153 Ų | 153 | 126.8 Ų | 126.8 | 58% | 0.577 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -69 | -30.8 | 177.8 | -172 | 173.6 | 179.2 | 167.8 | 3.1 | 112.3 | Q81 E82 L83 E88 E89 | Q81-R85 WeakPolarHBondContact O-CB 3.37Å; Q81-R85 PolarHBondContact O-N 2.89Å; E82-R85 CarbonylContact O-C 3.53Å; E82-R85 PolarHBondContact O-N 2.83Å; L83-R85 VanDerWaalsContact C-N 3.34Å; R85-E88 CarbonylContact O-C 3.54Å; R85-E88 PolarHBondContact O-N 2.65Å; R85-E89 HydrophobicContact CG-CG 4.06Å; R85-E89 IonicContact CZ-OE1 2.77Å; R85-E89 IonicContact NE-OE1 2.68Å; R85-E89 PolarHBondContact NE-OE1 3.3Å; R85-E89 IonicContact NH2-OE1 3.25Å; R85-E89 PolarHBondContact NH2-OE1 2.83Å; R85-E89 WeakPolarHBondContact O-CA 3.17Å; R85-E89 WeakPolarHBondContact O-CB 3.18Å; R85-E89 WeakPolarHBondContact O-CG 3.3Å; R85-E89 PolarHBondContact O-N 3Å |
| 86 | E | 68 | Low | 64.4 | Low | 128 Ų | 128 | 126.7 Ų | 126.7 | 60% | 0.598 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -81.7 | -25.9 | 176.2 | -169.3 | 171.6 | -159.5 | 0 | 0 | 111.5 | E82 L83 K84 K90 | E82-E86 WeakPolarHBondContact O-CB 3.38Å; E82-E86 PolarHBondContact O-N 3.35Å; L83-E86 PolarHBondContact O-N 2.86Å; K84-E86 VanDerWaalsContact C-N 3.33Å; E86-K90 WeakPolarHBondContact O-CB 3.06Å; E86-K90 WeakPolarHBondContact O-CG 3.44Å; E86-K90 PolarHBondContact O-N 2.75Å |
| 87 | M | 52.7 | Low | 63.6 | Low | 131 Ų | 131 | 129.1 Ų | 129.1 | 65% | 0.645 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -73.8 | -29.5 | 165.9 | -69.2 | -115.5 | -67.4 | 0 | 0 | 112.3 | L83 K84 | L83-M87 VanDerWaalsContact O-CB 3.3Å; L83-M87 WeakPolarHBondContact O-CB 3.12Å; L83-M87 WeakPolarHBondContact O-CG 3.44Å; L83-M87 PolarHBondContact O-N 2.86Å; K84-M87 PolarHBondContact O-N 2.8Å |
| 88 | E | 58.7 | Low | 62.8 | Low | 142 Ų | 142 | 126.4 Ų | 126.4 | 66% | 0.664 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -89.1 | -27.6 | 177.1 | -165.4 | 174.6 | -161.5 | 0 | 0 | 112.2 | K84 R85 | K84-E88 WeakPolarHBondContact O-CB 3.36Å; K84-E88 PolarHBondContact O-N 2.96Å; R85-E88 CarbonylContact O-C 3.54Å; R85-E88 PolarHBondContact O-N 2.65Å |
| 89 | E | 51.4 | Low | 62.2 | Low | 124 Ų | 124 | 124.9 Ų | 124.9 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -91.1 | -9.9 | 172.9 | -74 | 178 | 178.3 | 0 | 0 | 112.3 | R85 P91 | R85-E89 HydrophobicContact CG-CG 4.06Å; R85-E89 IonicContact CZ-OE1 2.77Å; R85-E89 IonicContact NE-OE1 2.68Å; R85-E89 PolarHBondContact NE-OE1 3.3Å; R85-E89 IonicContact NH2-OE1 3.25Å; R85-E89 PolarHBondContact NH2-OE1 2.83Å; R85-E89 WeakPolarHBondContact O-CA 3.17Å; R85-E89 WeakPolarHBondContact O-CB 3.18Å; R85-E89 WeakPolarHBondContact O-CG 3.3Å; R85-E89 PolarHBondContact O-N 3Å; E89-P91 VanDerWaalsContact C-N 3.34Å; E89-P91 WeakPolarHBondContact O-CD 3.23Å; E89-P91 VanDerWaalsContact O-N 3.08Å |
| 90 | K | 44.8 | Very low | 61.8 | Low | 148 Ų | 148 | 123.8 Ų | 123.8 | 64% | 0.643 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -60.8 | 106.1 | 148 | -94.8 | 179.3 | 179.2 | 174.2 | 0 | 104 | E86 E92 | E86-K90 WeakPolarHBondContact O-CB 3.06Å; E86-K90 WeakPolarHBondContact O-CG 3.44Å; E86-K90 PolarHBondContact O-N 2.75Å; K90-E92 PolarHBondContact O-N 2.87Å |
| 91 | P | 49.4 | Very low | 62 | Low | 109 Ų | 109 | 122 Ų | 122 | 71% | 0.708 | 60% | 0.596 | S | S | * | * | trans | -56.2 | 111.8 | -173.3 | 23.5 | -31.8 | 0 | 0 | 0 | 107.9 | E89 E93 | E89-P91 VanDerWaalsContact C-N 3.34Å; E89-P91 WeakPolarHBondContact O-CD 3.23Å; E89-P91 VanDerWaalsContact O-N 3.08Å; P91-E93 PolarHBondContact O-N 3.12Å | ||
| 92 | E | 52.3 | Low | 62.1 | Low | 159 Ų | 159 | 120.3 Ų | 120.3 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -53.5 | 128.9 | 166.6 | -74.1 | -176.6 | 155 | 0 | 0 | 106.8 | K90 | K90-E92 PolarHBondContact O-N 2.87Š|
| 93 | E | 46.8 | Very low | 62.3 | Low | 166 Ų | 166 | 121.5 Ų | 121.5 | 78% | 0.776 | 59% | 0.592 | S | S | * | * | trans | 68.2 | 73.5 | 177.3 | -50.5 | -177 | -177.9 | 0 | 0 | 113.7 | P91 T95 | P91-E93 PolarHBondContact O-N 3.12Å; E93-T95 PolarHBondContact O-N 2.79Å | ||
| 94 | L | 41.6 | Very low | 62.9 | Low | 74 Ų | 74 | 121.8 Ų | 121.8 | 39% | 0.387 | 59% | 0.594 | S | S | . | * | -29.3 | 115 | 128.3 | -125.9 | 103.2 | 0 | 0 | 0 | 107.3 | E98 Q99 E102 | L94-E98 HydrophobicContact CB-CB 4.21Å; L94-E98 HydrophobicContact CD2-CB 3.57Å; L94-E98 VanDerWaalsContact CD2-O 3.3Å; L94-E98 WeakPolarHBondContact CD2-O 3.49Å; L94-E98 HydrophobicContact CG-CB 3.59Å; L94-Q99 HydrophobicContact CB-CG 3.77Å; L94-Q99 HydrophobicContact CD2-CB 4.43Å; L94-Q99 HydrophobicContact CD2-CG 4Å; L94-Q99 WeakPolarHBondContact O-CG 3.42Å; L94-Q99 PolarHBondContact O-NE2 2.84Å; L94-E102 HydrophobicContact CD2-CB 3.94Å | |||
| 95 | T | 60 | Low | 63.5 | Low | 63 Ų | 63 | 123.2 Ų | 123.2 | 39% | 0.387 | 60% | 0.595 | S | S | . | * | trans | -49.5 | 149.5 | 179.4 | 47.7 | 0 | 0 | 0 | 0 | 109.1 | E93 E97 E98 Q99 | E93-T95 PolarHBondContact O-N 2.79Å; T95-E97 CarbonylContact O-C 3.47Å; T95-E97 PolarHBondContact O-N 2.95Å; T95-E98 PolarHBondContact N-OE2 3.06Å; T95-E98 CarbonylContact O-C 3.48Å; T95-E98 WeakPolarHBondContact O-CA 3.39Å; T95-E98 PolarHBondContact O-N 2.91Å; T95-E98 WeakPolarHBondContact OG1-CB 3.32Å; T95-E98 VanDerWaalsContact OG1-CG 3.23Å; T95-E98 WeakPolarHBondContact OG1-CG 3.5Å; T95-E98 PolarHBondContact OG1-N 2.69Å; T95-E98 VanDerWaalsContact OG1-N 3.12Å; T95-E98 PolarHBondContact OG1-OE2 3.11Å; T95-Q99 PolarHBondContact O-N 2.86Å | ||
| 96 | P | 62.7 | Low | 64.2 | Low | 101 Ų | 101 | 119.8 Ų | 119.8 | 66% | 0.656 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -53.6 | -25.2 | 175.8 | 17.4 | -29 | 0 | 0 | 0 | 112 | L100 | P96-L100 VanDerWaalsContact O-CG 3.29Å; P96-L100 WeakPolarHBondContact O-CG 3.3Å; P96-L100 PolarHBondContact O-N 3.44Å |
| 97 | E | 61.7 | Low | 65.1 | Low | 155 Ų | 155 | 119.2 Ų | 119.2 | 72% | 0.724 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.7 | -51.2 | 167.3 | -118.5 | -176 | 159.6 | 0 | 0 | 113.1 | T95 Q99 L100 T101 | T95-E97 CarbonylContact O-C 3.47Å; T95-E97 PolarHBondContact O-N 2.95Å; E97-Q99 VanDerWaalsContact C-N 3.28Å; E97-Q99 PolarHBondContact O-N 2.75Å; E97-L100 PolarHBondContact O-N 2.79Å; E97-T101 WeakPolarHBondContact O-CG2 3.42Å; E97-T101 PolarHBondContact O-N 3.39Å; E97-T101 VanDerWaalsContact O-N 3.11Å |
| 98 | E | 65.3 | Low | 66.8 | Low | 96 Ų | 96 | 119 Ų | 119 | 45% | 0.449 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.8 | -34 | 175.5 | -76 | 165.4 | 134.2 | 0 | 0 | 112.3 | L94 T95 L100 T101 E102 | L94-E98 HydrophobicContact CB-CB 4.21Å; L94-E98 HydrophobicContact CD2-CB 3.57Å; L94-E98 VanDerWaalsContact CD2-O 3.3Å; L94-E98 WeakPolarHBondContact CD2-O 3.49Å; L94-E98 HydrophobicContact CG-CB 3.59Å; T95-E98 PolarHBondContact N-OE2 3.06Å; T95-E98 CarbonylContact O-C 3.48Å; T95-E98 WeakPolarHBondContact O-CA 3.39Å; T95-E98 PolarHBondContact O-N 2.91Å; T95-E98 WeakPolarHBondContact OG1-CB 3.32Å; T95-E98 VanDerWaalsContact OG1-CG 3.23Å; T95-E98 WeakPolarHBondContact OG1-CG 3.5Å; T95-E98 PolarHBondContact OG1-N 2.69Å; T95-E98 VanDerWaalsContact OG1-N 3.12Å; T95-E98 PolarHBondContact OG1-OE2 3.11Å; E98-L100 VanDerWaalsContact C-N 3.28Å; E98-L100 PolarHBondContact O-N 3.32Å; E98-T101 VanDerWaalsContact CA-OG1 3.32Å; E98-T101 WeakPolarHBondContact CA-OG1 3.41Å; E98-T101 CarbonylContact O-C 3.6Å; E98-T101 PolarHBondContact O-N 3.26Å; E98-T101 PolarHBondContact O-OG1 2.84Å; E98-E102 PolarHBondContact O-N 2.85Å |
| 99 | Q | 69.9 | Low | 68.1 | Low | 109 Ų | 109 | 118.1 Ų | 118.1 | 51% | 0.509 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.3 | -35.7 | -179.9 | -68.8 | -174.9 | -7.4 | 0 | 0 | 111.1 | L94 T95 E97 K103 | L94-Q99 HydrophobicContact CB-CG 3.77Å; L94-Q99 HydrophobicContact CD2-CB 4.43Å; L94-Q99 HydrophobicContact CD2-CG 4Å; L94-Q99 WeakPolarHBondContact O-CG 3.42Å; L94-Q99 PolarHBondContact O-NE2 2.84Å; T95-Q99 PolarHBondContact O-N 2.86Å; E97-Q99 VanDerWaalsContact C-N 3.28Å; E97-Q99 PolarHBondContact O-N 2.75Å; Q99-K103 WeakPolarHBondContact O-CB 3.45Å; Q99-K103 PolarHBondContact O-N 3.43Å |
| 100 | L | 71.3 | Confident | 69.8 | Low | 111 Ų | 111 | 117.6 Ų | 117.6 | 58% | 0.581 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -67.8 | -37.6 | 172.4 | -67.9 | 172 | 0 | 0 | 0 | 111.2 | P96 E97 E98 L104 | P96-L100 VanDerWaalsContact O-CG 3.29Å; P96-L100 WeakPolarHBondContact O-CG 3.3Å; P96-L100 PolarHBondContact O-N 3.44Å; E97-L100 PolarHBondContact O-N 2.79Å; E98-L100 VanDerWaalsContact C-N 3.28Å; E98-L100 PolarHBondContact O-N 3.32Å; L100-L104 VanDerWaalsContact O-CB 3.27Å; L100-L104 WeakPolarHBondContact O-CB 3.25Å; L100-L104 VanDerWaalsContact O-CG 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.27Å; L100-L104 PolarHBondContact O-N 2.83Å |
| 101 | T | 75.2 | Confident | 71.7 | Confident | 82 Ų | 82 | 114.9 Ų | 114.9 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.8 | -40.9 | 176.5 | 66.6 | 0 | 0 | 0 | 0 | 112.7 | E97 E98 L104 R105 | E97-T101 WeakPolarHBondContact O-CG2 3.42Å; E97-T101 PolarHBondContact O-N 3.39Å; E97-T101 VanDerWaalsContact O-N 3.11Å; E98-T101 VanDerWaalsContact CA-OG1 3.32Å; E98-T101 WeakPolarHBondContact CA-OG1 3.41Å; E98-T101 CarbonylContact O-C 3.6Å; E98-T101 PolarHBondContact O-N 3.26Å; E98-T101 PolarHBondContact O-OG1 2.84Å; T101-L104 PolarHBondContact O-N 3.35Å; T101-R105 WeakPolarHBondContact O-CB 3.29Å; T101-R105 PolarHBondContact O-N 3.37Å |
| 102 | E | 77.9 | Confident | 73.2 | Confident | 92 Ų | 92 | 113.8 Ų | 113.8 | 43% | 0.43 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -70.1 | -40.4 | 177.7 | -171.3 | 57.6 | -156.7 | 0 | 0 | 110.4 | L94 E98 L104 R105 V106 | L94-E102 HydrophobicContact CD2-CB 3.94Å; E98-E102 PolarHBondContact O-N 2.85Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.12Å; E102-R105 WeakPolarHBondContact O-CB 3.13Å; E102-R105 PolarHBondContact O-N 2.83Å; E102-R105 VanDerWaalsContact O-N 3.12Å; E102-V106 WeakPolarHBondContact O-CG2 3.34Å; E102-V106 PolarHBondContact O-N 2.83Å |
