| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 32.7 | Very low | 29.8 | Very low | 245 Ų | 245 | 169.5 Ų | 169.5 | 100% | 1.207 | 88% | 0.883 | S | S | * | * | 0 | 133.3 | 0 | -71 | -173.6 | -172 | 0 | 0 | 108.1 | |||||
| 2 | A | 32 | Very low | 29.6 | Very low | 98 Ų | 98 | 172.2 Ų | 172.2 | 81% | 0.81 | 88% | 0.882 | S | S | * | * | trans | 44.7 | 122.2 | 165.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 3 | C | 29.5 | Very low | 29.6 | Very low | 131 Ų | 131 | 169.2 Ų | 169.2 | 89% | 0.885 | 88% | 0.878 | S | S | * | * | cis | -146.9 | 115.2 | 48.2 | -82.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 4 | R | 34 | Very low | 29.6 | Very low | 259 Ų | 259 | 169.4 Ų | 169.4 | 98% | 0.977 | 87% | 0.872 | S | S | * | * | trans | -93.2 | 133.6 | 150 | -80.8 | 179.8 | 166.1 | -165.4 | -3 | 106.6 | ||||
| 5 | G | 28.9 | Very low | 29.3 | Very low | 66 Ų | 66 | 170.7 Ų | 170.7 | 68% | 0.68 | 87% | 0.869 | S | S | * | * | trans | 158.1 | 83.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 6 | F | 30 | Very low | 29.1 | Very low | 218 Ų | 218 | 174.9 Ų | 174.9 | 96% | 0.956 | 87% | 0.873 | S | S | * | * | trans | -161 | 63.4 | 151.6 | -111.3 | -75.2 | 0 | 0 | 0 | 109.9 | ||||
| 7 | I | 31.6 | Very low | 28.9 | Very low | 162 Ų | 162 | 178.1 Ų | 178.1 | 83% | 0.831 | 87% | 0.873 | S | S | * | * | trans | -140.8 | 140.2 | 156.7 | -60.1 | -174.1 | 0 | 0 | 0 | 105.1 | ||||
| 8 | I | 30.1 | Very low | 28.7 | Very low | 164 Ų | 164 | 174.2 Ų | 174.2 | 84% | 0.841 | 87% | 0.866 | S | S | * | * | trans | 100.3 | 83.8 | -179.6 | -48.8 | 162.1 | 0 | 0 | 0 | 113.9 | ||||
| 9 | K | 26.4 | Very low | 29.2 | Very low | 189 Ų | 189 | 170.5 Ų | 170.5 | 82% | 0.822 | 86% | 0.856 | S | S | * | * | -168.8 | 116.8 | 129.2 | -122.8 | 179 | 177.9 | -179.6 | 0 | 107.1 | |||||
| 10 | W | 26.7 | Very low | 29.1 | Very low | 265 Ų | 265 | 169 Ų | 169 | 100% | 1.004 | 85% | 0.851 | S | S | * | * | trans | 174 | 82 | 138.2 | -98.7 | 94.2 | 0 | 0 | 0 | 107.1 | ||||
| 11 | G | 26.3 | Very low | 29 | Very low | 68 Ų | 68 | 168 Ų | 168 | 70% | 0.701 | 85% | 0.854 | S | S | * | * | trans | -148.1 | 122 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 12 | K | 26.9 | Very low | 28.6 | Very low | 201 Ų | 201 | 166.2 Ų | 166.2 | 87% | 0.874 | 84% | 0.84 | S | S | * | * | trans | 92.4 | 109.7 | 165.8 | -59.5 | -178.3 | 176.4 | -178.7 | 0 | 118.5 | ||||
| 13 | T | 30 | Very low | 28.3 | Very low | 134 Ų | 134 | 167 Ų | 167 | 82% | 0.822 | 84% | 0.84 | S | S | * | * | 179.9 | 145.2 | 121.8 | 31.2 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 14 | E | 28.8 | Very low | 28.2 | Very low | 171 Ų | 171 | 172.3 Ų | 172.3 | 80% | 0.799 | 84% | 0.841 | S | S | * | * | cis | -163.4 | 132.5 | -14.2 | -110.5 | -171.1 | 171.3 | 0 | 0 | 105.4 | ||||
| 15 | F | 26.1 | Very low | 27.8 | Very low | 189 Ų | 189 | 166 Ų | 166 | 83% | 0.829 | 84% | 0.835 | S | S | * | * | 39.6 | 111.6 | 116.4 | -91.9 | -87 | 0 | 0 | 0 | 118.8 | |||||
| 16 | Y | 26.2 | Very low | 27.7 | Very low | 239 Ų | 239 | 168 Ų | 168 | 94% | 0.937 | 84% | 0.839 | S | S | * | * | trans | -146.4 | 135.2 | 139.3 | -124.5 | -90.7 | 0 | 0 | 0 | 111 | ||||
| 17 | R | 25.1 | Very low | 27.7 | Very low | 229 Ų | 229 | 162.6 Ų | 162.6 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -67.9 | 132.3 | 178.3 | -85.9 | 174.4 | 171.3 | 170.8 | -3 | 111.6 | ||||
| 18 | S | 25.5 | Very low | 27.5 | Very low | 108 Ų | 108 | 166 Ų | 166 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | 75.3 | 150.4 | 94.5 | -136.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 19 | P | 38.6 | Very low | 27.4 | Very low | 104 Ų | 104 | 166.6 Ų | 166.6 | 68% | 0.675 | 83% | 0.834 | S | S | * | * | cis | -143.2 | 170.3 | 20.5 | 40.9 | -19.6 | 0 | 0 | 0 | 119.9 | ||||
| 20 | N | 26.3 | Very low | 27.5 | Very low | 140 Ų | 140 | 163.5 Ų | 163.5 | 75% | 0.749 | 83% | 0.827 | S | S | * | * | trans | 56.7 | 116.3 | 147.8 | -71.1 | -12.1 | 0 | 0 | 0 | 121.8 | ||||
| 21 | T | 26.4 | Very low | 27.7 | Very low | 149 Ų | 149 | 156.6 Ų | 156.6 | 91% | 0.914 | 82% | 0.816 | S | S | * | * | -162.6 | 142.6 | 113.2 | 16.7 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 22 | F | 25.4 | Very low | 27.8 | Very low | 206 Ų | 206 | 163.2 Ų | 163.2 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | trans | -61 | 141.4 | -171.6 | -100.9 | -118.1 | 0 | 0 | 0 | 115.1 | ||||
| 23 | S | 26.4 | Very low | 28 | Very low | 116 Ų | 116 | 161.3 Ų | 161.3 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | 179.8 | 122.1 | 119.7 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 24 | R | 25.6 | Very low | 28.4 | Very low | 241 Ų | 241 | 162.5 Ų | 162.5 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -71.2 | 133.3 | 175.1 | -83.6 | 171 | 161.7 | 170.5 | -5.1 | 110.5 | ||||
| 25 | C | 25.5 | Very low | 29 | Very low | 127 Ų | 127 | 160.7 Ų | 160.7 | 86% | 0.858 | 80% | 0.803 | S | S | * | * | trans | -146.1 | 104.3 | 142.4 | -152.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 26 | S | 27.2 | Very low | 29.4 | Very low | 108 Ų | 108 | 162 Ų | 162 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -79.1 | 125.6 | 169.2 | 172.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 27 | S | 29.8 | Very low | 29.8 | Very low | 105 Ų | 105 | 155.2 Ų | 155.2 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -135.7 | 112.4 | 157.9 | 59.8 | 0 | 0 | 0 | 0 | 110 | L29 | S27-L29 PolarHBondContact O-N 3.39Š| ||
| 28 | R | 29.2 | Very low | 30.2 | Very low | 234 Ų | 234 | 146.4 Ų | 146.4 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -65.4 | 118.9 | 170.7 | -68.4 | 176.5 | 177.6 | -178.8 | -1.5 | 108.2 | N30 | R28-N30 PolarHBondContact O-N 3.3Š| ||
| 29 | L | 27.8 | Very low | 31 | Very low | 175 Ų | 175 | 148.4 Ų | 148.4 | 92% | 0.916 | 77% | 0.767 | S | S | * | * | trans | -71.7 | 113.3 | 171.8 | -76.3 | 161.3 | 0 | 0 | 0 | 109.4 | S27 | S27-L29 PolarHBondContact O-N 3.39Š| ||
| 30 | N | 28.1 | Very low | 30.7 | Very low | 125 Ų | 125 | 155.4 Ų | 155.4 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | trans | -98.5 | 117.7 | 176.1 | -163 | -2.5 | 0 | 0 | 0 | 108.7 | R28 Y32 | R28-N30 PolarHBondContact O-N 3.3Å; N30-Y32 PolarHBondContact O-N 3.07Å | ||
| 31 | P | 30.2 | Very low | 31 | Very low | 120 Ų | 120 | 159.5 Ų | 159.5 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -73 | 8.1 | -169.6 | 25.8 | -32.5 | 0 | 0 | 0 | 115.8 | Q33 | P31-Q33 PolarHBondContact O-N 3.25Š|
| 32 | Y | 29.1 | Very low | 31.2 | Very low | 207 Ų | 207 | 161.8 Ų | 161.8 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -84.2 | -4.5 | -170.3 | -114.2 | -92.1 | 0 | 0 | 0 | 116.3 | N30 | N30-Y32 PolarHBondContact O-N 3.07Š|
| 33 | Q | 31.9 | Very low | 31.5 | Very low | 160 Ų | 160 | 156.7 Ų | 156.7 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -97.8 | -12 | -173.5 | -84.6 | -174.9 | -24.2 | 0 | 0 | 115.9 | P31 Q35 R36 | P31-Q33 PolarHBondContact O-N 3.25Å; Q33-Q35 PolarHBondContact O-N 3.23Å; Q33-Q35 VanDerWaalsContact O-N 3.12Å; Q33-R36 PolarHBondContact O-N 3.46Å |
| 34 | Q | 37 | Very low | 31.6 | Very low | 159 Ų | 159 | 160.9 Ų | 160.9 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -8 | -169.7 | -153 | 169.8 | 9 | 0 | 0 | 114.6 | ||
| 35 | Q | 41.9 | Very low | 31.8 | Very low | 134 Ų | 134 | 160.5 Ų | 160.5 | 63% | 0.626 | 78% | 0.783 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 0.2 | 177 | -151.8 | 173.7 | -17.3 | 0 | 0 | 113.3 | Q33 R327 | Q33-Q35 PolarHBondContact O-N 3.23Å; Q33-Q35 VanDerWaalsContact O-N 3.12Å; Q35-R327 PolarHBondContact NE2-O 3.25Å; Q35-R327 VanDerWaalsContact NE2-O 3.14Å |
| 36 | R | 34.6 | Very low | 32 | Very low | 215 Ų | 215 | 160.8 Ų | 160.8 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -111.5 | -3.1 | -168.3 | -137.1 | 176.6 | 176.7 | -176.4 | -1.4 | 115.9 | Q33 | Q33-R36 PolarHBondContact O-N 3.46Š|
| 37 | S | 33.8 | Very low | 32.1 | Very low | 97 Ų | 97 | 162.8 Ų | 162.8 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -102.8 | 21.5 | -171.9 | 50.8 | 0 | 0 | 0 | 0 | 115.6 | ||
| 38 | G | 34.1 | Very low | 32.5 | Very low | 45 Ų | 45 | 162.9 Ų | 162.9 | 46% | 0.464 | 78% | 0.781 | S | S | . | * | S | Bend | trans | -108.9 | -12 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 39 | F | 42.5 | Very low | 32.6 | Very low | 150 Ų | 150 | 161.7 Ų | 161.7 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -118.5 | 88 | 179.8 | -67.2 | -74.2 | 0 | 0 | 0 | 109.3 | R41 P271 | F39-R41 PolarHBondContact O-N 3.04Å; F39-R41 VanDerWaalsContact O-N 3.08Å; F39-P271 HydrophobicContact CE2-CG 4.12Å; F39-P271 HydrophobicContact CZ-CG 3.79Å |
| 40 | R | 31.3 | Very low | 32.7 | Very low | 251 Ų | 251 | 163.5 Ų | 163.5 | 95% | 0.947 | 78% | 0.783 | S | S | * | * | trans | -60.3 | 110 | 171.9 | -167.3 | 176.6 | -169.2 | 174.4 | 2.7 | 108.2 | ||||
| 41 | R | 33.8 | Very low | 32.6 | Very low | 226 Ų | 226 | 161.1 Ų | 161.1 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 132.3 | 162.7 | -80.9 | -179.1 | 170.9 | -177.1 | -5.2 | 107.8 | F39 | F39-R41 PolarHBondContact O-N 3.04Å; F39-R41 VanDerWaalsContact O-N 3.08Å |
| 42 | E | 30.5 | Very low | 32.6 | Very low | 196 Ų | 196 | 163.1 Ų | 163.1 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 136.8 | 166.8 | -85.2 | 171.2 | 145.1 | 0 | 0 | 110.2 | K44 | E42-K44 PolarHBondContact O-N 3.03Š|
| 43 | A | 30.8 | Very low | 32.6 | Very low | 100 Ų | 100 | 159.3 Ų | 159.3 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 124.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | R45 | A43-R45 PolarHBondContact O-N 3.09Š|
| 44 | K | 29 | Very low | 32.4 | Very low | 204 Ų | 204 | 159.2 Ų | 159.2 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | -77.1 | 114.4 | 162.4 | -163.2 | 176 | -176.4 | -176.6 | 0 | 107.1 | E42 T46 | E42-K44 PolarHBondContact O-N 3.03Å; K44-T46 PolarHBondContact O-N 2.8Å | ||
| 45 | R | 28.8 | Very low | 32.1 | Very low | 233 Ų | 233 | 160.5 Ų | 160.5 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -48.7 | 130.8 | 171.3 | -87.9 | -179.3 | 170.9 | -179.2 | -3.9 | 110.3 | A43 | A43-R45 PolarHBondContact O-N 3.09Š| ||
| 46 | T | 29.8 | Very low | 31.5 | Very low | 132 Ų | 132 | 163.6 Ų | 163.6 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -92.4 | 131.6 | 163.6 | 40.4 | 0 | 0 | 0 | 0 | 108.8 | K44 | K44-T46 PolarHBondContact O-N 2.8Š| ||
| 47 | D | 30.4 | Very low | 31.2 | Very low | 151 Ų | 151 | 161.9 Ų | 161.9 | 81% | 0.807 | 82% | 0.816 | S | S | * | * | trans | -132.6 | 156.5 | 159.6 | -91.2 | -38.4 | 0 | 0 | 0 | 109.7 | ||||
| 48 | P | 38.1 | Very low | 31 | Very low | 107 Ų | 107 | 163.4 Ų | 163.4 | 70% | 0.695 | 82% | 0.822 | S | S | * | * | trans | -112.2 | 167.8 | -133.7 | 39.2 | -32.5 | 0 | 0 | 0 | 115.9 | ||||
| 49 | K | 30.2 | Very low | 30.7 | Very low | 208 Ų | 208 | 170.8 Ų | 170.8 | 90% | 0.904 | 84% | 0.841 | S | S | * | * | trans | 67 | 112.4 | 152.8 | -79.6 | 179 | 174.9 | 180 | 0 | 119.8 | ||||
| 50 | K | 29.9 | Very low | 30.5 | Very low | 214 Ų | 214 | 170.8 Ų | 170.8 | 93% | 0.93 | 85% | 0.854 | S | S | * | * | trans | -65.8 | 129.3 | 153.2 | -79 | 179 | 170 | -178.7 | 0 | 110.5 | ||||
| 51 | G | 27.6 | Very low | 30.6 | Very low | 75 Ų | 75 | 164 Ų | 164 | 77% | 0.773 | 84% | 0.844 | S | S | * | * | trans | -118.3 | 131.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 52 | N | 29.8 | Very low | 31 | Very low | 161 Ų | 161 | 158.6 Ų | 158.6 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | trans | -70.9 | 150.6 | 170.3 | -87.9 | -14.6 | 0 | 0 | 0 | 110.3 | ||||
| 53 | V | 29.5 | Very low | 31.7 | Very low | 128 Ų | 128 | 155.6 Ų | 155.6 | 78% | 0.776 | 84% | 0.836 | S | S | * | * | 173.6 | 131.6 | 123.3 | 156.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 54 | N | 28 | Very low | 32.2 | Very low | 158 Ų | 158 | 159.6 Ų | 159.6 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | trans | 61.2 | 129.4 | 154.5 | -71.5 | -6.6 | 0 | 0 | 0 | 125.2 | ||||
| 55 | Q | 29.8 | Very low | 33.1 | Very low | 185 Ų | 185 | 154.3 Ų | 154.3 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | trans | -66.3 | 142.7 | 159.8 | -63.9 | 168.2 | -3.2 | 0 | 0 | 111.5 | ||||
| 56 | Q | 28.8 | Very low | 34 | Very low | 200 Ų | 200 | 146.7 Ų | 146.7 | 94% | 0.935 | 83% | 0.826 | S | S | * | * | -168.5 | 138 | 123.8 | -107.4 | 169.3 | 13.4 | 0 | 0 | 111.6 | |||||
| 57 | Q | 29.1 | Very low | 35 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -73.4 | 150.1 | -177.5 | -73.5 | 164.8 | -43.1 | 0 | 0 | 113.1 | ||||
| 58 | T | 28.5 | Very low | 36.4 | Very low | 130 Ų | 130 | 145.3 Ų | 145.3 | 80% | 0.798 | 83% | 0.825 | S | S | * | * | 133.2 | 111.7 | 128.9 | 47.9 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 59 | K | 29.6 | Very low | 37.7 | Very low | 200 Ų | 200 | 142.9 Ų | 142.9 | 87% | 0.87 | 82% | 0.82 | S | S | * | * | trans | -176.9 | 122.4 | 137.2 | -100.3 | 165.1 | -173.1 | -176.1 | 0 | 109.2 | ||||
| 60 | T | 37.3 | Very low | 39.7 | Very low | 150 Ų | 150 | 138.8 Ų | 138.8 | 92% | 0.92 | 81% | 0.814 | S | S | * | * | trans | -57.8 | 136.6 | 170.3 | 20.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 61 | S | 34 | Very low | 41.5 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -141.8 | 151.1 | 174.1 | -46.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 62 | P | 42.6 | Very low | 43.3 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 170.8 | -162.3 | 34.2 | -36.6 | 0 | 0 | 0 | 113.2 | E64 | P62-E64 PolarHBondContact O-N 2.88Š|
| 63 | P | 43.6 | Very low | 44.8 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 125.6 | -159.7 | 26.2 | -32.2 | 0 | 0 | 0 | 111.8 | A65 | P63-A65 PolarHBondContact O-N 3.47Š|
| 64 | E | 42.6 | Very low | 46.1 | Very low | 185 Ų | 185 | 132.8 Ų | 132.8 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 120.9 | 179.6 | -157.2 | 173 | -170.4 | 0 | 0 | 109.5 | P62 G66 | P62-E64 PolarHBondContact O-N 2.88Å; E64-G66 PolarHBondContact O-N 3.35Å |
| 65 | A | 48.3 | Very low | 47.4 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 126.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | P63 T67 | P63-A65 PolarHBondContact O-N 3.47Å; A65-T67 PolarHBondContact O-N 3.39Å |
| 66 | G | 46.1 | Very low | 48.8 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -47.6 | 124.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E64 | E64-G66 PolarHBondContact O-N 3.35Š|
| 67 | T | 51.5 | Low | 50.7 | Low | 130 Ų | 130 | 131 Ų | 131 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -54 | 131.2 | 170.4 | 11.3 | 0 | 0 | 0 | 0 | 108.8 | A65 G69 | A65-T67 PolarHBondContact O-N 3.39Å; T67-G69 PolarHBondContact O-N 2.99Å; T67-G69 VanDerWaalsContact O-N 3.07Å |
| 68 | P | 59.4 | Low | 52.9 | Low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 120.8 | 172.9 | -17.8 | 29 | 0 | 0 | 0 | 108 | ||
| 69 | G | 66.5 | Low | 55.3 | Low | 56 Ų | 56 | 126.9 Ų | 126.9 | 58% | 0.577 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 153.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T67 | T67-G69 PolarHBondContact O-N 2.99Å; T67-G69 VanDerWaalsContact O-N 3.07Å |
| 70 | P | 70.6 | Confident | 58.1 | Low | 122 Ų | 122 | 126.2 Ų | 126.2 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 135.1 | -179.1 | 19.4 | -30.6 | 0 | 0 | 0 | 110 | ||
| 71 | P | 68.4 | Low | 60.8 | Low | 113 Ų | 113 | 121 Ų | 121 | 73% | 0.734 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 137.7 | -177.2 | 21.2 | -31.8 | 0 | 0 | 0 | 109 | ||
| 72 | P | 65.2 | Low | 63.6 | Low | 113 Ų | 113 | 122.6 Ų | 122.6 | 73% | 0.734 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 139.6 | 179.8 | 21.2 | -31.7 | 0 | 0 | 0 | 109 | ||
| 73 | P | 61.2 | Low | 66.1 | Low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 137.1 | -178.6 | 20.7 | -31.7 | 0 | 0 | 0 | 109.2 | K75 | P73-K75 PolarHBondContact O-N 3.3Å; P73-K75 VanDerWaalsContact O-N 3.09Å |
| 74 | P | 56.6 | Low | 68.6 | Low | 116 Ų | 116 | 119.7 Ų | 119.7 | 75% | 0.753 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 124.3 | -176 | 19 | -30.4 | 0 | 0 | 0 | 109 | V76 | P74-V76 VanDerWaalsContact C-N 3.34Å; P74-V76 PolarHBondContact O-N 2.87Å |
| 75 | K | 55.5 | Low | 71.2 | Confident | 208 Ų | 208 | 114.4 Ų | 114.4 | 90% | 0.904 | 63% | 0.628 | S | S | * | * | trans | -59.9 | 97.9 | 177.9 | -73.8 | -179.1 | -180 | 176.6 | 0 | 108.1 | P73 R77 | P73-K75 PolarHBondContact O-N 3.3Å; P73-K75 VanDerWaalsContact O-N 3.09Å; K75-R77 PolarHBondContact O-N 3.09Å | ||
| 76 | V | 60 | Low | 73.6 | Confident | 101 Ų | 101 | 114.4 Ų | 114.4 | 61% | 0.612 | 61% | 0.613 | S | S | * | * | trans | -63 | 113.4 | 176.7 | -175.2 | 0 | 0 | 0 | 0 | 106.8 | P74 R78 F269 | P74-V76 VanDerWaalsContact C-N 3.34Å; P74-V76 PolarHBondContact O-N 2.87Å; V76-R78 PolarHBondContact O-N 3.42Å; V76-F269 HydrophobicContact CG1-CD2 4.35Å; V76-F269 HydrophobicContact CG1-CE2 4Å | ||
| 77 | R | 68.1 | Low | 76 | Confident | 198 Ų | 198 | 113.5 Ų | 113.5 | 75% | 0.747 | 59% | 0.589 | S | S | * | * | trans | -57.8 | 115.7 | 179.1 | -170 | 176.8 | -176.7 | 177.8 | 2.4 | 108.1 | K75 | K75-R77 PolarHBondContact O-N 3.09Š| ||
| 78 | R | 75 | Confident | 78.2 | Confident | 202 Ų | 202 | 107.8 Ų | 107.8 | 76% | 0.762 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 130.2 | 179.4 | -70.4 | -172.4 | -179.5 | -170.2 | 0.4 | 109.3 | V76 R80 | V76-R78 PolarHBondContact O-N 3.42Å; R78-R80 PolarHBondContact O-N 2.96Å |
| 79 | P | 80.1 | Confident | 80.1 | Confident | 18 Ų | 18 | 106.4 Ų | 106.4 | 12% | 0.117 | 54% | 0.542 | C | S | . | . | P | Polyproline II helix | trans | -57 | 136.6 | 177.4 | -27.8 | 36.1 | 0 | 0 | 0 | 112.1 | P199 F269 | P79-P199 HydrophobicContact CB-CB 4.16Å; P79-P199 VanDerWaalsContact CB-O 3.23Å; P79-P199 WeakPolarHBondContact CB-O 3.33Å; P79-P199 HydrophobicContact CG-CB 4.15Å; P79-P199 WeakPolarHBondContact CG-O 3.35Å; P79-F269 VanDerWaalsContact CD-CZ 3.42Å; P79-F269 HydrophobicContact CG-CD1 4.26Å; P79-F269 HydrophobicContact CG-CE1 3.56Å; P79-F269 HydrophobicContact CG-CZ 3.85Å |
| 80 | R | 87.8 | Confident | 81.6 | Confident | 186 Ų | 186 | 105.5 Ų | 105.5 | 70% | 0.702 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 124.9 | 169.6 | -66.4 | -177.2 | 177 | -176.9 | -1.9 | 108.8 | R78 Q204 | R78-R80 PolarHBondContact O-N 2.96Å; R80-Q204 PolarHBondContact O-NE2 3.06Å; R80-Q204 PolarHBondContact O-OE1 3.4Å |
| 81 | L | 92.8 | Very high | 82.9 | Confident | 41 Ų | 41 | 102 Ų | 102 | 22% | 0.215 | 51% | 0.506 | C | S | . | . | trans | -93.5 | -8.7 | -177.5 | -66.1 | 180 | 0 | 0 | 0 | 114.1 | R83 P84 L85 M257 V261 T264 | L81-R83 PolarHBondContact O-N 2.97Å; L81-P84 WeakPolarHBondContact O-CD 3.29Å; L81-L85 WeakPolarHBondContact O-CB 3.4Å; L81-L85 PolarHBondContact O-N 3.42Å; L81-M257 HydrophobicContact CB-CE 4.05Å; L81-V261 HydrophobicContact CD1-CB 4.44Å; L81-V261 HydrophobicContact CD1-CG2 4.04Å; L81-T264 HydrophobicContact CD1-CG2 4.15Å; L81-T264 HydrophobicContact CG-CG2 4.37Å | ||
| 82 | F | 94.4 | Very high | 84.3 | Confident | 141 Ų | 141 | 97.3 Ų | 97.3 | 62% | 0.618 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -59.2 | -45.6 | -177.9 | -178.9 | -103.3 | 0 | 0 | 0 | 113 | L85 M86 | F82-L85 PolarHBondContact O-N 3.29Å; F82-M86 HydrophobicContact CD1-CG 4.32Å; F82-M86 HydrophobicContact CD2-CG 4.39Å; F82-M86 HydrophobicContact CE1-CG 3.88Å; F82-M86 HydrophobicContact CE2-CE 4.22Å; F82-M86 HydrophobicContact CE2-CG 3.94Å; F82-M86 HydrophobicContact CE2-SD 4.15Å; F82-M86 HydrophobicContact CZ-CG 3.67Å; F82-M86 HydrophobicContact CZ-SD 4.07Å; F82-M86 WeakPolarHBondContact O-CG 3.36Å; F82-M86 PolarHBondContact O-N 3.39Å |
| 83 | R | 94.6 | Very high | 85.8 | Confident | 184 Ų | 184 | 94.1 Ų | 94.1 | 69% | 0.694 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.6 | -51.9 | 178.6 | -80.2 | 178.6 | 140.3 | 179.9 | -3.8 | 112.5 | L81 L85 M86 F87 | L81-R83 PolarHBondContact O-N 2.97Å; R83-L85 VanDerWaalsContact C-N 3.27Å; R83-L85 PolarHBondContact O-N 3.5Å; R83-M86 PolarHBondContact O-N 3.32Å; R83-F87 WeakPolarHBondContact O-CB 3.43Å; R83-F87 PolarHBondContact O-N 2.93Å |
| 84 | P | 96.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 93.4 Ų | 93.4 | 0% | 0 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -53.8 | -40.1 | 171.1 | -31.2 | 36.2 | 0 | 0 | 0 | 114.2 | L81 F87 T88 Q204 M208 M257 Y260 | L81-P84 WeakPolarHBondContact O-CD 3.29Å; P84-F87 PolarHBondContact O-N 3.45Å; P84-T88 WeakPolarHBondContact O-CB 3.4Å; P84-T88 PolarHBondContact O-N 2.87Å; P84-T88 PolarHBondContact O-OG1 3.13Å; P84-Q204 HydrophobicContact CG-CB 3.83Å; P84-M208 HydrophobicContact CB-CE 4.22Å; P84-M208 HydrophobicContact CB-SD 3.8Å; P84-M257 HydrophobicContact CB-CE 4.37Å; P84-M257 HydrophobicContact CB-SD 3.59Å; P84-M257 VanDerWaalsContact CB-SD 3.59Å; P84-Y260 HydrophobicContact CB-CD2 4Å; P84-Y260 HydrophobicContact CB-CE2 4.4Å; P84-Y260 HydrophobicContact CG-CD2 4.05Å; P84-Y260 HydrophobicContact CG-CE2 4.27Å |
| 85 | L | 97.2 | Very high | 89.5 | Confident | 75 Ų | 75 | 88.7 Ų | 88.7 | 39% | 0.393 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -65.4 | -50.9 | 179.9 | -178.8 | 65.2 | 0 | 0 | 0 | 111.7 | L81 F82 R83 F87 T88 V89 M257 | L81-L85 WeakPolarHBondContact O-CB 3.4Å; L81-L85 PolarHBondContact O-N 3.42Å; F82-L85 PolarHBondContact O-N 3.29Å; R83-L85 VanDerWaalsContact C-N 3.27Å; R83-L85 PolarHBondContact O-N 3.5Å; L85-F87 VanDerWaalsContact C-N 3.26Å; L85-F87 PolarHBondContact O-N 3.45Å; L85-T88 WeakPolarHBondContact O-CB 3.29Å; L85-T88 PolarHBondContact O-N 2.8Å; L85-T88 VanDerWaalsContact O-N 3.08Å; L85-V89 PolarHBondContact O-N 2.99Å; L85-M257 HydrophobicContact CB-CE 3.86Å; L85-M257 HydrophobicContact CB-SD 4.38Å; L85-M257 HydrophobicContact CD1-CE 4.25Å |
| 86 | M | 97.8 | Very high | 91.6 | Very high | 91 Ų | 91 | 79.5 Ų | 79.5 | 45% | 0.448 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 177.4 | -68.2 | -60.4 | 98.5 | 0 | 0 | 111.5 | F82 R83 T88 V89 G90 | F82-M86 HydrophobicContact CD1-CG 4.32Å; F82-M86 HydrophobicContact CD2-CG 4.39Å; F82-M86 HydrophobicContact CE1-CG 3.88Å; F82-M86 HydrophobicContact CE2-CE 4.22Å; F82-M86 HydrophobicContact CE2-CG 3.94Å; F82-M86 HydrophobicContact CE2-SD 4.15Å; F82-M86 HydrophobicContact CZ-CG 3.67Å; F82-M86 HydrophobicContact CZ-SD 4.07Å; F82-M86 WeakPolarHBondContact O-CG 3.36Å; F82-M86 PolarHBondContact O-N 3.39Å; R83-M86 PolarHBondContact O-N 3.32Å; M86-T88 VanDerWaalsContact C-N 3.34Å; M86-T88 PolarHBondContact O-N 2.83Å; M86-V89 PolarHBondContact O-N 3.5Å; M86-G90 PolarHBondContact O-N 3.08Å |