| 103 | K | 81.4 | Confident | 75 | Confident | 153 Ų | 153 | 108.6 Ų | 108.6 | 67% | 0.665 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.4 | -39.2 | 172 | -171.2 | 173.3 | -174.3 | 175.1 | 0 | 112.2 | Q99 R105 K107 | Q99-K103 WeakPolarHBondContact O-CB 3.45Å; Q99-K103 PolarHBondContact O-N 3.43Å; K103-R105 VanDerWaalsContact C-N 3.34Å; K103-K107 WeakPolarHBondContact O-CB 3.3Å; K103-K107 PolarHBondContact O-N 3.47Å |
| 104 | L | 83.3 | Confident | 77 | Confident | 115 Ų | 115 | 104.8 Ų | 104.8 | 60% | 0.602 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.3 | -37.6 | 172.8 | -82.5 | 168.3 | 0 | 0 | 0 | 111.8 | L100 T101 E102 K108 | L100-L104 VanDerWaalsContact O-CB 3.27Å; L100-L104 WeakPolarHBondContact O-CB 3.25Å; L100-L104 VanDerWaalsContact O-CG 3.25Å; L100-L104 WeakPolarHBondContact O-CG 3.27Å; L100-L104 PolarHBondContact O-N 2.83Å; T101-L104 PolarHBondContact O-N 3.35Å; E102-L104 VanDerWaalsContact C-N 3.33Å; E102-L104 PolarHBondContact O-N 3.12Å; L104-K108 VanDerWaalsContact O-CB 3.22Å; L104-K108 WeakPolarHBondContact O-CB 3.41Å; L104-K108 PolarHBondContact O-N 2.91Å |
| 105 | R | 86.3 | Confident | 79.1 | Confident | 177 Ų | 177 | 105.3 Ų | 105.3 | 67% | 0.668 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67 | -47.4 | 177.5 | -170.7 | -175.5 | -177.4 | 128.4 | 2.2 | 111.5 | T101 E102 K103 K108 L109 | T101-R105 WeakPolarHBondContact O-CB 3.29Å; T101-R105 PolarHBondContact O-N 3.37Å; E102-R105 WeakPolarHBondContact O-CB 3.13Å; E102-R105 PolarHBondContact O-N 2.83Å; E102-R105 VanDerWaalsContact O-N 3.12Å; K103-R105 VanDerWaalsContact C-N 3.34Å; R105-K108 PolarHBondContact O-N 3.32Å; R105-L109 WeakPolarHBondContact O-CB 3.41Å; R105-L109 PolarHBondContact O-N 2.89Å |
| 106 | V | 87.7 | Confident | 80 | Confident | 80 Ų | 80 | 108.3 Ų | 108.3 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 175.2 | 173.5 | 0 | 0 | 0 | 0 | 110.3 | E102 K108 L109 Q110 | E102-V106 WeakPolarHBondContact O-CG2 3.34Å; E102-V106 PolarHBondContact O-N 2.83Å; V106-K108 VanDerWaalsContact C-N 3.33Å; V106-K108 PolarHBondContact O-N 2.87Å; V106-L109 PolarHBondContact O-N 2.79Å; V106-Q110 WeakPolarHBondContact O-CB 3.22Å; V106-Q110 PolarHBondContact O-N 3.44Å |
| 107 | K | 87.7 | Confident | 81.1 | Confident | 116 Ų | 116 | 109.2 Ų | 109.2 | 50% | 0.504 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 176.2 | -168.2 | -175.7 | -172.1 | -112.5 | 0 | 111.5 | K103 Q110 E111 | K103-K107 WeakPolarHBondContact O-CB 3.3Å; K103-K107 PolarHBondContact O-N 3.47Å; K107-Q110 PolarHBondContact O-N 3.31Å; K107-E111 VanDerWaalsContact CE-OE1 3.28Å; K107-E111 WeakPolarHBondContact CE-OE1 3.38Å; K107-E111 HydrophobicContact CG-CG 4.44Å; K107-E111 IonicContact NZ-OE1 2.78Å; K107-E111 PolarHBondContact NZ-OE1 3.28Å; K107-E111 WeakPolarHBondContact O-CB 3.34Å; K107-E111 VanDerWaalsContact O-CG 3.26Å; K107-E111 WeakPolarHBondContact O-CG 3.02Å; K107-E111 PolarHBondContact O-N 2.9Å |
| 108 | K | 87.8 | Confident | 82 | Confident | 128 Ų | 128 | 103.6 Ų | 103.6 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.5 | -41.2 | 176.3 | -172.5 | 177.9 | 179.9 | -179.7 | 0 | 111.7 | L104 R105 V106 Q110 E111 D112 | L104-K108 VanDerWaalsContact O-CB 3.22Å; L104-K108 WeakPolarHBondContact O-CB 3.41Å; L104-K108 PolarHBondContact O-N 2.91Å; R105-K108 PolarHBondContact O-N 3.32Å; V106-K108 VanDerWaalsContact C-N 3.33Å; V106-K108 PolarHBondContact O-N 2.87Å; K108-Q110 VanDerWaalsContact C-N 3.31Å; K108-Q110 PolarHBondContact O-N 2.86Å; K108-E111 PolarHBondContact O-N 3.03Å; K108-D112 VanDerWaalsContact O-CB 3.3Å; K108-D112 WeakPolarHBondContact O-CB 3.33Å; K108-D112 PolarHBondContact O-N 3.23Å |
| 109 | L | 85.1 | Confident | 82.5 | Confident | 123 Ų | 123 | 102.8 Ų | 102.8 | 64% | 0.644 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.7 | -37.5 | 176.6 | -171.1 | 140.3 | 0 | 0 | 0 | 111.7 | R105 V106 A113 | R105-L109 WeakPolarHBondContact O-CB 3.41Å; R105-L109 PolarHBondContact O-N 2.89Å; V106-L109 PolarHBondContact O-N 2.79Å; L109-A113 WeakPolarHBondContact O-CB 3.15Å; L109-A113 PolarHBondContact O-N 3.33Å |
| 110 | Q | 87.7 | Confident | 82.8 | Confident | 112 Ų | 112 | 102.1 Ų | 102.1 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.9 | -45.1 | 172.8 | -176.5 | 173.4 | -4.3 | 0 | 0 | 111.9 | V106 K107 K108 D112 A113 D114 | V106-Q110 WeakPolarHBondContact O-CB 3.22Å; V106-Q110 PolarHBondContact O-N 3.44Å; K107-Q110 PolarHBondContact O-N 3.31Å; K108-Q110 VanDerWaalsContact C-N 3.31Å; K108-Q110 PolarHBondContact O-N 2.86Å; Q110-D112 VanDerWaalsContact C-N 3.29Å; Q110-D112 PolarHBondContact O-N 3.41Å; Q110-A113 PolarHBondContact O-N 2.82Å; Q110-D114 WeakPolarHBondContact O-CB 3.48Å; Q110-D114 VanDerWaalsContact O-CG 3.29Å; Q110-D114 PolarHBondContact O-N 3.16Å |
| 111 | E | 83.8 | Confident | 83 | Confident | 91 Ų | 91 | 100.7 Ų | 100.7 | 43% | 0.425 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60 | -39.9 | 174.8 | -75.1 | 171.9 | -174.5 | 0 | 0 | 111.4 | K107 K108 L115 | K107-E111 VanDerWaalsContact CE-OE1 3.28Å; K107-E111 WeakPolarHBondContact CE-OE1 3.38Å; K107-E111 HydrophobicContact CG-CG 4.44Å; K107-E111 IonicContact NZ-OE1 2.78Å; K107-E111 PolarHBondContact NZ-OE1 3.28Å; K107-E111 WeakPolarHBondContact O-CB 3.34Å; K107-E111 VanDerWaalsContact O-CG 3.26Å; K107-E111 WeakPolarHBondContact O-CG 3.02Å; K107-E111 PolarHBondContact O-N 2.9Å; K108-E111 PolarHBondContact O-N 3.03Å; E111-L115 WeakPolarHBondContact O-CB 3.44Å; E111-L115 PolarHBondContact O-N 3.31Å |
| 112 | D | 82.8 | Confident | 82.8 | Confident | 87 Ų | 87 | 104.7 Ų | 104.7 | 47% | 0.465 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 177.5 | -74.5 | -23.8 | 0 | 0 | 0 | 111 | K108 Q110 L115 E116 | K108-D112 VanDerWaalsContact O-CB 3.3Å; K108-D112 WeakPolarHBondContact O-CB 3.33Å; K108-D112 PolarHBondContact O-N 3.23Å; Q110-D112 VanDerWaalsContact C-N 3.29Å; Q110-D112 PolarHBondContact O-N 3.41Å; D112-L115 PolarHBondContact O-N 3.42Å; D112-E116 WeakPolarHBondContact O-CB 3.26Å; D112-E116 PolarHBondContact O-N 2.84Å |
| 113 | A | 88.8 | Confident | 82 | Confident | 49 Ų | 49 | 102 Ų | 102 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | L109 Q110 L115 E116 L117 | L109-A113 WeakPolarHBondContact O-CB 3.15Å; L109-A113 PolarHBondContact O-N 3.33Å; Q110-A113 PolarHBondContact O-N 2.82Å; A113-L115 VanDerWaalsContact C-N 3.29Å; A113-L115 PolarHBondContact O-N 2.68Å; A113-E116 PolarHBondContact O-N 2.87Å; A113-L117 WeakPolarHBondContact O-CB 3.28Å; A113-L117 PolarHBondContact O-N 2.79Å |
| 114 | D | 90.1 | Very high | 81 | Confident | 87 Ų | 87 | 98.6 Ų | 98.6 | 47% | 0.465 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.1 | -34.4 | 175.5 | -74.2 | -12.9 | 0 | 0 | 0 | 111 | Q110 A118 | Q110-D114 WeakPolarHBondContact O-CB 3.48Å; Q110-D114 VanDerWaalsContact O-CG 3.29Å; Q110-D114 PolarHBondContact O-N 3.16Å; D114-A118 WeakPolarHBondContact O-CB 3.48Å; D114-A118 PolarHBondContact O-N 2.8Å |
| 115 | L | 84.6 | Confident | 79.7 | Confident | 85 Ų | 85 | 96.2 Ų | 96.2 | 45% | 0.445 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -72.5 | -36.6 | 176 | -176.3 | 154.5 | 0 | 0 | 0 | 111.6 | E111 D112 A113 K119 | E111-L115 WeakPolarHBondContact O-CB 3.44Å; E111-L115 PolarHBondContact O-N 3.31Å; D112-L115 PolarHBondContact O-N 3.42Å; A113-L115 VanDerWaalsContact C-N 3.29Å; A113-L115 PolarHBondContact O-N 2.68Å; L115-K119 HydrophobicContact CD2-CD 3.76Å; L115-K119 HydrophobicContact CD2-CG 4.36Å; L115-K119 WeakPolarHBondContact O-CB 3.43Å; L115-K119 VanDerWaalsContact O-CG 3.23Å; L115-K119 WeakPolarHBondContact O-CG 3.13Å; L115-K119 PolarHBondContact O-N 3.22Å |
| 116 | E | 79.6 | Confident | 78.2 | Confident | 126 Ų | 126 | 92.5 Ų | 92.5 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.2 | -47.5 | 171 | -171.4 | 170 | -162.4 | 0 | 0 | 111 | D112 A113 A118 K119 D120 | D112-E116 WeakPolarHBondContact O-CB 3.26Å; D112-E116 PolarHBondContact O-N 2.84Å; A113-E116 PolarHBondContact O-N 2.87Å; E116-A118 VanDerWaalsContact C-N 3.29Å; E116-A118 PolarHBondContact O-N 3.35Å; E116-K119 WeakPolarHBondContact O-CB 3.45Å; E116-K119 PolarHBondContact O-N 3Å; E116-K119 VanDerWaalsContact O-N 3.1Å; E116-D120 PolarHBondContact O-N 2.97Å |
| 117 | L | 84.6 | Confident | 76.5 | Confident | 120 Ų | 120 | 94 Ų | 94 | 63% | 0.628 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.3 | -41.7 | 172.9 | -172.3 | 83.2 | 0 | 0 | 0 | 111.5 | A113 D120 A121 | A113-L117 WeakPolarHBondContact O-CB 3.28Å; A113-L117 PolarHBondContact O-N 2.79Å; L117-D120 PolarHBondContact O-N 3.4Å; L117-A121 WeakPolarHBondContact O-CB 3.34Å; L117-A121 PolarHBondContact O-N 3.34Å |
| 118 | A | 80.9 | Confident | 75.1 | Confident | 37 Ų | 37 | 91 Ų | 91 | 31% | 0.306 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68 | -38.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D114 E116 D120 A121 F122 | D114-A118 WeakPolarHBondContact O-CB 3.48Å; D114-A118 PolarHBondContact O-N 2.8Å; E116-A118 VanDerWaalsContact C-N 3.29Å; E116-A118 PolarHBondContact O-N 3.35Å; A118-D120 VanDerWaalsContact C-N 3.28Å; A118-D120 PolarHBondContact O-N 2.94Å; A118-A121 PolarHBondContact O-N 2.84Å; A118-F122 HydrophobicContact CB-CD2 4.1Å; A118-F122 HydrophobicContact CB-CE2 4.47Å; A118-F122 WeakPolarHBondContact O-CA 3.2Å; A118-F122 WeakPolarHBondContact O-CB 3.2Å; A118-F122 VanDerWaalsContact O-CD2 3.24Å; A118-F122 WeakPolarHBondContact O-CD2 3.23Å; A118-F122 PolarHBondContact O-N 3.41Å |
| 119 | K | 76.5 | Confident | 74.3 | Confident | 79 Ų | 79 | 86.6 Ų | 86.6 | 34% | 0.343 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.3 | -39.5 | 173.3 | -77.8 | 166.8 | 175.1 | 166.3 | 0 | 111.3 | L115 E116 G123 V124 N125 | L115-K119 HydrophobicContact CD2-CD 3.76Å; L115-K119 HydrophobicContact CD2-CG 4.36Å; L115-K119 WeakPolarHBondContact O-CB 3.43Å; L115-K119 VanDerWaalsContact O-CG 3.23Å; L115-K119 WeakPolarHBondContact O-CG 3.13Å; L115-K119 PolarHBondContact O-N 3.22Å; E116-K119 WeakPolarHBondContact O-CB 3.45Å; E116-K119 PolarHBondContact O-N 3Å; E116-K119 VanDerWaalsContact O-N 3.1Å; K119-G123 CarbonylContact O-C 3.5Å; K119-G123 WeakPolarHBondContact O-CA 3.41Å; K119-G123 PolarHBondContact O-N 3.43Å; K119-V124 HydrophobicContact CB-CB 4.4Å; K119-V124 HydrophobicContact CG-CB 4.18Å; K119-V124 PolarHBondContact O-N 3.1Å; K119-N125 PolarHBondContact O-N 3.36Å |
| 120 | D | 75.3 | Confident | 74.3 | Confident | 95 Ų | 95 | 83 Ų | 83 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72.6 | -41.2 | 176.2 | -74.8 | -11.2 | 0 | 0 | 0 | 111.9 | E116 L117 A118 G123 N125 | E116-D120 PolarHBondContact O-N 2.97Å; L117-D120 PolarHBondContact O-N 3.4Å; A118-D120 VanDerWaalsContact C-N 3.28Å; A118-D120 PolarHBondContact O-N 2.94Å; D120-G123 PolarHBondContact O-N 3.34Å; D120-N125 PolarHBondContact OD1-ND2 3.45Å |
| 121 | A | 76.5 | Confident | 74.3 | Confident | 80 Ų | 80 | 85.6 Ų | 85.6 | 66% | 0.661 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.5 | -30.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L117 A118 | L117-A121 WeakPolarHBondContact O-CB 3.34Å; L117-A121 PolarHBondContact O-N 3.34Å; A118-A121 PolarHBondContact O-N 2.84Å |
| 122 | F | 70.2 | Confident | 74.4 | Confident | 167 Ų | 167 | 84.7 Ų | 84.7 | 73% | 0.732 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.3 | 4.8 | 178 | -71.4 | -78.8 | 0 | 0 | 0 | 113.3 | A118 V124 | A118-F122 HydrophobicContact CB-CD2 4.1Å; A118-F122 HydrophobicContact CB-CE2 4.47Å; A118-F122 WeakPolarHBondContact O-CA 3.2Å; A118-F122 WeakPolarHBondContact O-CB 3.2Å; A118-F122 VanDerWaalsContact O-CD2 3.24Å; A118-F122 WeakPolarHBondContact O-CD2 3.23Å; A118-F122 PolarHBondContact O-N 3.41Å; F122-V124 HydrophobicContact CB-CG2 4.07Å; F122-V124 PolarHBondContact O-N 2.86Å |
| 123 | G | 61.9 | Low | 74.6 | Confident | 36 Ų | 36 | 83 Ų | 83 | 37% | 0.371 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.1 | 31.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | K119 D120 N125 | K119-G123 CarbonylContact O-C 3.5Å; K119-G123 WeakPolarHBondContact O-CA 3.41Å; K119-G123 PolarHBondContact O-N 3.43Å; D120-G123 PolarHBondContact O-N 3.34Å; G123-N125 VanDerWaalsContact C-N 3.26Å |
| 124 | V | 59.3 | Low | 74.5 | Confident | 80 Ų | 80 | 86.2 Ų | 86.2 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | trans | -95.4 | 22.5 | 173 | -166.8 | 0 | 0 | 0 | 0 | 110 | K119 F122 T126 | K119-V124 HydrophobicContact CB-CB 4.4Å; K119-V124 HydrophobicContact CG-CB 4.18Å; K119-V124 PolarHBondContact O-N 3.1Å; F122-V124 HydrophobicContact CB-CG2 4.07Å; F122-V124 PolarHBondContact O-N 2.86Å; V124-T126 PolarHBondContact O-N 2.77Å | ||
| 125 | N | 56.3 | Low | 74.6 | Confident | 65 Ų | 65 | 83.3 Ų | 83.3 | 35% | 0.348 | 50% | 0.498 | S | S | . | . | trans | -83.9 | 68.1 | 173.2 | -158.7 | 2.9 | 0 | 0 | 0 | 110.9 | K119 D120 G123 V127 | K119-N125 PolarHBondContact O-N 3.36Å; D120-N125 PolarHBondContact OD1-ND2 3.45Å; G123-N125 VanDerWaalsContact C-N 3.26Å; N125-V127 PolarHBondContact O-N 3.48Å; N125-V127 WeakPolarHBondContact OD1-CB 3.37Å; N125-V127 PolarHBondContact OD1-N 2.77Å | ||
| 126 | T | 55 | Low | 75 | Confident | 99 Ų | 99 | 84 Ų | 84 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 4.9 | 168.4 | 48.6 | 0 | 0 | 0 | 0 | 112.8 | V124 L147 | V124-T126 PolarHBondContact O-N 2.77Å; T126-L147 HydrophobicContact CG2-CD2 4.31Å |
| 127 | V | 52.5 | Low | 75.7 | Confident | 113 Ų | 113 | 80 Ų | 80 | 69% | 0.685 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -26.4 | -175 | -171.5 | 0 | 0 | 0 | 0 | 111.8 | N125 G129 | N125-V127 PolarHBondContact O-N 3.48Å; N125-V127 WeakPolarHBondContact OD1-CB 3.37Å; N125-V127 PolarHBondContact OD1-N 2.77Å; V127-G129 PolarHBondContact O-N 3.03Å; V127-G129 VanDerWaalsContact O-N 3.16Å |
| 128 | A | 57.7 | Low | 76.1 | Confident | 51 Ų | 51 | 83 Ų | 83 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -76.5 | 96.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | A132 | A128-A132 HydrophobicContact CB-CB 4.41Š|
| 129 | G | 71.1 | Confident | 76.5 | Confident | 37 Ų | 37 | 88.6 Ų | 88.6 | 38% | 0.381 | 52% | 0.523 | S | S | . | . | trans | -51.9 | 157 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V127 D131 A132 | V127-G129 PolarHBondContact O-N 3.03Å; V127-G129 VanDerWaalsContact O-N 3.16Å; G129-D131 PolarHBondContact O-N 3.27Å; G129-A132 PolarHBondContact O-N 3.16Å | ||
| 130 | I | 85 | Confident | 77.1 | Confident | 46 Ų | 46 | 88.1 Ų | 88.1 | 24% | 0.236 | 52% | 0.522 | C | S | . | . | G | 310 helix | trans | -45.1 | -32.7 | 179.9 | -62.6 | 173.3 | 0 | 0 | 0 | 112 | A132 M133 F144 L147 L148 K151 | I130-A132 VanDerWaalsContact C-N 3.29Å; I130-A132 PolarHBondContact O-N 3.5Å; I130-M133 PolarHBondContact O-N 3.22Å; I130-F144 HydrophobicContact CG2-CE2 3.76Å; I130-F144 HydrophobicContact CG2-CZ 4.46Å; I130-L147 HydrophobicContact CD1-CB 4.13Å; I130-L147 HydrophobicContact CG1-CB 3.96Å; I130-L148 HydrophobicContact CG2-CD2 3.88Å; I130-K151 HydrophobicContact CD1-CB 3.62Å; I130-K151 HydrophobicContact CD1-CG 3.99Å |
| 131 | D | 87.4 | Confident | 78 | Confident | 168 Ų | 168 | 88.8 Ų | 88.8 | 90% | 0.898 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -63.4 | -25.4 | 179.3 | -53.7 | -54.1 | 0 | 0 | 0 | 115 | G129 | G129-D131 PolarHBondContact O-N 3.27Š|
| 132 | A | 87.4 | Confident | 78.8 | Confident | 71 Ų | 71 | 88.8 Ų | 88.8 | 59% | 0.587 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -96.7 | -5.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A128 G129 I130 | A128-A132 HydrophobicContact CB-CB 4.41Å; G129-A132 PolarHBondContact O-N 3.16Å; I130-A132 VanDerWaalsContact C-N 3.29Å; I130-A132 PolarHBondContact O-N 3.5Å |
| 133 | M | 85.8 | Confident | 79.8 | Confident | 52 Ų | 52 | 84 Ų | 84 | 26% | 0.256 | 49% | 0.493 | S | S | . | . | trans | -82.2 | 127.5 | -175 | -146 | 176.1 | -156.3 | 0 | 0 | 110.8 | I130 P135 E143 F144 L147 | I130-M133 PolarHBondContact O-N 3.22Å; M133-P135 WeakPolarHBondContact O-CD 3.49Å; M133-E143 HydrophobicContact CE-CB 4.21Å; M133-E143 HydrophobicContact CE-CG 3.94Å; M133-F144 HydrophobicContact CB-CD2 4.02Å; M133-F144 HydrophobicContact CB-CE2 4.27Å; M133-F144 HydrophobicContact CG-CD2 4.28Å; M133-F144 HydrophobicContact SD-CB 3.94Å; M133-F144 HydrophobicContact SD-CD2 3.71Å; M133-F144 HydrophobicContact SD-CG 4.31Å; M133-L147 HydrophobicContact CE-CD1 4.29Å; M133-L147 HydrophobicContact SD-CD1 3.94Å | ||
| 134 | C | 87.6 | Confident | 81.2 | Confident | 116 Ų | 116 | 84.6 Ų | 84.6 | 78% | 0.784 | 49% | 0.485 | S | S | * | . | trans | -122.4 | 75 | 175.5 | -73.8 | 0 | 0 | 0 | 0 | 109.6 | S136 | C134-S136 PolarHBondContact O-N 3.43Š| ||
| 135 | P | 91.7 | Very high | 82.8 | Confident | 27 Ų | 27 | 86.9 Ų | 86.9 | 18% | 0.175 | 49% | 0.49 | C | S | . | . | trans | -64.3 | 135.4 | -175.2 | 27.8 | -35.4 | 0 | 0 | 0 | 111.5 | M133 E140 F141 F144 | M133-P135 WeakPolarHBondContact O-CD 3.49Å; P135-E140 HydrophobicContact CB-CB 3.78Å; P135-F141 HydrophobicContact CB-CD1 4.15Å; P135-F141 HydrophobicContact CB-CD2 3.98Å; P135-F141 HydrophobicContact CB-CE1 4.22Å; P135-F141 HydrophobicContact CB-CE2 4.04Å; P135-F141 HydrophobicContact CB-CG 4.03Å; P135-F141 HydrophobicContact CB-CZ 4.16Å; P135-F141 HydrophobicContact CG-CD1 4Å; P135-F141 HydrophobicContact CG-CE1 3.76Å; P135-F141 HydrophobicContact CG-CE2 4.31Å; P135-F141 HydrophobicContact CG-CG 4.39Å; P135-F141 HydrophobicContact CG-CZ 3.92Å; P135-F141 WeakPolarHBondContact O-CE2 3.42Å; P135-F141 WeakPolarHBondContact O-CZ 3.21Å; P135-F144 HydrophobicContact CB-CB 4.37Å; P135-F144 HydrophobicContact CG-CB 4.14Å; P135-F144 HydrophobicContact CG-CD1 4Å; P135-F144 HydrophobicContact CG-CG 4Å | ||
| 136 | S | 92 | Very high | 84.6 | Confident | 99 Ų | 99 | 90.7 Ų | 90.7 | 69% | 0.692 | 50% | 0.504 | S | S | * | . | trans | -127.5 | -34.4 | -178 | 69.3 | 0 | 0 | 0 | 0 | 112.4 | C134 E140 | C134-S136 PolarHBondContact O-N 3.43Å; S136-E140 PolarHBondContact N-OE2 3.49Å; S136-E140 PolarHBondContact OG-OE2 2.92Å | ||
| 137 | S | 94.9 | Very high | 86.3 | Confident | 42 Ų | 42 | 87.4 Ų | 87.4 | 29% | 0.294 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -94.4 | 157 | 176 | 75.5 | 0 | 0 | 0 | 0 | 111.8 | E139 E140 F141 | S137-E139 PolarHBondContact O-N 2.94Å; S137-E140 WeakPolarHBondContact CB-OE1 3.41Å; S137-E140 PolarHBondContact N-OE2 3.45Å; S137-E140 PolarHBondContact O-N 2.86Å; S137-E140 VanDerWaalsContact OG-CG 3.22Å; S137-E140 WeakPolarHBondContact OG-CG 3.4Å; S137-E140 PolarHBondContact OG-N 3.44Å; S137-E140 PolarHBondContact OG-OE1 3.37Å; S137-F141 VanDerWaalsContact O-CD2 3.3Å; S137-F141 WeakPolarHBondContact O-CD2 3.42Å; S137-F141 PolarHBondContact O-N 3.35Å |
| 138 | K | 93.3 | Very high | 88.2 | Confident | 182 Ų | 182 | 84.9 Ų | 84.9 | 79% | 0.791 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -57.9 | -36.5 | 177.6 | -175.8 | 177.2 | 178.6 | -177 | 0 | 111.9 | F141 T142 | K138-F141 PolarHBondContact O-N 3.42Å; K138-T142 WeakPolarHBondContact O-CG2 3.35Å; K138-T142 PolarHBondContact O-N 2.75Å; K138-T142 VanDerWaalsContact O-N 3.13Å |