| 87 | F | 97.8 | Very high | 93.3 | Very high | 55 Ų | 55 | 75.4 Ų | 75.4 | 24% | 0.241 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 173.8 | -179.9 | -101.6 | 0 | 0 | 0 | 112.3 | R83 P84 L85 F91 C205 M208 I209 V253 | R83-F87 WeakPolarHBondContact O-CB 3.43Å; R83-F87 PolarHBondContact O-N 2.93Å; P84-F87 PolarHBondContact O-N 3.45Å; L85-F87 VanDerWaalsContact C-N 3.26Å; L85-F87 PolarHBondContact O-N 3.45Å; F87-F91 WeakPolarHBondContact O-CB 3.23Å; F87-F91 PolarHBondContact O-N 2.99Å; F87-C205 HydrophobicContact CB-CB 4.03Å; F87-C205 HydrophobicContact CD1-CB 3.84Å; F87-C205 HydrophobicContact CD2-CB 3.68Å; F87-C205 HydrophobicContact CE1-CB 4.14Å; F87-C205 WeakPolarHBondContact CE1-O 3.32Å; F87-C205 HydrophobicContact CE2-CB 3.98Å; F87-C205 HydrophobicContact CG-CB 3.57Å; F87-C205 HydrophobicContact CZ-CB 4.17Å; F87-M208 HydrophobicContact CD1-SD 3.84Å; F87-M208 HydrophobicContact CE1-CB 4.22Å; F87-M208 HydrophobicContact CE1-SD 4.44Å; F87-I209 HydrophobicContact CE1-CD1 3.91Å; F87-I209 HydrophobicContact CE1-CG1 4Å; F87-I209 HydrophobicContact CZ-CD1 3.43Å; F87-I209 VanDerWaalsContact CZ-CD1 3.43Å; F87-I209 HydrophobicContact CZ-CG1 4.03Å; F87-V253 HydrophobicContact CD1-CG1 4.1Å; F87-V253 HydrophobicContact CE1-CG1 4.17Å |
| 88 | T | 98.1 | Very high | 94.7 | Very high | 10 Ų | 10 | 67.4 Ų | 67.4 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.9 | -48.4 | 178 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | P84 L85 M86 A92 M208 V253 I254 M257 | P84-T88 WeakPolarHBondContact O-CB 3.4Å; P84-T88 PolarHBondContact O-N 2.87Å; P84-T88 PolarHBondContact O-OG1 3.13Å; L85-T88 WeakPolarHBondContact O-CB 3.29Å; L85-T88 PolarHBondContact O-N 2.8Å; L85-T88 VanDerWaalsContact O-N 3.08Å; M86-T88 VanDerWaalsContact C-N 3.34Å; M86-T88 PolarHBondContact O-N 2.83Å; T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.38Å; T88-A92 PolarHBondContact O-N 3.32Å; T88-M208 WeakPolarHBondContact OG1-CE 3.27Å; T88-V253 HydrophobicContact CG2-CG1 3.99Å; T88-I254 HydrophobicContact CG2-CB 4.4Å; T88-I254 HydrophobicContact CG2-CG1 3.59Å; T88-M257 HydrophobicContact CG2-CB 4.27Å |
| 89 | V | 97.9 | Very high | 95.8 | Very high | 94 Ų | 94 | 58.2 Ų | 58.2 | 57% | 0.57 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -64 | -49.5 | 179.2 | 175.6 | 0 | 0 | 0 | 0 | 110.8 | L85 M86 A92 G93 | L85-V89 PolarHBondContact O-N 2.99Å; M86-V89 PolarHBondContact O-N 3.5Å; V89-A92 PolarHBondContact O-N 3.04Å; V89-G93 PolarHBondContact O-N 3.45Å |
| 90 | G | 98.1 | Very high | 96.6 | Very high | 38 Ų | 38 | 57.4 Ų | 57.4 | 39% | 0.392 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | M86 G93 C94 | M86-G90 PolarHBondContact O-N 3.08Å; G90-G93 PolarHBondContact O-N 2.96Å; G90-C94 WeakPolarHBondContact O-CB 3.18Å; G90-C94 PolarHBondContact O-N 2.89Å; G90-C94 PolarHBondContact O-SG 3.37Å; G90-C94 VanDerWaalsContact O-SG 3.32Å |
| 91 | F | 98.3 | Very high | 97 | Very high | 48 Ų | 48 | 50.3 Ų | 50.3 | 21% | 0.211 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 179.3 | -177.4 | -96 | 0 | 0 | 0 | 112.1 | F87 G93 C94 S95 I209 L249 V253 | F87-F91 WeakPolarHBondContact O-CB 3.23Å; F87-F91 PolarHBondContact O-N 2.99Å; F91-G93 VanDerWaalsContact C-N 3.35Å; F91-G93 PolarHBondContact O-N 3.32Å; F91-C94 PolarHBondContact O-N 2.81Å; F91-S95 VanDerWaalsContact O-CB 3.22Å; F91-S95 WeakPolarHBondContact O-CB 3.35Å; F91-S95 PolarHBondContact O-N 2.74Å; F91-I209 HydrophobicContact CD1-CD1 4.48Å; F91-I209 HydrophobicContact CD1-CG1 4.39Å; F91-I209 HydrophobicContact CD2-CD1 3.42Å; F91-I209 VanDerWaalsContact CD2-CD1 3.42Å; F91-I209 HydrophobicContact CD2-CG1 4.19Å; F91-I209 HydrophobicContact CE1-CD1 4.27Å; F91-I209 HydrophobicContact CE1-CG1 4.09Å; F91-I209 HydrophobicContact CE2-CD1 3.18Å; F91-I209 HydrophobicContact CE2-CG1 3.89Å; F91-I209 HydrophobicContact CG-CD1 4.08Å; F91-I209 HydrophobicContact CG-CG1 4.42Å; F91-I209 HydrophobicContact CZ-CD1 3.64Å; F91-I209 HydrophobicContact CZ-CG1 3.82Å; F91-I209 HydrophobicContact CZ-CG2 4.25Å; F91-L249 HydrophobicContact CE1-CB 3.98Å; F91-L249 HydrophobicContact CZ-CB 4.25Å; F91-V253 HydrophobicContact CD1-CB 4.16Å; F91-V253 HydrophobicContact CD1-CG2 3.46Å; F91-V253 VanDerWaalsContact CD1-CG2 3.46Å; F91-V253 HydrophobicContact CE1-CG2 3.63Å; F91-V253 HydrophobicContact CG-CG2 4.22Å |
| 92 | A | 97.9 | Very high | 97.2 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 12% | 0.124 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.7 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T88 V89 S95 F96 | T88-A92 VanDerWaalsContact O-CB 3.3Å; T88-A92 WeakPolarHBondContact O-CB 3.38Å; T88-A92 PolarHBondContact O-N 3.32Å; V89-A92 PolarHBondContact O-N 3.04Å; A92-S95 PolarHBondContact O-N 3.12Å; A92-F96 VanDerWaalsContact O-CD2 3.23Å; A92-F96 WeakPolarHBondContact O-CD2 3.46Å; A92-F96 PolarHBondContact O-N 2.86Å |
| 93 | G | 97.2 | Very high | 97.3 | Very high | 46 Ų | 46 | 48.8 Ų | 48.8 | 47% | 0.474 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.1 | -50 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V89 G90 F91 S95 F96 G97 | V89-G93 PolarHBondContact O-N 3.45Å; G90-G93 PolarHBondContact O-N 2.96Å; F91-G93 VanDerWaalsContact C-N 3.35Å; F91-G93 PolarHBondContact O-N 3.32Å; G93-S95 VanDerWaalsContact C-N 3.32Å; G93-S95 PolarHBondContact O-N 2.92Å; G93-F96 PolarHBondContact O-N 3.45Å; G93-G97 PolarHBondContact O-N 3.49Å |
| 94 | C | 97.7 | Very high | 97.3 | Very high | 94 Ų | 94 | 42.7 Ų | 42.7 | 64% | 0.635 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.4 | -38 | 175.7 | -70.5 | 0 | 0 | 0 | 0 | 112.4 | G90 F91 G97 G98 | G90-C94 WeakPolarHBondContact O-CB 3.18Å; G90-C94 PolarHBondContact O-N 2.89Å; G90-C94 PolarHBondContact O-SG 3.37Å; G90-C94 VanDerWaalsContact O-SG 3.32Å; F91-C94 PolarHBondContact O-N 2.81Å; C94-G97 PolarHBondContact O-N 3.15Å; C94-G98 PolarHBondContact O-N 3.47Å |
| 95 | S | 97.8 | Very high | 97.2 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 13% | 0.126 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.7 | -48.1 | 179.1 | -170.1 | 0 | 0 | 0 | 0 | 111.3 | F91 A92 G93 A99 A246 | F91-S95 VanDerWaalsContact O-CB 3.22Å; F91-S95 WeakPolarHBondContact O-CB 3.35Å; F91-S95 PolarHBondContact O-N 2.74Å; A92-S95 PolarHBondContact O-N 3.12Å; G93-S95 VanDerWaalsContact C-N 3.32Å; G93-S95 PolarHBondContact O-N 2.92Å; S95-A99 VanDerWaalsContact O-CB 3.31Å; S95-A99 WeakPolarHBondContact O-CB 3.43Å; S95-A99 PolarHBondContact O-N 2.98Å; S95-A246 WeakPolarHBondContact OG-CA 3.21Å |
| 96 | F | 98.1 | Very high | 97 | Very high | 14 Ų | 14 | 43.1 Ų | 43.1 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 175.4 | -78.3 | -64.9 | 0 | 0 | 0 | 112.9 | A92 G93 A99 A100 A246 V247 F340 Y344 I352 W353 | A92-F96 VanDerWaalsContact O-CD2 3.23Å; A92-F96 WeakPolarHBondContact O-CD2 3.46Å; A92-F96 PolarHBondContact O-N 2.86Å; G93-F96 PolarHBondContact O-N 3.45Å; F96-A99 PolarHBondContact O-N 2.99Å; F96-A100 WeakPolarHBondContact O-CB 3.5Å; F96-A100 PolarHBondContact O-N 3.36Å; F96-A246 HydrophobicContact CD1-CB 3.63Å; F96-A246 HydrophobicContact CE1-CB 3.74Å; F96-A246 HydrophobicContact CG-CB 4.22Å; F96-A246 HydrophobicContact CZ-CB 4.45Å; F96-V247 HydrophobicContact CE1-CG2 3.87Å; F96-V247 HydrophobicContact CZ-CG2 3.89Å; F96-F340 HydrophobicContact CZ-CZ 4.5Å; F96-Y344 AromaticContact CE1-CE2 3.59Å; F96-Y344 HydrophobicContact CE1-CE2 3.59Å; F96-Y344 AromaticContact CE1-CZ 3.65Å; F96-Y344 WeakPolarHBondContact CE1-OH 3.49Å; F96-Y344 HydrophobicContact CE2-CE2 4.25Å; F96-Y344 HydrophobicContact CZ-CD2 4.08Å; F96-Y344 AromaticContact CZ-CE2 3.33Å; F96-Y344 HydrophobicContact CZ-CE2 3.33Å; F96-Y344 AromaticContact CZ-CZ 3.84Å; F96-I352 HydrophobicContact CB-CG2 4.04Å; F96-I352 HydrophobicContact CD1-CG2 4.23Å; F96-I352 HydrophobicContact CD2-CD1 4.49Å; F96-I352 HydrophobicContact CD2-CG2 4.21Å; F96-I352 HydrophobicContact CE2-CD1 4.39Å; F96-I352 HydrophobicContact CG-CG2 3.89Å; F96-W353 HydrophobicContact CD1-CE3 4.15Å; F96-W353 HydrophobicContact CD1-CZ3 4.34Å |
| 97 | G | 97.3 | Very high | 96.7 | Very high | 15 Ų | 15 | 44 Ų | 44 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.8 | -46.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G93 C94 A99 A100 I101 L359 | G93-G97 PolarHBondContact O-N 3.49Å; C94-G97 PolarHBondContact O-N 3.15Å; G97-A99 PolarHBondContact O-N 2.95Å; G97-A100 PolarHBondContact O-N 3.49Å; G97-I101 WeakPolarHBondContact O-CG1 3.37Å; G97-I101 PolarHBondContact O-N 2.81Å; G97-I101 VanDerWaalsContact O-N 3.08Å; G97-L359 VanDerWaalsContact CA-CD2 3.48Å |
| 98 | G | 97.6 | Very high | 96.4 | Very high | 30 Ų | 30 | 46 Ų | 46 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | C94 A100 I101 L102 | C94-G98 PolarHBondContact O-N 3.47Å; G98-A100 PolarHBondContact O-N 3.26Å; G98-I101 PolarHBondContact O-N 2.71Å; G98-L102 WeakPolarHBondContact O-CB 3.27Å; G98-L102 VanDerWaalsContact O-CG 3.26Å; G98-L102 WeakPolarHBondContact O-CG 3.45Å; G98-L102 PolarHBondContact O-N 3.42Å |
| 99 | A | 97.5 | Very high | 96.1 | Very high | 9 Ų | 9 | 48.1 Ų | 48.1 | 7% | 0.074 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S95 F96 G97 L102 Q103 E242 A246 W353 | S95-A99 VanDerWaalsContact O-CB 3.31Å; S95-A99 WeakPolarHBondContact O-CB 3.43Å; S95-A99 PolarHBondContact O-N 2.98Å; F96-A99 PolarHBondContact O-N 2.99Å; G97-A99 PolarHBondContact O-N 2.95Å; A99-L102 PolarHBondContact O-N 2.98Å; A99-Q103 WeakPolarHBondContact O-CB 3.15Å; A99-Q103 PolarHBondContact O-N 3.26Å; A99-E242 HydrophobicContact CB-CB 4.33Å; A99-E242 WeakPolarHBondContact CB-O 3.36Å; A99-A246 HydrophobicContact CB-CB 3.63Å; A99-W353 HydrophobicContact CB-CH2 4.08Å; A99-W353 HydrophobicContact CB-CZ3 4.03Å |
| 100 | A | 97.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.017 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F96 G97 G98 Y104 W353 R356 L359 V360 | F96-A100 WeakPolarHBondContact O-CB 3.5Å; F96-A100 PolarHBondContact O-N 3.36Å; G97-A100 PolarHBondContact O-N 3.49Å; G98-A100 PolarHBondContact O-N 3.26Å; A100-Y104 PolarHBondContact O-N 3.29Å; A100-Y104 VanDerWaalsContact O-N 3.08Å; A100-W353 HydrophobicContact CB-CZ3 4.4Å; A100-R356 HydrophobicContact CB-CB 3.97Å; A100-R356 HydrophobicContact CB-CG 4.24Å; A100-L359 HydrophobicContact CB-CD2 4.4Å; A100-V360 HydrophobicContact CB-CG2 4.29Å |
| 101 | I | 96.6 | Very high | 95.3 | Very high | 36 Ų | 36 | 51.4 Ų | 51.4 | 19% | 0.185 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.7 | -47.3 | 175.9 | -67.5 | 167.5 | 0 | 0 | 0 | 110.7 | G97 G98 Q103 Y104 E105 W363 | G97-I101 WeakPolarHBondContact O-CG1 3.37Å; G97-I101 PolarHBondContact O-N 2.81Å; G97-I101 VanDerWaalsContact O-N 3.08Å; G98-I101 PolarHBondContact O-N 2.71Å; I101-Q103 VanDerWaalsContact C-N 3.3Å; I101-Q103 PolarHBondContact O-N 2.84Å; I101-Y104 WeakPolarHBondContact O-CB 3.23Å; I101-Y104 PolarHBondContact O-N 3.35Å; I101-Y104 VanDerWaalsContact O-N 3.13Å; I101-E105 HydrophobicContact CG2-CG 4.32Å; I101-E105 WeakPolarHBondContact O-CG 3.11Å; I101-E105 PolarHBondContact O-N 2.94Å; I101-W363 HydrophobicContact CD1-CB 4.44Å; I101-W363 HydrophobicContact CD1-CD2 4.14Å; I101-W363 HydrophobicContact CD1-CE3 4.08Å; I101-W363 HydrophobicContact CD1-CG 4.29Å; I101-W363 HydrophobicContact CG1-CB 4.25Å; I101-W363 HydrophobicContact CG1-CD2 4.35Å; I101-W363 HydrophobicContact CG1-CG 4.09Å; I101-W363 HydrophobicContact CG2-CD2 3.9Å; I101-W363 HydrophobicContact CG2-CG 4.05Å; I101-W363 HydrophobicContact CG2-CZ2 4.13Å |
| 102 | L | 96.2 | Very high | 94.8 | Very high | 106 Ų | 106 | 53.7 Ų | 53.7 | 56% | 0.555 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.5 | -39.8 | 178.1 | -73.5 | 172.1 | 0 | 0 | 0 | 112 | G98 A99 E105 T106 | G98-L102 WeakPolarHBondContact O-CB 3.27Å; G98-L102 VanDerWaalsContact O-CG 3.26Å; G98-L102 WeakPolarHBondContact O-CG 3.45Å; G98-L102 PolarHBondContact O-N 3.42Å; A99-L102 PolarHBondContact O-N 2.98Å; L102-E105 PolarHBondContact O-N 3.4Å; L102-T106 VanDerWaalsContact O-CB 3.26Å; L102-T106 WeakPolarHBondContact O-CB 3.23Å; L102-T106 PolarHBondContact O-N 3.13Å; L102-T106 PolarHBondContact O-OG1 3.23Å |
| 103 | Q | 96.4 | Very high | 94.4 | Very high | 44 Ų | 44 | 57.2 Ų | 57.2 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.6 | -45 | 174.8 | -177.8 | 178.7 | 62 | 0 | 0 | 111 | A99 I101 T106 L107 E242 R356 | A99-Q103 WeakPolarHBondContact O-CB 3.15Å; A99-Q103 PolarHBondContact O-N 3.26Å; I101-Q103 VanDerWaalsContact C-N 3.3Å; I101-Q103 PolarHBondContact O-N 2.84Å; Q103-T106 PolarHBondContact O-N 2.97Å; Q103-L107 WeakPolarHBondContact O-CB 3.24Å; Q103-L107 PolarHBondContact O-N 3.44Å; Q103-E242 HydrophobicContact CB-CB 4.06Å; Q103-E242 HydrophobicContact CB-CG 3.96Å; Q103-R356 VanDerWaalsContact OE1-NE 3.07Å |
| 104 | Y | 94.4 | Very high | 93.8 | Very high | 57 Ų | 57 | 58 Ų | 58 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 177.4 | 170.5 | -100.5 | 0 | 0 | 0 | 111.9 | A100 I101 T106 L107 K108 V360 H364 | A100-Y104 PolarHBondContact O-N 3.29Å; A100-Y104 VanDerWaalsContact O-N 3.08Å; I101-Y104 WeakPolarHBondContact O-CB 3.23Å; I101-Y104 PolarHBondContact O-N 3.35Å; I101-Y104 VanDerWaalsContact O-N 3.13Å; Y104-T106 PolarHBondContact O-N 2.85Å; Y104-L107 PolarHBondContact O-N 3.23Å; Y104-K108 HydrophobicContact CE1-CD 4.43Å; Y104-K108 WeakPolarHBondContact O-CB 3.34Å; Y104-K108 PolarHBondContact O-N 3.32Å; Y104-V360 HydrophobicContact CD1-CG1 4.13Å; Y104-V360 HydrophobicContact CD2-CG1 3.32Å; Y104-V360 HydrophobicContact CE2-CG1 3.97Å; Y104-V360 HydrophobicContact CG-CG1 3.42Å; Y104-V360 VanDerWaalsContact CG-CG1 3.42Å; Y104-H364 AromaticContact CZ-ND1 3.83Å; Y104-H364 PolarHBondContact OH-ND1 3.35Å |
| 105 | E | 94.4 | Very high | 93.2 | Very high | 40 Ų | 40 | 59.4 Ų | 59.4 | 19% | 0.187 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.1 | -39.6 | 179.3 | -67.8 | -66.5 | 160.2 | 0 | 0 | 111.9 | I101 L102 K108 A109 W363 R367 | I101-E105 HydrophobicContact CG2-CG 4.32Å; I101-E105 WeakPolarHBondContact O-CG 3.11Å; I101-E105 PolarHBondContact O-N 2.94Å; L102-E105 PolarHBondContact O-N 3.4Å; E105-K108 PolarHBondContact O-N 3.42Å; E105-A109 WeakPolarHBondContact O-CB 3.24Å; E105-A109 PolarHBondContact O-N 3.35Å; E105-W363 PolarHBondContact OE1-NE1 3.28Å; E105-R367 IonicContact OE1-CZ 2.72Å; E105-R367 IonicContact OE1-NH1 3.41Å; E105-R367 PolarHBondContact OE1-NH1 2.84Å; E105-R367 IonicContact OE2-CZ 2.91Å; E105-R367 IonicContact OE2-NH1 3.68Å; E105-R367 PolarHBondContact OE2-NH1 2.95Å |
| 106 | T | 93.2 | Very high | 92.5 | Very high | 44 Ų | 44 | 62.1 Ų | 62.1 | 27% | 0.27 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.3 | -43.3 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | L102 Q103 Y104 A109 R110 | L102-T106 VanDerWaalsContact O-CB 3.26Å; L102-T106 WeakPolarHBondContact O-CB 3.23Å; L102-T106 PolarHBondContact O-N 3.13Å; L102-T106 PolarHBondContact O-OG1 3.23Å; Q103-T106 PolarHBondContact O-N 2.97Å; Y104-T106 PolarHBondContact O-N 2.85Å; T106-A109 PolarHBondContact O-N 3.22Å; T106-R110 WeakPolarHBondContact O-CB 3.38Å; T106-R110 VanDerWaalsContact O-CG 3.28Å; T106-R110 WeakPolarHBondContact O-CG 3.37Å; T106-R110 PolarHBondContact O-N 3.37Å |
| 107 | L | 91.8 | Very high | 91.6 | Very high | 109 Ų | 109 | 63 Ų | 63 | 57% | 0.571 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.2 | -44 | 177.5 | -175.5 | 64.8 | 0 | 0 | 0 | 111.1 | Q103 Y104 R110 V111 | Q103-L107 WeakPolarHBondContact O-CB 3.24Å; Q103-L107 PolarHBondContact O-N 3.44Å; Y104-L107 PolarHBondContact O-N 3.23Å; L107-R110 PolarHBondContact O-N 3.03Å; L107-V111 WeakPolarHBondContact O-CG2 3.43Å; L107-V111 PolarHBondContact O-N 2.87Å |
| 108 | K | 91.6 | Very high | 90.6 | Very high | 97 Ų | 97 | 67.7 Ų | 67.7 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 176.4 | -175.9 | -176.8 | 175.7 | -173.1 | 0 | 111.7 | Y104 E105 R110 V111 Q112 | Y104-K108 HydrophobicContact CE1-CD 4.43Å; Y104-K108 WeakPolarHBondContact O-CB 3.34Å; Y104-K108 PolarHBondContact O-N 3.32Å; E105-K108 PolarHBondContact O-N 3.42Å; K108-R110 VanDerWaalsContact C-N 3.34Å; K108-R110 PolarHBondContact O-N 2.92Å; K108-V111 PolarHBondContact O-N 3.28Å; K108-Q112 PolarHBondContact O-N 3.45Å |
| 109 | A | 91.1 | Very high | 89.5 | Confident | 54 Ų | 54 | 72.6 Ų | 72.6 | 45% | 0.446 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.2 | -44 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | E105 T106 V111 Q112 T113 | E105-A109 WeakPolarHBondContact O-CB 3.24Å; E105-A109 PolarHBondContact O-N 3.35Å; T106-A109 PolarHBondContact O-N 3.22Å; A109-V111 VanDerWaalsContact C-N 3.35Å; A109-V111 PolarHBondContact O-N 3.3Å; A109-Q112 PolarHBondContact O-N 2.95Å; A109-T113 WeakPolarHBondContact O-CG2 3.33Å; A109-T113 PolarHBondContact O-N 2.86Å; A109-T113 PolarHBondContact O-OG1 2.96Å; A109-T113 VanDerWaalsContact O-OG1 3.09Å |
| 110 | R | 88.9 | Confident | 88.3 | Confident | 128 Ų | 128 | 77.1 Ų | 77.1 | 48% | 0.483 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 176.2 | -75.6 | 173.6 | 176.5 | -172.2 | -3.6 | 112.6 | T106 L107 K108 Q112 T113 A114 E163 | T106-R110 WeakPolarHBondContact O-CB 3.38Å; T106-R110 VanDerWaalsContact O-CG 3.28Å; T106-R110 WeakPolarHBondContact O-CG 3.37Å; T106-R110 PolarHBondContact O-N 3.37Å; L107-R110 PolarHBondContact O-N 3.03Å; K108-R110 VanDerWaalsContact C-N 3.34Å; K108-R110 PolarHBondContact O-N 2.92Å; R110-Q112 VanDerWaalsContact C-N 3.34Å; R110-T113 WeakPolarHBondContact CA-OG1 3.21Å; R110-T113 PolarHBondContact O-OG1 3.02Å; R110-A114 WeakPolarHBondContact O-CB 3.34Å; R110-A114 PolarHBondContact O-N 3.29Å; R110-E163 IonicContact NH2-OE1 2.79Å |
| 111 | V | 90.4 | Very high | 87 | Confident | 73 Ų | 73 | 83.7 Ų | 83.7 | 44% | 0.442 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 177 | 171.2 | 0 | 0 | 0 | 0 | 111 | L107 K108 A109 A114 K115 | L107-V111 WeakPolarHBondContact O-CG2 3.43Å; L107-V111 PolarHBondContact O-N 2.87Å; K108-V111 PolarHBondContact O-N 3.28Å; A109-V111 VanDerWaalsContact C-N 3.35Å; A109-V111 PolarHBondContact O-N 3.3Å; V111-A114 PolarHBondContact O-N 2.86Å; V111-K115 WeakPolarHBondContact O-CG 3.43Å; V111-K115 PolarHBondContact O-N 3.13Å |
| 112 | Q | 88.4 | Confident | 85.7 | Confident | 97 Ų | 97 | 88.7 Ų | 88.7 | 45% | 0.453 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.5 | -49.3 | 177.6 | -169.8 | 61.5 | 42.2 | 0 | 0 | 111.3 | K108 A109 R110 A114 K115 D116 | K108-Q112 PolarHBondContact O-N 3.45Å; A109-Q112 PolarHBondContact O-N 2.95Å; R110-Q112 VanDerWaalsContact C-N 3.34Å; Q112-A114 PolarHBondContact O-N 3.3Å; Q112-K115 WeakPolarHBondContact O-CB 3.4Å; Q112-K115 PolarHBondContact O-N 3.27Å; Q112-K115 VanDerWaalsContact O-N 3.08Å; Q112-D116 PolarHBondContact NE2-OD1 2.99Å; Q112-D116 PolarHBondContact O-N 2.93Å |
| 113 | T | 88 | Confident | 84.4 | Confident | 89 Ų | 89 | 90.5 Ų | 90.5 | 55% | 0.546 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.8 | -30.3 | 178.3 | 52.6 | 0 | 0 | 0 | 0 | 113 | A109 R110 G117 | A109-T113 WeakPolarHBondContact O-CG2 3.33Å; A109-T113 PolarHBondContact O-N 2.86Å; A109-T113 PolarHBondContact O-OG1 2.96Å; A109-T113 VanDerWaalsContact O-OG1 3.09Å; R110-T113 WeakPolarHBondContact CA-OG1 3.21Å; R110-T113 PolarHBondContact O-OG1 3.02Å; T113-G117 WeakPolarHBondContact O-CA 3.35Å; T113-G117 PolarHBondContact O-N 3.13Å |
| 114 | A | 85.6 | Confident | 82.9 | Confident | 62 Ų | 62 | 92.7 Ų | 92.7 | 51% | 0.512 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.2 | -39.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | R110 V111 Q112 E118 | R110-A114 WeakPolarHBondContact O-CB 3.34Å; R110-A114 PolarHBondContact O-N 3.29Å; V111-A114 PolarHBondContact O-N 2.86Å; Q112-A114 PolarHBondContact O-N 3.3Å; A114-E118 PolarHBondContact O-N 3.44Å; A114-E118 VanDerWaalsContact O-N 3.07Å |
| 115 | K | 83.8 | Confident | 81.2 | Confident | 124 Ų | 124 | 98.2 Ų | 98.2 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -48.1 | 174.7 | -69.7 | 176.3 | 176.7 | -170.9 | 0 | 111.5 | V111 Q112 G117 E118 E119 | V111-K115 WeakPolarHBondContact O-CG 3.43Å; V111-K115 PolarHBondContact O-N 3.13Å; Q112-K115 WeakPolarHBondContact O-CB 3.4Å; Q112-K115 PolarHBondContact O-N 3.27Å; Q112-K115 VanDerWaalsContact O-N 3.08Å; K115-G117 VanDerWaalsContact C-N 3.29Å; K115-G117 PolarHBondContact O-N 3.43Å; K115-E118 PolarHBondContact O-N 3.02Å; K115-E119 PolarHBondContact O-N 2.58Å |
| 116 | D | 84.3 | Confident | 79.2 | Confident | 75 Ų | 75 | 99.7 Ų | 99.7 | 40% | 0.401 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.8 | -35.2 | -179.8 | -54.7 | -16 | 0 | 0 | 0 | 111.2 | Q112 E119 L120 | Q112-D116 PolarHBondContact NE2-OD1 2.99Å; Q112-D116 PolarHBondContact O-N 2.93Å; D116-E119 PolarHBondContact O-N 2.89Å; D116-L120 WeakPolarHBondContact O-CB 3.36Å; D116-L120 PolarHBondContact O-N 3.48Å |
| 117 | G | 79 | Confident | 77.7 | Confident | 31 Ų | 31 | 102.8 Ų | 102.8 | 32% | 0.32 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.1 | -39.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T113 K115 E119 L120 E121 | T113-G117 WeakPolarHBondContact O-CA 3.35Å; T113-G117 PolarHBondContact O-N 3.13Å; K115-G117 VanDerWaalsContact C-N 3.29Å; K115-G117 PolarHBondContact O-N 3.43Å; G117-E119 VanDerWaalsContact C-N 3.29Å; G117-E119 PolarHBondContact O-N 3.19Å; G117-L120 PolarHBondContact O-N 3.38Å; G117-E121 WeakPolarHBondContact O-CB 3.49Å; G117-E121 PolarHBondContact O-N 2.64Å |
| 118 | E | 76.8 | Confident | 76.3 | Confident | 115 Ų | 115 | 105.7 Ų | 105.7 | 54% | 0.537 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.6 | -35.2 | 173.6 | -162.4 | -165.4 | 142.4 | 0 | 0 | 111.6 | A114 K115 K122 | A114-E118 PolarHBondContact O-N 3.44Å; A114-E118 VanDerWaalsContact O-N 3.07Å; K115-E118 PolarHBondContact O-N 3.02Å; E118-K122 WeakPolarHBondContact O-CD 3.44Å; E118-K122 VanDerWaalsContact O-CG 3.3Å; E118-K122 WeakPolarHBondContact O-CG 3.5Å; E118-K122 PolarHBondContact O-N 2.67Å; E118-K122 IonicContact OE1-NZ 3.98Å; E118-K122 PolarHBondContact OE1-NZ 2.99Å |
| 119 | E | 73.9 | Confident | 75.2 | Confident | 132 Ų | 132 | 106.6 Ų | 106.6 | 62% | 0.617 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.1 | -42.4 | 172.6 | -74.4 | -169.1 | 160.1 | 0 | 0 | 112.3 | K115 D116 G117 K122 L123 | K115-E119 PolarHBondContact O-N 2.58Å; D116-E119 PolarHBondContact O-N 2.89Å; G117-E119 VanDerWaalsContact C-N 3.29Å; G117-E119 PolarHBondContact O-N 3.19Å; E119-K122 PolarHBondContact O-N 3.3Å; E119-L123 WeakPolarHBondContact O-CG 3.23Å; E119-L123 PolarHBondContact O-N 3.43Å |
| 120 | L | 72.4 | Confident | 74.1 | Confident | 104 Ų | 104 | 110.8 Ų | 110.8 | 55% | 0.545 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.2 | -39.2 | -179.7 | -172.6 | 67.5 | 0 | 0 | 0 | 112.3 | D116 G117 K122 L123 V124 | D116-L120 WeakPolarHBondContact O-CB 3.36Å; D116-L120 PolarHBondContact O-N 3.48Å; G117-L120 PolarHBondContact O-N 3.38Å; L120-K122 VanDerWaalsContact C-N 3.29Å; L120-K122 PolarHBondContact O-N 2.97Å; L120-L123 CarbonylContact O-C 3.55Å; L120-L123 WeakPolarHBondContact O-CA 3.46Å; L120-L123 WeakPolarHBondContact O-CB 3.46Å; L120-L123 PolarHBondContact O-N 2.89Å; L120-V124 HydrophobicContact CD1-CG2 3.74Å; L120-V124 HydrophobicContact CG-CG2 3.84Å; L120-V124 WeakPolarHBondContact O-CB 3.35Å; L120-V124 VanDerWaalsContact O-CG2 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.43Å; L120-V124 PolarHBondContact O-N 3.15Å |
| 121 | E | 70 | Confident | 73.4 | Confident | 140 Ų | 140 | 107.7 Ų | 107.7 | 65% | 0.654 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.2 | -38.7 | 177.2 | -170.6 | 172 | -179 | 0 | 0 | 111.3 | G117 L123 V124 M125 | G117-E121 WeakPolarHBondContact O-CB 3.49Å; G117-E121 PolarHBondContact O-N 2.64Å; E121-L123 PolarHBondContact O-N 3.34Å; E121-V124 PolarHBondContact O-N 2.88Å; E121-M125 PolarHBondContact O-N 3.25Å |
| 122 | K | 68.7 | Low | 73 | Confident | 142 Ų | 142 | 111.8 Ų | 111.8 | 62% | 0.617 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -62.4 | -28.6 | 171.9 | -71.6 | 170.2 | -171 | 163.6 | 0 | 113 | E118 E119 L120 | E118-K122 WeakPolarHBondContact O-CD 3.44Å; E118-K122 VanDerWaalsContact O-CG 3.3Å; E118-K122 WeakPolarHBondContact O-CG 3.5Å; E118-K122 PolarHBondContact O-N 2.67Å; E118-K122 IonicContact OE1-NZ 3.98Å; E118-K122 PolarHBondContact OE1-NZ 2.99Å; E119-K122 PolarHBondContact O-N 3.3Å; L120-K122 VanDerWaalsContact C-N 3.29Å; L120-K122 PolarHBondContact O-N 2.97Å |
| 123 | L | 69.6 | Low | 72.5 | Confident | 143 Ų | 143 | 114 Ų | 114 | 75% | 0.749 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -88.7 | -28.2 | 179 | -67.7 | 169.2 | 0 | 0 | 0 | 113.4 | E119 L120 E121 | E119-L123 WeakPolarHBondContact O-CG 3.23Å; E119-L123 PolarHBondContact O-N 3.43Å; L120-L123 CarbonylContact O-C 3.55Å; L120-L123 WeakPolarHBondContact O-CA 3.46Å; L120-L123 WeakPolarHBondContact O-CB 3.46Å; L120-L123 PolarHBondContact O-N 2.89Å; E121-L123 PolarHBondContact O-N 3.34Å |
| 124 | V | 64.7 | Low | 72.1 | Confident | 91 Ų | 91 | 115.8 Ų | 115.8 | 55% | 0.552 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -97 | -4.7 | -169.1 | 173.6 | 0 | 0 | 0 | 0 | 113.6 | L120 E121 G126 | L120-V124 HydrophobicContact CD1-CG2 3.74Å; L120-V124 HydrophobicContact CG-CG2 3.84Å; L120-V124 WeakPolarHBondContact O-CB 3.35Å; L120-V124 VanDerWaalsContact O-CG2 3.25Å; L120-V124 WeakPolarHBondContact O-CG2 3.43Å; L120-V124 PolarHBondContact O-N 3.15Å; E121-V124 PolarHBondContact O-N 2.88Å; V124-G126 PolarHBondContact O-N 3.03Å |
| 125 | M | 57.9 | Low | 72 | Confident | 172 Ų | 172 | 117.5 Ų | 117.5 | 85% | 0.847 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | 11.7 | 174 | -87 | -166.1 | 73.4 | 0 | 0 | 116.1 | E121 | E121-M125 PolarHBondContact O-N 3.25Š|
| 126 | G | 54.1 | Low | 72.2 | Confident | 71 Ų | 71 | 115.9 Ų | 115.9 | 73% | 0.732 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -12.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 118 | V124 | V124-G126 PolarHBondContact O-N 3.03Š|
| 127 | S | 61.4 | Low | 72.2 | Confident | 109 Ų | 109 | 116.4 Ų | 116.4 | 76% | 0.762 | 60% | 0.596 | S | S | * | * | trans | -159.8 | 106.7 | 178.6 | 91.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 128 | Q | 62.3 | Low | 72.6 | Confident | 170 Ų | 170 | 118.5 Ų | 118.5 | 79% | 0.794 | 60% | 0.6 | S | S | * | * | trans | -136.7 | 91 | 163.8 | -140 | 179.8 | 9.8 | 0 | 0 | 109 | ||||
| 129 | D | 67.7 | Low | 73.3 | Confident | 117 Ų | 117 | 120.1 Ų | 120.1 | 63% | 0.626 | 61% | 0.607 | S | S | * | * | trans | -94.4 | 110.4 | -175.3 | -151.9 | -14 | 0 | 0 | 0 | 110 | A131 Y132 | D129-A131 PolarHBondContact O-N 3.05Å; D129-Y132 PolarHBondContact O-N 2.91Å | ||
| 130 | M | 68.2 | Low | 74 | Confident | 142 Ų | 142 | 115 Ų | 115 | 70% | 0.7 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.8 | -22 | -178.4 | -72.9 | -68.1 | 171.9 | 0 | 0 | 112.4 | Y132 W133 H134 | M130-Y132 VanDerWaalsContact C-N 3.32Å; M130-Y132 PolarHBondContact O-N 2.81Å; M130-W133 PolarHBondContact O-N 3.25Å; M130-H134 PolarHBondContact O-N 2.97Å |
| 131 | A | 74.9 | Confident | 75 | Confident | 63 Ų | 63 | 112.8 Ų | 112.8 | 52% | 0.521 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.3 | -34.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | D129 N135 | D129-A131 PolarHBondContact O-N 3.05Å; A131-N135 PolarHBondContact O-N 2.97Å |
| 132 | Y | 80.8 | Confident | 75.9 | Confident | 158 Ų | 158 | 111.2 Ų | 111.2 | 62% | 0.62 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.1 | -49 | 178.5 | 173.8 | -97.4 | 0 | 0 | 0 | 111.9 | D129 M130 H134 N135 W136 | D129-Y132 PolarHBondContact O-N 2.91Å; M130-Y132 VanDerWaalsContact C-N 3.32Å; M130-Y132 PolarHBondContact O-N 2.81Å; Y132-H134 VanDerWaalsContact C-N 3.31Å; Y132-H134 PolarHBondContact O-N 3.36Å; Y132-N135 PolarHBondContact O-N 3.48Å; Y132-W136 WeakPolarHBondContact O-CB 3.07Å; Y132-W136 PolarHBondContact O-N 3.16Å |
| 133 | W | 78.6 | Confident | 77.1 | Confident | 143 Ų | 143 | 111.6 Ų | 111.6 | 54% | 0.542 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.3 | -37.9 | -178.7 | -76.6 | 101.1 | 0 | 0 | 0 | 112.5 | M130 W136 W137 | M130-W133 PolarHBondContact O-N 3.25Å; W133-W136 HydrophobicContact CE3-CE3 4.02Å; W133-W136 HydrophobicContact CE3-CZ3 4.29Å; W133-W136 HydrophobicContact CZ3-CE3 4.21Å; W133-W136 HydrophobicContact CZ3-CZ3 4.16Å; W133-W137 WeakPolarHBondContact O-CB 3.26Å; W133-W137 PolarHBondContact O-N 3.38Å |
| 134 | H | 78.9 | Confident | 78.1 | Confident | 128 Ų | 128 | 109.1 Ų | 109.1 | 59% | 0.593 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.1 | -41.7 | 178.3 | -168 | -94.6 | 0 | 0 | 0 | 112.1 | M130 Y132 W137 N138 | M130-H134 PolarHBondContact O-N 2.97Å; Y132-H134 VanDerWaalsContact C-N 3.31Å; Y132-H134 PolarHBondContact O-N 3.36Å; H134-W137 PolarHBondContact O-N 2.91Å; H134-N138 PolarHBondContact CE1-ND2 2.95Å; H134-N138 VanDerWaalsContact CE1-ND2 3.29Å; H134-N138 PolarHBondContact ND1-ND2 3.42Å; H134-N138 PolarHBondContact O-N 3.34Å; H134-N138 PolarHBondContact O-ND2 3.4Å; H134-N138 VanDerWaalsContact O-ND2 3.13Å |
| 135 | N | 84.8 | Confident | 79.3 | Confident | 98 Ų | 98 | 108.3 Ų | 108.3 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.2 | -43.4 | 177.7 | -162.5 | 6.6 | 0 | 0 | 0 | 111.6 | A131 Y132 W137 N138 Q139 | A131-N135 PolarHBondContact O-N 2.97Å; Y132-N135 PolarHBondContact O-N 3.48Å; N135-W137 PolarHBondContact O-N 2.81Å; N135-N138 PolarHBondContact O-N 3.2Å; N135-Q139 PolarHBondContact O-N 2.9Å |
| 136 | W | 87.4 | Confident | 80.9 | Confident | 89 Ų | 89 | 106.2 Ų | 106.2 | 34% | 0.337 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.2 | -45.1 | 174 | 175.6 | 82.5 | 0 | 0 | 0 | 112.4 | Y132 W133 N138 Q139 L140 L148 | Y132-W136 WeakPolarHBondContact O-CB 3.07Å; Y132-W136 PolarHBondContact O-N 3.16Å; W133-W136 HydrophobicContact CE3-CE3 4.02Å; W133-W136 HydrophobicContact CE3-CZ3 4.29Å; W133-W136 HydrophobicContact CZ3-CE3 4.21Å; W133-W136 HydrophobicContact CZ3-CZ3 4.16Å; W136-N138 PolarHBondContact O-N 2.94Å; W136-Q139 PolarHBondContact O-N 3.44Å; W136-Q139 VanDerWaalsContact O-N 3.14Å; W136-L140 HydrophobicContact CE3-CD1 4.3Å; W136-L140 HydrophobicContact CH2-CD1 3.9Å; W136-L140 HydrophobicContact CZ2-CD1 4.24Å; W136-L140 HydrophobicContact CZ2-CD2 4.37Å; W136-L140 HydrophobicContact CZ3-CD1 3.94Å; W136-L148 HydrophobicContact CH2-CD1 3.85Å; W136-L148 HydrophobicContact CH2-CD2 4.47Å; W136-L148 HydrophobicContact CZ3-CD1 4.44Å |
| 137 | W | 85 | Confident | 82.7 | Confident | 86 Ų | 86 | 107 Ų | 107 | 33% | 0.326 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.4 | -37.2 | 178.2 | -173.4 | -97.2 | 0 | 0 | 0 | 112.4 | W133 H134 N135 Q139 L140 R145 L148 L149 | W133-W137 WeakPolarHBondContact O-CB 3.26Å; W133-W137 PolarHBondContact O-N 3.38Å; H134-W137 PolarHBondContact O-N 2.91Å; N135-W137 PolarHBondContact O-N 2.81Å; W137-Q139 VanDerWaalsContact C-N 3.3Å; W137-Q139 PolarHBondContact O-N 3.32Å; W137-L140 HydrophobicContact CE3-CD1 4.15Å; W137-L140 PolarHBondContact O-N 3.25Å; W137-R145 HydrophobicContact CZ2-CB 4.2Å; W137-R145 HydrophobicContact CZ2-CG 4.31Å; W137-R145 PolarHBondContact O-NE 3.29Å; W137-R145 PolarHBondContact O-NH2 3.46Å; W137-L148 HydrophobicContact CH2-CB 4.22Å; W137-L148 HydrophobicContact CZ3-CB 4.17Å; W137-L148 HydrophobicContact CZ3-CD1 4.17Å; W137-L149 HydrophobicContact CH2-CD2 4.1Å; W137-L149 HydrophobicContact CH2-CG 4.19Å; W137-L149 HydrophobicContact CZ2-CD2 4.3Å; W137-L149 HydrophobicContact CZ2-CG 4.36Å |
| 138 | N | 86.5 | Confident | 84.1 | Confident | 75 Ų | 75 | 104.8 Ų | 104.8 | 40% | 0.401 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -74.2 | -16.9 | -179 | -72.8 | -32.1 | 0 | 0 | 0 | 114.1 | H134 N135 W136 R145 | H134-N138 PolarHBondContact CE1-ND2 2.95Å; H134-N138 VanDerWaalsContact CE1-ND2 3.29Å; H134-N138 PolarHBondContact ND1-ND2 3.42Å; H134-N138 PolarHBondContact O-N 3.34Å; H134-N138 PolarHBondContact O-ND2 3.4Å; H134-N138 VanDerWaalsContact O-ND2 3.13Å; N135-N138 PolarHBondContact O-N 3.2Å; W136-N138 PolarHBondContact O-N 2.94Å; N138-R145 VanDerWaalsContact C-NH2 3.3Å; N138-R145 VanDerWaalsContact CA-NH2 3.35Å; N138-R145 PolarHBondContact O-NH2 2.92Å |
| 139 | Q | 90.8 | Very high | 85.4 | Confident | 149 Ų | 149 | 100.6 Ų | 100.6 | 70% | 0.696 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -81.9 | -14 | 175 | -67.3 | 179.6 | 5.2 | 0 | 0 | 113.4 | N135 W136 W137 | N135-Q139 PolarHBondContact O-N 2.9Å; W136-Q139 PolarHBondContact O-N 3.44Å; W136-Q139 VanDerWaalsContact O-N 3.14Å; W137-Q139 VanDerWaalsContact C-N 3.3Å; W137-Q139 PolarHBondContact O-N 3.32Å |
| 140 | L | 89.5 | Confident | 86.6 | Confident | 26 Ų | 26 | 99.7 Ų | 99.7 | 14% | 0.136 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -77 | 143.3 | -179 | -63.9 | 167.4 | 0 | 0 | 0 | 112 | W136 W137 Q144 R145 L148 | W136-L140 HydrophobicContact CE3-CD1 4.3Å; W136-L140 HydrophobicContact CH2-CD1 3.9Å; W136-L140 HydrophobicContact CZ2-CD1 4.24Å; W136-L140 HydrophobicContact CZ2-CD2 4.37Å; W136-L140 HydrophobicContact CZ3-CD1 3.94Å; W137-L140 HydrophobicContact CE3-CD1 4.15Å; W137-L140 PolarHBondContact O-N 3.25Å; L140-Q144 HydrophobicContact CB-CB 4.08Å; L140-Q144 HydrophobicContact CD2-CB 4.11Å; L140-R145 HydrophobicContact CB-CG 3.73Å; L140-R145 HydrophobicContact CD1-CG 4.33Å; L140-R145 PolarHBondContact O-NE 3.4Å; L140-R145 PolarHBondContact O-NH2 3.25Å; L140-R145 VanDerWaalsContact O-NH2 3.1Å; L140-L148 HydrophobicContact CD1-CD1 3.38Å; L140-L148 HydrophobicContact CD2-CD1 4.48Å |
| 141 | S | 93.1 | Very high | 87.7 | Confident | 56 Ų | 56 | 96.8 Ų | 96.8 | 39% | 0.392 | 48% | 0.477 | S | S | . | . | trans | -65.9 | 160.2 | 171.3 | 75.8 | 0 | 0 | 0 | 0 | 111.8 | F143 Q144 R145 | S141-F143 PolarHBondContact O-N 3.03Å; S141-Q144 PolarHBondContact O-N 3.4Å; S141-Q144 VanDerWaalsContact O-N 3.1Å; S141-Q144 WeakPolarHBondContact OG-CG 3.23Å; S141-Q144 PolarHBondContact OG-N 3.24Å; S141-Q144 PolarHBondContact OG-OE1 3.27Å; S141-R145 WeakPolarHBondContact O-CG 3.3Å; S141-R145 PolarHBondContact O-N 3.48Å | ||
| 142 | S | 89.5 | Confident | 88.5 | Confident | 107 Ų | 107 | 96.3 Ų | 96.3 | 75% | 0.748 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -56.2 | -40.3 | 178 | 54.9 | 0 | 0 | 0 | 0 | 112.4 | Q146 | S142-Q146 WeakPolarHBondContact O-CB 3.44Å; S142-Q146 PolarHBondContact O-N 3.34Å |
| 143 | F | 92.6 | Very high | 89 | Confident | 150 Ų | 150 | 95.3 Ų | 95.3 | 66% | 0.658 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -64 | -44.6 | 175 | 179 | -102.4 | 0 | 0 | 0 | 112.5 | S141 R145 Q146 L147 | S141-F143 PolarHBondContact O-N 3.03Å; F143-R145 PolarHBondContact O-N 3.43Å; F143-Q146 PolarHBondContact O-N 2.86Å; F143-L147 WeakPolarHBondContact O-CB 3.44Å; F143-L147 PolarHBondContact O-N 2.99Å |
| 144 | Q | 90.6 | Very high | 89.7 | Confident | 91 Ų | 91 | 92.6 Ų | 92.6 | 43% | 0.425 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 178.6 | -75.4 | 171.3 | -27.3 | 0 | 0 | 112.1 | L140 S141 L147 L148 | L140-Q144 HydrophobicContact CB-CB 4.08Å; L140-Q144 HydrophobicContact CD2-CB 4.11Å; S141-Q144 PolarHBondContact O-N 3.4Å; S141-Q144 VanDerWaalsContact O-N 3.1Å; S141-Q144 WeakPolarHBondContact OG-CG 3.23Å; S141-Q144 PolarHBondContact OG-N 3.24Å; S141-Q144 PolarHBondContact OG-OE1 3.27Å; Q144-L147 PolarHBondContact O-N 3.05Å; Q144-L148 PolarHBondContact O-N 3.42Å |
| 145 | R | 90.8 | Very high | 90.3 | Very high | 75 Ų | 75 | 89.4 Ų | 89.4 | 28% | 0.283 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.2 | -64.2 | -179.7 | -158.5 | -164.5 | 4.1 | 111.4 | W137 N138 L140 S141 F143 L147 L148 L149 | W137-R145 HydrophobicContact CZ2-CB 4.2Å; W137-R145 HydrophobicContact CZ2-CG 4.31Å; W137-R145 PolarHBondContact O-NE 3.29Å; W137-R145 PolarHBondContact O-NH2 3.46Å; N138-R145 VanDerWaalsContact C-NH2 3.3Å; N138-R145 VanDerWaalsContact CA-NH2 3.35Å; N138-R145 PolarHBondContact O-NH2 2.92Å; L140-R145 HydrophobicContact CB-CG 3.73Å; L140-R145 HydrophobicContact CD1-CG 4.33Å; L140-R145 PolarHBondContact O-NE 3.4Å; L140-R145 PolarHBondContact O-NH2 3.25Å; L140-R145 VanDerWaalsContact O-NH2 3.1Å; S141-R145 WeakPolarHBondContact O-CG 3.3Å; S141-R145 PolarHBondContact O-N 3.48Å; F143-R145 PolarHBondContact O-N 3.43Å; R145-L147 VanDerWaalsContact C-N 3.3Å; R145-L147 PolarHBondContact O-N 3.41Å; R145-L148 PolarHBondContact O-N 2.92Å; R145-L149 WeakPolarHBondContact O-CG 3.35Å; R145-L149 PolarHBondContact O-N 3.42Å |
| 146 | Q | 91.6 | Very high | 90.6 | Very high | 127 Ų | 127 | 89.5 Ų | 89.5 | 59% | 0.593 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -61.7 | -40.1 | 177.6 | -168.9 | 65.1 | 21.9 | 0 | 0 | 111.9 | S142 F143 L150 | S142-Q146 WeakPolarHBondContact O-CB 3.44Å; S142-Q146 PolarHBondContact O-N 3.34Å; F143-Q146 PolarHBondContact O-N 2.86Å; Q146-L150 WeakPolarHBondContact O-CB 3.48Å; Q146-L150 PolarHBondContact O-N 2.92Å |
| 147 | L | 92.1 | Very high | 90.9 | Very high | 89 Ų | 89 | 91 Ų | 91 | 47% | 0.466 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 175.5 | -178.2 | 63 | 0 | 0 | 0 | 111.6 | F143 Q144 R145 L150 V151 | F143-L147 WeakPolarHBondContact O-CB 3.44Å; F143-L147 PolarHBondContact O-N 2.99Å; Q144-L147 PolarHBondContact O-N 3.05Å; R145-L147 VanDerWaalsContact C-N 3.3Å; R145-L147 PolarHBondContact O-N 3.41Å; L147-L150 PolarHBondContact O-N 2.92Å; L147-V151 HydrophobicContact CD1-CG2 4.48Å; L147-V151 VanDerWaalsContact O-CG2 3.3Å; L147-V151 WeakPolarHBondContact O-CG2 3.1Å; L147-V151 PolarHBondContact O-N 3.49Å |
| 148 | L | 90.3 | Very high | 91.3 | Very high | 62 Ų | 62 | 91.9 Ų | 91.9 | 33% | 0.325 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 176.5 | -83.3 | 158.7 | 0 | 0 | 0 | 112.4 | W136 W137 L140 Q144 R145 L150 V151 S152 | W136-L148 HydrophobicContact CH2-CD1 3.85Å; W136-L148 HydrophobicContact CH2-CD2 4.47Å; W136-L148 HydrophobicContact CZ3-CD1 4.44Å; W137-L148 HydrophobicContact CH2-CB 4.22Å; W137-L148 HydrophobicContact CZ3-CB 4.17Å; W137-L148 HydrophobicContact CZ3-CD1 4.17Å; L140-L148 HydrophobicContact CD1-CD1 3.38Å; L140-L148 HydrophobicContact CD2-CD1 4.48Å; Q144-L148 PolarHBondContact O-N 3.42Å; R145-L148 PolarHBondContact O-N 2.92Å; L148-L150 VanDerWaalsContact C-N 3.32Å; L148-L150 PolarHBondContact O-N 3.41Å; L148-V151 PolarHBondContact O-N 3.35Å; L148-S152 WeakPolarHBondContact O-CB 3.49Å; L148-S152 PolarHBondContact O-N 3.38Å |
| 149 | L | 90.2 | Very high | 91.5 | Very high | 82 Ų | 82 | 96 Ų | 96 | 43% | 0.429 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 174.6 | -70.8 | 173.7 | 0 | 0 | 0 | 112 | W137 R145 S152 M153 | W137-L149 HydrophobicContact CH2-CD2 4.1Å; W137-L149 HydrophobicContact CH2-CG 4.19Å; W137-L149 HydrophobicContact CZ2-CD2 4.3Å; W137-L149 HydrophobicContact CZ2-CG 4.36Å; R145-L149 WeakPolarHBondContact O-CG 3.35Å; R145-L149 PolarHBondContact O-N 3.42Å; L149-S152 PolarHBondContact O-N 2.92Å; L149-S152 PolarHBondContact O-OG 3.4Å; L149-M153 WeakPolarHBondContact O-CB 3.48Å; L149-M153 PolarHBondContact O-N 2.98Å |
| 150 | L | 92.2 | Very high | 91.7 | Very high | 98 Ų | 98 | 93.1 Ų | 93.1 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.2 | -45.5 | 175.1 | -170.1 | 155.4 | 0 | 0 | 0 | 110.8 | Q146 L147 L148 S152 M153 V154 | Q146-L150 WeakPolarHBondContact O-CB 3.48Å; Q146-L150 PolarHBondContact O-N 2.92Å; L147-L150 PolarHBondContact O-N 2.92Å; L148-L150 VanDerWaalsContact C-N 3.32Å; L148-L150 PolarHBondContact O-N 3.41Å; L150-S152 VanDerWaalsContact C-N 3.32Å; L150-S152 PolarHBondContact O-N 2.84Å; L150-M153 PolarHBondContact O-N 3.19Å; L150-V154 HydrophobicContact CD2-CG2 4.06Å; L150-V154 WeakPolarHBondContact O-CG2 3.46Å; L150-V154 PolarHBondContact O-N 2.81Å |
| 151 | V | 91.7 | Very high | 91.9 | Very high | 81 Ų | 81 | 92.5 Ų | 92.5 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | L147 L148 V154 D155 | L147-V151 HydrophobicContact CD1-CG2 4.48Å; L147-V151 VanDerWaalsContact O-CG2 3.3Å; L147-V151 WeakPolarHBondContact O-CG2 3.1Å; L147-V151 PolarHBondContact O-N 3.49Å; L148-V151 PolarHBondContact O-N 3.35Å; V151-V154 PolarHBondContact O-N 3.19Å; V151-D155 WeakPolarHBondContact O-CB 3.39Å; V151-D155 PolarHBondContact O-N 2.8Å |
| 152 | S | 90.9 | Very high | 92.1 | Very high | 52 Ų | 52 | 92.7 Ų | 92.7 | 36% | 0.364 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 176.9 | 95.8 | 0 | 0 | 0 | 0 | 111.4 | L148 L149 L150 V154 D155 D156 | L148-S152 WeakPolarHBondContact O-CB 3.49Å; L148-S152 PolarHBondContact O-N 3.38Å; L149-S152 PolarHBondContact O-N 2.92Å; L149-S152 PolarHBondContact O-OG 3.4Å; L150-S152 VanDerWaalsContact C-N 3.32Å; L150-S152 PolarHBondContact O-N 2.84Å; S152-V154 VanDerWaalsContact C-N 3.28Å; S152-V154 PolarHBondContact O-N 3.34Å; S152-D155 CarbonylContact O-C 3.6Å; S152-D155 PolarHBondContact O-N 2.96Å; S152-D155 VanDerWaalsContact O-N 3.1Å; S152-D156 WeakPolarHBondContact O-CB 3.45Å; S152-D156 VanDerWaalsContact O-CG 3.31Å; S152-D156 PolarHBondContact O-N 3.22Å |
| 153 | M | 92.9 | Very high | 92.3 | Very high | 138 Ų | 138 | 91.4 Ų | 91.4 | 68% | 0.68 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -59.8 | -40 | 175.8 | -177.6 | -175.4 | -67.9 | 0 | 0 | 111.7 | L149 L150 F157 | L149-M153 WeakPolarHBondContact O-CB 3.48Å; L149-M153 PolarHBondContact O-N 2.98Å; L150-M153 PolarHBondContact O-N 3.19Å; M153-F157 VanDerWaalsContact O-CB 3.32Å; M153-F157 WeakPolarHBondContact O-CB 3.22Å; M153-F157 PolarHBondContact O-N 2.86Å |
| 154 | V | 91.4 | Very high | 92.4 | Very high | 85 Ų | 85 | 84.3 Ų | 84.3 | 52% | 0.515 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 174.8 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | L150 V151 S152 F157 W158 | L150-V154 HydrophobicContact CD2-CG2 4.06Å; L150-V154 WeakPolarHBondContact O-CG2 3.46Å; L150-V154 PolarHBondContact O-N 2.81Å; V151-V154 PolarHBondContact O-N 3.19Å; S152-V154 VanDerWaalsContact C-N 3.28Å; S152-V154 PolarHBondContact O-N 3.34Å; V154-F157 PolarHBondContact O-N 3.45Å; V154-W158 VanDerWaalsContact O-CB 3.25Å; V154-W158 WeakPolarHBondContact O-CB 3.38Å; V154-W158 PolarHBondContact O-N 2.86Å |
| 155 | D | 91.6 | Very high | 92.7 | Very high | 61 Ų | 61 | 81.9 Ų | 81.9 | 33% | 0.326 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 176.8 | -168.2 | 48.3 | 0 | 0 | 0 | 111.4 | V151 S152 F157 W158 R159 | V151-D155 WeakPolarHBondContact O-CB 3.39Å; V151-D155 PolarHBondContact O-N 2.8Å; S152-D155 CarbonylContact O-C 3.6Å; S152-D155 PolarHBondContact O-N 2.96Å; S152-D155 VanDerWaalsContact O-N 3.1Å; D155-F157 PolarHBondContact O-N 2.85Å; D155-W158 WeakPolarHBondContact O-CB 3.23Å; D155-W158 PolarHBondContact O-N 3.27Å; D155-R159 VanDerWaalsContact CG-NE 3.33Å; D155-R159 WeakPolarHBondContact O-CB 3.31Å; D155-R159 VanDerWaalsContact O-CG 3.24Å; D155-R159 WeakPolarHBondContact O-CG 3.1Å; D155-R159 PolarHBondContact O-N 2.98Å; D155-R159 IonicContact OD1-CZ 3.77Å; D155-R159 IonicContact OD1-NE 3.51Å; D155-R159 PolarHBondContact OD1-NE 3.13Å; D155-R159 IonicContact OD1-NH2 3.95Å; D155-R159 IonicContact OD2-CZ 2.94Å; D155-R159 VanDerWaalsContact OD2-CZ 3.26Å; D155-R159 IonicContact OD2-NE 2.84Å; D155-R159 PolarHBondContact OD2-NE 2.94Å; D155-R159 IonicContact OD2-NH2 2.73Å; D155-R159 PolarHBondContact OD2-NH2 2.89Å |
| 156 | D | 92.1 | Very high | 93 | Very high | 100 Ų | 100 | 82.5 Ų | 82.5 | 54% | 0.535 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 176.1 | -71.1 | -27.6 | 0 | 0 | 0 | 111.4 | S152 R159 S160 | S152-D156 WeakPolarHBondContact O-CB 3.45Å; S152-D156 VanDerWaalsContact O-CG 3.31Å; S152-D156 PolarHBondContact O-N 3.22Å; D156-R159 PolarHBondContact O-N 3.32Å; D156-S160 PolarHBondContact O-N 2.73Å |
| 157 | F | 93.1 | Very high | 93.2 | Very high | 120 Ų | 120 | 77.9 Ų | 77.9 | 53% | 0.526 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.4 | -49 | 173.7 | 173.5 | -101.9 | 0 | 0 | 0 | 111 | M153 V154 D155 R159 S160 L161 | M153-F157 VanDerWaalsContact O-CB 3.32Å; M153-F157 WeakPolarHBondContact O-CB 3.22Å; M153-F157 PolarHBondContact O-N 2.86Å; V154-F157 PolarHBondContact O-N 3.45Å; D155-F157 PolarHBondContact O-N 2.85Å; F157-R159 VanDerWaalsContact C-N 3.29Å; F157-R159 PolarHBondContact O-N 3.33Å; F157-S160 WeakPolarHBondContact O-CB 3.27Å; F157-S160 PolarHBondContact O-N 2.81Å; F157-S160 VanDerWaalsContact O-N 3.09Å; F157-S160 PolarHBondContact O-OG 3.45Å; F157-L161 HydrophobicContact CE1-CD1 4Å; F157-L161 HydrophobicContact CE1-CD2 4.29Å; F157-L161 HydrophobicContact CE1-CG 4.33Å; F157-L161 HydrophobicContact CE2-CD2 4.18Å; F157-L161 HydrophobicContact CZ-CD1 4.38Å; F157-L161 HydrophobicContact CZ-CD2 3.88Å; F157-L161 HydrophobicContact CZ-CG 4.4Å; F157-L161 PolarHBondContact O-N 2.68Å |
| 158 | W | 92.9 | Very high | 93.5 | Very high | 106 Ų | 106 | 73.6 Ų | 73.6 | 40% | 0.402 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 178.9 | -178.1 | -102.8 | 0 | 0 | 0 | 112.1 | V154 D155 S160 L161 R166 T169 | V154-W158 VanDerWaalsContact O-CB 3.25Å; V154-W158 WeakPolarHBondContact O-CB 3.38Å; V154-W158 PolarHBondContact O-N 2.86Å; D155-W158 WeakPolarHBondContact O-CB 3.23Å; D155-W158 PolarHBondContact O-N 3.27Å; W158-S160 VanDerWaalsContact C-N 3.34Å; W158-L161 HydrophobicContact CE3-CD1 4.13Å; W158-L161 WeakPolarHBondContact O-CB 3.28Å; W158-L161 PolarHBondContact O-N 2.93Å; W158-R166 HydrophobicContact CD2-CG 4.32Å; W158-R166 HydrophobicContact CH2-CB 4.02Å; W158-R166 HydrophobicContact CH2-CG 4.3Å; W158-R166 HydrophobicContact CZ2-CB 3.9Å; W158-R166 HydrophobicContact CZ2-CG 3.99Å; W158-R166 PolarHBondContact O-NE 2.93Å; W158-R166 PolarHBondContact O-NH2 3.49Å; W158-T169 HydrophobicContact CZ3-CG2 3.86Å |
| 159 | R | 92.4 | Very high | 93.8 | Very high | 161 Ų | 161 | 72.6 Ų | 72.6 | 61% | 0.608 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.8 | -32.8 | 175.5 | -73 | 176.6 | -168 | -102.6 | 1.2 | 112.6 | D155 D156 F157 L161 R166 | D155-R159 VanDerWaalsContact CG-NE 3.33Å; D155-R159 WeakPolarHBondContact O-CB 3.31Å; D155-R159 VanDerWaalsContact O-CG 3.24Å; D155-R159 WeakPolarHBondContact O-CG 3.1Å; D155-R159 PolarHBondContact O-N 2.98Å; D155-R159 IonicContact OD1-CZ 3.77Å; D155-R159 IonicContact OD1-NE 3.51Å; D155-R159 PolarHBondContact OD1-NE 3.13Å; D155-R159 IonicContact OD1-NH2 3.95Å; D155-R159 IonicContact OD2-CZ 2.94Å; D155-R159 VanDerWaalsContact OD2-CZ 3.26Å; D155-R159 IonicContact OD2-NE 2.84Å; D155-R159 PolarHBondContact OD2-NE 2.94Å; D155-R159 IonicContact OD2-NH2 2.73Å; D155-R159 PolarHBondContact OD2-NH2 2.89Å; D156-R159 PolarHBondContact O-N 3.32Å; F157-R159 VanDerWaalsContact C-N 3.29Å; F157-R159 PolarHBondContact O-N 3.33Å; R159-L161 VanDerWaalsContact C-N 3.26Å; R159-L161 PolarHBondContact O-N 2.79Å; R159-R166 PolarHBondContact O-NH2 3.41Å |