| 139 | E | 90.1 | Very high | 89.9 | Confident | 156 Ų | 156 | 89.2 Ų | 89.2 | 73% | 0.729 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.9 | -43.5 | 179.4 | -64.2 | 179.3 | -178.7 | 0 | 0 | 110.8 | S137 F141 T142 E143 | S137-E139 PolarHBondContact O-N 2.94Å; E139-F141 VanDerWaalsContact C-N 3.29Å; E139-F141 PolarHBondContact O-N 3.29Å; E139-T142 PolarHBondContact O-N 3.02Å; E139-T142 PolarHBondContact O-OG1 2.77Å; E139-E143 PolarHBondContact O-N 3.37Å; E139-E143 VanDerWaalsContact O-N 3.09Å |
| 140 | E | 88.8 | Confident | 91 | Very high | 68 Ų | 68 | 92.9 Ų | 92.9 | 32% | 0.318 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.8 | -39.2 | 172.7 | -72.2 | 154.1 | -133.2 | 0 | 0 | 112 | P135 S136 S137 T142 E143 F144 | P135-E140 HydrophobicContact CB-CB 3.78Å; S136-E140 PolarHBondContact N-OE2 3.49Å; S136-E140 PolarHBondContact OG-OE2 2.92Å; S137-E140 WeakPolarHBondContact CB-OE1 3.41Å; S137-E140 PolarHBondContact N-OE2 3.45Å; S137-E140 PolarHBondContact O-N 2.86Å; S137-E140 VanDerWaalsContact OG-CG 3.22Å; S137-E140 WeakPolarHBondContact OG-CG 3.4Å; S137-E140 PolarHBondContact OG-N 3.44Å; S137-E140 PolarHBondContact OG-OE1 3.37Å; E140-T142 VanDerWaalsContact C-N 3.31Å; E140-T142 PolarHBondContact O-N 3.48Å; E140-E143 PolarHBondContact O-N 3.31Å; E140-F144 WeakPolarHBondContact O-CB 3.45Å; E140-F144 PolarHBondContact O-N 2.73Å |
| 141 | F | 93.9 | Very high | 91.3 | Very high | 109 Ų | 109 | 95.6 Ų | 95.6 | 48% | 0.478 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -34.1 | 174 | -87.9 | -77.1 | 0 | 0 | 0 | 112.8 | P135 S137 K138 E139 E145 | P135-F141 HydrophobicContact CB-CD1 4.15Å; P135-F141 HydrophobicContact CB-CD2 3.98Å; P135-F141 HydrophobicContact CB-CE1 4.22Å; P135-F141 HydrophobicContact CB-CE2 4.04Å; P135-F141 HydrophobicContact CB-CG 4.03Å; P135-F141 HydrophobicContact CB-CZ 4.16Å; P135-F141 HydrophobicContact CG-CD1 4Å; P135-F141 HydrophobicContact CG-CE1 3.76Å; P135-F141 HydrophobicContact CG-CE2 4.31Å; P135-F141 HydrophobicContact CG-CG 4.39Å; P135-F141 HydrophobicContact CG-CZ 3.92Å; P135-F141 WeakPolarHBondContact O-CE2 3.42Å; P135-F141 WeakPolarHBondContact O-CZ 3.21Å; S137-F141 VanDerWaalsContact O-CD2 3.3Å; S137-F141 WeakPolarHBondContact O-CD2 3.42Å; S137-F141 PolarHBondContact O-N 3.35Å; K138-F141 PolarHBondContact O-N 3.42Å; E139-F141 VanDerWaalsContact C-N 3.29Å; E139-F141 PolarHBondContact O-N 3.29Å; F141-E145 WeakPolarHBondContact O-CB 3.2Å; F141-E145 PolarHBondContact O-N 2.73Å |
| 142 | T | 93.8 | Very high | 91.7 | Very high | 80 Ų | 80 | 89.4 Ų | 89.4 | 49% | 0.491 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.7 | -35.1 | 175.3 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | K138 E139 E140 K146 | K138-T142 WeakPolarHBondContact O-CG2 3.35Å; K138-T142 PolarHBondContact O-N 2.75Å; K138-T142 VanDerWaalsContact O-N 3.13Å; E139-T142 PolarHBondContact O-N 3.02Å; E139-T142 PolarHBondContact O-OG1 2.77Å; E140-T142 VanDerWaalsContact C-N 3.31Å; E140-T142 PolarHBondContact O-N 3.48Å; T142-K146 PolarHBondContact O-N 3.32Å; T142-K146 VanDerWaalsContact O-N 3.13Å |
| 143 | E | 90.4 | Very high | 92.1 | Very high | 68 Ų | 68 | 88.6 Ų | 88.6 | 32% | 0.318 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.3 | -44.3 | 174.4 | -168.7 | 174.4 | -173 | 0 | 0 | 111.3 | M133 E139 E140 E145 K146 L147 | M133-E143 HydrophobicContact CE-CB 4.21Å; M133-E143 HydrophobicContact CE-CG 3.94Å; E139-E143 PolarHBondContact O-N 3.37Å; E139-E143 VanDerWaalsContact O-N 3.09Å; E140-E143 PolarHBondContact O-N 3.31Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-E145 PolarHBondContact O-N 3.15Å; E143-K146 WeakPolarHBondContact O-CB 3.48Å; E143-K146 PolarHBondContact O-N 3.03Å; E143-K146 VanDerWaalsContact O-N 3.1Å; E143-L147 PolarHBondContact O-N 2.93Å |
| 144 | F | 92.4 | Very high | 92.6 | Very high | 47 Ų | 47 | 91.5 Ų | 91.5 | 21% | 0.206 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 174.7 | -174.2 | -117 | 0 | 0 | 0 | 111.9 | I130 M133 P135 E140 K146 L147 L148 | I130-F144 HydrophobicContact CG2-CE2 3.76Å; I130-F144 HydrophobicContact CG2-CZ 4.46Å; M133-F144 HydrophobicContact CB-CD2 4.02Å; M133-F144 HydrophobicContact CB-CE2 4.27Å; M133-F144 HydrophobicContact CG-CD2 4.28Å; M133-F144 HydrophobicContact SD-CB 3.94Å; M133-F144 HydrophobicContact SD-CD2 3.71Å; M133-F144 HydrophobicContact SD-CG 4.31Å; P135-F144 HydrophobicContact CB-CB 4.37Å; P135-F144 HydrophobicContact CG-CB 4.14Å; P135-F144 HydrophobicContact CG-CD1 4Å; P135-F144 HydrophobicContact CG-CG 4Å; E140-F144 WeakPolarHBondContact O-CB 3.45Å; E140-F144 PolarHBondContact O-N 2.73Å; F144-K146 VanDerWaalsContact C-N 3.32Å; F144-K146 PolarHBondContact O-N 3.18Å; F144-L147 PolarHBondContact O-N 2.88Å; F144-L148 HydrophobicContact CD1-CD1 3.73Å; F144-L148 HydrophobicContact CD1-CG 4.41Å; F144-L148 HydrophobicContact CE1-CD1 3.37Å; F144-L148 HydrophobicContact CE1-CG 4.15Å; F144-L148 HydrophobicContact CE2-CD1 4.39Å; F144-L148 HydrophobicContact CE2-CG 4.31Å; F144-L148 HydrophobicContact CG-CD1 4.39Å; F144-L148 HydrophobicContact CZ-CD1 3.74Å; F144-L148 HydrophobicContact CZ-CD2 4.32Å; F144-L148 HydrophobicContact CZ-CG 4.09Å; F144-L148 WeakPolarHBondContact O-CB 3.24Å; F144-L148 WeakPolarHBondContact O-CG 3.47Å; F144-L148 PolarHBondContact O-N 3.32Å |
| 145 | E | 92.8 | Very high | 93 | Very high | 129 Ų | 129 | 91.4 Ų | 91.4 | 60% | 0.603 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -57.4 | -44.7 | 173.4 | -175.9 | -169.3 | 153.1 | 0 | 0 | 111.4 | F141 E143 L148 K149 | F141-E145 WeakPolarHBondContact O-CB 3.2Å; F141-E145 PolarHBondContact O-N 2.73Å; E143-E145 VanDerWaalsContact C-N 3.34Å; E143-E145 PolarHBondContact O-N 3.15Å; E145-L148 PolarHBondContact O-N 2.91Å; E145-K149 VanDerWaalsContact O-CB 3.28Å; E145-K149 WeakPolarHBondContact O-CB 3.34Å; E145-K149 PolarHBondContact O-N 3.06Å |
| 146 | K | 92.4 | Very high | 93.1 | Very high | 145 Ų | 145 | 95.7 Ų | 95.7 | 63% | 0.63 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.2 | -46.3 | 179.9 | -175.2 | -174.6 | 173.7 | -167.5 | 0 | 111.4 | T142 E143 F144 K149 E150 | T142-K146 PolarHBondContact O-N 3.32Å; T142-K146 VanDerWaalsContact O-N 3.13Å; E143-K146 WeakPolarHBondContact O-CB 3.48Å; E143-K146 PolarHBondContact O-N 3.03Å; E143-K146 VanDerWaalsContact O-N 3.1Å; F144-K146 VanDerWaalsContact C-N 3.32Å; F144-K146 PolarHBondContact O-N 3.18Å; K146-K149 PolarHBondContact O-N 3.09Å; K146-E150 PolarHBondContact O-N 3.38Å |
| 147 | L | 91.2 | Very high | 93.3 | Very high | 29 Ų | 29 | 100 Ų | 100 | 15% | 0.152 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 178.5 | -66.5 | 176.1 | 0 | 0 | 0 | 112 | T126 I130 M133 E143 F144 K149 E150 K151 | T126-L147 HydrophobicContact CG2-CD2 4.31Å; I130-L147 HydrophobicContact CD1-CB 4.13Å; I130-L147 HydrophobicContact CG1-CB 3.96Å; M133-L147 HydrophobicContact CE-CD1 4.29Å; M133-L147 HydrophobicContact SD-CD1 3.94Å; E143-L147 PolarHBondContact O-N 2.93Å; F144-L147 PolarHBondContact O-N 2.88Å; L147-K149 PolarHBondContact O-N 3.47Å; L147-E150 PolarHBondContact O-N 3.22Å; L147-K151 WeakPolarHBondContact O-CB 3.22Å; L147-K151 PolarHBondContact O-N 2.9Å |
| 148 | L | 92.8 | Very high | 93.4 | Very high | 61 Ų | 61 | 100.6 Ų | 100.6 | 32% | 0.319 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.8 | -46.3 | 174.7 | -79.1 | 177.3 | 0 | 0 | 0 | 111.6 | I130 F144 E145 E150 K151 I152 | I130-L148 HydrophobicContact CG2-CD2 3.88Å; F144-L148 HydrophobicContact CD1-CD1 3.73Å; F144-L148 HydrophobicContact CD1-CG 4.41Å; F144-L148 HydrophobicContact CE1-CD1 3.37Å; F144-L148 HydrophobicContact CE1-CG 4.15Å; F144-L148 HydrophobicContact CE2-CD1 4.39Å; F144-L148 HydrophobicContact CE2-CG 4.31Å; F144-L148 HydrophobicContact CG-CD1 4.39Å; F144-L148 HydrophobicContact CZ-CD1 3.74Å; F144-L148 HydrophobicContact CZ-CD2 4.32Å; F144-L148 HydrophobicContact CZ-CG 4.09Å; F144-L148 WeakPolarHBondContact O-CB 3.24Å; F144-L148 WeakPolarHBondContact O-CG 3.47Å; F144-L148 PolarHBondContact O-N 3.32Å; E145-L148 PolarHBondContact O-N 2.91Å; L148-E150 PolarHBondContact O-N 3.16Å; L148-K151 PolarHBondContact O-N 3.38Å; L148-I152 HydrophobicContact CB-CD1 4.45Å; L148-I152 VanDerWaalsContact O-CB 3.31Å; L148-I152 WeakPolarHBondContact O-CB 3.35Å; L148-I152 WeakPolarHBondContact O-CD1 3.36Å; L148-I152 WeakPolarHBondContact O-CG1 3.19Å; L148-I152 PolarHBondContact O-N 3.18Å |
| 149 | K | 93.6 | Very high | 93.6 | Very high | 141 Ų | 141 | 98.2 Ų | 98.2 | 61% | 0.613 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -59.4 | -48.9 | 177.4 | 178.9 | -175.8 | 175.7 | -177.3 | 0 | 111.2 | E145 K146 L147 K151 I152 T153 | E145-K149 VanDerWaalsContact O-CB 3.28Å; E145-K149 WeakPolarHBondContact O-CB 3.34Å; E145-K149 PolarHBondContact O-N 3.06Å; K146-K149 PolarHBondContact O-N 3.09Å; L147-K149 PolarHBondContact O-N 3.47Å; K149-K151 VanDerWaalsContact C-N 3.31Å; K149-K151 PolarHBondContact O-N 2.96Å; K149-I152 PolarHBondContact O-N 2.73Å; K149-T153 HydrophobicContact CG-CG2 4.17Å; K149-T153 WeakPolarHBondContact O-CB 3.36Å; K149-T153 WeakPolarHBondContact O-CG2 3.42Å; K149-T153 PolarHBondContact O-N 3.42Å; K149-T153 PolarHBondContact O-OG1 3.32Å |
| 150 | E | 93.3 | Very high | 93.9 | Very high | 115 Ų | 115 | 97.2 Ų | 97.2 | 54% | 0.537 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.8 | -45.8 | 178.5 | -174.8 | 173.3 | 172.1 | 0 | 0 | 111 | K146 L147 L148 T153 Q154 | K146-E150 PolarHBondContact O-N 3.38Å; L147-E150 PolarHBondContact O-N 3.22Å; L148-E150 PolarHBondContact O-N 3.16Å; E150-T153 PolarHBondContact O-OG1 3.42Å; E150-Q154 WeakPolarHBondContact O-CG 3.27Å; E150-Q154 PolarHBondContact O-N 3.23Å |