| 160 | S | 93.9 | Very high | 94.1 | Very high | 88 Ų | 88 | 70.7 Ų | 70.7 | 62% | 0.615 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -68 | -23.8 | 175.5 | 80.3 | 0 | 0 | 0 | 0 | 113.7 | D156 F157 W158 | D156-S160 PolarHBondContact O-N 2.73Å; F157-S160 WeakPolarHBondContact O-CB 3.27Å; F157-S160 PolarHBondContact O-N 2.81Å; F157-S160 VanDerWaalsContact O-N 3.09Å; F157-S160 PolarHBondContact O-OG 3.45Å; W158-S160 VanDerWaalsContact C-N 3.34Å |
| 161 | L | 94.2 | Very high | 94.4 | Very high | 13 Ų | 13 | 66.4 Ų | 66.4 | 7% | 0.068 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -69.7 | 141.2 | -179.2 | -62.3 | -178 | 0 | 0 | 0 | 112.2 | F157 W158 R159 Q165 R166 W229 | F157-L161 HydrophobicContact CE1-CD1 4Å; F157-L161 HydrophobicContact CE1-CD2 4.29Å; F157-L161 HydrophobicContact CE1-CG 4.33Å; F157-L161 HydrophobicContact CE2-CD2 4.18Å; F157-L161 HydrophobicContact CZ-CD1 4.38Å; F157-L161 HydrophobicContact CZ-CD2 3.88Å; F157-L161 HydrophobicContact CZ-CG 4.4Å; F157-L161 PolarHBondContact O-N 2.68Å; W158-L161 HydrophobicContact CE3-CD1 4.13Å; W158-L161 WeakPolarHBondContact O-CB 3.28Å; W158-L161 PolarHBondContact O-N 2.93Å; R159-L161 VanDerWaalsContact C-N 3.26Å; R159-L161 PolarHBondContact O-N 2.79Å; L161-Q165 HydrophobicContact CB-CB 4.07Å; L161-Q165 HydrophobicContact CD2-CB 4.29Å; L161-R166 HydrophobicContact CB-CG 3.74Å; L161-R166 HydrophobicContact CD1-CG 4.37Å; L161-R166 PolarHBondContact O-NE 3.5Å; L161-R166 PolarHBondContact O-NH2 3.19Å; L161-W229 HydrophobicContact CD1-CH2 3.88Å; L161-W229 HydrophobicContact CD2-CH2 3.64Å; L161-W229 HydrophobicContact CD2-CZ2 3.79Å; L161-W229 HydrophobicContact CG-CH2 4.39Å |
| 162 | T | 96.1 | Very high | 94.7 | Very high | 60 Ų | 60 | 64.7 Ų | 64.7 | 37% | 0.368 | 34% | 0.336 | S | S | . | . | trans | -62.6 | 157.2 | 169.3 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | G164 Q165 R166 S233 | T162-G164 PolarHBondContact O-N 3Å; T162-Q165 PolarHBondContact O-N 3.2Å; T162-Q165 VanDerWaalsContact O-N 3.08Å; T162-Q165 WeakPolarHBondContact OG1-CB 3.33Å; T162-Q165 WeakPolarHBondContact OG1-CG 3.2Å; T162-Q165 PolarHBondContact OG1-N 3.43Å; T162-Q165 PolarHBondContact OG1-OE1 3.45Å; T162-R166 PolarHBondContact O-N 3.42Å; T162-S233 PolarHBondContact OG1-OG 3.32Å | ||
| 163 | E | 95 | Very high | 95 | Very high | 80 Ų | 80 | 64.9 Ų | 64.9 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.7 | -33.5 | 176.9 | -171.3 | 167.6 | -147.3 | 0 | 0 | 112.1 | R110 T167 V236 K241 | R110-E163 IonicContact NH2-OE1 2.79Å; E163-T167 PolarHBondContact O-N 3.28Å; E163-T167 VanDerWaalsContact O-N 3.11Å; E163-T167 PolarHBondContact O-OG1 2.86Å; E163-V236 HydrophobicContact CB-CG1 4.32Å; E163-V236 HydrophobicContact CG-CG1 4.25Å; E163-K241 HydrophobicContact CG-CB 4.42Å; E163-K241 HydrophobicContact CG-CD 4.16Å; E163-K241 VanDerWaalsContact OE1-CD 3.29Å; E163-K241 WeakPolarHBondContact OE1-CD 3.35Å; E163-K241 WeakPolarHBondContact OE1-CE 3.31Å; E163-K241 IonicContact OE1-NZ 3.78Å; E163-K241 PolarHBondContact OE1-NZ 3.22Å |
| 164 | G | 95.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 2% | 0.021 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63 | -49.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T162 R166 T167 A168 S232 | T162-G164 PolarHBondContact O-N 3Å; G164-R166 PolarHBondContact O-N 3.14Å; G164-T167 PolarHBondContact O-N 3.42Å; G164-A168 WeakPolarHBondContact O-CB 3.49Å; G164-A168 PolarHBondContact O-N 3.13Å; G164-S232 WeakPolarHBondContact O-CB 3.48Å |
| 165 | Q | 96.6 | Very high | 95.6 | Very high | 39 Ų | 39 | 57.7 Ų | 57.7 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 179 | -76.5 | 164.8 | -37.9 | 0 | 0 | 111.9 | L161 T162 T167 A168 T169 W229 S232 | L161-Q165 HydrophobicContact CB-CB 4.07Å; L161-Q165 HydrophobicContact CD2-CB 4.29Å; T162-Q165 PolarHBondContact O-N 3.2Å; T162-Q165 VanDerWaalsContact O-N 3.08Å; T162-Q165 WeakPolarHBondContact OG1-CB 3.33Å; T162-Q165 WeakPolarHBondContact OG1-CG 3.2Å; T162-Q165 PolarHBondContact OG1-N 3.43Å; T162-Q165 PolarHBondContact OG1-OE1 3.45Å; Q165-T167 VanDerWaalsContact C-N 3.29Å; Q165-T167 PolarHBondContact O-N 3.34Å; Q165-A168 CarbonylContact O-C 3.59Å; Q165-A168 PolarHBondContact O-N 3.08Å; Q165-T169 PolarHBondContact O-N 2.91Å; Q165-T169 PolarHBondContact O-OG1 3.29Å; Q165-W229 HydrophobicContact CB-CE3 4.36Å; Q165-W229 HydrophobicContact CB-CH2 3.79Å; Q165-W229 HydrophobicContact CB-CZ2 4.04Å; Q165-W229 HydrophobicContact CB-CZ3 3.95Å; Q165-W229 HydrophobicContact CG-CD2 4.11Å; Q165-W229 HydrophobicContact CG-CE3 4.32Å; Q165-W229 HydrophobicContact CG-CH2 4.05Å; Q165-W229 HydrophobicContact CG-CZ2 3.78Å; Q165-W229 HydrophobicContact CG-CZ3 4.29Å; Q165-S232 PolarHBondContact N-OG 2.93Å |
| 166 | R | 96.3 | Very high | 95.9 | Very high | 89 Ų | 89 | 56.5 Ų | 56.5 | 34% | 0.336 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.5 | -42.3 | 175 | -66.5 | -175.2 | -165.8 | 152.9 | 11.2 | 111.9 | W158 R159 L161 T162 G164 T169 | W158-R166 HydrophobicContact CD2-CG 4.32Å; W158-R166 HydrophobicContact CH2-CB 4.02Å; W158-R166 HydrophobicContact CH2-CG 4.3Å; W158-R166 HydrophobicContact CZ2-CB 3.9Å; W158-R166 HydrophobicContact CZ2-CG 3.99Å; W158-R166 PolarHBondContact O-NE 2.93Å; W158-R166 PolarHBondContact O-NH2 3.49Å; R159-R166 PolarHBondContact O-NH2 3.41Å; L161-R166 HydrophobicContact CB-CG 3.74Å; L161-R166 HydrophobicContact CD1-CG 4.37Å; L161-R166 PolarHBondContact O-NE 3.5Å; L161-R166 PolarHBondContact O-NH2 3.19Å; T162-R166 PolarHBondContact O-N 3.42Å; G164-R166 PolarHBondContact O-N 3.14Å; R166-T169 WeakPolarHBondContact O-CB 3.36Å; R166-T169 PolarHBondContact O-N 2.75Å |
| 167 | T | 96.1 | Very high | 96.1 | Very high | 29 Ų | 29 | 54.4 Ų | 54.4 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -41.6 | 177.3 | -49.1 | 0 | 0 | 0 | 0 | 111.2 | E163 G164 Q165 T169 G170 K241 F244 | E163-T167 PolarHBondContact O-N 3.28Å; E163-T167 VanDerWaalsContact O-N 3.11Å; E163-T167 PolarHBondContact O-OG1 2.86Å; G164-T167 PolarHBondContact O-N 3.42Å; Q165-T167 VanDerWaalsContact C-N 3.29Å; Q165-T167 PolarHBondContact O-N 3.34Å; T167-T169 VanDerWaalsContact C-N 3.34Å; T167-T169 PolarHBondContact O-N 3.36Å; T167-G170 PolarHBondContact O-N 3.32Å; T167-K241 HydrophobicContact CG2-CB 4.34Å; T167-F244 HydrophobicContact CG2-CD1 3.78Å; T167-F244 HydrophobicContact CG2-CE1 3.69Å |
| 168 | A | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G164 Q165 G170 I171 I172 L228 | G164-A168 WeakPolarHBondContact O-CB 3.49Å; G164-A168 PolarHBondContact O-N 3.13Å; Q165-A168 CarbonylContact O-C 3.59Å; Q165-A168 PolarHBondContact O-N 3.08Å; A168-G170 PolarHBondContact O-N 3.38Å; A168-I171 WeakPolarHBondContact O-CB 3.31Å; A168-I171 PolarHBondContact O-N 3.48Å; A168-I172 VanDerWaalsContact O-CG1 3.24Å; A168-I172 WeakPolarHBondContact O-CG1 3.33Å; A168-I172 PolarHBondContact O-N 2.94Å; A168-L228 HydrophobicContact CB-CG 4.35Å |
| 169 | T | 96.9 | Very high | 96.5 | Very high | 41 Ų | 41 | 45 Ų | 45 | 25% | 0.252 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.1 | -39.7 | 175.2 | -54.4 | 0 | 0 | 0 | 0 | 111.7 | W158 Q165 R166 T167 I171 I172 A173 W229 | W158-T169 HydrophobicContact CZ3-CG2 3.86Å; Q165-T169 PolarHBondContact O-N 2.91Å; Q165-T169 PolarHBondContact O-OG1 3.29Å; R166-T169 WeakPolarHBondContact O-CB 3.36Å; R166-T169 PolarHBondContact O-N 2.75Å; T167-T169 VanDerWaalsContact C-N 3.34Å; T167-T169 PolarHBondContact O-N 3.36Å; T169-I171 PolarHBondContact O-N 2.98Å; T169-I172 PolarHBondContact O-N 3.08Å; T169-A173 WeakPolarHBondContact O-CB 3.37Å; T169-A173 PolarHBondContact O-N 3.29Å; T169-W229 WeakPolarHBondContact OG1-CZ3 3.31Å |
| 170 | G | 96.6 | Very high | 96.6 | Very high | 41 Ų | 41 | 41.2 Ų | 41.2 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T167 A168 A173 V174 | T167-G170 PolarHBondContact O-N 3.32Å; A168-G170 PolarHBondContact O-N 3.38Å; G170-A173 PolarHBondContact O-N 3.45Å; G170-V174 WeakPolarHBondContact O-CG2 3.14Å; G170-V174 PolarHBondContact O-N 3.5Å; G170-V174 VanDerWaalsContact O-N 3.1Å |
| 171 | I | 98 | Very high | 96.7 | Very high | 9 Ų | 9 | 38.7 Ų | 38.7 | 5% | 0.046 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.8 | -41.6 | 176.8 | -62.3 | 170.5 | 0 | 0 | 0 | 111 | A168 T169 V174 N175 F213 L228 F244 L245 Y248 | A168-I171 WeakPolarHBondContact O-CB 3.31Å; A168-I171 PolarHBondContact O-N 3.48Å; T169-I171 PolarHBondContact O-N 2.98Å; I171-V174 PolarHBondContact O-N 2.82Å; I171-N175 PolarHBondContact O-N 3.27Å; I171-N175 PolarHBondContact O-ND2 2.79Å; I171-F213 HydrophobicContact CG2-CE1 4.16Å; I171-L228 HydrophobicContact CB-CD2 4.03Å; I171-L228 HydrophobicContact CD1-CD2 4.25Å; I171-L228 HydrophobicContact CG2-CD2 3.59Å; I171-F244 HydrophobicContact CD1-CE1 3.92Å; I171-F244 HydrophobicContact CD1-CZ 3.82Å; I171-L245 HydrophobicContact CD1-CD1 4.24Å; I171-L245 HydrophobicContact CG1-CD1 4.42Å; I171-Y248 HydrophobicContact CD1-CD1 4Å; I171-Y248 HydrophobicContact CD1-CD2 4.36Å; I171-Y248 HydrophobicContact CD1-CE1 4.11Å; I171-Y248 HydrophobicContact CD1-CE2 4.46Å; I171-Y248 HydrophobicContact CD1-CG 4.13Å; I171-Y248 HydrophobicContact CG2-CE1 3.82Å; I171-Y248 HydrophobicContact CG2-CE2 4.5Å; I171-Y248 WeakPolarHBondContact CG2-OH 3.19Å |
| 172 | I | 98.3 | Very high | 96.7 | Very high | 45 Ų | 45 | 39.3 Ų | 39.3 | 23% | 0.231 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 177.6 | -66.9 | 165.9 | 0 | 0 | 0 | 110.3 | A168 T169 V174 N175 A176 M225 W229 | A168-I172 VanDerWaalsContact O-CG1 3.24Å; A168-I172 WeakPolarHBondContact O-CG1 3.33Å; A168-I172 PolarHBondContact O-N 2.94Å; T169-I172 PolarHBondContact O-N 3.08Å; I172-V174 PolarHBondContact O-N 3.46Å; I172-N175 PolarHBondContact O-N 3.23Å; I172-A176 WeakPolarHBondContact O-CB 3.32Å; I172-A176 PolarHBondContact O-N 3.47Å; I172-M225 HydrophobicContact CB-SD 4.18Å; I172-M225 HydrophobicContact CD1-CB 4.41Å; I172-M225 HydrophobicContact CG1-CB 3.99Å; I172-M225 HydrophobicContact CG1-CG 4Å; I172-M225 HydrophobicContact CG1-SD 3.58Å; I172-M225 VanDerWaalsContact CG1-SD 3.58Å; I172-M225 HydrophobicContact CG2-CG 4.36Å; I172-W229 HydrophobicContact CD1-CE3 3.84Å; I172-W229 HydrophobicContact CD1-CZ3 4.49Å |
| 173 | A | 97.8 | Very high | 96.6 | Very high | 56 Ų | 56 | 43.5 Ų | 43.5 | 46% | 0.463 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60.9 | -43.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T169 G170 A176 A177 | T169-A173 WeakPolarHBondContact O-CB 3.37Å; T169-A173 PolarHBondContact O-N 3.29Å; G170-A173 PolarHBondContact O-N 3.45Å; A173-A176 PolarHBondContact O-N 2.62Å; A173-A177 WeakPolarHBondContact O-CB 3.45Å; A173-A177 PolarHBondContact O-N 3.21Å |
| 174 | V | 98.1 | Very high | 96.7 | Very high | 71 Ų | 71 | 43.5 Ų | 43.5 | 43% | 0.43 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 174.8 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | G170 I171 I172 A176 A177 V178 F213 | G170-V174 WeakPolarHBondContact O-CG2 3.14Å; G170-V174 PolarHBondContact O-N 3.5Å; G170-V174 VanDerWaalsContact O-N 3.1Å; I171-V174 PolarHBondContact O-N 2.82Å; I172-V174 PolarHBondContact O-N 3.46Å; V174-A176 VanDerWaalsContact C-N 3.33Å; V174-A176 PolarHBondContact O-N 2.94Å; V174-A177 PolarHBondContact O-N 2.96Å; V174-V178 HydrophobicContact CG1-CG2 4.48Å; V174-V178 VanDerWaalsContact O-CG2 3.31Å; V174-V178 WeakPolarHBondContact O-CG2 3.29Å; V174-V178 PolarHBondContact O-N 3.27Å; V174-F213 HydrophobicContact CB-CD1 4.17Å; V174-F213 HydrophobicContact CB-CE1 4.49Å; V174-F213 HydrophobicContact CG1-CB 4.35Å; V174-F213 HydrophobicContact CG1-CD1 3.55Å; V174-F213 HydrophobicContact CG1-CE1 4.09Å; V174-F213 HydrophobicContact CG1-CG 4.09Å |
| 175 | N | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.9 | -40.2 | 177.2 | -85.4 | -85.9 | 0 | 0 | 0 | 112.4 | I171 I172 V178 L179 F213 H215 M221 M225 | I171-N175 PolarHBondContact O-N 3.27Å; I171-N175 PolarHBondContact O-ND2 2.79Å; I172-N175 PolarHBondContact O-N 3.23Å; N175-V178 PolarHBondContact O-N 2.8Å; N175-L179 WeakPolarHBondContact O-CB 3.43Å; N175-L179 PolarHBondContact O-N 2.84Å; N175-F213 WeakPolarHBondContact ND2-CD1 3.26Å; N175-F213 VanDerWaalsContact OD1-CA 3.24Å; N175-F213 WeakPolarHBondContact OD1-CA 3.31Å; N175-F213 PolarHBondContact OD1-O 3.46Å; N175-F213 VanDerWaalsContact OD1-O 3.13Å; N175-H215 PolarHBondContact OD1-CE1 3.2Å; N175-H215 PolarHBondContact OD1-ND1 2.97Å; N175-H215 VanDerWaalsContact OD1-ND1 3.12Å; N175-M221 HydrophobicContact CB-SD 4.43Å; N175-M225 HydrophobicContact CB-CE 4.46Å; N175-M225 HydrophobicContact CB-SD 4.09Å |
| 176 | A | 97.7 | Very high | 96.7 | Very high | 37 Ų | 37 | 51.2 Ų | 51.2 | 31% | 0.306 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I172 A173 V174 V178 L179 C180 | I172-A176 WeakPolarHBondContact O-CB 3.32Å; I172-A176 PolarHBondContact O-N 3.47Å; A173-A176 PolarHBondContact O-N 2.62Å; V174-A176 VanDerWaalsContact C-N 3.33Å; V174-A176 PolarHBondContact O-N 2.94Å; A176-V178 PolarHBondContact O-N 3.38Å; A176-L179 WeakPolarHBondContact O-CB 3.2Å; A176-L179 PolarHBondContact O-N 3.08Å; A176-C180 PolarHBondContact O-N 2.8Å; A176-C180 PolarHBondContact O-SG 3.31Å; A176-C180 VanDerWaalsContact O-SG 3.35Å |
| 177 | A | 97.3 | Very high | 96.6 | Very high | 56 Ų | 56 | 49.9 Ų | 49.9 | 46% | 0.463 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A173 V174 L179 C180 C181 | A173-A177 WeakPolarHBondContact O-CB 3.45Å; A173-A177 PolarHBondContact O-N 3.21Å; V174-A177 PolarHBondContact O-N 2.96Å; A177-L179 VanDerWaalsContact C-N 3.34Å; A177-L179 PolarHBondContact O-N 3.47Å; A177-C180 WeakPolarHBondContact O-CB 3.34Å; A177-C180 PolarHBondContact O-N 3.47Å; A177-C180 VanDerWaalsContact O-N 3.13Å; A177-C181 PolarHBondContact O-N 2.84Å; A177-C181 PolarHBondContact O-SG 2.88Å; A177-C181 VanDerWaalsContact O-SG 3.33Å |
| 178 | V | 97.6 | Very high | 96.5 | Very high | 15 Ų | 15 | 51.4 Ų | 51.4 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.9 | -38.4 | 176.3 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | V174 N175 A176 C180 C181 W182 M191 F195 F213 | V174-V178 HydrophobicContact CG1-CG2 4.48Å; V174-V178 VanDerWaalsContact O-CG2 3.31Å; V174-V178 WeakPolarHBondContact O-CG2 3.29Å; V174-V178 PolarHBondContact O-N 3.27Å; N175-V178 PolarHBondContact O-N 2.8Å; A176-V178 PolarHBondContact O-N 3.38Å; V178-C180 VanDerWaalsContact C-N 3.31Å; V178-C180 PolarHBondContact O-N 2.82Å; V178-C181 WeakPolarHBondContact O-CB 3.37Å; V178-C181 PolarHBondContact O-N 2.89Å; V178-W182 PolarHBondContact O-N 3.31Å; V178-M191 HydrophobicContact CG1-CE 3.7Å; V178-F195 HydrophobicContact CB-CE1 4.43Å; V178-F195 HydrophobicContact CG1-CD1 3.55Å; V178-F195 HydrophobicContact CG1-CE1 3.65Å; V178-F195 HydrophobicContact CG1-CG 4.49Å; V178-F195 HydrophobicContact CG2-CD1 4.48Å; V178-F195 HydrophobicContact CG2-CE1 3.8Å; V178-F213 VanDerWaalsContact CB-O 3.26Å; V178-F213 WeakPolarHBondContact CB-O 3.31Å; V178-F213 WeakPolarHBondContact CG1-O 3.22Å; V178-F213 HydrophobicContact CG2-CB 4.31Å |
| 179 | L | 96.4 | Very high | 96.4 | Very high | 13 Ų | 13 | 62 Ų | 62 | 7% | 0.068 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63 | -37.8 | 173.2 | -176.2 | 69 | 0 | 0 | 0 | 111.7 | N175 A176 A177 W182 H215 I218 M221 | N175-L179 WeakPolarHBondContact O-CB 3.43Å; N175-L179 PolarHBondContact O-N 2.84Å; A176-L179 WeakPolarHBondContact O-CB 3.2Å; A176-L179 PolarHBondContact O-N 3.08Å; A177-L179 VanDerWaalsContact C-N 3.34Å; A177-L179 PolarHBondContact O-N 3.47Å; L179-W182 WeakPolarHBondContact O-CB 3.45Å; L179-W182 PolarHBondContact O-N 2.99Å; L179-H215 HydrophobicContact CD1-CB 4.47Å; L179-H215 WeakPolarHBondContact CD1-O 3.22Å; L179-I218 HydrophobicContact CD2-CG1 3.95Å; L179-M221 HydrophobicContact CB-SD 3.92Å; L179-M221 HydrophobicContact CD2-CE 3.47Å; L179-M221 VanDerWaalsContact CD2-CE 3.47Å; L179-M221 HydrophobicContact CD2-SD 3.52Å; L179-M221 VanDerWaalsContact CD2-SD 3.52Å; L179-M221 HydrophobicContact CG-SD 4.27Å |
| 180 | C | 95.6 | Very high | 96.3 | Very high | 81 Ų | 81 | 63.2 Ų | 63.2 | 55% | 0.547 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 172.9 | -69.3 | 0 | 0 | 0 | 0 | 111.8 | A176 A177 V178 W182 R183 | A176-C180 PolarHBondContact O-N 2.8Å; A176-C180 PolarHBondContact O-SG 3.31Å; A176-C180 VanDerWaalsContact O-SG 3.35Å; A177-C180 WeakPolarHBondContact O-CB 3.34Å; A177-C180 PolarHBondContact O-N 3.47Å; A177-C180 VanDerWaalsContact O-N 3.13Å; V178-C180 VanDerWaalsContact C-N 3.31Å; V178-C180 PolarHBondContact O-N 2.82Å; C180-W182 PolarHBondContact O-N 2.89Å; C180-R183 WeakPolarHBondContact O-CA 3.43Å; C180-R183 WeakPolarHBondContact O-CB 3.2Å; C180-R183 PolarHBondContact O-N 2.97Å |
| 181 | C | 96 | Very high | 96.2 | Very high | 35 Ų | 35 | 61.3 Ų | 61.3 | 24% | 0.236 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.7 | -33.9 | 173.8 | -63.9 | 0 | 0 | 0 | 0 | 112.6 | A177 V178 R183 I184 M187 M191 | A177-C181 PolarHBondContact O-N 2.84Å; A177-C181 PolarHBondContact O-SG 2.88Å; A177-C181 VanDerWaalsContact O-SG 3.33Å; V178-C181 WeakPolarHBondContact O-CB 3.37Å; V178-C181 PolarHBondContact O-N 2.89Å; C181-R183 PolarHBondContact O-N 3.23Å; C181-I184 PolarHBondContact O-N 3.44Å; C181-M187 HydrophobicContact CB-CE 3.69Å; C181-M187 HydrophobicContact CB-SD 3.98Å; C181-M191 HydrophobicContact CB-CE 4.01Å; C181-M191 HydrophobicContact CB-SD 3.75Å |
| 182 | W | 94.5 | Very high | 96 | Very high | 27 Ų | 27 | 64.3 Ų | 64.3 | 10% | 0.102 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -10.3 | 171.4 | -82.1 | 109.6 | 0 | 0 | 0 | 114.2 | V178 L179 C180 Q188 M191 I192 F195 T196 S214 L273 | V178-W182 PolarHBondContact O-N 3.31Å; L179-W182 WeakPolarHBondContact O-CB 3.45Å; L179-W182 PolarHBondContact O-N 2.99Å; C180-W182 PolarHBondContact O-N 2.89Å; W182-Q188 PolarHBondContact O-NE2 3.08Å; W182-M191 HydrophobicContact CD2-CB 3.79Å; W182-M191 HydrophobicContact CD2-CE 3.96Å; W182-M191 HydrophobicContact CD2-CG 4.14Å; W182-M191 HydrophobicContact CE3-CB 3.73Å; W182-M191 HydrophobicContact CE3-CG 4.3Å; W182-M191 HydrophobicContact CG-CE 3.74Å; W182-M191 HydrophobicContact CG-CG 4.45Å; W182-M191 HydrophobicContact CH2-CB 3.68Å; W182-M191 HydrophobicContact CZ2-CB 3.75Å; W182-M191 HydrophobicContact CZ2-CE 4.43Å; W182-M191 HydrophobicContact CZ3-CB 3.67Å; W182-I192 HydrophobicContact CH2-CG1 3.94Å; W182-I192 HydrophobicContact CZ3-CG1 3.97Å; W182-F195 HydrophobicContact CZ2-CB 4.38Å; W182-T196 HydrophobicContact CH2-CG2 3.71Å; W182-T196 HydrophobicContact CZ2-CG2 3.74Å; W182-S214 PolarHBondContact NE1-OG 3.41Å; W182-L273 HydrophobicContact CZ2-CD2 4.03Å |
| 183 | R | 93.7 | Very high | 95.8 | Very high | 148 Ų | 148 | 66.9 Ų | 66.9 | 56% | 0.558 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -10.6 | 175.8 | -54.1 | -51.3 | 177.4 | 91 | -1.7 | 113.5 | C180 C181 P185 | C180-R183 WeakPolarHBondContact O-CA 3.43Å; C180-R183 WeakPolarHBondContact O-CB 3.2Å; C180-R183 PolarHBondContact O-N 2.97Å; C181-R183 PolarHBondContact O-N 3.23Å; R183-P185 WeakPolarHBondContact O-CD 3.17Å |
| 184 | I | 95.6 | Very high | 95.8 | Very high | 80 Ų | 80 | 67.4 Ų | 67.4 | 41% | 0.41 | 36% | 0.361 | S | S | . | . | trans | -90.9 | 114.7 | -178.9 | -60 | 171.6 | 0 | 0 | 0 | 108.6 | C181 A186 M187 | C181-I184 PolarHBondContact O-N 3.44Å; I184-A186 VanDerWaalsContact C-N 3.26Å; I184-A186 HydrophobicContact CG2-CB 4.18Å; I184-A186 PolarHBondContact O-N 3.29Å; I184-M187 HydrophobicContact CB-CB 4.25Å; I184-M187 HydrophobicContact CB-CG 4.06Å; I184-M187 HydrophobicContact CB-SD 4.1Å; I184-M187 HydrophobicContact CD1-SD 3.7Å; I184-M187 HydrophobicContact CG1-SD 4.46Å; I184-M187 HydrophobicContact CG2-CB 4.39Å; I184-M187 HydrophobicContact CG2-CG 3.87Å; I184-M187 HydrophobicContact CG2-SD 4.26Å; I184-M187 PolarHBondContact O-N 3.36Å | ||
| 185 | P | 95.4 | Very high | 95.7 | Very high | 111 Ų | 111 | 65.6 Ų | 65.6 | 72% | 0.721 | 35% | 0.348 | S | S | * | . | G | 310 helix | trans | -58 | -36.7 | -177.5 | -27.4 | 36.5 | 0 | 0 | 0 | 113.5 | R183 M187 Q188 | R183-P185 WeakPolarHBondContact O-CD 3.17Å; P185-M187 PolarHBondContact O-N 3.12Å; P185-Q188 WeakPolarHBondContact O-CG 3.3Å; P185-Q188 PolarHBondContact O-N 3.47Å |
| 186 | A | 97.3 | Very high | 95.5 | Very high | 91 Ų | 91 | 66.5 Ų | 66.5 | 75% | 0.752 | 35% | 0.353 | S | S | * | . | G | 310 helix | trans | -62.4 | -29.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | I184 | I184-A186 VanDerWaalsContact C-N 3.26Å; I184-A186 HydrophobicContact CG2-CB 4.18Å; I184-A186 PolarHBondContact O-N 3.29Å |
| 187 | M | 95.4 | Very high | 95.4 | Very high | 62 Ų | 62 | 64.7 Ų | 64.7 | 31% | 0.305 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -88 | -11.6 | -176.9 | -65 | -175.8 | 73.2 | 0 | 0 | 113.4 | C181 I184 P185 R189 T190 M191 | C181-M187 HydrophobicContact CB-CE 3.69Å; C181-M187 HydrophobicContact CB-SD 3.98Å; I184-M187 HydrophobicContact CB-CB 4.25Å; I184-M187 HydrophobicContact CB-CG 4.06Å; I184-M187 HydrophobicContact CB-SD 4.1Å; I184-M187 HydrophobicContact CD1-SD 3.7Å; I184-M187 HydrophobicContact CG1-SD 4.46Å; I184-M187 HydrophobicContact CG2-CB 4.39Å; I184-M187 HydrophobicContact CG2-CG 3.87Å; I184-M187 HydrophobicContact CG2-SD 4.26Å; I184-M187 PolarHBondContact O-N 3.36Å; P185-M187 PolarHBondContact O-N 3.12Å; M187-R189 VanDerWaalsContact C-N 3.3Å; M187-R189 PolarHBondContact O-N 2.99Å; M187-R189 VanDerWaalsContact O-N 3.14Å; M187-T190 WeakPolarHBondContact O-CA 3.12Å; M187-T190 WeakPolarHBondContact O-CB 3.42Å; M187-T190 PolarHBondContact O-N 3.4Å; M187-M191 HydrophobicContact CB-CG 4.26Å; M187-M191 WeakPolarHBondContact O-CG 3.16Å; M187-M191 PolarHBondContact O-N 3.28Å |
| 188 | Q | 93.5 | Very high | 95.2 | Very high | 61 Ų | 61 | 63.7 Ų | 63.7 | 29% | 0.285 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -52.5 | -42.7 | -172.1 | -69.7 | -63.3 | -40.8 | 0 | 0 | 113.9 | W182 P185 T190 M191 I192 | W182-Q188 PolarHBondContact O-NE2 3.08Å; P185-Q188 WeakPolarHBondContact O-CG 3.3Å; P185-Q188 PolarHBondContact O-N 3.47Å; Q188-T190 PolarHBondContact O-N 3.33Å; Q188-M191 PolarHBondContact O-N 3.14Å; Q188-I192 VanDerWaalsContact O-CG1 3.3Å; Q188-I192 WeakPolarHBondContact O-CG1 3.38Å; Q188-I192 PolarHBondContact O-N 3.42Å |
| 189 | R | 94.2 | Very high | 94.9 | Very high | 222 Ų | 222 | 63 Ų | 63 | 84% | 0.838 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.9 | -42.5 | 179.8 | -59.9 | -174.1 | -150.6 | 164.2 | 6.9 | 111.6 | M187 K193 | M187-R189 VanDerWaalsContact C-N 3.3Å; M187-R189 PolarHBondContact O-N 2.99Å; M187-R189 VanDerWaalsContact O-N 3.14Å; R189-K193 VanDerWaalsContact O-CB 3.26Å; R189-K193 WeakPolarHBondContact O-CB 3.26Å; R189-K193 PolarHBondContact O-N 3.02Å |