| 151 | K | 93.1 | Very high | 94.4 | Very high | 102 Ų | 102 | 96 Ų | 96 | 44% | 0.443 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.6 | -44.2 | 179.7 | -172.7 | 59.9 | 174.6 | 179 | 0 | 113.2 | I130 L147 L148 K149 Q154 F155 | I130-K151 HydrophobicContact CD1-CB 3.62Å; I130-K151 HydrophobicContact CD1-CG 3.99Å; L147-K151 WeakPolarHBondContact O-CB 3.22Å; L147-K151 PolarHBondContact O-N 2.9Å; L148-K151 PolarHBondContact O-N 3.38Å; K149-K151 VanDerWaalsContact C-N 3.31Å; K149-K151 PolarHBondContact O-N 2.96Å; K151-Q154 WeakPolarHBondContact O-CB 3.4Å; K151-F155 WeakPolarHBondContact O-CE2 3.35Å |
| 152 | I | 94.9 | Very high | 94.4 | Very high | 39 Ų | 39 | 95.5 Ų | 95.5 | 20% | 0.2 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -69.1 | -44.8 | -177.2 | -70.6 | 166.9 | 0 | 0 | 0 | 110.6 | L148 K149 Q154 F155 Y161 F164 L165 L168 | L148-I152 HydrophobicContact CB-CD1 4.45Å; L148-I152 VanDerWaalsContact O-CB 3.31Å; L148-I152 WeakPolarHBondContact O-CB 3.35Å; L148-I152 WeakPolarHBondContact O-CD1 3.36Å; L148-I152 WeakPolarHBondContact O-CG1 3.19Å; L148-I152 PolarHBondContact O-N 3.18Å; K149-I152 PolarHBondContact O-N 2.73Å; I152-Q154 PolarHBondContact O-N 2.96Å; I152-F155 PolarHBondContact O-N 3.15Å; I152-F155 VanDerWaalsContact O-N 3.16Å; I152-Y161 HydrophobicContact CG2-CE2 3.82Å; I152-Y161 WeakPolarHBondContact O-CE2 3.46Å; I152-F164 HydrophobicContact CG2-CE1 4.06Å; I152-L165 HydrophobicContact CG2-CD2 3.85Å; I152-L168 HydrophobicContact CD1-CD2 4.15Å |
| 153 | T | 95.6 | Very high | 94.6 | Very high | 53 Ų | 53 | 95.8 Ų | 95.8 | 33% | 0.325 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66 | -18.4 | -177 | 54.3 | 0 | 0 | 0 | 0 | 114.1 | K149 E150 F155 E156 | K149-T153 HydrophobicContact CG-CG2 4.17Å; K149-T153 WeakPolarHBondContact O-CB 3.36Å; K149-T153 WeakPolarHBondContact O-CG2 3.42Å; K149-T153 PolarHBondContact O-N 3.42Å; K149-T153 PolarHBondContact O-OG1 3.32Å; E150-T153 PolarHBondContact O-OG1 3.42Å; T153-F155 PolarHBondContact O-N 2.93Å; T153-E156 WeakPolarHBondContact O-CB 3.2Å; T153-E156 WeakPolarHBondContact O-CG 3.33Å; T153-E156 PolarHBondContact O-N 2.92Å; T153-E156 VanDerWaalsContact O-N 3.09Å |
| 154 | Q | 95.8 | Very high | 94.9 | Very high | 113 Ų | 113 | 97 Ų | 97 | 53% | 0.528 | 48% | 0.481 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -25.6 | 171.6 | -72 | 168.5 | 17.4 | 0 | 0 | 113 | E150 K151 I152 | E150-Q154 WeakPolarHBondContact O-CG 3.27Å; E150-Q154 PolarHBondContact O-N 3.23Å; K151-Q154 WeakPolarHBondContact O-CB 3.4Å; I152-Q154 PolarHBondContact O-N 2.96Å |
| 155 | F | 95.5 | Very high | 95.1 | Very high | 114 Ų | 114 | 96.5 Ų | 96.5 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 12.7 | -176.2 | -52.2 | -73.1 | 0 | 0 | 0 | 113.7 | K151 I152 T153 K157 S158 Y161 | K151-F155 WeakPolarHBondContact O-CE2 3.35Å; I152-F155 PolarHBondContact O-N 3.15Å; I152-F155 VanDerWaalsContact O-N 3.16Å; T153-F155 PolarHBondContact O-N 2.93Å; F155-K157 PolarHBondContact O-N 3.27Å; F155-S158 WeakPolarHBondContact O-CB 3.35Å; F155-S158 PolarHBondContact O-N 3.42Å; F155-Y161 HydrophobicContact CB-CD2 4.24Å; F155-Y161 WeakPolarHBondContact O-CD2 3.45Å |
| 156 | E | 95.6 | Very high | 95.2 | Very high | 118 Ų | 118 | 96 Ų | 96 | 55% | 0.551 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -25.9 | -174.3 | 69.5 | 176.2 | -173.7 | 0 | 0 | 114.5 | T153 S158 Y161 | T153-E156 WeakPolarHBondContact O-CB 3.2Å; T153-E156 WeakPolarHBondContact O-CG 3.33Å; T153-E156 PolarHBondContact O-N 2.92Å; T153-E156 VanDerWaalsContact O-N 3.09Å; E156-S158 VanDerWaalsContact C-N 3.34Å; E156-Y161 HydrophobicContact CB-CD1 4.38Å; E156-Y161 HydrophobicContact CB-CE1 4.08Å |
| 157 | K | 96.2 | Very high | 95.5 | Very high | 190 Ų | 190 | 91.6 Ų | 91.6 | 83% | 0.826 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -8.5 | 179.7 | -60.7 | -180 | -175.5 | 169.9 | 0 | 113.2 | F155 | F155-K157 PolarHBondContact O-N 3.27Š|
| 158 | S | 97.1 | Very high | 95.7 | Very high | 53 Ų | 53 | 92.3 Ų | 92.3 | 37% | 0.371 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -69.2 | 137.1 | 178.1 | -179 | 0 | 0 | 0 | 0 | 110.2 | F155 E156 H160 Y161 | F155-S158 WeakPolarHBondContact O-CB 3.35Å; F155-S158 PolarHBondContact O-N 3.42Å; E156-S158 VanDerWaalsContact C-N 3.34Å; S158-H160 PolarHBondContact O-N 3.5Å; S158-H160 VanDerWaalsContact O-N 3.15Å; S158-H160 PolarHBondContact OG-N 2.98Å; S158-Y161 WeakPolarHBondContact O-CB 3.48Å; S158-Y161 PolarHBondContact O-N 2.96Å |
| 159 | V | 97.2 | Very high | 95.8 | Very high | 132 Ų | 132 | 94.4 Ų | 94.4 | 80% | 0.8 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -23.7 | 173.7 | -62.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 160 | H | 96.8 | Very high | 95.9 | Very high | 136 Ų | 136 | 96.1 Ų | 96.1 | 63% | 0.63 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -11.1 | 178.6 | -58.6 | -62.3 | 0 | 0 | 0 | 113.3 | S158 S162 S163 F164 | S158-H160 PolarHBondContact O-N 3.5Å; S158-H160 VanDerWaalsContact O-N 3.15Å; S158-H160 PolarHBondContact OG-N 2.98Å; H160-S162 PolarHBondContact O-N 3.42Å; H160-S163 PolarHBondContact O-N 3.3Å; H160-F164 WeakPolarHBondContact O-CB 3.28Å; H160-F164 PolarHBondContact O-N 2.88Å |
| 161 | Y | 97.6 | Very high | 96.1 | Very high | 43 Ų | 43 | 96.3 Ų | 96.3 | 17% | 0.169 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -59 | -44.3 | -170.6 | -173.6 | -109.9 | 0 | 0 | 0 | 113 | I152 F155 E156 S158 S163 F164 L165 | I152-Y161 HydrophobicContact CG2-CE2 3.82Å; I152-Y161 WeakPolarHBondContact O-CE2 3.46Å; F155-Y161 HydrophobicContact CB-CD2 4.24Å; F155-Y161 WeakPolarHBondContact O-CD2 3.45Å; E156-Y161 HydrophobicContact CB-CD1 4.38Å; E156-Y161 HydrophobicContact CB-CE1 4.08Å; S158-Y161 WeakPolarHBondContact O-CB 3.48Å; S158-Y161 PolarHBondContact O-N 2.96Å; Y161-S163 PolarHBondContact O-N 3.47Å; Y161-F164 HydrophobicContact CD2-CD1 4.44Å; Y161-F164 PolarHBondContact O-N 3.3Å; Y161-L165 HydrophobicContact CD1-CD1 3.94Å; Y161-L165 HydrophobicContact CD1-CG 4.43Å; Y161-L165 HydrophobicContact CE1-CD1 3.37Å; Y161-L165 HydrophobicContact CE1-CG 4.11Å; Y161-L165 HydrophobicContact CE2-CD1 4.32Å; Y161-L165 HydrophobicContact CE2-CD2 4.37Å; Y161-L165 HydrophobicContact CE2-CG 4.27Å; Y161-L165 WeakPolarHBondContact O-CG 3.28Å; Y161-L165 PolarHBondContact O-N 3.33Å |
| 162 | S | 95.6 | Very high | 96.1 | Very high | 97 Ų | 97 | 96.6 Ų | 96.6 | 68% | 0.678 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 179.8 | -170.7 | 0 | 0 | 0 | 0 | 112.6 | H160 D166 | H160-S162 PolarHBondContact O-N 3.42Å; S162-D166 PolarHBondContact O-N 3.14Å |
| 163 | S | 97.1 | Very high | 96.2 | Very high | 87 Ų | 87 | 95.8 Ų | 95.8 | 61% | 0.608 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -72.4 | -35.5 | 179.4 | -177.6 | 0 | 0 | 0 | 0 | 112 | H160 Y161 S167 | H160-S163 PolarHBondContact O-N 3.3Å; Y161-S163 PolarHBondContact O-N 3.47Å; S163-S167 PolarHBondContact O-N 3.13Å; S163-S167 VanDerWaalsContact O-N 3.16Å |
| 164 | F | 97.5 | Very high | 96.2 | Very high | 94 Ų | 94 | 99.6 Ų | 99.6 | 41% | 0.412 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -49.5 | 174.4 | 160.4 | -105.4 | 0 | 0 | 0 | 111.3 | I152 H160 Y161 D166 S167 L168 | I152-F164 HydrophobicContact CG2-CE1 4.06Å; H160-F164 WeakPolarHBondContact O-CB 3.28Å; H160-F164 PolarHBondContact O-N 2.88Å; Y161-F164 HydrophobicContact CD2-CD1 4.44Å; Y161-F164 PolarHBondContact O-N 3.3Å; F164-D166 VanDerWaalsContact C-N 3.32Å; F164-D166 PolarHBondContact O-N 3Å; F164-S167 PolarHBondContact O-N 3.1Å; F164-L168 HydrophobicContact CE1-CD2 4.13Å; F164-L168 HydrophobicContact CE2-CB 4.4Å; F164-L168 HydrophobicContact CE2-CD2 4.29Å; F164-L168 HydrophobicContact CZ-CD2 3.71Å; F164-L168 VanDerWaalsContact O-CB 3.27Å; F164-L168 WeakPolarHBondContact O-CB 3.04Å; F164-L168 PolarHBondContact O-N 3.08Å |
| 165 | L | 96.6 | Very high | 96.2 | Very high | 35 Ų | 35 | 99.3 Ų | 99.3 | 18% | 0.183 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -60.6 | -41.9 | 178.5 | -74.4 | -175.4 | 0 | 0 | 0 | 112 | I152 Y161 L168 F169 | I152-L165 HydrophobicContact CG2-CD2 3.85Å; Y161-L165 HydrophobicContact CD1-CD1 3.94Å; Y161-L165 HydrophobicContact CD1-CG 4.43Å; Y161-L165 HydrophobicContact CE1-CD1 3.37Å; Y161-L165 HydrophobicContact CE1-CG 4.11Å; Y161-L165 HydrophobicContact CE2-CD1 4.32Å; Y161-L165 HydrophobicContact CE2-CD2 4.37Å; Y161-L165 HydrophobicContact CE2-CG 4.27Å; Y161-L165 WeakPolarHBondContact O-CG 3.28Å; Y161-L165 PolarHBondContact O-N 3.33Å; L165-L168 PolarHBondContact O-N 3.27Å; L165-F169 HydrophobicContact CB-CD2 4.18Å; L165-F169 HydrophobicContact CB-CE2 4.03Å; L165-F169 HydrophobicContact CD1-CE2 4.47Å; L165-F169 HydrophobicContact CD2-CE2 3.9Å; L165-F169 HydrophobicContact CD2-CZ 4.33Å; L165-F169 HydrophobicContact CG-CE2 4.36Å; L165-F169 WeakPolarHBondContact O-CB 3.49Å; L165-F169 WeakPolarHBondContact O-CD2 3.31Å; L165-F169 WeakPolarHBondContact O-CG 3.48Å; L165-F169 PolarHBondContact O-N 2.87Å |
| 166 | D | 94.8 | Very high | 96.2 | Very high | 119 Ų | 119 | 97.2 Ų | 97.2 | 64% | 0.636 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.9 | -48.7 | 178.6 | -172.1 | 57 | 0 | 0 | 0 | 112 | S162 F164 R170 | S162-D166 PolarHBondContact O-N 3.14Å; F164-D166 VanDerWaalsContact C-N 3.32Å; F164-D166 PolarHBondContact O-N 3Å; D166-R170 WeakPolarHBondContact O-CB 3.49Å; D166-R170 PolarHBondContact O-N 3.13Å; D166-R170 VanDerWaalsContact O-N 3.15Å |
| 167 | S | 97.3 | Very high | 96.2 | Very high | 53 Ų | 53 | 98.4 Ų | 98.4 | 37% | 0.371 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 177 | -158.6 | 0 | 0 | 0 | 0 | 111.9 | S163 F164 R170 E171 | S163-S167 PolarHBondContact O-N 3.13Å; S163-S167 VanDerWaalsContact O-N 3.16Å; F164-S167 PolarHBondContact O-N 3.1Å; S167-R170 PolarHBondContact O-N 3.02Å; S167-E171 WeakPolarHBondContact O-CG 3.3Å; S167-E171 PolarHBondContact O-N 3.18Å; S167-E171 PolarHBondContact OG-OE1 3Å |
| 168 | L | 96.2 | Very high | 96.2 | Very high | 44 Ų | 44 | 94.1 Ų | 94.1 | 23% | 0.23 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -59.3 | -51.1 | -178.8 | 179.6 | 68.4 | 0 | 0 | 0 | 111.3 | I152 F164 L165 R170 E171 L172 | I152-L168 HydrophobicContact CD1-CD2 4.15Å; F164-L168 HydrophobicContact CE1-CD2 4.13Å; F164-L168 HydrophobicContact CE2-CB 4.4Å; F164-L168 HydrophobicContact CE2-CD2 4.29Å; F164-L168 HydrophobicContact CZ-CD2 3.71Å; F164-L168 VanDerWaalsContact O-CB 3.27Å; F164-L168 WeakPolarHBondContact O-CB 3.04Å; F164-L168 PolarHBondContact O-N 3.08Å; L165-L168 PolarHBondContact O-N 3.27Å; L168-R170 VanDerWaalsContact C-N 3.32Å; L168-R170 PolarHBondContact O-N 3.28Å; L168-E171 PolarHBondContact O-N 2.89Å; L168-L172 HydrophobicContact CD1-CD1 4.15Å; L168-L172 HydrophobicContact CD1-CG 4.27Å; L168-L172 HydrophobicContact CG-CD1 3.93Å; L168-L172 HydrophobicContact CG-CG 4.41Å; L168-L172 WeakPolarHBondContact O-CB 3.26Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.34Å; L168-L172 PolarHBondContact O-N 3.43Å |
| 169 | F | 95.1 | Very high | 96.2 | Very high | 104 Ų | 104 | 98 Ų | 98 | 46% | 0.456 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.6 | -36.1 | -179.3 | -72.5 | -54.9 | 0 | 0 | 0 | 112.3 | L165 C173 | L165-F169 HydrophobicContact CB-CD2 4.18Å; L165-F169 HydrophobicContact CB-CE2 4.03Å; L165-F169 HydrophobicContact CD1-CE2 4.47Å; L165-F169 HydrophobicContact CD2-CE2 3.9Å; L165-F169 HydrophobicContact CD2-CZ 4.33Å; L165-F169 HydrophobicContact CG-CE2 4.36Å; L165-F169 WeakPolarHBondContact O-CB 3.49Å; L165-F169 WeakPolarHBondContact O-CD2 3.31Å; L165-F169 WeakPolarHBondContact O-CG 3.48Å; L165-F169 PolarHBondContact O-N 2.87Å; F169-C173 WeakPolarHBondContact O-CB 3.38Å; F169-C173 PolarHBondContact O-N 3.35Å; F169-C173 VanDerWaalsContact O-N 3.08Å; F169-C173 PolarHBondContact O-SG 3.43Å |
| 170 | R | 95.3 | Very high | 96.1 | Very high | 177 Ų | 177 | 94.6 Ų | 94.6 | 67% | 0.668 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.7 | -44.1 | 174.7 | -179.4 | 173.5 | 175.2 | -94.8 | -2.5 | 111.8 | D166 S167 L168 C173 I174 | D166-R170 WeakPolarHBondContact O-CB 3.49Å; D166-R170 PolarHBondContact O-N 3.13Å; D166-R170 VanDerWaalsContact O-N 3.15Å; S167-R170 PolarHBondContact O-N 3.02Å; L168-R170 VanDerWaalsContact C-N 3.32Å; L168-R170 PolarHBondContact O-N 3.28Å; R170-C173 PolarHBondContact O-N 3.09Å; R170-I174 PolarHBondContact O-N 2.62Å |
| 171 | E | 96.8 | Very high | 96.1 | Very high | 120 Ų | 120 | 92.1 Ų | 92.1 | 56% | 0.561 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.4 | -43.1 | 178.1 | -73.9 | 173.9 | -157.1 | 0 | 0 | 112 | S167 L168 C173 I174 | S167-E171 WeakPolarHBondContact O-CG 3.3Å; S167-E171 PolarHBondContact O-N 3.18Å; S167-E171 PolarHBondContact OG-OE1 3Å; L168-E171 PolarHBondContact O-N 2.89Å; E171-C173 PolarHBondContact O-N 3.26Å; E171-I174 VanDerWaalsContact O-CG2 3.26Å; E171-I174 WeakPolarHBondContact O-CG2 3.32Å; E171-I174 PolarHBondContact O-N 3.4Å |
| 172 | L | 94.8 | Very high | 96 | Very high | 108 Ų | 108 | 96.8 Ų | 96.8 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -29.4 | 177.1 | -70 | 175.4 | 0 | 0 | 0 | 113.1 | L168 | L168-L172 HydrophobicContact CD1-CD1 4.15Å; L168-L172 HydrophobicContact CD1-CG 4.27Å; L168-L172 HydrophobicContact CG-CD1 3.93Å; L168-L172 HydrophobicContact CG-CG 4.41Å; L168-L172 WeakPolarHBondContact O-CB 3.26Å; L168-L172 VanDerWaalsContact O-CG 3.28Å; L168-L172 WeakPolarHBondContact O-CG 3.34Å; L168-L172 PolarHBondContact O-N 3.43Å |
| 173 | C | 96.1 | Very high | 96 | Very high | 22 Ų | 22 | 98.4 Ų | 98.4 | 15% | 0.149 | 50% | 0.499 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -3.1 | -177.5 | -62.7 | 0 | 0 | 0 | 0 | 114.2 | F169 R170 E171 S175 L176 L181 | F169-C173 WeakPolarHBondContact O-CB 3.38Å; F169-C173 PolarHBondContact O-N 3.35Å; F169-C173 VanDerWaalsContact O-N 3.08Å; F169-C173 PolarHBondContact O-SG 3.43Å; R170-C173 PolarHBondContact O-N 3.09Å; E171-C173 PolarHBondContact O-N 3.26Å; C173-S175 VanDerWaalsContact C-N 3.27Å; C173-S175 PolarHBondContact O-N 3.22Å; C173-L176 HydrophobicContact CB-CD1 4Å; C173-L176 WeakPolarHBondContact O-CB 3.46Å; C173-L176 PolarHBondContact O-N 3.22Å; C173-L181 HydrophobicContact CB-CD1 3.87Å |
| 174 | I | 95.9 | Very high | 96 | Very high | 132 Ų | 132 | 97.6 Ų | 97.6 | 68% | 0.677 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -29.3 | -169.7 | -157.4 | 167.9 | 0 | 0 | 0 | 113.5 | R170 E171 | R170-I174 PolarHBondContact O-N 2.62Å; E171-I174 VanDerWaalsContact O-CG2 3.26Å; E171-I174 WeakPolarHBondContact O-CG2 3.32Å; E171-I174 PolarHBondContact O-N 3.4Å |
| 175 | S | 95.1 | Very high | 95.9 | Very high | 108 Ų | 108 | 96.3 Ų | 96.3 | 76% | 0.755 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 0 | 180 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | C173 | C173-S175 VanDerWaalsContact C-N 3.27Å; C173-S175 PolarHBondContact O-N 3.22Å |
| 176 | L | 95 | Very high | 95.9 | Very high | 70 Ų | 70 | 98 Ų | 98 | 37% | 0.366 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -77.6 | 149.9 | -179.7 | -62.9 | 179.8 | 0 | 0 | 0 | 111.5 | C173 I184 | C173-L176 HydrophobicContact CB-CD1 4Å; C173-L176 WeakPolarHBondContact O-CB 3.46Å; C173-L176 PolarHBondContact O-N 3.22Å; L176-I184 HydrophobicContact CD1-CD1 3.45Å; L176-I184 VanDerWaalsContact CD1-CD1 3.45Å |
| 177 | E | 97 | Very high | 96 | Very high | 142 Ų | 142 | 96.2 Ų | 96.2 | 66% | 0.664 | 50% | 0.502 | S | S | * | . | trans | -69 | 157.4 | 171.8 | -63.6 | -174.7 | -179.7 | 0 | 0 | 111.6 | E179 D180 L181 | E177-E179 PolarHBondContact O-N 3.18Å; E177-D180 PolarHBondContact O-N 3.16Å; E177-D180 VanDerWaalsContact O-N 3.16Å; E177-L181 PolarHBondContact O-N 3.08Å | ||
| 178 | V | 95.6 | Very high | 95.9 | Very high | 101 Ų | 101 | 98.3 Ų | 98.3 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -58.2 | -35.1 | -176.4 | 178.6 | 0 | 0 | 0 | 0 | 112.1 | K182 | V178-K182 HydrophobicContact CG1-CD 4.3Å; V178-K182 WeakPolarHBondContact O-CB 3.29Å; V178-K182 VanDerWaalsContact O-CG 3.27Å; V178-K182 WeakPolarHBondContact O-CG 3.38Å; V178-K182 PolarHBondContact O-N 2.93Å |
| 179 | E | 96.9 | Very high | 95.9 | Very high | 134 Ų | 134 | 99.2 Ų | 99.2 | 63% | 0.626 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68 | -43.1 | 179.4 | -64.7 | -170 | 178.1 | 0 | 0 | 112.3 | E177 K182 K183 | E177-E179 PolarHBondContact O-N 3.18Å; E179-K182 WeakPolarHBondContact O-CB 3.45Å; E179-K182 PolarHBondContact O-N 3.41Å; E179-K183 WeakPolarHBondContact O-CG 3.45Å; E179-K183 PolarHBondContact O-N 3.19Å; E179-K183 VanDerWaalsContact O-N 3.08Å |
| 180 | D | 95.3 | Very high | 96.1 | Very high | 61 Ų | 61 | 98.7 Ų | 98.7 | 33% | 0.326 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.4 | -37.5 | 178.8 | -68.5 | -28.9 | 0 | 0 | 0 | 111.5 | E177 K182 K183 I184 | E177-D180 PolarHBondContact O-N 3.16Å; E177-D180 VanDerWaalsContact O-N 3.16Å; D180-K182 VanDerWaalsContact C-N 3.3Å; D180-K182 PolarHBondContact O-N 3.37Å; D180-K183 WeakPolarHBondContact O-CB 3.27Å; D180-K183 PolarHBondContact O-N 3.42Å; D180-K183 VanDerWaalsContact O-N 3.14Å; D180-K183 IonicContact OD1-NZ 3.45Å; D180-K183 PolarHBondContact OD1-NZ 3.03Å; D180-I184 WeakPolarHBondContact O-CG1 3.47Å; D180-I184 PolarHBondContact O-N 3.44Å |
| 181 | L | 96.2 | Very high | 96.1 | Very high | 83 Ų | 83 | 94.6 Ų | 94.6 | 44% | 0.435 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.7 | -39.5 | 171.8 | -174.7 | 62.2 | 0 | 0 | 0 | 111.9 | C173 E177 I184 S185 | C173-L181 HydrophobicContact CB-CD1 3.87Å; E177-L181 PolarHBondContact O-N 3.08Å; L181-I184 PolarHBondContact O-N 3.03Å; L181-S185 VanDerWaalsContact O-CB 3.29Å; L181-S185 WeakPolarHBondContact O-CB 3.42Å; L181-S185 PolarHBondContact O-N 3.39Å |
| 182 | K | 96.4 | Very high | 96.1 | Very high | 142 Ų | 142 | 93.3 Ų | 93.3 | 62% | 0.617 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.2 | -40 | 174 | -78.8 | 172.3 | 179.9 | 175.6 | 0 | 112.1 | V178 E179 D180 S186 | V178-K182 HydrophobicContact CG1-CD 4.3Å; V178-K182 WeakPolarHBondContact O-CB 3.29Å; V178-K182 VanDerWaalsContact O-CG 3.27Å; V178-K182 WeakPolarHBondContact O-CG 3.38Å; V178-K182 PolarHBondContact O-N 2.93Å; E179-K182 WeakPolarHBondContact O-CB 3.45Å; E179-K182 PolarHBondContact O-N 3.41Å; D180-K182 VanDerWaalsContact C-N 3.3Å; D180-K182 PolarHBondContact O-N 3.37Å; K182-S186 WeakPolarHBondContact O-CB 3.44Å; K182-S186 PolarHBondContact O-N 3.32Å |
| 183 | K | 96.3 | Very high | 96.2 | Very high | 131 Ų | 131 | 91.5 Ų | 91.5 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62 | -47.4 | 176.5 | -68.3 | 170.4 | -164.4 | 157.3 | 0 | 111.2 | E179 D180 S186 S187 | E179-K183 WeakPolarHBondContact O-CG 3.45Å; E179-K183 PolarHBondContact O-N 3.19Å; E179-K183 VanDerWaalsContact O-N 3.08Å; D180-K183 WeakPolarHBondContact O-CB 3.27Å; D180-K183 PolarHBondContact O-N 3.42Å; D180-K183 VanDerWaalsContact O-N 3.14Å; D180-K183 IonicContact OD1-NZ 3.45Å; D180-K183 PolarHBondContact OD1-NZ 3.03Å; K183-S186 PolarHBondContact O-N 2.99Å; K183-S187 PolarHBondContact O-N 2.78Å; K183-S187 VanDerWaalsContact O-N 3.09Å |
| 184 | I | 95.6 | Very high | 96.2 | Very high | 69 Ų | 69 | 95.6 Ų | 95.6 | 35% | 0.354 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 178.3 | -64.2 | 168.8 | 0 | 0 | 0 | 110.8 | L176 D180 L181 S186 S187 L188 | L176-I184 HydrophobicContact CD1-CD1 3.45Å; L176-I184 VanDerWaalsContact CD1-CD1 3.45Å; D180-I184 WeakPolarHBondContact O-CG1 3.47Å; D180-I184 PolarHBondContact O-N 3.44Å; L181-I184 PolarHBondContact O-N 3.03Å; I184-S186 PolarHBondContact O-N 3.14Å; I184-S187 WeakPolarHBondContact O-CB 3.38Å; I184-S187 PolarHBondContact O-N 3.08Å; I184-L188 PolarHBondContact O-N 2.97Å; I184-L188 VanDerWaalsContact O-N 3.08Å |