| 190 | T | 95.1 | Very high | 94.5 | Very high | 66 Ų | 66 | 65 Ų | 65 | 41% | 0.405 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 176.6 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | M187 Q188 K193 Y194 | M187-T190 WeakPolarHBondContact O-CA 3.12Å; M187-T190 WeakPolarHBondContact O-CB 3.42Å; M187-T190 PolarHBondContact O-N 3.4Å; Q188-T190 PolarHBondContact O-N 3.33Å; T190-K193 PolarHBondContact O-N 3.1Å; T190-Y194 HydrophobicContact CG2-CD2 3.76Å; T190-Y194 HydrophobicContact CG2-CE2 4.32Å; T190-Y194 WeakPolarHBondContact O-CB 3.09Å; T190-Y194 PolarHBondContact O-N 2.95Å |
| 191 | M | 95.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 177.5 | -63.5 | -49.9 | -70.1 | 0 | 0 | 111.7 | V178 C181 W182 M187 Q188 K193 F195 T196 | V178-M191 HydrophobicContact CG1-CE 3.7Å; C181-M191 HydrophobicContact CB-CE 4.01Å; C181-M191 HydrophobicContact CB-SD 3.75Å; W182-M191 HydrophobicContact CD2-CB 3.79Å; W182-M191 HydrophobicContact CD2-CE 3.96Å; W182-M191 HydrophobicContact CD2-CG 4.14Å; W182-M191 HydrophobicContact CE3-CB 3.73Å; W182-M191 HydrophobicContact CE3-CG 4.3Å; W182-M191 HydrophobicContact CG-CE 3.74Å; W182-M191 HydrophobicContact CG-CG 4.45Å; W182-M191 HydrophobicContact CH2-CB 3.68Å; W182-M191 HydrophobicContact CZ2-CB 3.75Å; W182-M191 HydrophobicContact CZ2-CE 4.43Å; W182-M191 HydrophobicContact CZ3-CB 3.67Å; M187-M191 HydrophobicContact CB-CG 4.26Å; M187-M191 WeakPolarHBondContact O-CG 3.16Å; M187-M191 PolarHBondContact O-N 3.28Å; Q188-M191 PolarHBondContact O-N 3.14Å; M191-K193 PolarHBondContact O-N 3.39Å; M191-F195 HydrophobicContact CE-CB 3.92Å; M191-F195 HydrophobicContact CE-CD1 3.98Å; M191-F195 HydrophobicContact CE-CD2 3.88Å; M191-F195 HydrophobicContact CE-CE1 4.45Å; M191-F195 HydrophobicContact CE-CE2 4.35Å; M191-F195 HydrophobicContact CE-CG 3.66Å; M191-F195 CarbonylContact O-C 3.47Å; M191-F195 VanDerWaalsContact O-CA 3.26Å; M191-F195 WeakPolarHBondContact O-CA 3.41Å; M191-F195 WeakPolarHBondContact O-CB 3.2Å; M191-F195 PolarHBondContact O-N 3.34Å; M191-F195 HydrophobicContact SD-CD2 3.64Å; M191-F195 HydrophobicContact SD-CE2 3.87Å; M191-F195 HydrophobicContact SD-CG 4.08Å; M191-F195 HydrophobicContact SD-CZ 4.49Å; M191-T196 PolarHBondContact O-N 3.41Å |
| 192 | I | 94 | Very high | 93.8 | Very high | 72 Ų | 72 | 71.3 Ų | 71.3 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.8 | -67.2 | 165.4 | 0 | 0 | 0 | 110.8 | W182 Q188 T196 | W182-I192 HydrophobicContact CH2-CG1 3.94Å; W182-I192 HydrophobicContact CZ3-CG1 3.97Å; Q188-I192 VanDerWaalsContact O-CG1 3.3Å; Q188-I192 WeakPolarHBondContact O-CG1 3.38Å; Q188-I192 PolarHBondContact O-N 3.42Å; I192-T196 PolarHBondContact O-OG1 3.07Å |
| 193 | K | 94.2 | Very high | 93.5 | Very high | 99 Ų | 99 | 71.7 Ų | 71.7 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -71.1 | -41 | -174.8 | -174 | 179.3 | 179.6 | -165.4 | 0 | 113.6 | R189 T190 M191 T203 | R189-K193 VanDerWaalsContact O-CB 3.26Å; R189-K193 WeakPolarHBondContact O-CB 3.26Å; R189-K193 PolarHBondContact O-N 3.02Å; T190-K193 PolarHBondContact O-N 3.1Å; M191-K193 PolarHBondContact O-N 3.39Å; K193-T203 PolarHBondContact O-OG1 3.19Å |
| 194 | Y | 95.9 | Very high | 93.3 | Very high | 68 Ų | 68 | 65.9 Ų | 65.9 | 27% | 0.267 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -111.8 | -24.3 | -169.6 | -61.4 | -63.5 | 0 | 0 | 0 | 114.1 | T190 T203 L206 P207 L210 | T190-Y194 HydrophobicContact CG2-CD2 3.76Å; T190-Y194 HydrophobicContact CG2-CE2 4.32Å; T190-Y194 WeakPolarHBondContact O-CB 3.09Å; T190-Y194 PolarHBondContact O-N 2.95Å; Y194-T203 HydrophobicContact CE1-CG2 3.96Å; Y194-L206 HydrophobicContact CD1-CD2 3.78Å; Y194-L206 HydrophobicContact CE1-CD2 4.24Å; Y194-L206 HydrophobicContact CG-CD2 4.36Å; Y194-P207 VanDerWaalsContact O-CA 3.22Å; Y194-P207 WeakPolarHBondContact O-CA 3.42Å; Y194-L210 VanDerWaalsContact O-CB 3.31Å; Y194-L210 WeakPolarHBondContact O-CB 3.06Å |
| 195 | F | 96.7 | Very high | 93.3 | Very high | 33 Ų | 33 | 63.7 Ų | 63.7 | 15% | 0.145 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -106.1 | 10.2 | -178.5 | -69.5 | -100.5 | 0 | 0 | 0 | 113.1 | V178 W182 M191 L210 S214 | V178-F195 HydrophobicContact CB-CE1 4.43Å; V178-F195 HydrophobicContact CG1-CD1 3.55Å; V178-F195 HydrophobicContact CG1-CE1 3.65Å; V178-F195 HydrophobicContact CG1-CG 4.49Å; V178-F195 HydrophobicContact CG2-CD1 4.48Å; V178-F195 HydrophobicContact CG2-CE1 3.8Å; W182-F195 HydrophobicContact CZ2-CB 4.38Å; M191-F195 HydrophobicContact CE-CB 3.92Å; M191-F195 HydrophobicContact CE-CD1 3.98Å; M191-F195 HydrophobicContact CE-CD2 3.88Å; M191-F195 HydrophobicContact CE-CE1 4.45Å; M191-F195 HydrophobicContact CE-CE2 4.35Å; M191-F195 HydrophobicContact CE-CG 3.66Å; M191-F195 CarbonylContact O-C 3.47Å; M191-F195 VanDerWaalsContact O-CA 3.26Å; M191-F195 WeakPolarHBondContact O-CA 3.41Å; M191-F195 WeakPolarHBondContact O-CB 3.2Å; M191-F195 PolarHBondContact O-N 3.34Å; M191-F195 HydrophobicContact SD-CD2 3.64Å; M191-F195 HydrophobicContact SD-CE2 3.87Å; M191-F195 HydrophobicContact SD-CG 4.08Å; M191-F195 HydrophobicContact SD-CZ 4.49Å; F195-L210 HydrophobicContact CD1-CB 3.85Å; F195-L210 WeakPolarHBondContact CD1-O 3.38Å; F195-L210 HydrophobicContact CD2-CD1 4.39Å; F195-L210 HydrophobicContact CE1-CB 4.02Å; F195-L210 HydrophobicContact CE1-CD1 4.43Å; F195-L210 HydrophobicContact CE1-CD2 4.13Å; F195-L210 HydrophobicContact CE1-CG 4.43Å; F195-L210 HydrophobicContact CE2-CD1 4.06Å; F195-L210 HydrophobicContact CG-CB 4.18Å; F195-L210 HydrophobicContact CZ-CB 4.49Å; F195-L210 HydrophobicContact CZ-CD1 4.09Å; F195-L210 HydrophobicContact CZ-CD2 4.25Å; F195-S214 WeakPolarHBondContact O-CB 3.12Å; F195-S214 PolarHBondContact O-OG 3.45Å |
| 196 | T | 95.2 | Very high | 93.3 | Very high | 18 Ų | 18 | 62.4 Ų | 62.4 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -124.8 | 129.2 | 169.6 | 81.5 | 0 | 0 | 0 | 0 | 110.1 | W182 M191 I192 P207 L273 | W182-T196 HydrophobicContact CH2-CG2 3.71Å; W182-T196 HydrophobicContact CZ2-CG2 3.74Å; M191-T196 PolarHBondContact O-N 3.41Å; I192-T196 PolarHBondContact O-OG1 3.07Å; T196-P207 WeakPolarHBondContact O-CB 3.2Å; T196-L273 HydrophobicContact CG2-CD2 3.67Å |
| 197 | S | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.285 | C | S | . | . | B | Isolated β-bridge | trans | -87.8 | 124.4 | -178.7 | 84.4 | 0 | 0 | 0 | 0 | 109.4 | P271 S272 | S197-P271 CarbonylContact O-C 3.57Å; S197-P271 VanDerWaalsContact O-CA 3.27Å; S197-P271 WeakPolarHBondContact O-CA 3.13Å; S197-S272 PolarHBondContact N-O 3.24Å; S197-S272 PolarHBondContact O-N 3.23Å; S197-S272 PolarHBondContact OG-O 3.48Å; S197-S272 VanDerWaalsContact OG-O 3.05Å; S197-S272 PolarHBondContact OG-OG 2.94Å |
| 198 | N | 93.1 | Very high | 93.3 | Very high | 34 Ų | 34 | 55.1 Ų | 55.1 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | trans | -146.8 | 118.7 | 174 | -176.3 | -11 | 0 | 0 | 0 | 108.6 | A200 S201 Y260 P271 | N198-A200 PolarHBondContact O-N 3.24Å; N198-A200 VanDerWaalsContact O-N 3.15Å; N198-A200 WeakPolarHBondContact OD1-CB 3.49Å; N198-A200 PolarHBondContact OD1-N 2.98Å; N198-S201 VanDerWaalsContact O-CB 3.27Å; N198-S201 WeakPolarHBondContact O-CB 3.39Å; N198-S201 PolarHBondContact O-N 3.32Å; N198-Y260 PolarHBondContact N-OH 2.87Å; N198-P271 HydrophobicContact CB-CB 4.45Å | ||
| 199 | P | 91.8 | Very high | 93.5 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23 | -180 | 27.7 | -37 | 0 | 0 | 0 | 112.5 | P79 S201 Q204 Y260 K263 F269 | P79-P199 HydrophobicContact CB-CB 4.16Å; P79-P199 VanDerWaalsContact CB-O 3.23Å; P79-P199 WeakPolarHBondContact CB-O 3.33Å; P79-P199 HydrophobicContact CG-CB 4.15Å; P79-P199 WeakPolarHBondContact CG-O 3.35Å; P199-S201 VanDerWaalsContact C-N 3.29Å; P199-S201 PolarHBondContact O-N 2.94Å; P199-Q204 PolarHBondContact O-NE2 2.86Å; P199-Y260 HydrophobicContact CB-CD1 4.02Å; P199-Y260 HydrophobicContact CB-CD2 4.13Å; P199-Y260 HydrophobicContact CB-CE1 4.42Å; P199-Y260 HydrophobicContact CB-CG 3.85Å; P199-Y260 HydrophobicContact CG-CD1 4.22Å; P199-Y260 HydrophobicContact CG-CG 4.47Å; P199-K263 HydrophobicContact CG-CB 3.89Å; P199-K263 HydrophobicContact CG-CD 4.31Å; P199-F269 HydrophobicContact CG-CD1 3.75Å; P199-F269 HydrophobicContact CG-CE1 4.23Å |
| 200 | A | 89.3 | Confident | 93.6 | Very high | 54 Ų | 54 | 45.2 Ų | 45.2 | 45% | 0.446 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N198 F269 | N198-A200 PolarHBondContact O-N 3.24Å; N198-A200 VanDerWaalsContact O-N 3.15Å; N198-A200 WeakPolarHBondContact OD1-CB 3.49Å; N198-A200 PolarHBondContact OD1-N 2.98Å; A200-F269 HydrophobicContact CB-CB 3.98Å; A200-F269 HydrophobicContact CB-CD1 4.34Å; A200-F269 HydrophobicContact CB-CD2 4.38Å; A200-F269 HydrophobicContact CB-CG 3.98Å |
| 201 | S | 88.3 | Confident | 93.7 | Very high | 39 Ų | 39 | 42.2 Ų | 42.2 | 27% | 0.273 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -71.1 | 152.5 | 177.7 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | N198 P199 T203 Q204 | N198-S201 VanDerWaalsContact O-CB 3.27Å; N198-S201 WeakPolarHBondContact O-CB 3.39Å; N198-S201 PolarHBondContact O-N 3.32Å; P199-S201 VanDerWaalsContact C-N 3.29Å; P199-S201 PolarHBondContact O-N 2.94Å; S201-T203 VanDerWaalsContact C-N 3.26Å; S201-T203 PolarHBondContact O-N 2.66Å; S201-T203 PolarHBondContact OG-N 2.93Å; S201-T203 PolarHBondContact OG-OG1 3.27Å; S201-Q204 WeakPolarHBondContact O-CG 3Å |
| 202 | K | 87 | Confident | 93.7 | Very high | 211 Ų | 211 | 42.4 Ų | 42.4 | 92% | 0.917 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -66.4 | -31.4 | 170.3 | -66.7 | -175.6 | -179.8 | -179 | 0 | 111.8 | ||
| 203 | T | 89.5 | Confident | 93.9 | Very high | 35 Ų | 35 | 40.3 Ų | 40.3 | 22% | 0.215 | 21% | 0.207 | C | C | . | . | trans | -100.2 | 89.7 | 179 | 47.6 | 0 | 0 | 0 | 0 | 108.9 | K193 Y194 S201 P207 | K193-T203 PolarHBondContact O-OG1 3.19Å; Y194-T203 HydrophobicContact CE1-CG2 3.96Å; S201-T203 VanDerWaalsContact C-N 3.26Å; S201-T203 PolarHBondContact O-N 2.66Å; S201-T203 PolarHBondContact OG-N 2.93Å; S201-T203 PolarHBondContact OG-OG1 3.27Å; T203-P207 WeakPolarHBondContact O-CD 3.18Å; T203-P207 WeakPolarHBondContact O-CG 3.42Å | ||
| 204 | Q | 89.8 | Confident | 94 | Very high | 25 Ų | 25 | 35.6 Ų | 35.6 | 12% | 0.117 | 19% | 0.187 | C | C | . | . | trans | -92.8 | -40 | -175.4 | -58.7 | 173.8 | -55.5 | 0 | 0 | 112.6 | R80 P84 P199 S201 M208 Y260 | R80-Q204 PolarHBondContact O-NE2 3.06Å; R80-Q204 PolarHBondContact O-OE1 3.4Å; P84-Q204 HydrophobicContact CG-CB 3.83Å; P199-Q204 PolarHBondContact O-NE2 2.86Å; S201-Q204 WeakPolarHBondContact O-CG 3Å; Q204-M208 VanDerWaalsContact O-CG 3.23Å; Q204-M208 WeakPolarHBondContact O-CG 3.46Å; Q204-Y260 HydrophobicContact CB-CE2 4.12Å; Q204-Y260 PolarHBondContact O-OH 3.02Å | ||
| 205 | C | 94.9 | Very high | 94 | Very high | 34 Ų | 34 | 32.3 Ų | 32.3 | 23% | 0.23 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -74.6 | -54 | -169.6 | -57.1 | 0 | 0 | 0 | 0 | 113.5 | F87 P207 M208 | F87-C205 HydrophobicContact CB-CB 4.03Å; F87-C205 HydrophobicContact CD1-CB 3.84Å; F87-C205 HydrophobicContact CD2-CB 3.68Å; F87-C205 HydrophobicContact CE1-CB 4.14Å; F87-C205 WeakPolarHBondContact CE1-O 3.32Å; F87-C205 HydrophobicContact CE2-CB 3.98Å; F87-C205 HydrophobicContact CG-CB 3.57Å; F87-C205 HydrophobicContact CZ-CB 4.17Å; C205-P207 VanDerWaalsContact C-N 3.35Å; C205-M208 VanDerWaalsContact O-CB 3.31Å; C205-M208 WeakPolarHBondContact O-CB 3.3Å; C205-M208 WeakPolarHBondContact O-CG 3.4Å; C205-M208 PolarHBondContact O-N 3.3Å |
| 206 | L | 95.3 | Very high | 93.3 | Very high | 84 Ų | 84 | 36.6 Ų | 36.6 | 44% | 0.44 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.5 | -40.7 | -176 | -172.5 | 64.3 | 0 | 0 | 0 | 112.9 | Y194 M208 I209 L210 | Y194-L206 HydrophobicContact CD1-CD2 3.78Å; Y194-L206 HydrophobicContact CE1-CD2 4.24Å; Y194-L206 HydrophobicContact CG-CD2 4.36Å; L206-M208 PolarHBondContact O-N 3.45Å; L206-I209 PolarHBondContact O-N 3.01Å; L206-L210 HydrophobicContact CD1-CD1 4.11Å; L206-L210 HydrophobicContact CD1-CG 4.29Å; L206-L210 HydrophobicContact CD2-CD1 4.01Å; L206-L210 HydrophobicContact CG-CD1 3.69Å; L206-L210 HydrophobicContact CG-CG 4.22Å; L206-L210 PolarHBondContact O-N 2.88Å |
| 207 | P | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.5 | -24 | 173.4 | -27.3 | 37 | 0 | 0 | 0 | 115.6 | Y194 T196 T203 C205 I209 L210 S211 | Y194-P207 VanDerWaalsContact O-CA 3.22Å; Y194-P207 WeakPolarHBondContact O-CA 3.42Å; T196-P207 WeakPolarHBondContact O-CB 3.2Å; T203-P207 WeakPolarHBondContact O-CD 3.18Å; T203-P207 WeakPolarHBondContact O-CG 3.42Å; C205-P207 VanDerWaalsContact C-N 3.35Å; P207-I209 PolarHBondContact O-N 3.39Å; P207-L210 PolarHBondContact O-N 3.1Å; P207-S211 WeakPolarHBondContact O-CB 3.21Å; P207-S211 PolarHBondContact O-N 3.18Å; P207-S211 PolarHBondContact O-OG 3.42Å |
| 208 | M | 96.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -30.4 | 179.8 | -54 | 176.5 | 71 | 0 | 0 | 112.6 | P84 F87 T88 Q204 C205 L206 S212 V253 T256 M257 Y260 | P84-M208 HydrophobicContact CB-CE 4.22Å; P84-M208 HydrophobicContact CB-SD 3.8Å; F87-M208 HydrophobicContact CD1-SD 3.84Å; F87-M208 HydrophobicContact CE1-CB 4.22Å; F87-M208 HydrophobicContact CE1-SD 4.44Å; T88-M208 WeakPolarHBondContact OG1-CE 3.27Å; Q204-M208 VanDerWaalsContact O-CG 3.23Å; Q204-M208 WeakPolarHBondContact O-CG 3.46Å; C205-M208 VanDerWaalsContact O-CB 3.31Å; C205-M208 WeakPolarHBondContact O-CB 3.3Å; C205-M208 WeakPolarHBondContact O-CG 3.4Å; C205-M208 PolarHBondContact O-N 3.3Å; L206-M208 PolarHBondContact O-N 3.45Å; M208-S212 PolarHBondContact O-OG 3.16Å; M208-V253 HydrophobicContact CB-CG1 3.95Å; M208-V253 HydrophobicContact CB-CG2 4.48Å; M208-V253 HydrophobicContact CE-CG1 3.86Å; M208-V253 WeakPolarHBondContact CE-O 3.26Å; M208-V253 HydrophobicContact SD-CG1 4.41Å; M208-T256 HydrophobicContact CB-CG2 4.03Å; M208-T256 HydrophobicContact CG-CG2 3.9Å; M208-T256 PolarHBondContact O-OG1 3.4Å; M208-M257 HydrophobicContact CE-CB 3.66Å; M208-M257 HydrophobicContact CE-CG 4.37Å; M208-M257 HydrophobicContact CE-SD 3.98Å; M208-Y260 HydrophobicContact CG-CE2 4.07Å; M208-Y260 HydrophobicContact SD-CE2 4.27Å |
| 209 | I | 96.6 | Very high | 93.1 | Very high | 31 Ų | 31 | 47.2 Ų | 47.2 | 16% | 0.159 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -88 | -55.5 | 174.3 | -57.7 | 162.8 | 0 | 0 | 0 | 109.5 | F87 F91 L206 P207 S211 S212 F213 V253 | F87-I209 HydrophobicContact CE1-CD1 3.91Å; F87-I209 HydrophobicContact CE1-CG1 4Å; F87-I209 HydrophobicContact CZ-CD1 3.43Å; F87-I209 VanDerWaalsContact CZ-CD1 3.43Å; F87-I209 HydrophobicContact CZ-CG1 4.03Å; F91-I209 HydrophobicContact CD1-CD1 4.48Å; F91-I209 HydrophobicContact CD1-CG1 4.39Å; F91-I209 HydrophobicContact CD2-CD1 3.42Å; F91-I209 VanDerWaalsContact CD2-CD1 3.42Å; F91-I209 HydrophobicContact CD2-CG1 4.19Å; F91-I209 HydrophobicContact CE1-CD1 4.27Å; F91-I209 HydrophobicContact CE1-CG1 4.09Å; F91-I209 HydrophobicContact CE2-CD1 3.18Å; F91-I209 HydrophobicContact CE2-CG1 3.89Å; F91-I209 HydrophobicContact CG-CD1 4.08Å; F91-I209 HydrophobicContact CG-CG1 4.42Å; F91-I209 HydrophobicContact CZ-CD1 3.64Å; F91-I209 HydrophobicContact CZ-CG1 3.82Å; F91-I209 HydrophobicContact CZ-CG2 4.25Å; L206-I209 PolarHBondContact O-N 3.01Å; P207-I209 PolarHBondContact O-N 3.39Å; I209-S211 VanDerWaalsContact C-N 3.28Å; I209-S211 PolarHBondContact O-N 2.89Å; I209-S212 WeakPolarHBondContact O-CB 3.45Å; I209-S212 PolarHBondContact O-N 2.87Å; I209-F213 HydrophobicContact CG2-CE2 4.39Å; I209-V253 HydrophobicContact CB-CG2 4.37Å; I209-V253 HydrophobicContact CG1-CG2 3.43Å; I209-V253 VanDerWaalsContact CG1-CG2 3.43Å |
| 210 | L | 97.3 | Very high | 93.2 | Very high | 45 Ų | 45 | 49.1 Ų | 49.1 | 24% | 0.236 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.8 | -30.8 | -169.7 | -66.2 | -176.2 | 0 | 0 | 0 | 112.9 | Y194 F195 L206 P207 S212 F213 S214 | Y194-L210 VanDerWaalsContact O-CB 3.31Å; Y194-L210 WeakPolarHBondContact O-CB 3.06Å; F195-L210 HydrophobicContact CD1-CB 3.85Å; F195-L210 WeakPolarHBondContact CD1-O 3.38Å; F195-L210 HydrophobicContact CD2-CD1 4.39Å; F195-L210 HydrophobicContact CE1-CB 4.02Å; F195-L210 HydrophobicContact CE1-CD1 4.43Å; F195-L210 HydrophobicContact CE1-CD2 4.13Å; F195-L210 HydrophobicContact CE1-CG 4.43Å; F195-L210 HydrophobicContact CE2-CD1 4.06Å; F195-L210 HydrophobicContact CG-CB 4.18Å; F195-L210 HydrophobicContact CZ-CB 4.49Å; F195-L210 HydrophobicContact CZ-CD1 4.09Å; F195-L210 HydrophobicContact CZ-CD2 4.25Å; L206-L210 HydrophobicContact CD1-CD1 4.11Å; L206-L210 HydrophobicContact CD1-CG 4.29Å; L206-L210 HydrophobicContact CD2-CD1 4.01Å; L206-L210 HydrophobicContact CG-CD1 3.69Å; L206-L210 HydrophobicContact CG-CG 4.22Å; L206-L210 PolarHBondContact O-N 2.88Å; P207-L210 PolarHBondContact O-N 3.1Å; L210-S212 PolarHBondContact O-N 3.23Å; L210-F213 PolarHBondContact O-N 2.78Å; L210-F213 VanDerWaalsContact O-N 3.1Å; L210-S214 PolarHBondContact O-N 2.94Å |
| 211 | S | 96.4 | Very high | 93.5 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -64.9 | -24.9 | 174.5 | 73 | 0 | 0 | 0 | 0 | 112.6 | P207 I209 F213 S214 G274 | P207-S211 WeakPolarHBondContact O-CB 3.21Å; P207-S211 PolarHBondContact O-N 3.18Å; P207-S211 PolarHBondContact O-OG 3.42Å; I209-S211 VanDerWaalsContact C-N 3.28Å; I209-S211 PolarHBondContact O-N 2.89Å; S211-F213 PolarHBondContact O-N 2.87Å; S211-S214 PolarHBondContact O-N 2.91Å; S211-G274 PolarHBondContact O-N 3.05Å |
| 212 | S | 96.8 | Very high | 93.8 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 4% | 0.035 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -69.4 | -16.5 | 175.7 | -57.5 | 0 | 0 | 0 | 0 | 112.7 | M208 I209 L210 G252 A275 | M208-S212 PolarHBondContact O-OG 3.16Å; I209-S212 WeakPolarHBondContact O-CB 3.45Å; I209-S212 PolarHBondContact O-N 2.87Å; L210-S212 PolarHBondContact O-N 3.23Å; S212-G252 VanDerWaalsContact OG-CA 3.3Å; S212-G252 WeakPolarHBondContact OG-CA 3.4Å; S212-A275 WeakPolarHBondContact O-CA 3.49Å; S212-A275 VanDerWaalsContact O-CB 3.25Å; S212-A275 WeakPolarHBondContact O-CB 3.43Å; S212-A275 PolarHBondContact O-N 2.99Å |
| 213 | F | 97.6 | Very high | 94.2 | Very high | 27 Ų | 27 | 42.4 Ų | 42.4 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -107.2 | 8.4 | 175.7 | -65.6 | -86.7 | 0 | 0 | 0 | 112.9 | I171 V174 N175 V178 I209 L210 S211 Y248 L249 | I171-F213 HydrophobicContact CG2-CE1 4.16Å; V174-F213 HydrophobicContact CB-CD1 4.17Å; V174-F213 HydrophobicContact CB-CE1 4.49Å; V174-F213 HydrophobicContact CG1-CB 4.35Å; V174-F213 HydrophobicContact CG1-CD1 3.55Å; V174-F213 HydrophobicContact CG1-CE1 4.09Å; V174-F213 HydrophobicContact CG1-CG 4.09Å; N175-F213 WeakPolarHBondContact ND2-CD1 3.26Å; N175-F213 VanDerWaalsContact OD1-CA 3.24Å; N175-F213 WeakPolarHBondContact OD1-CA 3.31Å; N175-F213 PolarHBondContact OD1-O 3.46Å; N175-F213 VanDerWaalsContact OD1-O 3.13Å; V178-F213 VanDerWaalsContact CB-O 3.26Å; V178-F213 WeakPolarHBondContact CB-O 3.31Å; V178-F213 WeakPolarHBondContact CG1-O 3.22Å; V178-F213 HydrophobicContact CG2-CB 4.31Å; I209-F213 HydrophobicContact CG2-CE2 4.39Å; L210-F213 PolarHBondContact O-N 2.78Å; L210-F213 VanDerWaalsContact O-N 3.1Å; S211-F213 PolarHBondContact O-N 2.87Å; F213-Y248 HydrophobicContact CE1-CE1 4.26Å; F213-Y248 HydrophobicContact CZ-CE1 4.14Å; F213-L249 HydrophobicContact CE2-CD2 3.88Å; F213-L249 HydrophobicContact CZ-CD2 3.67Å |
| 214 | S | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | trans | -112 | 132.6 | -170.5 | -178.7 | 0 | 0 | 0 | 0 | 110.8 | W182 F195 L210 S211 L273 G274 | W182-S214 PolarHBondContact NE1-OG 3.41Å; F195-S214 WeakPolarHBondContact O-CB 3.12Å; F195-S214 PolarHBondContact O-OG 3.45Å; L210-S214 PolarHBondContact O-N 2.94Å; S211-S214 PolarHBondContact O-N 2.91Å; S214-L273 CarbonylContact O-C 3.58Å; S214-L273 WeakPolarHBondContact O-CD1 3.44Å; S214-G274 WeakPolarHBondContact O-CA 3.36Å; S214-G274 PolarHBondContact O-N 3.28Å | ||
| 215 | H | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -135.1 | 134.1 | 178.1 | -66.5 | 85 | 0 | 0 | 0 | 110.1 | N175 L179 H220 M221 A275 | N175-H215 PolarHBondContact OD1-CE1 3.2Å; N175-H215 PolarHBondContact OD1-ND1 2.97Å; N175-H215 VanDerWaalsContact OD1-ND1 3.12Å; L179-H215 HydrophobicContact CD1-CB 4.47Å; L179-H215 WeakPolarHBondContact CD1-O 3.22Å; H215-H220 AromaticContact CD2-ND1 3.76Å; H215-M221 HydrophobicContact CB-CB 3.81Å; H215-M221 HydrophobicContact CB-CG 4.36Å; H215-A275 PolarHBondContact CE1-N 3.45Å; H215-A275 PolarHBondContact NE2-N 2.83Å | ||
| 216 | Y | 82.5 | Confident | 94.9 | Very high | 123 Ų | 123 | 44 Ų | 44 | 48% | 0.482 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -81.5 | -34.7 | 179.5 | -179.1 | -103.8 | 0 | 0 | 0 | 112.1 | ||
| 217 | S | 89.9 | Confident | 94.9 | Very high | 44 Ų | 44 | 41.9 Ų | 41.9 | 31% | 0.308 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -122.3 | 148.5 | -178.9 | 73.9 | 0 | 0 | 0 | 0 | 111.9 | I219 H220 M221 | S217-I219 VanDerWaalsContact C-N 3.3Å; S217-I219 PolarHBondContact O-N 2.79Å; S217-H220 PolarHBondContact O-N 3.06Å; S217-H220 WeakPolarHBondContact OG-CB 3.49Å; S217-H220 PolarHBondContact OG-N 3.11Å; S217-M221 PolarHBondContact O-N 2.92Å; S217-M221 VanDerWaalsContact O-N 3.11Å |
| 218 | I | 94.1 | Very high | 95 | Very high | 89 Ų | 89 | 41.9 Ų | 41.9 | 46% | 0.456 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.2 | -43.6 | 176.8 | -67.3 | 163.8 | 0 | 0 | 0 | 110.1 | L179 H220 M221 V222 | L179-I218 HydrophobicContact CD2-CG1 3.95Å; I218-H220 VanDerWaalsContact C-N 3.34Å; I218-H220 PolarHBondContact O-N 3.32Å; I218-M221 WeakPolarHBondContact O-CB 3.26Å; I218-M221 PolarHBondContact O-N 3.42Å; I218-M221 VanDerWaalsContact O-N 3.16Å; I218-V222 HydrophobicContact CG2-CG2 4.04Å; I218-V222 WeakPolarHBondContact O-CG2 3.3Å; I218-V222 PolarHBondContact O-N 3.29Å |
| 219 | I | 93.1 | Very high | 95 | Very high | 141 Ų | 141 | 45.4 Ų | 45.4 | 72% | 0.723 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -61.6 | -43.2 | -178.8 | -61.3 | 173.2 | 0 | 0 | 0 | 110.8 | S217 M221 V222 A223 | S217-I219 VanDerWaalsContact C-N 3.3Å; S217-I219 PolarHBondContact O-N 2.79Å; I219-M221 VanDerWaalsContact C-N 3.33Å; I219-M221 PolarHBondContact O-N 3.08Å; I219-V222 PolarHBondContact O-N 3.25Å; I219-A223 WeakPolarHBondContact O-CB 3.49Å; I219-A223 PolarHBondContact O-N 2.96Å |
| 220 | H | 93.3 | Very high | 94.9 | Very high | 41 Ų | 41 | 47 Ų | 47 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -40.8 | 176.8 | -176.5 | -150.7 | 0 | 0 | 0 | 111.4 | H215 S217 I218 N224 | H215-H220 AromaticContact CD2-ND1 3.76Å; S217-H220 PolarHBondContact O-N 3.06Å; S217-H220 WeakPolarHBondContact OG-CB 3.49Å; S217-H220 PolarHBondContact OG-N 3.11Å; I218-H220 VanDerWaalsContact C-N 3.34Å; I218-H220 PolarHBondContact O-N 3.32Å; H220-N224 PolarHBondContact CD2-ND2 2.98Å; H220-N224 PolarHBondContact NE2-ND2 3.23Å; H220-N224 PolarHBondContact O-N 3.47Å; H220-N224 PolarHBondContact O-ND2 2.87Å |