| 185 | S | 95.6 | Very high | 96.1 | Very high | 67 Ų | 67 | 95 Ų | 95 | 47% | 0.469 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 178.7 | 179.2 | 0 | 0 | 0 | 0 | 112.9 | L181 L188 S189 | L181-S185 VanDerWaalsContact O-CB 3.29Å; L181-S185 WeakPolarHBondContact O-CB 3.42Å; L181-S185 PolarHBondContact O-N 3.39Å; S185-L188 PolarHBondContact O-N 3.4Å; S185-S189 WeakPolarHBondContact O-CB 3.49Å; S185-S189 PolarHBondContact O-N 2.93Å; S185-S189 PolarHBondContact O-OG 2.9Å |
| 186 | S | 97.4 | Very high | 96.1 | Very high | 72 Ų | 72 | 94.7 Ų | 94.7 | 50% | 0.503 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 174.6 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | K182 K183 I184 L188 S189 V190 | K182-S186 WeakPolarHBondContact O-CB 3.44Å; K182-S186 PolarHBondContact O-N 3.32Å; K183-S186 PolarHBondContact O-N 2.99Å; I184-S186 PolarHBondContact O-N 3.14Å; S186-L188 PolarHBondContact O-N 3.25Å; S186-S189 WeakPolarHBondContact O-CB 3.48Å; S186-S189 PolarHBondContact O-N 3.29Å; S186-S189 VanDerWaalsContact O-N 3.15Å; S186-V190 WeakPolarHBondContact O-CG2 3.49Å; S186-V190 PolarHBondContact O-N 3.44Å |
| 187 | S | 96.4 | Very high | 96.1 | Very high | 81 Ų | 81 | 97.8 Ų | 97.8 | 57% | 0.566 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -57 | -46.2 | 176.2 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | K183 I184 S189 V190 L191 | K183-S187 PolarHBondContact O-N 2.78Å; K183-S187 VanDerWaalsContact O-N 3.09Å; I184-S187 WeakPolarHBondContact O-CB 3.38Å; I184-S187 PolarHBondContact O-N 3.08Å; S187-S189 PolarHBondContact O-N 2.99Å; S187-V190 PolarHBondContact O-N 3.28Å; S187-L191 PolarHBondContact O-N 3.07Å |
| 188 | L | 95.4 | Very high | 95.9 | Very high | 96 Ų | 96 | 94.6 Ų | 94.6 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.7 | -36.3 | 176.5 | -67.8 | 177.6 | 0 | 0 | 0 | 112.8 | I184 S185 S186 L191 L192 | I184-L188 PolarHBondContact O-N 2.97Å; I184-L188 VanDerWaalsContact O-N 3.08Å; S185-L188 PolarHBondContact O-N 3.4Å; S186-L188 PolarHBondContact O-N 3.25Å; L188-L191 PolarHBondContact O-N 3.34Å; L188-L192 WeakPolarHBondContact O-CB 3.33Å; L188-L192 PolarHBondContact O-N 2.93Å |
| 189 | S | 96.8 | Very high | 95.6 | Very high | 64 Ų | 64 | 95.7 Ų | 95.7 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | S185 S186 S187 S193 | S185-S189 WeakPolarHBondContact O-CB 3.49Å; S185-S189 PolarHBondContact O-N 2.93Å; S185-S189 PolarHBondContact O-OG 2.9Å; S186-S189 WeakPolarHBondContact O-CB 3.48Å; S186-S189 PolarHBondContact O-N 3.29Å; S186-S189 VanDerWaalsContact O-N 3.15Å; S187-S189 PolarHBondContact O-N 2.99Å; S189-S193 PolarHBondContact O-N 3.43Å; S189-S193 VanDerWaalsContact O-N 3.1Å; S189-S193 PolarHBondContact O-OG 2.88Å |
| 190 | V | 97.8 | Very high | 95.2 | Very high | 93 Ų | 93 | 96.9 Ų | 96.9 | 56% | 0.564 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.8 | -46.3 | 172.3 | 173 | 0 | 0 | 0 | 0 | 110.4 | S186 S187 L192 S193 E194 | S186-V190 WeakPolarHBondContact O-CG2 3.49Å; S186-V190 PolarHBondContact O-N 3.44Å; S187-V190 PolarHBondContact O-N 3.28Å; V190-L192 PolarHBondContact O-N 3.47Å; V190-S193 WeakPolarHBondContact O-CB 3.41Å; V190-S193 PolarHBondContact O-N 3.09Å; V190-E194 PolarHBondContact O-N 3.46Å |
| 191 | L | 96.5 | Very high | 94.6 | Very high | 91 Ų | 91 | 99.5 Ų | 99.5 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 178 | -176.4 | 145.2 | 0 | 0 | 0 | 112.5 | S187 L188 E194 K195 | S187-L191 PolarHBondContact O-N 3.07Å; L188-L191 PolarHBondContact O-N 3.34Å; L191-E194 WeakPolarHBondContact O-CB 3.45Å; L191-E194 PolarHBondContact O-N 2.97Å; L191-K195 HydrophobicContact CD2-CG 4.17Å; L191-K195 WeakPolarHBondContact O-CG 3.4Å; L191-K195 PolarHBondContact O-N 3.42Å |
| 192 | L | 96 | Very high | 93.6 | Very high | 93 Ų | 93 | 101.1 Ų | 101.1 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.9 | -48.3 | 174.3 | 179.5 | 160.9 | 0 | 0 | 0 | 110.9 | L188 V190 E194 K195 Q196 | L188-L192 WeakPolarHBondContact O-CB 3.33Å; L188-L192 PolarHBondContact O-N 2.93Å; V190-L192 PolarHBondContact O-N 3.47Å; L192-E194 VanDerWaalsContact C-N 3.29Å; L192-E194 PolarHBondContact O-N 3.15Å; L192-K195 PolarHBondContact O-N 2.96Å; L192-Q196 VanDerWaalsContact CD2-CD 3.48Å; L192-Q196 HydrophobicContact CD2-CG 4.11Å; L192-Q196 WeakPolarHBondContact O-CG 3.42Å; L192-Q196 PolarHBondContact O-N 2.95Å |
| 193 | S | 96.6 | Very high | 92.3 | Very high | 69 Ų | 69 | 102.7 Ų | 102.7 | 48% | 0.483 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 178.6 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | S189 V190 K197 | S189-S193 PolarHBondContact O-N 3.43Å; S189-S193 VanDerWaalsContact O-N 3.1Å; S189-S193 PolarHBondContact O-OG 2.88Å; V190-S193 WeakPolarHBondContact O-CB 3.41Å; V190-S193 PolarHBondContact O-N 3.09Å; S193-K197 WeakPolarHBondContact O-CB 3.46Å; S193-K197 PolarHBondContact O-N 3.19Å; S193-K197 VanDerWaalsContact O-N 3.08Å |
| 194 | E | 96.1 | Very high | 90.6 | Very high | 109 Ų | 109 | 98.8 Ų | 98.8 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.8 | -47.9 | 175.1 | -167.4 | -174.5 | 158.3 | 0 | 0 | 111.8 | V190 L191 L192 Q196 K197 Q198 | V190-E194 PolarHBondContact O-N 3.46Å; L191-E194 WeakPolarHBondContact O-CB 3.45Å; L191-E194 PolarHBondContact O-N 2.97Å; L192-E194 VanDerWaalsContact C-N 3.29Å; L192-E194 PolarHBondContact O-N 3.15Å; E194-Q196 PolarHBondContact O-N 2.94Å; E194-K197 WeakPolarHBondContact O-CB 3.34Å; E194-K197 PolarHBondContact O-N 3.31Å; E194-K197 VanDerWaalsContact O-N 3.17Å; E194-Q198 WeakPolarHBondContact O-CG 3.44Å; E194-Q198 PolarHBondContact O-N 3.49Å; E194-Q198 PolarHBondContact OE1-NE2 2.92Å |
| 195 | K | 94.8 | Very high | 88.7 | Confident | 120 Ų | 120 | 104.1 Ų | 104.1 | 52% | 0.522 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 177.4 | -71.6 | -68.7 | -175.7 | -178.4 | 0 | 111.9 | L191 L192 K197 Q198 E199 | L191-K195 HydrophobicContact CD2-CG 4.17Å; L191-K195 WeakPolarHBondContact O-CG 3.4Å; L191-K195 PolarHBondContact O-N 3.42Å; L192-K195 PolarHBondContact O-N 2.96Å; K195-K197 VanDerWaalsContact C-N 3.29Å; K195-K197 PolarHBondContact O-N 3.44Å; K195-Q198 PolarHBondContact O-N 2.96Å; K195-E199 WeakPolarHBondContact O-CG 3.49Å; K195-E199 PolarHBondContact O-N 2.95Å |
| 196 | Q | 94.3 | Very high | 86.7 | Confident | 100 Ų | 100 | 110.8 Ų | 110.8 | 47% | 0.467 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.5 | -37.9 | 176.1 | -72.3 | -178.2 | -12 | 0 | 0 | 112.6 | L192 E194 K200 | L192-Q196 VanDerWaalsContact CD2-CD 3.48Å; L192-Q196 HydrophobicContact CD2-CG 4.11Å; L192-Q196 WeakPolarHBondContact O-CG 3.42Å; L192-Q196 PolarHBondContact O-N 2.95Å; E194-Q196 PolarHBondContact O-N 2.94Å; Q196-K200 WeakPolarHBondContact O-CG 3.41Å; Q196-K200 PolarHBondContact O-N 3.21Å; Q196-K200 VanDerWaalsContact O-N 3.12Å |
| 197 | K | 94.9 | Very high | 84.6 | Confident | 135 Ų | 135 | 116.7 Ų | 116.7 | 59% | 0.587 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.4 | -43 | 176.2 | -172.8 | 179.3 | 177.9 | -177.1 | 0 | 111.6 | S193 E194 K195 E199 K200 Q201 | S193-K197 WeakPolarHBondContact O-CB 3.46Å; S193-K197 PolarHBondContact O-N 3.19Å; S193-K197 VanDerWaalsContact O-N 3.08Å; E194-K197 WeakPolarHBondContact O-CB 3.34Å; E194-K197 PolarHBondContact O-N 3.31Å; E194-K197 VanDerWaalsContact O-N 3.17Å; K195-K197 VanDerWaalsContact C-N 3.29Å; K195-K197 PolarHBondContact O-N 3.44Å; K197-E199 VanDerWaalsContact C-N 3.34Å; K197-E199 PolarHBondContact O-N 3.34Å; K197-K200 PolarHBondContact O-N 3.1Å; K197-Q201 WeakPolarHBondContact O-CG 3.48Å; K197-Q201 PolarHBondContact O-N 3.12Å |
| 198 | Q | 92.5 | Very high | 82.3 | Confident | 76 Ų | 76 | 122.9 Ų | 122.9 | 36% | 0.355 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.3 | -42.3 | 175.6 | -70.5 | 177.4 | 7.8 | 0 | 0 | 111.4 | E194 K195 Q201 N202 | E194-Q198 WeakPolarHBondContact O-CG 3.44Å; E194-Q198 PolarHBondContact O-N 3.49Å; E194-Q198 PolarHBondContact OE1-NE2 2.92Å; K195-Q198 PolarHBondContact O-N 2.96Å; Q198-Q201 PolarHBondContact O-N 3.21Å; Q198-N202 WeakPolarHBondContact O-CB 3.38Å; Q198-N202 PolarHBondContact O-N 3.46Å |
| 199 | E | 89.9 | Confident | 79.8 | Confident | 123 Ų | 123 | 127.4 Ų | 127.4 | 58% | 0.575 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.8 | -43.4 | 175.7 | -72.6 | -171.2 | 144.2 | 0 | 0 | 112.7 | K195 K197 N202 K203 | K195-E199 WeakPolarHBondContact O-CG 3.49Å; K195-E199 PolarHBondContact O-N 2.95Å; K197-E199 VanDerWaalsContact C-N 3.34Å; K197-E199 PolarHBondContact O-N 3.34Å; E199-N202 PolarHBondContact O-N 3.37Å; E199-K203 WeakPolarHBondContact O-CG 3.46Å; E199-K203 PolarHBondContact O-N 3.08Å |
| 200 | K | 87.8 | Confident | 77.4 | Confident | 159 Ų | 159 | 127.8 Ų | 127.8 | 69% | 0.691 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.6 | -40.7 | 176.6 | -73 | 175.3 | -178.3 | 178.3 | 0 | 111.9 | Q196 K197 K203 G204 | Q196-K200 WeakPolarHBondContact O-CG 3.41Å; Q196-K200 PolarHBondContact O-N 3.21Å; Q196-K200 VanDerWaalsContact O-N 3.12Å; K197-K200 PolarHBondContact O-N 3.1Å; K200-K203 PolarHBondContact O-N 2.93Å; K200-G204 PolarHBondContact O-N 3.17Å |
| 201 | Q | 82.7 | Confident | 74.9 | Confident | 116 Ų | 116 | 128.6 Ų | 128.6 | 54% | 0.542 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.9 | -37.5 | 177.2 | -73.7 | -175.3 | -2.1 | 0 | 0 | 112.9 | K197 Q198 K203 G204 | K197-Q201 WeakPolarHBondContact O-CG 3.48Å; K197-Q201 PolarHBondContact O-N 3.12Å; Q198-Q201 PolarHBondContact O-N 3.21Å; Q201-K203 VanDerWaalsContact C-N 3.3Å; Q201-K203 PolarHBondContact O-N 3.26Å; Q201-G204 PolarHBondContact O-N 3.3Å; Q201-G204 VanDerWaalsContact O-N 3.08Å |