| 221 | M | 95.4 | Very high | 94.9 | Very high | 27 Ų | 27 | 46 Ų | 46 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.3 | -49.9 | 174.5 | -172.2 | -176.4 | 72.4 | 0 | 0 | 111.7 | N175 L179 H215 S217 I218 I219 A223 N224 M225 | N175-M221 HydrophobicContact CB-SD 4.43Å; L179-M221 HydrophobicContact CB-SD 3.92Å; L179-M221 HydrophobicContact CD2-CE 3.47Å; L179-M221 VanDerWaalsContact CD2-CE 3.47Å; L179-M221 HydrophobicContact CD2-SD 3.52Å; L179-M221 VanDerWaalsContact CD2-SD 3.52Å; L179-M221 HydrophobicContact CG-SD 4.27Å; H215-M221 HydrophobicContact CB-CB 3.81Å; H215-M221 HydrophobicContact CB-CG 4.36Å; S217-M221 PolarHBondContact O-N 2.92Å; S217-M221 VanDerWaalsContact O-N 3.11Å; I218-M221 WeakPolarHBondContact O-CB 3.26Å; I218-M221 PolarHBondContact O-N 3.42Å; I218-M221 VanDerWaalsContact O-N 3.16Å; I219-M221 VanDerWaalsContact C-N 3.33Å; I219-M221 PolarHBondContact O-N 3.08Å; M221-A223 VanDerWaalsContact C-N 3.32Å; M221-A223 PolarHBondContact O-N 3.36Å; M221-N224 PolarHBondContact O-N 2.97Å; M221-M225 HydrophobicContact CG-CG 4.04Å; M221-M225 WeakPolarHBondContact O-CB 3.24Å; M221-M225 VanDerWaalsContact O-CG 3.28Å; M221-M225 WeakPolarHBondContact O-CG 3.35Å; M221-M225 PolarHBondContact O-N 3.12Å |
| 222 | V | 96.1 | Very high | 94.9 | Very high | 83 Ų | 83 | 45.9 Ų | 45.9 | 50% | 0.503 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.7 | -44.6 | -179.1 | 169.3 | 0 | 0 | 0 | 0 | 110.8 | I218 I219 N224 M225 Y226 | I218-V222 HydrophobicContact CG2-CG2 4.04Å; I218-V222 WeakPolarHBondContact O-CG2 3.3Å; I218-V222 PolarHBondContact O-N 3.29Å; I219-V222 PolarHBondContact O-N 3.25Å; V222-N224 PolarHBondContact O-N 2.84Å; V222-M225 PolarHBondContact O-N 3.2Å; V222-Y226 WeakPolarHBondContact O-CB 3.27Å; V222-Y226 PolarHBondContact O-N 2.8Å |
| 223 | A | 94.1 | Very high | 94.9 | Very high | 54 Ų | 54 | 47.4 Ų | 47.4 | 45% | 0.446 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60 | -46.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | I219 M221 Y226 V227 | I219-A223 WeakPolarHBondContact O-CB 3.49Å; I219-A223 PolarHBondContact O-N 2.96Å; M221-A223 VanDerWaalsContact C-N 3.32Å; M221-A223 PolarHBondContact O-N 3.36Å; A223-Y226 PolarHBondContact O-N 3.48Å; A223-V227 WeakPolarHBondContact O-CG2 3.39Å; A223-V227 PolarHBondContact O-N 2.91Å |
| 224 | N | 96.3 | Very high | 94.8 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 6% | 0.059 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 177.6 | -85.2 | -80.6 | 0 | 0 | 0 | 112.4 | H220 M221 V222 Y226 V227 L228 A275 S276 V279 | H220-N224 PolarHBondContact CD2-ND2 2.98Å; H220-N224 PolarHBondContact NE2-ND2 3.23Å; H220-N224 PolarHBondContact O-N 3.47Å; H220-N224 PolarHBondContact O-ND2 2.87Å; M221-N224 PolarHBondContact O-N 2.97Å; V222-N224 PolarHBondContact O-N 2.84Å; N224-Y226 VanDerWaalsContact C-N 3.3Å; N224-Y226 PolarHBondContact O-N 3.37Å; N224-V227 PolarHBondContact O-N 3.24Å; N224-L228 WeakPolarHBondContact O-CB 3.36Å; N224-L228 PolarHBondContact O-N 3.46Å; N224-A275 HydrophobicContact CB-CB 4.38Å; N224-S276 WeakPolarHBondContact OD1-CA 3.33Å; N224-S276 VanDerWaalsContact OD1-CB 3.23Å; N224-S276 WeakPolarHBondContact OD1-CB 3.26Å; N224-S276 PolarHBondContact OD1-N 3.48Å; N224-S276 VanDerWaalsContact OD1-N 3.08Å; N224-V279 HydrophobicContact CB-CG2 4.49Å |
| 225 | M | 97.6 | Very high | 94.8 | Very high | 13 Ų | 13 | 47.5 Ų | 47.5 | 6% | 0.064 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69 | -32 | -177.5 | -65 | -52 | 100.5 | 0 | 0 | 111.5 | I172 N175 M221 V222 L228 W229 A275 | I172-M225 HydrophobicContact CB-SD 4.18Å; I172-M225 HydrophobicContact CD1-CB 4.41Å; I172-M225 HydrophobicContact CG1-CB 3.99Å; I172-M225 HydrophobicContact CG1-CG 4Å; I172-M225 HydrophobicContact CG1-SD 3.58Å; I172-M225 VanDerWaalsContact CG1-SD 3.58Å; I172-M225 HydrophobicContact CG2-CG 4.36Å; N175-M225 HydrophobicContact CB-CE 4.46Å; N175-M225 HydrophobicContact CB-SD 4.09Å; M221-M225 HydrophobicContact CG-CG 4.04Å; M221-M225 WeakPolarHBondContact O-CB 3.24Å; M221-M225 VanDerWaalsContact O-CG 3.28Å; M221-M225 WeakPolarHBondContact O-CG 3.35Å; M221-M225 PolarHBondContact O-N 3.12Å; V222-M225 PolarHBondContact O-N 3.2Å; M225-L228 PolarHBondContact O-N 3.08Å; M225-L228 HydrophobicContact SD-CD2 4.33Å; M225-W229 WeakPolarHBondContact O-CB 3.23Å; M225-W229 PolarHBondContact O-N 3.38Å; M225-A275 HydrophobicContact CE-CB 3.76Å |
| 226 | Y | 96 | Very high | 94.9 | Very high | 103 Ų | 103 | 47.9 Ų | 47.9 | 40% | 0.404 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 173.3 | 172.2 | -99.9 | 0 | 0 | 0 | 112 | V222 A223 N224 W229 T230 I298 | V222-Y226 WeakPolarHBondContact O-CB 3.27Å; V222-Y226 PolarHBondContact O-N 2.8Å; A223-Y226 PolarHBondContact O-N 3.48Å; N224-Y226 VanDerWaalsContact C-N 3.3Å; N224-Y226 PolarHBondContact O-N 3.37Å; Y226-W229 PolarHBondContact O-N 2.88Å; Y226-T230 WeakPolarHBondContact O-CB 3.12Å; Y226-T230 PolarHBondContact O-N 3.45Å; Y226-T230 PolarHBondContact O-OG1 3.48Å; Y226-I298 HydrophobicContact CD1-CD1 4.43Å; Y226-I298 HydrophobicContact CD2-CD1 4.22Å; Y226-I298 HydrophobicContact CE1-CD1 3.67Å; Y226-I298 HydrophobicContact CE1-CG1 4.37Å; Y226-I298 HydrophobicContact CE2-CD1 3.43Å; Y226-I298 VanDerWaalsContact CE2-CD1 3.43Å; Y226-I298 HydrophobicContact CE2-CG1 4.28Å; Y226-I298 WeakPolarHBondContact OH-CD1 3.46Å; Y226-I298 WeakPolarHBondContact OH-CG1 3.18Å |
| 227 | V | 95.6 | Very high | 95.5 | Very high | 40 Ų | 40 | 47.1 Ų | 47.1 | 24% | 0.242 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.7 | -46.1 | 176.4 | 177 | 0 | 0 | 0 | 0 | 109.9 | A223 N224 W229 T230 F231 V279 L283 | A223-V227 WeakPolarHBondContact O-CG2 3.39Å; A223-V227 PolarHBondContact O-N 2.91Å; N224-V227 PolarHBondContact O-N 3.24Å; V227-W229 VanDerWaalsContact C-N 3.35Å; V227-W229 PolarHBondContact O-N 3.13Å; V227-T230 PolarHBondContact O-N 2.84Å; V227-F231 HydrophobicContact CG1-CD2 3.84Å; V227-F231 HydrophobicContact CG1-CE2 4.14Å; V227-F231 WeakPolarHBondContact O-CD2 3.42Å; V227-F231 PolarHBondContact O-N 3.33Å; V227-V279 HydrophobicContact CB-CG1 3.7Å; V227-V279 HydrophobicContact CG1-CG1 3.42Å; V227-V279 VanDerWaalsContact CG1-CG1 3.42Å; V227-L283 HydrophobicContact CG1-CB 4.49Å; V227-L283 HydrophobicContact CG1-CD1 3.82Å |
| 228 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.6 | -48.6 | 176.9 | -177 | 61.1 | 0 | 0 | 0 | 111.7 | A168 I171 N224 M225 T230 F231 S232 F244 Y248 V279 V282 | A168-L228 HydrophobicContact CB-CG 4.35Å; I171-L228 HydrophobicContact CB-CD2 4.03Å; I171-L228 HydrophobicContact CD1-CD2 4.25Å; I171-L228 HydrophobicContact CG2-CD2 3.59Å; N224-L228 WeakPolarHBondContact O-CB 3.36Å; N224-L228 PolarHBondContact O-N 3.46Å; M225-L228 PolarHBondContact O-N 3.08Å; M225-L228 HydrophobicContact SD-CD2 4.33Å; L228-T230 PolarHBondContact O-N 3.23Å; L228-F231 PolarHBondContact O-N 3.1Å; L228-S232 WeakPolarHBondContact O-CA 3.23Å; L228-S232 WeakPolarHBondContact O-CB 3.16Å; L228-S232 PolarHBondContact O-N 2.73Å; L228-F244 HydrophobicContact CD1-CE2 4.39Å; L228-F244 HydrophobicContact CD1-CZ 4.13Å; L228-Y248 HydrophobicContact CD1-CD2 4.1Å; L228-Y248 HydrophobicContact CD1-CE2 3.81Å; L228-Y248 HydrophobicContact CD2-CE2 4.04Å; L228-V279 HydrophobicContact CB-CG2 4.18Å; L228-V282 HydrophobicContact CD1-CG2 4.42Å |
| 229 | W | 97.1 | Very high | 95.9 | Very high | 74 Ų | 74 | 45 Ų | 45 | 28% | 0.28 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -57 | -49.5 | 178.1 | 179.9 | -93.6 | 0 | 0 | 0 | 111.6 | L161 Q165 T169 I172 M225 Y226 V227 F231 S232 | L161-W229 HydrophobicContact CD1-CH2 3.88Å; L161-W229 HydrophobicContact CD2-CH2 3.64Å; L161-W229 HydrophobicContact CD2-CZ2 3.79Å; L161-W229 HydrophobicContact CG-CH2 4.39Å; Q165-W229 HydrophobicContact CB-CE3 4.36Å; Q165-W229 HydrophobicContact CB-CH2 3.79Å; Q165-W229 HydrophobicContact CB-CZ2 4.04Å; Q165-W229 HydrophobicContact CB-CZ3 3.95Å; Q165-W229 HydrophobicContact CG-CD2 4.11Å; Q165-W229 HydrophobicContact CG-CE3 4.32Å; Q165-W229 HydrophobicContact CG-CH2 4.05Å; Q165-W229 HydrophobicContact CG-CZ2 3.78Å; Q165-W229 HydrophobicContact CG-CZ3 4.29Å; T169-W229 WeakPolarHBondContact OG1-CZ3 3.31Å; I172-W229 HydrophobicContact CD1-CE3 3.84Å; I172-W229 HydrophobicContact CD1-CZ3 4.49Å; M225-W229 WeakPolarHBondContact O-CB 3.23Å; M225-W229 PolarHBondContact O-N 3.38Å; Y226-W229 PolarHBondContact O-N 2.88Å; V227-W229 VanDerWaalsContact C-N 3.35Å; V227-W229 PolarHBondContact O-N 3.13Å; W229-F231 PolarHBondContact O-N 3.29Å; W229-S232 PolarHBondContact O-N 2.84Å; W229-S232 PolarHBondContact O-OG 2.92Å |
| 230 | T | 94.2 | Very high | 96.1 | Very high | 64 Ų | 64 | 39.3 Ų | 39.3 | 39% | 0.393 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.8 | -42.8 | -177.3 | -58.2 | 0 | 0 | 0 | 0 | 112.3 | Y226 V227 L228 | Y226-T230 WeakPolarHBondContact O-CB 3.12Å; Y226-T230 PolarHBondContact O-N 3.45Å; Y226-T230 PolarHBondContact O-OG1 3.48Å; V227-T230 PolarHBondContact O-N 2.84Å; L228-T230 PolarHBondContact O-N 3.23Å |
| 231 | F | 95.9 | Very high | 96.2 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -92.3 | -7.2 | -177.3 | -71.6 | -86 | 0 | 0 | 0 | 114 | V227 L228 W229 S233 G234 I235 V282 L283 V286 L295 | V227-F231 HydrophobicContact CG1-CD2 3.84Å; V227-F231 HydrophobicContact CG1-CE2 4.14Å; V227-F231 WeakPolarHBondContact O-CD2 3.42Å; V227-F231 PolarHBondContact O-N 3.33Å; L228-F231 PolarHBondContact O-N 3.1Å; W229-F231 PolarHBondContact O-N 3.29Å; F231-S233 PolarHBondContact O-N 2.89Å; F231-G234 PolarHBondContact O-N 3.14Å; F231-I235 WeakPolarHBondContact O-CG2 3.13Å; F231-I235 PolarHBondContact O-N 3.24Å; F231-V282 HydrophobicContact CB-CG1 3.99Å; F231-L283 HydrophobicContact CD2-CD1 4.48Å; F231-L283 HydrophobicContact CE2-CD1 3.94Å; F231-L283 HydrophobicContact CE2-CG 4.2Å; F231-L283 HydrophobicContact CZ-CD1 4.25Å; F231-L283 HydrophobicContact CZ-CG 4.19Å; F231-V286 HydrophobicContact CD1-CB 3.92Å; F231-V286 HydrophobicContact CD1-CG1 3.85Å; F231-V286 HydrophobicContact CD1-CG2 4.33Å; F231-V286 HydrophobicContact CE1-CG1 4.31Å; F231-L295 HydrophobicContact CE1-CD1 4.33Å; F231-L295 HydrophobicContact CE1-CD2 4.09Å; F231-L295 HydrophobicContact CZ-CD1 3.84Å; F231-L295 HydrophobicContact CZ-CD2 3.94Å |
| 232 | S | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -45.3 | -175.5 | 63.9 | 0 | 0 | 0 | 0 | 113.4 | G164 Q165 L228 W229 G234 I235 V236 | G164-S232 WeakPolarHBondContact O-CB 3.48Å; Q165-S232 PolarHBondContact N-OG 2.93Å; L228-S232 WeakPolarHBondContact O-CA 3.23Å; L228-S232 WeakPolarHBondContact O-CB 3.16Å; L228-S232 PolarHBondContact O-N 2.73Å; W229-S232 PolarHBondContact O-N 2.84Å; W229-S232 PolarHBondContact O-OG 2.92Å; S232-G234 VanDerWaalsContact C-N 3.34Å; S232-G234 PolarHBondContact O-N 3.32Å; S232-I235 VanDerWaalsContact O-CG2 3.31Å; S232-I235 WeakPolarHBondContact O-CG2 3.31Å; S232-I235 PolarHBondContact O-N 3.21Å; S232-V236 WeakPolarHBondContact O-CB 3.42Å; S232-V236 WeakPolarHBondContact O-CG2 3.48Å; S232-V236 PolarHBondContact O-N 3.16Å |
| 233 | S | 96 | Very high | 96.4 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 26% | 0.259 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 178.3 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | T162 F231 S237 | T162-S233 PolarHBondContact OG1-OG 3.32Å; F231-S233 PolarHBondContact O-N 2.89Å; S233-S237 VanDerWaalsContact O-CB 3.22Å; S233-S237 WeakPolarHBondContact O-CB 3.23Å; S233-S237 PolarHBondContact O-N 3.23Å |
| 234 | G | 95.8 | Very high | 96.6 | Very high | 29 Ų | 29 | 33.3 Ų | 33.3 | 30% | 0.299 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.6 | -51 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | F231 S232 V236 S237 L238 | F231-G234 PolarHBondContact O-N 3.14Å; S232-G234 VanDerWaalsContact C-N 3.34Å; S232-G234 PolarHBondContact O-N 3.32Å; G234-V236 PolarHBondContact O-N 3.29Å; G234-S237 PolarHBondContact O-N 3.19Å; G234-L238 VanDerWaalsContact O-CG 3.27Å; G234-L238 WeakPolarHBondContact O-CG 3.18Å; G234-L238 PolarHBondContact O-N 2.95Å |
| 235 | I | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.9 | -36.6 | -177.6 | -166.2 | 61.6 | 0 | 0 | 0 | 112.8 | F231 S232 L238 L239 F244 V282 A285 V286 | F231-I235 WeakPolarHBondContact O-CG2 3.13Å; F231-I235 PolarHBondContact O-N 3.24Å; S232-I235 VanDerWaalsContact O-CG2 3.31Å; S232-I235 WeakPolarHBondContact O-CG2 3.31Å; S232-I235 PolarHBondContact O-N 3.21Å; I235-L238 PolarHBondContact O-N 3.24Å; I235-L239 HydrophobicContact CD1-CD1 3.62Å; I235-L239 HydrophobicContact CD1-CG 4.06Å; I235-L239 HydrophobicContact CG1-CD1 3.95Å; I235-L239 HydrophobicContact CG1-CG 4.48Å; I235-L239 WeakPolarHBondContact O-CB 3.24Å; I235-L239 PolarHBondContact O-N 2.95Å; I235-F244 HydrophobicContact CB-CD2 4.33Å; I235-F244 HydrophobicContact CG1-CD2 3.97Å; I235-F244 HydrophobicContact CG2-CD2 3.36Å; I235-F244 HydrophobicContact CG2-CE2 3.57Å; I235-F244 HydrophobicContact CG2-CG 4.12Å; I235-F244 HydrophobicContact CG2-CZ 4.47Å; I235-V282 HydrophobicContact CB-CG1 3.97Å; I235-V282 HydrophobicContact CG1-CG1 4.29Å; I235-V282 HydrophobicContact CG2-CG1 3.75Å; I235-A285 HydrophobicContact CD1-CB 3.73Å; I235-V286 HydrophobicContact CB-CG2 3.78Å; I235-V286 HydrophobicContact CD1-CG2 4.11Å; I235-V286 HydrophobicContact CG1-CG2 4.49Å |
| 236 | V | 97.8 | Very high | 96.7 | Very high | 8 Ų | 8 | 35.4 Ų | 35.4 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72 | -33.8 | 176.8 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | E163 S232 G234 L238 L239 G240 K241 F244 | E163-V236 HydrophobicContact CB-CG1 4.32Å; E163-V236 HydrophobicContact CG-CG1 4.25Å; S232-V236 WeakPolarHBondContact O-CB 3.42Å; S232-V236 WeakPolarHBondContact O-CG2 3.48Å; S232-V236 PolarHBondContact O-N 3.16Å; G234-V236 PolarHBondContact O-N 3.29Å; V236-L238 VanDerWaalsContact C-N 3.29Å; V236-L238 PolarHBondContact O-N 3.47Å; V236-L239 PolarHBondContact O-N 3.11Å; V236-G240 WeakPolarHBondContact O-CA 3Å; V236-G240 PolarHBondContact O-N 3.18Å; V236-K241 HydrophobicContact CG1-CB 4.16Å; V236-F244 HydrophobicContact CG2-CB 3.75Å; V236-F244 HydrophobicContact CG2-CD1 3.51Å; V236-F244 HydrophobicContact CG2-CD2 4.38Å; V236-F244 HydrophobicContact CG2-CE1 4.2Å; V236-F244 HydrophobicContact CG2-CG 3.61Å |
| 237 | S | 95.8 | Very high | 96.8 | Very high | 107 Ų | 107 | 30.6 Ų | 30.6 | 75% | 0.748 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -62.5 | -38.3 | 170 | -176.7 | 0 | 0 | 0 | 0 | 111.8 | S233 G234 | S233-S237 VanDerWaalsContact O-CB 3.22Å; S233-S237 WeakPolarHBondContact O-CB 3.23Å; S233-S237 PolarHBondContact O-N 3.23Å; G234-S237 PolarHBondContact O-N 3.19Å |
| 238 | L | 94.9 | Very high | 97 | Very high | 73 Ų | 73 | 28.8 Ų | 28.8 | 38% | 0.382 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -72.6 | -35.1 | 179.2 | -70.1 | 170.7 | 0 | 0 | 0 | 114 | G234 I235 V236 V286 K289 | G234-L238 VanDerWaalsContact O-CG 3.27Å; G234-L238 WeakPolarHBondContact O-CG 3.18Å; G234-L238 PolarHBondContact O-N 2.95Å; I235-L238 PolarHBondContact O-N 3.24Å; V236-L238 VanDerWaalsContact C-N 3.29Å; V236-L238 PolarHBondContact O-N 3.47Å; L238-V286 HydrophobicContact CD1-CG2 4.33Å; L238-K289 HydrophobicContact CD1-CB 3.86Å; L238-K289 HydrophobicContact CD1-CG 4.1Å; L238-K289 HydrophobicContact CD2-CB 4.28Å; L238-K289 HydrophobicContact CD2-CG 4.47Å |
| 239 | L | 96.4 | Very high | 97 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 8% | 0.084 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -120.8 | -21.7 | -167.7 | -59.2 | -176.1 | 0 | 0 | 0 | 114.5 | I235 V236 Q243 V247 Y344 | I235-L239 HydrophobicContact CD1-CD1 3.62Å; I235-L239 HydrophobicContact CD1-CG 4.06Å; I235-L239 HydrophobicContact CG1-CD1 3.95Å; I235-L239 HydrophobicContact CG1-CG 4.48Å; I235-L239 WeakPolarHBondContact O-CB 3.24Å; I235-L239 PolarHBondContact O-N 2.95Å; V236-L239 PolarHBondContact O-N 3.11Å; L239-Q243 HydrophobicContact CB-CB 3.97Å; L239-Q243 HydrophobicContact CB-CG 3.98Å; L239-Q243 HydrophobicContact CD1-CG 4.44Å; L239-Q243 VanDerWaalsContact O-CB 3.24Å; L239-Q243 WeakPolarHBondContact O-CB 3.28Å; L239-Q243 PolarHBondContact O-OE1 2.97Å; L239-V247 HydrophobicContact CD1-CG2 3.98Å; L239-Y344 HydrophobicContact CD1-CD1 4.43Å; L239-Y344 HydrophobicContact CD1-CE1 3.96Å; L239-Y344 HydrophobicContact CD2-CE1 4.13Å |
| 240 | G | 96.8 | Very high | 97.1 | Very high | 22 Ų | 22 | 27.2 Ų | 27.2 | 23% | 0.227 | 17% | 0.166 | C | C | . | . | trans | 79 | 158.4 | -161.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V236 E242 F244 | V236-G240 WeakPolarHBondContact O-CA 3Å; V236-G240 PolarHBondContact O-N 3.18Å; G240-E242 PolarHBondContact O-N 2.95Å; G240-F244 VanDerWaalsContact O-CB 3.26Å; G240-F244 WeakPolarHBondContact O-CB 3.33Å; G240-F244 PolarHBondContact O-N 3.41Å | ||
| 241 | K | 96.8 | Very high | 97.3 | Very high | 50 Ų | 50 | 24.2 Ų | 24.2 | 22% | 0.217 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.4 | -37 | -170.9 | 65.9 | 179 | 170.4 | -148.7 | 0 | 113.7 | E163 T167 V236 F244 L245 | E163-K241 HydrophobicContact CG-CB 4.42Å; E163-K241 HydrophobicContact CG-CD 4.16Å; E163-K241 VanDerWaalsContact OE1-CD 3.29Å; E163-K241 WeakPolarHBondContact OE1-CD 3.35Å; E163-K241 WeakPolarHBondContact OE1-CE 3.31Å; E163-K241 IonicContact OE1-NZ 3.78Å; E163-K241 PolarHBondContact OE1-NZ 3.22Å; T167-K241 HydrophobicContact CG2-CB 4.34Å; V236-K241 HydrophobicContact CG1-CB 4.16Å; K241-F244 PolarHBondContact O-N 2.82Å; K241-L245 PolarHBondContact O-N 2.98Å |
| 242 | E | 97.2 | Very high | 97.4 | Very high | 26 Ų | 26 | 23.1 Ų | 23.1 | 12% | 0.121 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.6 | -45.6 | -177.5 | -59.7 | 80.4 | -174.4 | 0 | 0 | 110.1 | A99 Q103 G240 F244 L245 A246 | A99-E242 HydrophobicContact CB-CB 4.33Å; A99-E242 WeakPolarHBondContact CB-O 3.36Å; Q103-E242 HydrophobicContact CB-CB 4.06Å; Q103-E242 HydrophobicContact CB-CG 3.96Å; G240-E242 PolarHBondContact O-N 2.95Å; E242-F244 VanDerWaalsContact C-N 3.35Å; E242-L245 PolarHBondContact O-N 3.12Å; E242-A246 PolarHBondContact O-N 3.42Å; E242-A246 VanDerWaalsContact O-N 3.11Å |
| 243 | Q | 97.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.009 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.2 | -42.5 | 174.9 | -169.4 | 175.1 | 17 | 0 | 0 | 111.2 | L239 L245 A246 V247 Y344 H349 W353 | L239-Q243 HydrophobicContact CB-CB 3.97Å; L239-Q243 HydrophobicContact CB-CG 3.98Å; L239-Q243 HydrophobicContact CD1-CG 4.44Å; L239-Q243 VanDerWaalsContact O-CB 3.24Å; L239-Q243 WeakPolarHBondContact O-CB 3.28Å; L239-Q243 PolarHBondContact O-OE1 2.97Å; Q243-L245 VanDerWaalsContact C-N 3.34Å; Q243-L245 PolarHBondContact O-N 3.46Å; Q243-A246 PolarHBondContact O-N 3.48Å; Q243-V247 VanDerWaalsContact O-CG2 3.31Å; Q243-V247 WeakPolarHBondContact O-CG2 3.42Å; Q243-V247 PolarHBondContact O-N 3.36Å; Q243-Y344 VanDerWaalsContact CG-OH 3.26Å; Q243-Y344 WeakPolarHBondContact CG-OH 3.25Å; Q243-Y344 PolarHBondContact NE2-OH 2.79Å; Q243-H349 PolarHBondContact NE2-ND1 3.47Å; Q243-H349 PolarHBondContact OE1-ND1 2.74Å; Q243-W353 HydrophobicContact CB-CD2 4.07Å; Q243-W353 HydrophobicContact CB-CE3 4.2Å; Q243-W353 HydrophobicContact CB-CH2 3.72Å; Q243-W353 HydrophobicContact CB-CZ2 3.55Å; Q243-W353 HydrophobicContact CB-CZ3 4.04Å; Q243-W353 VanDerWaalsContact CD-CD1 3.46Å; Q243-W353 VanDerWaalsContact CD-CD2 3.43Å; Q243-W353 HydrophobicContact CG-CD2 3.62Å; Q243-W353 HydrophobicContact CG-CE3 3.76Å; Q243-W353 HydrophobicContact CG-CG 4.09Å; Q243-W353 HydrophobicContact CG-CH2 4.22Å; Q243-W353 HydrophobicContact CG-CZ2 4.09Å; Q243-W353 HydrophobicContact CG-CZ3 4.06Å; Q243-W353 VanDerWaalsContact NE2-CD1 3.34Å |
| 244 | F | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.1 | -47.6 | 174.7 | 157.3 | -111.5 | 0 | 0 | 0 | 111.7 | T167 I171 L228 I235 V236 G240 K241 E242 A246 V247 Y248 V282 | T167-F244 HydrophobicContact CG2-CD1 3.78Å; T167-F244 HydrophobicContact CG2-CE1 3.69Å; I171-F244 HydrophobicContact CD1-CE1 3.92Å; I171-F244 HydrophobicContact CD1-CZ 3.82Å; L228-F244 HydrophobicContact CD1-CE2 4.39Å; L228-F244 HydrophobicContact CD1-CZ 4.13Å; I235-F244 HydrophobicContact CB-CD2 4.33Å; I235-F244 HydrophobicContact CG1-CD2 3.97Å; I235-F244 HydrophobicContact CG2-CD2 3.36Å; I235-F244 HydrophobicContact CG2-CE2 3.57Å; I235-F244 HydrophobicContact CG2-CG 4.12Å; I235-F244 HydrophobicContact CG2-CZ 4.47Å; V236-F244 HydrophobicContact CG2-CB 3.75Å; V236-F244 HydrophobicContact CG2-CD1 3.51Å; V236-F244 HydrophobicContact CG2-CD2 4.38Å; V236-F244 HydrophobicContact CG2-CE1 4.2Å; V236-F244 HydrophobicContact CG2-CG 3.61Å; G240-F244 VanDerWaalsContact O-CB 3.26Å; G240-F244 WeakPolarHBondContact O-CB 3.33Å; G240-F244 PolarHBondContact O-N 3.41Å; K241-F244 PolarHBondContact O-N 2.82Å; E242-F244 VanDerWaalsContact C-N 3.35Å; F244-A246 VanDerWaalsContact C-N 3.33Å; F244-A246 PolarHBondContact O-N 3Å; F244-V247 PolarHBondContact O-N 3.47Å; F244-Y248 HydrophobicContact CE2-CD2 4.46Å; F244-Y248 WeakPolarHBondContact O-CB 3.43Å; F244-Y248 PolarHBondContact O-N 3.5Å; F244-V282 HydrophobicContact CD2-CG2 4.46Å; F244-V282 HydrophobicContact CE2-CG2 3.86Å |
| 245 | L | 98.1 | Very high | 97.7 | Very high | 67 Ų | 67 | 22 Ų | 22 | 35% | 0.351 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -63.1 | -40.8 | -179.9 | -171 | 63.1 | 0 | 0 | 0 | 111.4 | I171 K241 E242 Q243 Y248 L249 | I171-L245 HydrophobicContact CD1-CD1 4.24Å; I171-L245 HydrophobicContact CG1-CD1 4.42Å; K241-L245 PolarHBondContact O-N 2.98Å; E242-L245 PolarHBondContact O-N 3.12Å; Q243-L245 VanDerWaalsContact C-N 3.34Å; Q243-L245 PolarHBondContact O-N 3.46Å; L245-Y248 PolarHBondContact O-N 3.27Å; L245-L249 HydrophobicContact CD1-CD1 4.43Å; L245-L249 HydrophobicContact CD1-CG 4.44Å; L245-L249 HydrophobicContact CG-CD1 4.1Å; L245-L249 HydrophobicContact CG-CG 4.5Å; L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 VanDerWaalsContact O-CG 3.28Å; L245-L249 WeakPolarHBondContact O-CG 3.39Å; L245-L249 PolarHBondContact O-N 3.06Å |
| 246 | A | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 2% | 0.017 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | S95 F96 A99 E242 Q243 F244 S250 | S95-A246 WeakPolarHBondContact OG-CA 3.21Å; F96-A246 HydrophobicContact CD1-CB 3.63Å; F96-A246 HydrophobicContact CE1-CB 3.74Å; F96-A246 HydrophobicContact CG-CB 4.22Å; F96-A246 HydrophobicContact CZ-CB 4.45Å; A99-A246 HydrophobicContact CB-CB 3.63Å; E242-A246 PolarHBondContact O-N 3.42Å; E242-A246 VanDerWaalsContact O-N 3.11Å; Q243-A246 PolarHBondContact O-N 3.48Å; F244-A246 VanDerWaalsContact C-N 3.33Å; F244-A246 PolarHBondContact O-N 3Å; A246-S250 WeakPolarHBondContact O-CB 3.25Å; A246-S250 PolarHBondContact O-N 3.5Å; A246-S250 PolarHBondContact O-OG 3.38Å |
| 247 | V | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.6 | -46.7 | 174.7 | 170.5 | 0 | 0 | 0 | 0 | 110.6 | F96 L239 Q243 F244 S250 A251 F340 Y344 | F96-V247 HydrophobicContact CE1-CG2 3.87Å; F96-V247 HydrophobicContact CZ-CG2 3.89Å; L239-V247 HydrophobicContact CD1-CG2 3.98Å; Q243-V247 VanDerWaalsContact O-CG2 3.31Å; Q243-V247 WeakPolarHBondContact O-CG2 3.42Å; Q243-V247 PolarHBondContact O-N 3.36Å; F244-V247 PolarHBondContact O-N 3.47Å; V247-S250 PolarHBondContact O-N 2.74Å; V247-A251 WeakPolarHBondContact O-CB 3.43Å; V247-A251 PolarHBondContact O-N 2.97Å; V247-F340 HydrophobicContact CG1-CE1 4.1Å; V247-Y344 HydrophobicContact CG1-CD1 4.44Å; V247-Y344 HydrophobicContact CG2-CD1 3.63Å; V247-Y344 HydrophobicContact CG2-CD2 4.28Å; V247-Y344 HydrophobicContact CG2-CE1 3.17Å; V247-Y344 HydrophobicContact CG2-CE2 3.91Å; V247-Y344 HydrophobicContact CG2-CG 4.14Å |