| 202 | N | 75.8 | Confident | 72.7 | Confident | 118 Ų | 118 | 130.8 Ų | 130.8 | 63% | 0.631 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67 | -30.3 | 176.5 | -79.1 | -14.8 | 0 | 0 | 0 | 112.7 | Q198 E199 G204 | Q198-N202 WeakPolarHBondContact O-CB 3.38Å; Q198-N202 PolarHBondContact O-N 3.46Å; E199-N202 PolarHBondContact O-N 3.37Å; N202-G204 VanDerWaalsContact C-N 3.33Å |
| 203 | K | 69.9 | Low | 70.5 | Confident | 174 Ų | 174 | 131.7 Ų | 131.7 | 76% | 0.757 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.1 | -20.3 | 171.2 | -69.7 | 174.7 | -179.8 | 174.5 | 0 | 113.4 | E199 K200 Q201 | E199-K203 WeakPolarHBondContact O-CG 3.46Å; E199-K203 PolarHBondContact O-N 3.08Å; K200-K203 PolarHBondContact O-N 2.93Å; Q201-K203 VanDerWaalsContact C-N 3.3Å; Q201-K203 PolarHBondContact O-N 3.26Å |
| 204 | G | 59.2 | Low | 67.9 | Low | 50 Ų | 50 | 132.4 Ų | 132.4 | 52% | 0.515 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -77.2 | -17.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | K200 Q201 N202 K206 | K200-G204 PolarHBondContact O-N 3.17Å; Q201-G204 PolarHBondContact O-N 3.3Å; Q201-G204 VanDerWaalsContact O-N 3.08Å; N202-G204 VanDerWaalsContact C-N 3.33Å; G204-K206 VanDerWaalsContact C-N 3.29Å; G204-K206 PolarHBondContact O-N 3.31Å |
| 205 | K | 56.1 | Low | 65 | Low | 181 Ų | 181 | 130.5 Ų | 130.5 | 79% | 0.787 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 0.6 | -175.7 | -70 | -177.5 | -179.5 | 173.6 | 0 | 115.4 | ||
| 206 | K | 53.5 | Low | 62.8 | Low | 206 Ų | 206 | 128.7 Ų | 128.7 | 90% | 0.896 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.7 | 6.5 | 178.3 | -92.2 | -174.7 | -179.6 | 174.9 | 0 | 115.8 | G204 | G204-K206 VanDerWaalsContact C-N 3.29Å; G204-K206 PolarHBondContact O-N 3.31Å |
| 207 | K | 53.8 | Low | 60.3 | Low | 196 Ų | 196 | 132.2 Ų | 132.2 | 85% | 0.852 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -101.8 | 108.5 | 168.1 | -73.6 | -171 | 178.9 | -179.2 | 0 | 110 | K209 | K207-K209 PolarHBondContact O-N 3.08Š|
| 208 | K | 48.4 | Very low | 57.9 | Low | 211 Ų | 211 | 135.7 Ų | 135.7 | 92% | 0.917 | 74% | 0.74 | S | S | * | * | trans | -51.4 | 131.2 | 168.1 | -82.5 | -178.4 | 177.5 | 176.7 | 0 | 109.2 | G210 | K208-G210 PolarHBondContact O-N 3.36Š| ||
| 209 | K | 43 | Very low | 55.5 | Low | 192 Ų | 192 | 136.4 Ų | 136.4 | 84% | 0.835 | 76% | 0.759 | S | S | * | * | trans | -49.2 | 99.1 | 171.2 | -165.4 | 173.6 | -174.4 | 176.7 | 0 | 110.4 | K207 V211 | K207-K209 PolarHBondContact O-N 3.08Å; K209-V211 HydrophobicContact CG-CG2 4.36Å; K209-V211 PolarHBondContact O-N 3.02Å | ||
| 210 | G | 46.9 | Very low | 53.2 | Low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | -73.3 | 107.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | K208 V212 | K208-G210 PolarHBondContact O-N 3.36Å; G210-V212 PolarHBondContact O-N 3.38Å | ||
| 211 | V | 44.1 | Very low | 51.1 | Low | 110 Ų | 110 | 140.3 Ų | 140.3 | 67% | 0.667 | 78% | 0.782 | S | S | * | * | trans | -67.7 | 118.9 | 172.1 | 162.9 | 0 | 0 | 0 | 0 | 108 | K209 P213 | K209-V211 HydrophobicContact CG-CG2 4.36Å; K209-V211 PolarHBondContact O-N 3.02Å; V211-P213 HydrophobicContact CG1-CG 4.41Å | ||
| 212 | V | 51 | Low | 49.3 | Very low | 137 Ų | 137 | 145.4 Ų | 145.4 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | -119.2 | 113.8 | 152.1 | -172.3 | 0 | 0 | 0 | 0 | 105.6 | G210 | G210-V212 PolarHBondContact O-N 3.38Š| ||
| 213 | P | 49.3 | Very low | 47.7 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -88.5 | 133.1 | 175.5 | 33.2 | -24.9 | 0 | 0 | 0 | 108.9 | V211 | V211-P213 HydrophobicContact CG1-CG 4.41Š| ||
| 214 | G | 41.1 | Very low | 46.7 | Very low | 83 Ų | 83 | 146.7 Ų | 146.7 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | 122.7 | 134.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 215 | G | 36 | Very low | 46.1 | Very low | 70 Ų | 70 | 151.6 Ų | 151.6 | 72% | 0.722 | 83% | 0.825 | S | S | * | * | trans | 119 | 79.7 | 154.8 | 0 | 0 | 0 | 0 | 0 | 114 | L217 | G215-L217 PolarHBondContact O-N 3.36Š| ||
| 216 | G | 48.1 | Very low | 45.5 | Very low | 82 Ų | 82 | 151.1 Ų | 151.1 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | -57.8 | 128.9 | 163 | 0 | 0 | 0 | 0 | 0 | 110.3 | K218 | G216-K218 PolarHBondContact O-N 3.39Š| ||
| 217 | L | 41.4 | Very low | 45.2 | Very low | 173 Ų | 173 | 152.9 Ų | 152.9 | 91% | 0.906 | 83% | 0.834 | S | S | * | * | trans | -97.8 | 88 | 176.5 | -132.7 | 73.7 | 0 | 0 | 0 | 109.3 | G215 | G215-L217 PolarHBondContact O-N 3.36Š| ||
| 218 | K | 44.7 | Very low | 44.8 | Very low | 208 Ų | 208 | 147.5 Ų | 147.5 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | trans | -107.8 | 105 | 146.7 | -85.7 | -168.4 | 178 | 179.5 | 0 | 106.7 | G216 | G216-K218 PolarHBondContact O-N 3.39Š| ||
| 219 | A | 43.3 | Very low | 44.6 | Very low | 91 Ų | 91 | 146.5 Ų | 146.5 | 75% | 0.752 | 82% | 0.824 | S | S | * | * | trans | -157.9 | 95.3 | 157 | 0 | 0 | 0 | 0 | 0 | 108.7 | M221 | A219-M221 PolarHBondContact O-N 3.41Š| ||
| 220 | Q | 41.8 | Very low | 44.4 | Very low | 197 Ų | 197 | 146.3 Ų | 146.3 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -58.5 | 120.1 | 145.5 | -74.8 | 171.7 | -105.2 | 0 | 0 | 106.8 | ||||
| 221 | M | 43.3 | Very low | 44.3 | Very low | 167 Ų | 167 | 150.6 Ų | 150.6 | 82% | 0.823 | 83% | 0.83 | S | S | * | * | trans | 173.2 | 126.5 | 132.6 | -95 | -160.1 | 172.2 | 0 | 0 | 110.6 | A219 | A219-M221 PolarHBondContact O-N 3.41Š| ||
| 222 | R | 44.6 | Very low | 44.2 | Very low | 224 Ų | 224 | 147.3 Ų | 147.3 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | 56.6 | 105.3 | 142.8 | -67.4 | -173 | 155.6 | -170.3 | -6.9 | 118.3 | ||||
| 223 | D | 42.4 | Very low | 43.6 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -147.8 | 80.4 | 131.2 | -105.3 | -22.7 | 0 | 0 | 0 | 108.3 | ||||
| 224 | D | 48.7 | Very low | 43.4 | Very low | 160 Ų | 160 | 149.7 Ų | 149.7 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | -79.8 | 104.7 | 148.1 | -82.3 | -30.1 | 0 | 0 | 0 | 104.5 | ||||
| 225 | L | 46.6 | Very low | 43.6 | Very low | 152 Ų | 152 | 149.6 Ų | 149.6 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | 170.2 | 86.7 | 158.5 | -93.5 | 164.8 | 0 | 0 | 0 | 108.6 | ||||
| 226 | D | 42.9 | Very low | 44.3 | Very low | 172 Ų | 172 | 154.9 Ų | 154.9 | 92% | 0.92 | 82% | 0.818 | S | S | * | * | trans | -167.4 | 65 | 145.5 | -97.9 | -19.2 | 0 | 0 | 0 | 108.6 | ||||
| 227 | Y | 48.9 | Very low | 44.3 | Very low | 243 Ų | 243 | 157.2 Ų | 157.2 | 95% | 0.953 | 81% | 0.811 | S | S | * | * | trans | -103.8 | 82.2 | 164.6 | -167.6 | -93.7 | 0 | 0 | 0 | 107.2 | ||||
| 228 | A | 45 | Very low | 44.6 | Very low | 82 Ų | 82 | 158.6 Ų | 158.6 | 68% | 0.678 | 81% | 0.806 | S | S | * | * | trans | -140.7 | 83.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 229 | E | 42.8 | Very low | 45.1 | Very low | 190 Ų | 190 | 158.2 Ų | 158.2 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | 40.4 | 97 | 121.8 | -166.3 | 162.8 | -163.4 | 0 | 0 | 117.1 | |||||
| 230 | F | 40.5 | Very low | 46.2 | Very low | 188 Ų | 188 | 160.7 Ų | 160.7 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -148.2 | 83.8 | 146.8 | -164.9 | -104.9 | 0 | 0 | 0 | 109.9 | ||||
| 231 | D | 43.8 | Very low | 46.8 | Very low | 161 Ų | 161 | 160.8 Ų | 160.8 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -77.1 | 126.1 | 155.8 | 179.7 | 28.8 | 0 | 0 | 0 | 107.7 | ||||
| 232 | G | 41.9 | Very low | 47.3 | Very low | 42 Ų | 42 | 164.4 Ų | 164.4 | 43% | 0.433 | 82% | 0.824 | S | S | . | * | trans | 167.9 | 76.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 233 | G | 39.2 | Very low | 47.4 | Very low | 70 Ų | 70 | 161.4 Ų | 161.4 | 72% | 0.722 | 82% | 0.823 | S | S | * | * | trans | -56.5 | 142.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 234 | Y | 43.5 | Very low | 47.7 | Very low | 230 Ų | 230 | 161.5 Ų | 161.5 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -136 | 118 | 147.9 | -93.3 | -90.1 | 0 | 0 | 0 | 108 | ||||
| 235 | A | 46.3 | Very low | 47.7 | Very low | 80 Ų | 80 | 161.6 Ų | 161.6 | 66% | 0.661 | 82% | 0.819 | S | S | * | * | trans | -68.2 | 148.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 236 | Q | 50.6 | Low | 47.7 | Very low | 181 Ų | 181 | 162.2 Ų | 162.2 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | 86.8 | 80.5 | 133.7 | -157.4 | 154.6 | 19.7 | 0 | 0 | 118.4 | ||||
| 237 | D | 48.2 | Very low | 48 | Very low | 131 Ų | 131 | 161.6 Ų | 161.6 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -145.8 | 90.7 | 166.1 | -50.4 | 66.4 | 0 | 0 | 0 | 110.5 | ||||
| 238 | Y | 48.7 | Very low | 48 | Very low | 203 Ų | 203 | 156.1 Ų | 156.1 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | 63.6 | 108.3 | 150.4 | -56.6 | -87.6 | 0 | 0 | 0 | 117.8 | D240 | Y238-D240 VanDerWaalsContact C-N 3.33Å; Y238-D240 PolarHBondContact O-N 3.47Å | ||
| 239 | E | 54 | Low | 48.2 | Very low | 199 Ų | 199 | 161.4 Ų | 161.4 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | 34.8 | 61.7 | 78 | -68.7 | -165.8 | -177.9 | 0 | 0 | 113.5 | |||||
| 240 | D | 66.3 | Low | 48.6 | Very low | 144 Ų | 144 | 159.2 Ų | 159.2 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | -150.8 | 73.8 | 165.9 | -163.6 | 28.1 | 0 | 0 | 0 | 112.8 | Y238 | Y238-D240 VanDerWaalsContact C-N 3.33Å; Y238-D240 PolarHBondContact O-N 3.47Å | ||
| 241 | F | 54.5 | Low | 49.3 | Very low | 198 Ų | 198 | 156.8 Ų | 156.8 | 87% | 0.868 | 81% | 0.807 | S | S | * | * | trans | -161.6 | 84.1 | 140.1 | -157.2 | -107.4 | 0 | 0 | 0 | 110.9 | ||||
| 242 | M | 54.4 | Low | 49.8 | Very low | 243 Ų | 243 | 156.5 Ų | 156.5 | 100% | 1.197 | 80% | 0.802 | S | S | * | * | trans | -90 | 0 | 140.1 | -94.5 | -146.4 | -98.3 | 0 | 0 | 108.2 |
Retrieved 242 of 242 residues in 106.1 ms
(Link to these results)