| 248 | Y | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.8 | -48.7 | -179.5 | -177.7 | -90.2 | 0 | 0 | 0 | 111.8 | I171 F213 L228 F244 L245 A251 G252 A275 A278 V279 V282 | I171-Y248 HydrophobicContact CD1-CD1 4Å; I171-Y248 HydrophobicContact CD1-CD2 4.36Å; I171-Y248 HydrophobicContact CD1-CE1 4.11Å; I171-Y248 HydrophobicContact CD1-CE2 4.46Å; I171-Y248 HydrophobicContact CD1-CG 4.13Å; I171-Y248 HydrophobicContact CG2-CE1 3.82Å; I171-Y248 HydrophobicContact CG2-CE2 4.5Å; I171-Y248 WeakPolarHBondContact CG2-OH 3.19Å; F213-Y248 HydrophobicContact CE1-CE1 4.26Å; F213-Y248 HydrophobicContact CZ-CE1 4.14Å; L228-Y248 HydrophobicContact CD1-CD2 4.1Å; L228-Y248 HydrophobicContact CD1-CE2 3.81Å; L228-Y248 HydrophobicContact CD2-CE2 4.04Å; F244-Y248 HydrophobicContact CE2-CD2 4.46Å; F244-Y248 WeakPolarHBondContact O-CB 3.43Å; F244-Y248 PolarHBondContact O-N 3.5Å; L245-Y248 PolarHBondContact O-N 3.27Å; Y248-A251 PolarHBondContact O-N 3.47Å; Y248-G252 PolarHBondContact O-N 3Å; Y248-G252 VanDerWaalsContact O-N 3.08Å; Y248-A275 WeakPolarHBondContact OH-CB 3.18Å; Y248-A278 HydrophobicContact CD1-CB 4.38Å; Y248-A278 HydrophobicContact CD2-CB 3.81Å; Y248-A278 HydrophobicContact CE1-CB 4.22Å; Y248-A278 HydrophobicContact CE2-CB 3.63Å; Y248-A278 HydrophobicContact CG-CB 4.19Å; Y248-A278 WeakPolarHBondContact O-CB 3.12Å; Y248-V279 HydrophobicContact CE2-CG2 4.32Å; Y248-V282 HydrophobicContact CD2-CG2 4.05Å |
| 249 | L | 98.5 | Very high | 97.9 | Very high | 42 Ų | 42 | 16.7 Ų | 16.7 | 22% | 0.22 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.3 | -44.9 | 179 | -69 | 174.6 | 0 | 0 | 0 | 111.8 | F91 F213 L245 A251 G252 V253 | F91-L249 HydrophobicContact CE1-CB 3.98Å; F91-L249 HydrophobicContact CZ-CB 4.25Å; F213-L249 HydrophobicContact CE2-CD2 3.88Å; F213-L249 HydrophobicContact CZ-CD2 3.67Å; L245-L249 HydrophobicContact CD1-CD1 4.43Å; L245-L249 HydrophobicContact CD1-CG 4.44Å; L245-L249 HydrophobicContact CG-CD1 4.1Å; L245-L249 HydrophobicContact CG-CG 4.5Å; L245-L249 WeakPolarHBondContact O-CB 3.41Å; L245-L249 VanDerWaalsContact O-CG 3.28Å; L245-L249 WeakPolarHBondContact O-CG 3.39Å; L245-L249 PolarHBondContact O-N 3.06Å; L249-A251 VanDerWaalsContact C-N 3.34Å; L249-A251 PolarHBondContact O-N 3.19Å; L249-G252 PolarHBondContact O-N 3.05Å; L249-V253 PolarHBondContact O-N 2.82Å |
| 250 | S | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.7 | -41.2 | 177.3 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | A246 V247 G252 V253 I254 | A246-S250 WeakPolarHBondContact O-CB 3.25Å; A246-S250 PolarHBondContact O-N 3.5Å; A246-S250 PolarHBondContact O-OG 3.38Å; V247-S250 PolarHBondContact O-N 2.74Å; S250-G252 VanDerWaalsContact C-N 3.33Å; S250-G252 PolarHBondContact O-N 3.47Å; S250-V253 PolarHBondContact O-N 2.94Å; S250-I254 WeakPolarHBondContact O-CB 3.4Å; S250-I254 WeakPolarHBondContact O-CD1 3.18Å; S250-I254 VanDerWaalsContact O-CG1 3.23Å; S250-I254 WeakPolarHBondContact O-CG1 3.45Å; S250-I254 PolarHBondContact O-N 2.99Å |
| 251 | A | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.9 | -39.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V247 Y248 L249 V253 S255 A278 A281 F340 | V247-A251 WeakPolarHBondContact O-CB 3.43Å; V247-A251 PolarHBondContact O-N 2.97Å; Y248-A251 PolarHBondContact O-N 3.47Å; L249-A251 VanDerWaalsContact C-N 3.34Å; L249-A251 PolarHBondContact O-N 3.19Å; A251-V253 PolarHBondContact O-N 3.18Å; A251-S255 WeakPolarHBondContact O-CB 3.34Å; A251-S255 PolarHBondContact O-N 3.35Å; A251-S255 PolarHBondContact O-OG 3.21Å; A251-A278 HydrophobicContact CB-CB 4.26Å; A251-A281 HydrophobicContact CB-CB 3.43Å; A251-A281 VanDerWaalsContact CB-CB 3.43Å; A251-F340 HydrophobicContact CB-CD1 3.59Å; A251-F340 HydrophobicContact CB-CE1 3.76Å |
| 252 | G | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.01 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S212 Y248 L249 S250 S255 T256 | S212-G252 VanDerWaalsContact OG-CA 3.3Å; S212-G252 WeakPolarHBondContact OG-CA 3.4Å; Y248-G252 PolarHBondContact O-N 3Å; Y248-G252 VanDerWaalsContact O-N 3.08Å; L249-G252 PolarHBondContact O-N 3.05Å; S250-G252 VanDerWaalsContact C-N 3.33Å; S250-G252 PolarHBondContact O-N 3.47Å; G252-S255 PolarHBondContact O-OG 3.46Å; G252-T256 WeakPolarHBondContact O-CB 3.39Å; G252-T256 PolarHBondContact O-N 2.87Å; G252-T256 VanDerWaalsContact O-N 3.15Å; G252-T256 PolarHBondContact O-OG1 3.47Å |
| 253 | V | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -73.2 | -41.9 | 179.3 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | F87 T88 F91 M208 I209 L249 S250 A251 T256 M257 | F87-V253 HydrophobicContact CD1-CG1 4.1Å; F87-V253 HydrophobicContact CE1-CG1 4.17Å; T88-V253 HydrophobicContact CG2-CG1 3.99Å; F91-V253 HydrophobicContact CD1-CB 4.16Å; F91-V253 HydrophobicContact CD1-CG2 3.46Å; F91-V253 VanDerWaalsContact CD1-CG2 3.46Å; F91-V253 HydrophobicContact CE1-CG2 3.63Å; F91-V253 HydrophobicContact CG-CG2 4.22Å; M208-V253 HydrophobicContact CB-CG1 3.95Å; M208-V253 HydrophobicContact CB-CG2 4.48Å; M208-V253 HydrophobicContact CE-CG1 3.86Å; M208-V253 WeakPolarHBondContact CE-O 3.26Å; M208-V253 HydrophobicContact SD-CG1 4.41Å; I209-V253 HydrophobicContact CB-CG2 4.37Å; I209-V253 HydrophobicContact CG1-CG2 3.43Å; I209-V253 VanDerWaalsContact CG1-CG2 3.43Å; L249-V253 PolarHBondContact O-N 2.82Å; S250-V253 PolarHBondContact O-N 2.94Å; A251-V253 PolarHBondContact O-N 3.18Å; V253-T256 PolarHBondContact O-N 3.48Å; V253-M257 PolarHBondContact O-N 2.91Å |
| 254 | I | 98.5 | Very high | 97.4 | Very high | 39 Ų | 39 | 17.1 Ų | 17.1 | 20% | 0.2 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.6 | -45.4 | 178.9 | -69.3 | 166.6 | 0 | 0 | 0 | 111.2 | T88 S250 T256 M257 V258 F340 | T88-I254 HydrophobicContact CG2-CB 4.4Å; T88-I254 HydrophobicContact CG2-CG1 3.59Å; S250-I254 WeakPolarHBondContact O-CB 3.4Å; S250-I254 WeakPolarHBondContact O-CD1 3.18Å; S250-I254 VanDerWaalsContact O-CG1 3.23Å; S250-I254 WeakPolarHBondContact O-CG1 3.45Å; S250-I254 PolarHBondContact O-N 2.99Å; I254-T256 VanDerWaalsContact C-N 3.33Å; I254-T256 PolarHBondContact O-N 3.12Å; I254-M257 WeakPolarHBondContact O-CB 3.24Å; I254-M257 PolarHBondContact O-N 3.11Å; I254-M257 VanDerWaalsContact O-N 3.13Å; I254-V258 WeakPolarHBondContact O-CG2 3.36Å; I254-V258 PolarHBondContact O-N 3.16Å; I254-F340 HydrophobicContact CD1-CD1 4.5Å; I254-F340 HydrophobicContact CD1-CD2 3.42Å; I254-F340 VanDerWaalsContact CD1-CD2 3.42Å; I254-F340 HydrophobicContact CD1-CE1 4.38Å; I254-F340 HydrophobicContact CD1-CE2 3.26Å; I254-F340 HydrophobicContact CD1-CG 4.05Å; I254-F340 HydrophobicContact CD1-CZ 3.8Å; I254-F340 HydrophobicContact CG2-CB 4.18Å; I254-F340 HydrophobicContact CG2-CD2 4.37Å; I254-F340 HydrophobicContact CG2-CG 4.37Å |
| 255 | S | 98.3 | Very high | 97.1 | Very high | 3 Ų | 3 | 21.2 Ų | 21.2 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -60.8 | -42.3 | 175.5 | 55.5 | 0 | 0 | 0 | 0 | 111.8 | A251 G252 M257 V258 S259 A333 | A251-S255 WeakPolarHBondContact O-CB 3.34Å; A251-S255 PolarHBondContact O-N 3.35Å; A251-S255 PolarHBondContact O-OG 3.21Å; G252-S255 PolarHBondContact O-OG 3.46Å; S255-M257 VanDerWaalsContact C-N 3.3Å; S255-M257 PolarHBondContact O-N 3.41Å; S255-V258 PolarHBondContact O-N 3.33Å; S255-S259 PolarHBondContact O-N 2.93Å; S255-A333 WeakPolarHBondContact CB-O 3.38Å; S255-A333 WeakPolarHBondContact O-CA 3.35Å |
| 256 | T | 97.8 | Very high | 96.7 | Very high | 9 Ų | 9 | 21.3 Ų | 21.3 | 6% | 0.055 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.4 | -37.6 | 174.3 | -56 | 0 | 0 | 0 | 0 | 111.8 | M208 G252 V253 I254 S259 Y260 | M208-T256 HydrophobicContact CB-CG2 4.03Å; M208-T256 HydrophobicContact CG-CG2 3.9Å; M208-T256 PolarHBondContact O-OG1 3.4Å; G252-T256 WeakPolarHBondContact O-CB 3.39Å; G252-T256 PolarHBondContact O-N 2.87Å; G252-T256 VanDerWaalsContact O-N 3.15Å; G252-T256 PolarHBondContact O-OG1 3.47Å; V253-T256 PolarHBondContact O-N 3.48Å; I254-T256 VanDerWaalsContact C-N 3.33Å; I254-T256 PolarHBondContact O-N 3.12Å; T256-S259 WeakPolarHBondContact O-CB 3.47Å; T256-S259 PolarHBondContact O-N 3.49Å; T256-Y260 HydrophobicContact CG2-CD1 4.02Å; T256-Y260 HydrophobicContact CG2-CE1 3.65Å; T256-Y260 WeakPolarHBondContact O-CD1 3.27Å; T256-Y260 PolarHBondContact O-N 3.43Å |
| 257 | M | 97.9 | Very high | 96.3 | Very high | 15 Ų | 15 | 23.5 Ų | 23.5 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.2 | -45.1 | 174.7 | -172.7 | 61.5 | -154.1 | 0 | 0 | 111.7 | L81 P84 L85 T88 M208 V253 I254 S255 S259 Y260 V261 | L81-M257 HydrophobicContact CB-CE 4.05Å; P84-M257 HydrophobicContact CB-CE 4.37Å; P84-M257 HydrophobicContact CB-SD 3.59Å; P84-M257 VanDerWaalsContact CB-SD 3.59Å; L85-M257 HydrophobicContact CB-CE 3.86Å; L85-M257 HydrophobicContact CB-SD 4.38Å; L85-M257 HydrophobicContact CD1-CE 4.25Å; T88-M257 HydrophobicContact CG2-CB 4.27Å; M208-M257 HydrophobicContact CE-CB 3.66Å; M208-M257 HydrophobicContact CE-CG 4.37Å; M208-M257 HydrophobicContact CE-SD 3.98Å; V253-M257 PolarHBondContact O-N 2.91Å; I254-M257 WeakPolarHBondContact O-CB 3.24Å; I254-M257 PolarHBondContact O-N 3.11Å; I254-M257 VanDerWaalsContact O-N 3.13Å; S255-M257 VanDerWaalsContact C-N 3.3Å; S255-M257 PolarHBondContact O-N 3.41Å; M257-S259 VanDerWaalsContact C-N 3.31Å; M257-S259 PolarHBondContact O-N 2.73Å; M257-Y260 WeakPolarHBondContact O-CB 3.2Å; M257-Y260 PolarHBondContact O-N 2.89Å; M257-Y260 VanDerWaalsContact O-N 3.12Å; M257-V261 HydrophobicContact CE-CG2 3.86Å; M257-V261 WeakPolarHBondContact O-CG2 3.46Å; M257-V261 PolarHBondContact O-N 3.23Å |
| 258 | V | 97.7 | Very high | 95.7 | Very high | 53 Ų | 53 | 30.4 Ų | 30.4 | 32% | 0.321 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 175.6 | 174.9 | 0 | 0 | 0 | 0 | 110.8 | I254 S255 Y260 V261 C262 A332 | I254-V258 WeakPolarHBondContact O-CG2 3.36Å; I254-V258 PolarHBondContact O-N 3.16Å; S255-V258 PolarHBondContact O-N 3.33Å; V258-Y260 VanDerWaalsContact C-N 3.35Å; V258-Y260 PolarHBondContact O-N 3.03Å; V258-V261 PolarHBondContact O-N 3.41Å; V258-C262 PolarHBondContact O-N 3.34Å; V258-A332 WeakPolarHBondContact CG1-O 3.45Å |
| 259 | S | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.4 | -42.6 | 172.5 | 175.7 | 0 | 0 | 0 | 0 | 112.5 | S255 T256 M257 C262 K263 D330 | S255-S259 PolarHBondContact O-N 2.93Å; T256-S259 WeakPolarHBondContact O-CB 3.47Å; T256-S259 PolarHBondContact O-N 3.49Å; M257-S259 VanDerWaalsContact C-N 3.31Å; M257-S259 PolarHBondContact O-N 2.73Å; S259-C262 PolarHBondContact O-N 2.88Å; S259-K263 WeakPolarHBondContact O-CB 3.37Å; S259-K263 VanDerWaalsContact O-CG 3.27Å; S259-K263 WeakPolarHBondContact O-CG 3.46Å; S259-K263 PolarHBondContact O-N 3.29Å; S259-K263 WeakPolarHBondContact OG-CE 3.26Å; S259-K263 PolarHBondContact OG-NZ 2.96Å; S259-D330 WeakPolarHBondContact CB-OD1 3.47Å; S259-D330 WeakPolarHBondContact CB-OD2 3.28Å; S259-D330 PolarHBondContact OG-OD1 3.09Å; S259-D330 PolarHBondContact OG-OD2 3.18Å |
| 260 | Y | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.3 | -43 | 176.8 | -80.3 | 15.3 | 0 | 0 | 0 | 112.4 | P84 N198 P199 Q204 M208 T256 M257 V258 T264 | P84-Y260 HydrophobicContact CB-CD2 4Å; P84-Y260 HydrophobicContact CB-CE2 4.4Å; P84-Y260 HydrophobicContact CG-CD2 4.05Å; P84-Y260 HydrophobicContact CG-CE2 4.27Å; N198-Y260 PolarHBondContact N-OH 2.87Å; P199-Y260 HydrophobicContact CB-CD1 4.02Å; P199-Y260 HydrophobicContact CB-CD2 4.13Å; P199-Y260 HydrophobicContact CB-CE1 4.42Å; P199-Y260 HydrophobicContact CB-CG 3.85Å; P199-Y260 HydrophobicContact CG-CD1 4.22Å; P199-Y260 HydrophobicContact CG-CG 4.47Å; Q204-Y260 HydrophobicContact CB-CE2 4.12Å; Q204-Y260 PolarHBondContact O-OH 3.02Å; M208-Y260 HydrophobicContact CG-CE2 4.07Å; M208-Y260 HydrophobicContact SD-CE2 4.27Å; T256-Y260 HydrophobicContact CG2-CD1 4.02Å; T256-Y260 HydrophobicContact CG2-CE1 3.65Å; T256-Y260 WeakPolarHBondContact O-CD1 3.27Å; T256-Y260 PolarHBondContact O-N 3.43Å; M257-Y260 WeakPolarHBondContact O-CB 3.2Å; M257-Y260 PolarHBondContact O-N 2.89Å; M257-Y260 VanDerWaalsContact O-N 3.12Å; V258-Y260 VanDerWaalsContact C-N 3.35Å; V258-Y260 PolarHBondContact O-N 3.03Å; Y260-T264 VanDerWaalsContact O-CB 3.29Å; Y260-T264 WeakPolarHBondContact O-CB 3.4Å; Y260-T264 PolarHBondContact O-N 3.48Å; Y260-T264 PolarHBondContact O-OG1 3.25Å; Y260-T264 VanDerWaalsContact O-OG1 3.09Å |
| 261 | V | 96.2 | Very high | 94.3 | Very high | 70 Ų | 70 | 35.7 Ų | 35.7 | 42% | 0.424 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.7 | -51 | 174.6 | 173.5 | 0 | 0 | 0 | 0 | 109.9 | L81 M257 V258 T264 A265 | L81-V261 HydrophobicContact CD1-CB 4.44Å; L81-V261 HydrophobicContact CD1-CG2 4.04Å; M257-V261 HydrophobicContact CE-CG2 3.86Å; M257-V261 WeakPolarHBondContact O-CG2 3.46Å; M257-V261 PolarHBondContact O-N 3.23Å; V258-V261 PolarHBondContact O-N 3.41Å; V261-T264 PolarHBondContact O-N 3.13Å; V261-A265 WeakPolarHBondContact O-CB 3.31Å; V261-A265 PolarHBondContact O-N 3.3Å |
| 262 | C | 94.8 | Very high | 94.1 | Very high | 31 Ų | 31 | 36.5 Ų | 36.5 | 21% | 0.209 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.4 | -43.7 | -177.6 | -172.8 | 0 | 0 | 0 | 0 | 112.8 | V258 S259 A265 S266 A332 | V258-C262 PolarHBondContact O-N 3.34Å; S259-C262 PolarHBondContact O-N 2.88Å; C262-A265 PolarHBondContact O-N 3.2Å; C262-S266 VanDerWaalsContact O-CB 3.29Å; C262-S266 WeakPolarHBondContact O-CB 3.34Å; C262-S266 PolarHBondContact O-N 2.98Å; C262-S266 PolarHBondContact O-OG 3.41Å; C262-A332 HydrophobicContact CB-CB 3.71Å |
| 263 | K | 94.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.017 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.1 | -39.2 | 178.1 | -73.4 | 171.9 | -176.1 | 169.4 | 0 | 112.3 | P199 S259 G267 R268 Y270 S272 D330 | P199-K263 HydrophobicContact CG-CB 3.89Å; P199-K263 HydrophobicContact CG-CD 4.31Å; S259-K263 WeakPolarHBondContact O-CB 3.37Å; S259-K263 VanDerWaalsContact O-CG 3.27Å; S259-K263 WeakPolarHBondContact O-CG 3.46Å; S259-K263 PolarHBondContact O-N 3.29Å; S259-K263 WeakPolarHBondContact OG-CE 3.26Å; S259-K263 PolarHBondContact OG-NZ 2.96Å; K263-G267 PolarHBondContact O-N 2.87Å; K263-R268 WeakPolarHBondContact CB-O 3.43Å; K263-R268 PolarHBondContact O-N 3.2Å; K263-R268 VanDerWaalsContact O-N 3.13Å; K263-Y270 WeakPolarHBondContact CE-O 3.2Å; K263-Y270 HydrophobicContact CG-CE1 4.37Å; K263-Y270 PolarHBondContact NZ-O 3.45Å; K263-S272 PolarHBondContact NZ-OG 3.23Å; K263-D330 IonicContact NZ-OD2 2.82Å; K263-D330 PolarHBondContact NZ-OD2 3.43Å |
| 264 | T | 93.6 | Very high | 93.7 | Very high | 19 Ų | 19 | 38.7 Ų | 38.7 | 12% | 0.117 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -69.3 | -39.9 | 174.6 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | L81 Y260 V261 G267 | L81-T264 HydrophobicContact CD1-CG2 4.15Å; L81-T264 HydrophobicContact CG-CG2 4.37Å; Y260-T264 VanDerWaalsContact O-CB 3.29Å; Y260-T264 WeakPolarHBondContact O-CB 3.4Å; Y260-T264 PolarHBondContact O-N 3.48Å; Y260-T264 PolarHBondContact O-OG1 3.25Å; Y260-T264 VanDerWaalsContact O-OG1 3.09Å; V261-T264 PolarHBondContact O-N 3.13Å; T264-G267 PolarHBondContact O-N 3.18Å |
| 265 | A | 92.3 | Very high | 93.6 | Very high | 87 Ų | 87 | 36.8 Ų | 36.8 | 72% | 0.719 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -65.1 | -41.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V261 C262 G267 | V261-A265 WeakPolarHBondContact O-CB 3.31Å; V261-A265 PolarHBondContact O-N 3.3Å; C262-A265 PolarHBondContact O-N 3.2Å; A265-G267 VanDerWaalsContact C-N 3.35Å |
| 266 | S | 89.5 | Confident | 93.6 | Very high | 69 Ų | 69 | 37.3 Ų | 37.3 | 48% | 0.483 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -80.3 | -13.5 | -178.9 | -53.3 | 0 | 0 | 0 | 0 | 113.9 | C262 R268 | C262-S266 VanDerWaalsContact O-CB 3.29Å; C262-S266 WeakPolarHBondContact O-CB 3.34Å; C262-S266 PolarHBondContact O-N 2.98Å; C262-S266 PolarHBondContact O-OG 3.41Å; S266-R268 PolarHBondContact O-N 3.48Å |
| 267 | G | 88.6 | Confident | 93.6 | Very high | 47 Ų | 47 | 37 Ų | 37 | 49% | 0.485 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.6 | 14.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K263 T264 A265 | K263-G267 PolarHBondContact O-N 2.87Å; T264-G267 PolarHBondContact O-N 3.18Å; A265-G267 VanDerWaalsContact C-N 3.35Å |
| 268 | R | 86.3 | Confident | 93.6 | Very high | 147 Ų | 147 | 36.3 Ų | 36.3 | 56% | 0.555 | 22% | 0.22 | S | C | * | . | trans | -108.9 | 98.5 | -174.4 | -66.8 | 178.8 | -177 | -176.7 | 1.6 | 110.5 | K263 S266 Y270 | K263-R268 WeakPolarHBondContact CB-O 3.43Å; K263-R268 PolarHBondContact O-N 3.2Å; K263-R268 VanDerWaalsContact O-N 3.13Å; S266-R268 PolarHBondContact O-N 3.48Å; R268-Y270 HydrophobicContact CB-CD1 4.41Å; R268-Y270 PolarHBondContact O-N 2.69Å | ||
| 269 | F | 88.4 | Confident | 93.6 | Very high | 52 Ų | 52 | 34 Ų | 34 | 23% | 0.228 | 21% | 0.206 | C | C | . | . | trans | -98 | 61.6 | -170.7 | -54.8 | -59.2 | 0 | 0 | 0 | 114.5 | V76 P79 P199 A200 | V76-F269 HydrophobicContact CG1-CD2 4.35Å; V76-F269 HydrophobicContact CG1-CE2 4Å; P79-F269 VanDerWaalsContact CD-CZ 3.42Å; P79-F269 HydrophobicContact CG-CD1 4.26Å; P79-F269 HydrophobicContact CG-CE1 3.56Å; P79-F269 HydrophobicContact CG-CZ 3.85Å; P199-F269 HydrophobicContact CG-CD1 3.75Å; P199-F269 HydrophobicContact CG-CE1 4.23Å; A200-F269 HydrophobicContact CB-CB 3.98Å; A200-F269 HydrophobicContact CB-CD1 4.34Å; A200-F269 HydrophobicContact CB-CD2 4.38Å; A200-F269 HydrophobicContact CB-CG 3.98Å | ||
| 270 | Y | 87.1 | Confident | 93.7 | Very high | 53 Ų | 53 | 34.9 Ų | 34.9 | 21% | 0.208 | 21% | 0.211 | C | C | . | . | trans | -86.3 | 139.6 | 173.3 | 59.1 | -84.2 | 0 | 0 | 0 | 111.2 | K263 R268 | K263-Y270 WeakPolarHBondContact CE-O 3.2Å; K263-Y270 HydrophobicContact CG-CE1 4.37Å; K263-Y270 PolarHBondContact NZ-O 3.45Å; R268-Y270 HydrophobicContact CB-CD1 4.41Å; R268-Y270 PolarHBondContact O-N 2.69Å | ||
| 271 | P | 91.1 | Very high | 93.8 | Very high | 50 Ų | 50 | 34.9 Ų | 34.9 | 33% | 0.325 | 21% | 0.211 | S | C | . | . | trans | -67.8 | 146.1 | 176.5 | 28.2 | -32.6 | 0 | 0 | 0 | 110.5 | F39 S197 N198 | F39-P271 HydrophobicContact CE2-CG 4.12Å; F39-P271 HydrophobicContact CZ-CG 3.79Å; S197-P271 CarbonylContact O-C 3.57Å; S197-P271 VanDerWaalsContact O-CA 3.27Å; S197-P271 WeakPolarHBondContact O-CA 3.13Å; N198-P271 HydrophobicContact CB-CB 4.45Å | ||
| 272 | S | 93.1 | Very high | 93.9 | Very high | 16 Ų | 16 | 31.6 Ų | 31.6 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -136.9 | 155 | 171.9 | 63.9 | 0 | 0 | 0 | 0 | 112 | S197 K263 D330 | S197-S272 PolarHBondContact N-O 3.24Å; S197-S272 PolarHBondContact O-N 3.23Å; S197-S272 PolarHBondContact OG-O 3.48Å; S197-S272 VanDerWaalsContact OG-O 3.05Å; S197-S272 PolarHBondContact OG-OG 2.94Å; K263-S272 PolarHBondContact NZ-OG 3.23Å; S272-D330 WeakPolarHBondContact CB-OD2 3.42Å; S272-D330 PolarHBondContact OG-OD2 2.93Å |
| 273 | L | 94.5 | Very high | 94 | Very high | 38 Ų | 38 | 30.8 Ų | 30.8 | 20% | 0.199 | 18% | 0.184 | C | C | . | . | trans | -156.3 | 152.7 | -179.9 | 58.2 | 89.8 | 0 | 0 | 0 | 108.5 | W182 T196 S214 | W182-L273 HydrophobicContact CZ2-CD2 4.03Å; T196-L273 HydrophobicContact CG2-CD2 3.67Å; S214-L273 CarbonylContact O-C 3.58Å; S214-L273 WeakPolarHBondContact O-CD1 3.44Å | ||
| 274 | G | 94.6 | Very high | 94.2 | Very high | 10 Ų | 10 | 30.6 Ų | 30.6 | 10% | 0.103 | 18% | 0.183 | C | C | . | . | trans | 141.3 | 149.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | S211 S214 S276 | S211-G274 PolarHBondContact O-N 3.05Å; S214-G274 WeakPolarHBondContact O-CA 3.36Å; S214-G274 PolarHBondContact O-N 3.28Å; G274-S276 PolarHBondContact O-N 3.25Å | ||
| 275 | A | 97 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -6.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S212 H215 N224 M225 Y248 G277 A278 V279 | S212-A275 WeakPolarHBondContact O-CA 3.49Å; S212-A275 VanDerWaalsContact O-CB 3.25Å; S212-A275 WeakPolarHBondContact O-CB 3.43Å; S212-A275 PolarHBondContact O-N 2.99Å; H215-A275 PolarHBondContact CE1-N 3.45Å; H215-A275 PolarHBondContact NE2-N 2.83Å; N224-A275 HydrophobicContact CB-CB 4.38Å; M225-A275 HydrophobicContact CE-CB 3.76Å; Y248-A275 WeakPolarHBondContact OH-CB 3.18Å; A275-G277 VanDerWaalsContact C-N 3.32Å; A275-G277 PolarHBondContact O-N 2.94Å; A275-A278 WeakPolarHBondContact O-CB 3.37Å; A275-A278 PolarHBondContact O-N 3.41Å; A275-V279 HydrophobicContact CB-CG2 4.06Å; A275-V279 WeakPolarHBondContact O-CG2 3.37Å; A275-V279 PolarHBondContact O-N 3.43Å |
| 276 | S | 96.9 | Very high | 94.7 | Very high | 13 Ų | 13 | 26.1 Ų | 26.1 | 9% | 0.091 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61 | -34.4 | -163.7 | 60.1 | 0 | 0 | 0 | 0 | 114.2 | N224 G274 V279 M280 H334 | N224-S276 WeakPolarHBondContact OD1-CA 3.33Å; N224-S276 VanDerWaalsContact OD1-CB 3.23Å; N224-S276 WeakPolarHBondContact OD1-CB 3.26Å; N224-S276 PolarHBondContact OD1-N 3.48Å; N224-S276 VanDerWaalsContact OD1-N 3.08Å; G274-S276 PolarHBondContact O-N 3.25Å; S276-V279 PolarHBondContact O-N 3.05Å; S276-M280 VanDerWaalsContact O-CB 3.23Å; S276-M280 WeakPolarHBondContact O-CB 3.26Å; S276-M280 WeakPolarHBondContact O-CG 3.42Å; S276-M280 PolarHBondContact O-N 2.81Å; S276-H334 WeakPolarHBondContact CB-NE2 3.46Å; S276-H334 PolarHBondContact OG-CD2 3.09Å; S276-H334 PolarHBondContact OG-NE2 3.44Å |
| 277 | G | 97.6 | Very high | 95 | Very high | 3 Ų | 3 | 22.9 Ų | 22.9 | 3% | 0.031 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A275 A281 G337 | A275-G277 VanDerWaalsContact C-N 3.32Å; A275-G277 PolarHBondContact O-N 2.94Å; G277-A281 PolarHBondContact O-N 3.27Å; G277-A281 VanDerWaalsContact O-N 3.16Å; G277-G337 VanDerWaalsContact O-CA 3.3Å; G277-G337 WeakPolarHBondContact O-CA 3.08Å |
| 278 | A | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.6 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y248 A251 A275 A281 V282 | Y248-A278 HydrophobicContact CD1-CB 4.38Å; Y248-A278 HydrophobicContact CD2-CB 3.81Å; Y248-A278 HydrophobicContact CE1-CB 4.22Å; Y248-A278 HydrophobicContact CE2-CB 3.63Å; Y248-A278 HydrophobicContact CG-CB 4.19Å; Y248-A278 WeakPolarHBondContact O-CB 3.12Å; A251-A278 HydrophobicContact CB-CB 4.26Å; A275-A278 WeakPolarHBondContact O-CB 3.37Å; A275-A278 PolarHBondContact O-N 3.41Å; A278-A281 WeakPolarHBondContact O-CB 3.17Å; A278-A281 PolarHBondContact O-N 2.99Å; A278-V282 PolarHBondContact O-N 3.39Å; A278-V282 VanDerWaalsContact O-N 3.1Å |
| 279 | V | 98.4 | Very high | 95.9 | Very high | 5 Ų | 5 | 21.3 Ų | 21.3 | 3% | 0.03 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64.3 | -40.8 | 176.2 | 174.6 | 0 | 0 | 0 | 0 | 111.2 | N224 V227 L228 Y248 A275 S276 A281 V282 L283 | N224-V279 HydrophobicContact CB-CG2 4.49Å; V227-V279 HydrophobicContact CB-CG1 3.7Å; V227-V279 HydrophobicContact CG1-CG1 3.42Å; V227-V279 VanDerWaalsContact CG1-CG1 3.42Å; L228-V279 HydrophobicContact CB-CG2 4.18Å; Y248-V279 HydrophobicContact CE2-CG2 4.32Å; A275-V279 HydrophobicContact CB-CG2 4.06Å; A275-V279 WeakPolarHBondContact O-CG2 3.37Å; A275-V279 PolarHBondContact O-N 3.43Å; S276-V279 PolarHBondContact O-N 3.05Å; V279-A281 VanDerWaalsContact C-N 3.29Å; V279-A281 PolarHBondContact O-N 3.46Å; V279-V282 PolarHBondContact O-N 3.23Å; V279-L283 WeakPolarHBondContact O-CB 3.18Å; V279-L283 PolarHBondContact O-N 3.08Å |
| 280 | M | 98.2 | Very high | 96.2 | Very high | 18 Ų | 18 | 22 Ų | 22 | 9% | 0.089 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.2 | -35 | 174.6 | -77 | -57.3 | -66.4 | 0 | 0 | 112.1 | S276 A284 L314 H334 A338 | S276-M280 VanDerWaalsContact O-CB 3.23Å; S276-M280 WeakPolarHBondContact O-CB 3.26Å; S276-M280 WeakPolarHBondContact O-CG 3.42Å; S276-M280 PolarHBondContact O-N 2.81Å; M280-A284 WeakPolarHBondContact O-CB 3.37Å; M280-A284 PolarHBondContact O-N 3.34Å; M280-L314 HydrophobicContact CE-CB 4.05Å; M280-L314 HydrophobicContact CE-CD1 4.26Å; M280-H334 HydrophobicContact CG-CB 4.02Å; M280-A338 HydrophobicContact CE-CB 4.4Å |
| 281 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65 | -42.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A251 G277 A278 V279 A285 G337 F340 G341 | A251-A281 HydrophobicContact CB-CB 3.43Å; A251-A281 VanDerWaalsContact CB-CB 3.43Å; G277-A281 PolarHBondContact O-N 3.27Å; G277-A281 VanDerWaalsContact O-N 3.16Å; A278-A281 WeakPolarHBondContact O-CB 3.17Å; A278-A281 PolarHBondContact O-N 2.99Å; V279-A281 VanDerWaalsContact C-N 3.29Å; V279-A281 PolarHBondContact O-N 3.46Å; A281-A285 WeakPolarHBondContact O-CB 3.38Å; A281-A285 PolarHBondContact O-N 2.88Å; A281-G337 WeakPolarHBondContact CA-O 3.11Å; A281-G337 WeakPolarHBondContact CB-O 3.34Å; A281-F340 HydrophobicContact CB-CD1 4.21Å; A281-G341 WeakPolarHBondContact O-CA 3.24Å |
| 282 | V | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.5 | -49.7 | 176.3 | 171.7 | 0 | 0 | 0 | 0 | 111 | L228 F231 I235 F244 Y248 A278 V279 A285 V286 | L228-V282 HydrophobicContact CD1-CG2 4.42Å; F231-V282 HydrophobicContact CB-CG1 3.99Å; I235-V282 HydrophobicContact CB-CG1 3.97Å; I235-V282 HydrophobicContact CG1-CG1 4.29Å; I235-V282 HydrophobicContact CG2-CG1 3.75Å; F244-V282 HydrophobicContact CD2-CG2 4.46Å; F244-V282 HydrophobicContact CE2-CG2 3.86Å; Y248-V282 HydrophobicContact CD2-CG2 4.05Å; A278-V282 PolarHBondContact O-N 3.39Å; A278-V282 VanDerWaalsContact O-N 3.1Å; V279-V282 PolarHBondContact O-N 3.23Å; V282-A285 PolarHBondContact O-N 3.42Å; V282-V286 WeakPolarHBondContact O-CG2 3.31Å; V282-V286 PolarHBondContact O-N 2.82Å |
| 283 | L | 97.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 7% | 0.073 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.7 | -50.9 | 177.6 | -178.2 | 153.6 | 0 | 0 | 0 | 110.5 | V227 F231 V279 A285 V286 C287 L311 L314 | V227-L283 HydrophobicContact CG1-CB 4.49Å; V227-L283 HydrophobicContact CG1-CD1 3.82Å; F231-L283 HydrophobicContact CD2-CD1 4.48Å; F231-L283 HydrophobicContact CE2-CD1 3.94Å; F231-L283 HydrophobicContact CE2-CG 4.2Å; F231-L283 HydrophobicContact CZ-CD1 4.25Å; F231-L283 HydrophobicContact CZ-CG 4.19Å; V279-L283 WeakPolarHBondContact O-CB 3.18Å; V279-L283 PolarHBondContact O-N 3.08Å; L283-A285 VanDerWaalsContact C-N 3.34Å; L283-A285 PolarHBondContact O-N 3.42Å; L283-V286 PolarHBondContact O-N 3.47Å; L283-C287 VanDerWaalsContact O-CB 3.31Å; L283-C287 WeakPolarHBondContact O-CB 3.38Å; L283-C287 PolarHBondContact O-N 3.18Å; L283-C287 PolarHBondContact O-SG 2.7Å; L283-L311 HydrophobicContact CD2-CD1 4.11Å; L283-L314 HydrophobicContact CD1-CD1 3.86Å; L283-L314 HydrophobicContact CD2-CD1 3.73Å |
| 284 | A | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.1 | -39.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | M280 T288 L311 A338 V342 | M280-A284 WeakPolarHBondContact O-CB 3.37Å; M280-A284 PolarHBondContact O-N 3.34Å; A284-T288 VanDerWaalsContact O-CB 3.23Å; A284-T288 WeakPolarHBondContact O-CB 3.22Å; A284-T288 PolarHBondContact O-N 3.18Å; A284-T288 PolarHBondContact O-OG1 2.83Å; A284-L311 HydrophobicContact CB-CD1 3.61Å; A284-L311 HydrophobicContact CB-CD2 4.19Å; A284-A338 HydrophobicContact CB-CB 4.05Å; A284-V342 HydrophobicContact CB-CG2 4.13Å |
| 285 | A | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -48.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | I235 A281 V282 L283 K289 V345 | I235-A285 HydrophobicContact CD1-CB 3.73Å; A281-A285 WeakPolarHBondContact O-CB 3.38Å; A281-A285 PolarHBondContact O-N 2.88Å; V282-A285 PolarHBondContact O-N 3.42Å; L283-A285 VanDerWaalsContact C-N 3.34Å; L283-A285 PolarHBondContact O-N 3.42Å; A285-K289 PolarHBondContact O-N 3.42Å; A285-V345 HydrophobicContact CB-CG1 3.44Å; A285-V345 VanDerWaalsContact CB-CG1 3.44Å |
| 286 | V | 97.2 | Very high | 95.2 | Very high | 11 Ų | 11 | 37 Ų | 37 | 7% | 0.067 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.7 | -50.5 | 178.8 | 177.9 | 0 | 0 | 0 | 0 | 110.8 | F231 I235 L238 V282 L283 T288 K289 V290 | F231-V286 HydrophobicContact CD1-CB 3.92Å; F231-V286 HydrophobicContact CD1-CG1 3.85Å; F231-V286 HydrophobicContact CD1-CG2 4.33Å; F231-V286 HydrophobicContact CE1-CG1 4.31Å; I235-V286 HydrophobicContact CB-CG2 3.78Å; I235-V286 HydrophobicContact CD1-CG2 4.11Å; I235-V286 HydrophobicContact CG1-CG2 4.49Å; L238-V286 HydrophobicContact CD1-CG2 4.33Å; V282-V286 WeakPolarHBondContact O-CG2 3.31Å; V282-V286 PolarHBondContact O-N 2.82Å; L283-V286 PolarHBondContact O-N 3.47Å; V286-T288 PolarHBondContact O-N 3.5Å; V286-K289 PolarHBondContact O-N 2.87Å; V286-V290 HydrophobicContact CG1-CG2 3.77Å; V286-V290 WeakPolarHBondContact O-CG2 3.42Å; V286-V290 PolarHBondContact O-N 2.95Å |
| 287 | C | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.007 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.3 | -32.1 | 179.3 | -72 | 0 | 0 | 0 | 0 | 113.1 | L283 P291 A307 L311 | L283-C287 VanDerWaalsContact O-CB 3.31Å; L283-C287 WeakPolarHBondContact O-CB 3.38Å; L283-C287 PolarHBondContact O-N 3.18Å; L283-C287 PolarHBondContact O-SG 2.7Å; C287-P291 VanDerWaalsContact O-CA 3.24Å; C287-P291 WeakPolarHBondContact O-CA 3.22Å; C287-A307 HydrophobicContact CB-CB 4.16Å; C287-A307 WeakPolarHBondContact CB-O 3.43Å; C287-A307 PolarHBondContact SG-O 2.82Å; C287-A307 VanDerWaalsContact SG-O 3.41Å; C287-L311 HydrophobicContact CB-CB 3.88Å; C287-L311 HydrophobicContact CB-CD2 3.99Å; C287-L311 HydrophobicContact CB-CG 4.47Å |
| 288 | T | 97 | Very high | 93.1 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 33% | 0.325 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -72.9 | -34.5 | 175.7 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | A284 V286 V342 V345 | A284-T288 VanDerWaalsContact O-CB 3.23Å; A284-T288 WeakPolarHBondContact O-CB 3.22Å; A284-T288 PolarHBondContact O-N 3.18Å; A284-T288 PolarHBondContact O-OG1 2.83Å; V286-T288 PolarHBondContact O-N 3.5Å; T288-V342 HydrophobicContact CG2-CG1 4.4Å; T288-V345 HydrophobicContact CG2-CG2 3.84Å |
| 289 | K | 96.4 | Very high | 91.9 | Very high | 109 Ų | 109 | 53 Ų | 53 | 47% | 0.474 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -80.9 | -31.8 | -179 | -78 | -72.4 | 172.8 | -175.1 | 0 | 113.4 | L238 A285 V286 V345 | L238-K289 HydrophobicContact CD1-CB 3.86Å; L238-K289 HydrophobicContact CD1-CG 4.1Å; L238-K289 HydrophobicContact CD2-CB 4.28Å; L238-K289 HydrophobicContact CD2-CG 4.47Å; A285-K289 PolarHBondContact O-N 3.42Å; V286-K289 PolarHBondContact O-N 2.87Å; K289-V345 HydrophobicContact CD-CB 4.43Å; K289-V345 WeakPolarHBondContact CE-O 3.39Å; K289-V345 HydrophobicContact CG-CB 4.02Å; K289-V345 HydrophobicContact CG-CG1 4.33Å; K289-V345 HydrophobicContact CG-CG2 4.22Å; K289-V345 PolarHBondContact NZ-O 2.88Å |
| 290 | V | 94.9 | Very high | 91.2 | Very high | 67 Ų | 67 | 57.3 Ų | 57.3 | 41% | 0.406 | 30% | 0.302 | S | S | . | . | trans | -129.3 | 64.9 | 179.9 | -70.8 | 0 | 0 | 0 | 0 | 110.8 | V286 E292 A293 A307 | V286-V290 HydrophobicContact CG1-CG2 3.77Å; V286-V290 WeakPolarHBondContact O-CG2 3.42Å; V286-V290 PolarHBondContact O-N 2.95Å; V290-E292 PolarHBondContact O-N 3.4Å; V290-A293 HydrophobicContact CB-CB 4.16Å; V290-A293 HydrophobicContact CG2-CB 4.12Å; V290-A293 VanDerWaalsContact O-CB 3.28Å; V290-A293 WeakPolarHBondContact O-CB 3.5Å; V290-A293 PolarHBondContact O-N 3.38Å; V290-A293 VanDerWaalsContact O-N 3.12Å; V290-A307 WeakPolarHBondContact O-CB 3.21Å | ||
| 291 | P | 95.1 | Very high | 90 | Very high | 52 Ų | 52 | 61.2 Ų | 61.2 | 34% | 0.338 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -30.4 | -172.5 | 25.8 | -34.9 | 0 | 0 | 0 | 113.4 | C287 A293 T306 A307 G308 | C287-P291 VanDerWaalsContact O-CA 3.24Å; C287-P291 WeakPolarHBondContact O-CA 3.22Å; P291-A293 VanDerWaalsContact C-N 3.29Å; P291-A293 PolarHBondContact O-N 3.35Å; P291-T306 WeakPolarHBondContact O-CB 3.35Å; P291-A307 PolarHBondContact O-N 3.46Å; P291-A307 VanDerWaalsContact O-N 3.11Å; P291-G308 PolarHBondContact O-N 3.3Å |
| 292 | E | 94.3 | Very high | 89.3 | Confident | 147 Ų | 147 | 69.8 Ų | 69.8 | 69% | 0.687 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -6.1 | -179.8 | -55.4 | -48.3 | 132.2 | 0 | 0 | 113.7 | V290 K294 | V290-E292 PolarHBondContact O-N 3.4Å; E292-K294 PolarHBondContact O-N 2.82Å |
| 293 | A | 91.4 | Very high | 88.6 | Confident | 39 Ų | 39 | 73.3 Ų | 73.3 | 32% | 0.322 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 127.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V290 P291 L295 T306 A307 | V290-A293 HydrophobicContact CB-CB 4.16Å; V290-A293 HydrophobicContact CG2-CB 4.12Å; V290-A293 VanDerWaalsContact O-CB 3.28Å; V290-A293 WeakPolarHBondContact O-CB 3.5Å; V290-A293 PolarHBondContact O-N 3.38Å; V290-A293 VanDerWaalsContact O-N 3.12Å; P291-A293 VanDerWaalsContact C-N 3.29Å; P291-A293 PolarHBondContact O-N 3.35Å; A293-L295 PolarHBondContact O-N 2.76Å; A293-T306 CarbonylContact O-C 3.56Å; A293-A307 HydrophobicContact CB-CB 4.2Å; A293-A307 WeakPolarHBondContact O-CB 3.14Å; A293-A307 PolarHBondContact O-N 3.47Å |
| 294 | K | 89.3 | Confident | 88.1 | Confident | 163 Ų | 163 | 76.1 Ų | 76.1 | 71% | 0.709 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 117.6 | 177.8 | -67.7 | -175.4 | -180 | 179.4 | 0 | 109.8 | E292 | E292-K294 PolarHBondContact O-N 2.82Å |
| 295 | L | 85.9 | Confident | 87.7 | Confident | 36 Ų | 36 | 79.6 Ų | 79.6 | 19% | 0.188 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 134.4 | 172.5 | -60.1 | 178.2 | 0 | 0 | 0 | 109.1 | F231 A293 T304 F305 A307 A310 | F231-L295 HydrophobicContact CE1-CD1 4.33Å; F231-L295 HydrophobicContact CE1-CD2 4.09Å; F231-L295 HydrophobicContact CZ-CD1 3.84Å; F231-L295 HydrophobicContact CZ-CD2 3.94Å; A293-L295 PolarHBondContact O-N 2.76Å; L295-T304 VanDerWaalsContact O-CA 3.22Å; L295-T304 WeakPolarHBondContact O-CA 3.43Å; L295-F305 HydrophobicContact CB-CD2 4.03Å; L295-F305 HydrophobicContact CB-CE2 3.6Å; L295-F305 HydrophobicContact CB-CZ 4.15Å; L295-F305 HydrophobicContact CD1-CE2 3.92Å; L295-F305 HydrophobicContact CG-CE2 4.37Å; L295-F305 PolarHBondContact N-O 2.86Å; L295-F305 PolarHBondContact O-N 3.5Å; L295-A307 HydrophobicContact CD1-CB 3.93Å; L295-A307 HydrophobicContact CG-CB 4.13Å; L295-A310 HydrophobicContact CD1-CB 3.96Å |
| 296 | G | 79.9 | Confident | 87.5 | Confident | 45 Ų | 45 | 81.3 Ų | 81.3 | 46% | 0.464 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 152.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 297 | I | 77.9 | Confident | 87.4 | Confident | 70 Ų | 70 | 80.8 Ų | 80.8 | 36% | 0.359 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 128.6 | 167.2 | -55.7 | 175.8 | 0 | 0 | 0 | 107.3 | F299 L300 F305 | I297-F299 PolarHBondContact O-N 3.23Å; I297-L300 HydrophobicContact CB-CB 4.27Å; I297-L300 CarbonylContact O-C 3.17Å; I297-L300 PolarHBondContact O-N 3.11Å; I297-F305 HydrophobicContact CD1-CE1 4.03Å; I297-F305 HydrophobicContact CG1-CE1 3.65Å; I297-F305 HydrophobicContact CG1-CZ 4.45Å |
| 298 | I | 72.9 | Confident | 87.3 | Confident | 100 Ų | 100 | 81.4 Ų | 81.4 | 51% | 0.513 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -43.4 | -177.2 | -62.9 | 169 | 0 | 0 | 0 | 112.5 | Y226 | Y226-I298 HydrophobicContact CD1-CD1 4.43Å; Y226-I298 HydrophobicContact CD2-CD1 4.22Å; Y226-I298 HydrophobicContact CE1-CD1 3.67Å; Y226-I298 HydrophobicContact CE1-CG1 4.37Å; Y226-I298 HydrophobicContact CE2-CD1 3.43Å; Y226-I298 VanDerWaalsContact CE2-CD1 3.43Å; Y226-I298 HydrophobicContact CE2-CG1 4.28Å; Y226-I298 WeakPolarHBondContact OH-CD1 3.46Å; Y226-I298 WeakPolarHBondContact OH-CG1 3.18Å |
| 299 | F | 73.4 | Confident | 87.2 | Confident | 180 Ų | 180 | 83 Ų | 83 | 79% | 0.789 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -7.1 | -175.2 | -59.4 | -69.9 | 0 | 0 | 0 | 114.2 | I297 | I297-F299 PolarHBondContact O-N 3.23Š|
| 300 | L | 82.9 | Confident | 87.1 | Confident | 97 Ų | 97 | 78.4 Ų | 78.4 | 51% | 0.508 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 68.7 | 179 | -65.4 | 170.8 | 0 | 0 | 0 | 109 | I297 M302 V303 | I297-L300 HydrophobicContact CB-CB 4.27Å; I297-L300 CarbonylContact O-C 3.17Å; I297-L300 PolarHBondContact O-N 3.11Å; L300-M302 PolarHBondContact O-N 3.36Å; L300-M302 VanDerWaalsContact O-N 3.08Å; L300-V303 HydrophobicContact CB-CB 4.23Å; L300-V303 HydrophobicContact CB-CG2 4.2Å; L300-V303 PolarHBondContact O-N 3.38Å |
| 301 | P | 74.1 | Confident | 87.1 | Confident | 99 Ų | 99 | 76.1 Ų | 76.1 | 64% | 0.643 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | -19.4 | -175.1 | 25.5 | -34.6 | 0 | 0 | 0 | 113.3 | V303 | P301-V303 VanDerWaalsContact C-N 3.3Å |
| 302 | M | 82.7 | Confident | 87.2 | Confident | 180 Ų | 180 | 80.5 Ų | 80.5 | 89% | 0.887 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.8 | -18.1 | 175.2 | -58 | -54.9 | -69.8 | 0 | 0 | 113.1 | L300 | L300-M302 PolarHBondContact O-N 3.36Å; L300-M302 VanDerWaalsContact O-N 3.08Å |
| 303 | V | 84.3 | Confident | 87.3 | Confident | 75 Ų | 75 | 75.9 Ų | 75.9 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 112.3 | 178.9 | -177.5 | 0 | 0 | 0 | 0 | 108.3 | L300 P301 | L300-V303 HydrophobicContact CB-CB 4.23Å; L300-V303 HydrophobicContact CB-CG2 4.2Å; L300-V303 PolarHBondContact O-N 3.38Å; P301-V303 VanDerWaalsContact C-N 3.3Å |
| 304 | T | 87.4 | Confident | 87.4 | Confident | 73 Ų | 73 | 76.8 Ų | 76.8 | 45% | 0.448 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 147.3 | 172.8 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | L295 | L295-T304 VanDerWaalsContact O-CA 3.22Å; L295-T304 WeakPolarHBondContact O-CA 3.43Å |
| 305 | F | 90.4 | Very high | 87.8 | Confident | 74 Ų | 74 | 71.4 Ų | 71.4 | 33% | 0.325 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 156.9 | 174 | 50.1 | -99.2 | 0 | 0 | 0 | 109.7 | L295 I297 A310 | L295-F305 HydrophobicContact CB-CD2 4.03Å; L295-F305 HydrophobicContact CB-CE2 3.6Å; L295-F305 HydrophobicContact CB-CZ 4.15Å; L295-F305 HydrophobicContact CD1-CE2 3.92Å; L295-F305 HydrophobicContact CG-CE2 4.37Å; L295-F305 PolarHBondContact N-O 2.86Å; L295-F305 PolarHBondContact O-N 3.5Å; I297-F305 HydrophobicContact CD1-CE1 4.03Å; I297-F305 HydrophobicContact CG1-CE1 3.65Å; I297-F305 HydrophobicContact CG1-CZ 4.45Å; F305-A310 HydrophobicContact CD2-CB 3.55Å; F305-A310 HydrophobicContact CE2-CB 3.28Å; F305-A310 HydrophobicContact CZ-CB 4.41Å |
| 306 | T | 94.3 | Very high | 88.4 | Confident | 36 Ų | 36 | 72.5 Ų | 72.5 | 22% | 0.221 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 142.6 | 177 | 62 | 0 | 0 | 0 | 0 | 110.3 | P291 A293 G308 N309 A310 | P291-T306 WeakPolarHBondContact O-CB 3.35Å; A293-T306 CarbonylContact O-C 3.56Å; T306-G308 PolarHBondContact O-N 3.04Å; T306-N309 PolarHBondContact O-N 3.27Å; T306-N309 WeakPolarHBondContact OG1-CB 3.34Å; T306-N309 PolarHBondContact OG1-N 2.85Å; T306-N309 PolarHBondContact OG1-ND2 3.18Å; T306-A310 PolarHBondContact O-N 3.26Å |
| 307 | A | 93.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.008 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -56.6 | -34.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | C287 V290 P291 A293 L295 A310 L311 | C287-A307 HydrophobicContact CB-CB 4.16Å; C287-A307 WeakPolarHBondContact CB-O 3.43Å; C287-A307 PolarHBondContact SG-O 2.82Å; C287-A307 VanDerWaalsContact SG-O 3.41Å; V290-A307 WeakPolarHBondContact O-CB 3.21Å; P291-A307 PolarHBondContact O-N 3.46Å; P291-A307 VanDerWaalsContact O-N 3.11Å; A293-A307 HydrophobicContact CB-CB 4.2Å; A293-A307 WeakPolarHBondContact O-CB 3.14Å; A293-A307 PolarHBondContact O-N 3.47Å; L295-A307 HydrophobicContact CD1-CB 3.93Å; L295-A307 HydrophobicContact CG-CB 4.13Å; A307-A310 WeakPolarHBondContact O-CB 3.29Å; A307-A310 PolarHBondContact O-N 2.82Å; A307-L311 PolarHBondContact O-N 3Å |
| 308 | G | 94.3 | Very high | 90.1 | Very high | 13 Ų | 13 | 72 Ų | 72 | 13% | 0.134 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | P291 T306 L311 K312 | P291-G308 PolarHBondContact O-N 3.3Å; T306-G308 PolarHBondContact O-N 3.04Å; G308-L311 PolarHBondContact O-N 3.19Å; G308-K312 WeakPolarHBondContact O-CG 3.28Å; G308-K312 PolarHBondContact O-N 2.99Å; G308-K312 VanDerWaalsContact O-N 3.1Å |
| 309 | N | 95.1 | Very high | 91.2 | Very high | 87 Ų | 87 | 69.8 Ų | 69.8 | 47% | 0.465 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -69.8 | -35.5 | 177.2 | -71.9 | -11.2 | 0 | 0 | 0 | 111.9 | T306 L311 K312 A313 | T306-N309 PolarHBondContact O-N 3.27Å; T306-N309 WeakPolarHBondContact OG1-CB 3.34Å; T306-N309 PolarHBondContact OG1-N 2.85Å; T306-N309 PolarHBondContact OG1-ND2 3.18Å; N309-L311 VanDerWaalsContact C-N 3.35Å; N309-L311 PolarHBondContact O-N 3.23Å; N309-K312 PolarHBondContact O-N 2.95Å; N309-A313 WeakPolarHBondContact O-CB 3.44Å; N309-A313 PolarHBondContact O-N 3.01Å |
| 310 | A | 93.8 | Very high | 92.3 | Very high | 12 Ų | 12 | 63 Ų | 63 | 10% | 0.099 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -56.4 | -49.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L295 F305 T306 A307 A313 L314 | L295-A310 HydrophobicContact CD1-CB 3.96Å; F305-A310 HydrophobicContact CD2-CB 3.55Å; F305-A310 HydrophobicContact CE2-CB 3.28Å; F305-A310 HydrophobicContact CZ-CB 4.41Å; T306-A310 PolarHBondContact O-N 3.26Å; A307-A310 WeakPolarHBondContact O-CB 3.29Å; A307-A310 PolarHBondContact O-N 2.82Å; A310-A313 PolarHBondContact O-N 3.5Å; A310-L314 WeakPolarHBondContact O-CG 3.5Å; A310-L314 PolarHBondContact O-N 3.1Å |
| 311 | L | 96.3 | Very high | 92.9 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.2 | -45.2 | -179.7 | 178.6 | 58.7 | 0 | 0 | 0 | 111.4 | L283 A284 C287 A307 G308 N309 A313 L314 V315 V342 | L283-L311 HydrophobicContact CD2-CD1 4.11Å; A284-L311 HydrophobicContact CB-CD1 3.61Å; A284-L311 HydrophobicContact CB-CD2 4.19Å; C287-L311 HydrophobicContact CB-CB 3.88Å; C287-L311 HydrophobicContact CB-CD2 3.99Å; C287-L311 HydrophobicContact CB-CG 4.47Å; A307-L311 PolarHBondContact O-N 3Å; G308-L311 PolarHBondContact O-N 3.19Å; N309-L311 VanDerWaalsContact C-N 3.35Å; N309-L311 PolarHBondContact O-N 3.23Å; L311-A313 VanDerWaalsContact C-N 3.34Å; L311-A313 PolarHBondContact O-N 3.5Å; L311-L314 PolarHBondContact O-N 3.28Å; L311-V315 HydrophobicContact CD1-CG2 4.12Å; L311-V315 WeakPolarHBondContact O-CG2 3.47Å; L311-V315 PolarHBondContact O-N 3.43Å; L311-V342 HydrophobicContact CD2-CG2 4.29Å |
| 312 | K | 96.7 | Very high | 93.8 | Very high | 144 Ų | 144 | 56.7 Ų | 56.7 | 63% | 0.626 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -58.3 | -45.5 | 175.8 | -69.9 | 171.1 | -170 | 170.5 | 0 | 111.6 | G308 N309 V315 A316 | G308-K312 WeakPolarHBondContact O-CG 3.28Å; G308-K312 PolarHBondContact O-N 2.99Å; G308-K312 VanDerWaalsContact O-N 3.1Å; N309-K312 PolarHBondContact O-N 2.95Å; K312-V315 PolarHBondContact O-N 3.47Å; K312-A316 WeakPolarHBondContact O-CB 3.24Å; K312-A316 PolarHBondContact O-N 3.31Å |
| 313 | A | 95.6 | Very high | 94.3 | Very high | 50 Ų | 50 | 54.5 Ų | 54.5 | 41% | 0.413 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | N309 A310 L311 A316 I317 | N309-A313 WeakPolarHBondContact O-CB 3.44Å; N309-A313 PolarHBondContact O-N 3.01Å; A310-A313 PolarHBondContact O-N 3.5Å; L311-A313 VanDerWaalsContact C-N 3.34Å; L311-A313 PolarHBondContact O-N 3.5Å; A313-A316 PolarHBondContact O-N 3.46Å; A313-I317 VanDerWaalsContact O-CG1 3.27Å; A313-I317 WeakPolarHBondContact O-CG1 3.45Å; A313-I317 PolarHBondContact O-N 2.83Å |
| 314 | L | 95.4 | Very high | 94.8 | Very high | 58 Ų | 58 | 56.5 Ų | 56.5 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 176.8 | -73 | 169.7 | 0 | 0 | 0 | 111.9 | M280 L283 A310 L311 A316 I317 D318 | M280-L314 HydrophobicContact CE-CB 4.05Å; M280-L314 HydrophobicContact CE-CD1 4.26Å; L283-L314 HydrophobicContact CD1-CD1 3.86Å; L283-L314 HydrophobicContact CD2-CD1 3.73Å; A310-L314 WeakPolarHBondContact O-CG 3.5Å; A310-L314 PolarHBondContact O-N 3.1Å; L311-L314 PolarHBondContact O-N 3.28Å; L314-A316 VanDerWaalsContact C-N 3.3Å; L314-A316 PolarHBondContact O-N 2.85Å; L314-I317 PolarHBondContact O-N 2.89Å; L314-D318 PolarHBondContact O-N 3.39Å |
| 315 | V | 97.7 | Very high | 94.8 | Very high | 51 Ų | 51 | 54.2 Ų | 54.2 | 31% | 0.309 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | 176.7 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | L311 K312 T319 L335 A338 | L311-V315 HydrophobicContact CD1-CG2 4.12Å; L311-V315 WeakPolarHBondContact O-CG2 3.47Å; L311-V315 PolarHBondContact O-N 3.43Å; K312-V315 PolarHBondContact O-N 3.47Å; V315-T319 VanDerWaalsContact O-CB 3.24Å; V315-T319 WeakPolarHBondContact O-CB 3.28Å; V315-T319 PolarHBondContact O-N 2.84Å; V315-T319 PolarHBondContact O-OG1 2.93Å; V315-L335 HydrophobicContact CB-CD2 4.47Å; V315-L335 HydrophobicContact CG1-CD2 3.95Å; V315-A338 HydrophobicContact CG2-CB 4.31Å |
| 316 | A | 97.4 | Very high | 94.8 | Very high | 59 Ų | 59 | 56.8 Ų | 56.8 | 49% | 0.488 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K312 A313 L314 T319 A320 | K312-A316 WeakPolarHBondContact O-CB 3.24Å; K312-A316 PolarHBondContact O-N 3.31Å; A313-A316 PolarHBondContact O-N 3.46Å; L314-A316 VanDerWaalsContact C-N 3.3Å; L314-A316 PolarHBondContact O-N 2.85Å; A316-T319 PolarHBondContact O-N 3.33Å; A316-A320 WeakPolarHBondContact O-CB 3.35Å; A316-A320 PolarHBondContact O-N 3.43Å |
| 317 | I | 96.6 | Very high | 94.4 | Very high | 94 Ų | 94 | 62.4 Ų | 62.4 | 48% | 0.482 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.7 | -46.1 | 177.4 | -69.7 | 165 | 0 | 0 | 0 | 111 | A313 L314 T319 A320 G321 W326 | A313-I317 VanDerWaalsContact O-CG1 3.27Å; A313-I317 WeakPolarHBondContact O-CG1 3.45Å; A313-I317 PolarHBondContact O-N 2.83Å; L314-I317 PolarHBondContact O-N 2.89Å; I317-T319 VanDerWaalsContact C-N 3.33Å; I317-T319 PolarHBondContact O-N 2.93Å; I317-A320 PolarHBondContact O-N 2.69Å; I317-G321 PolarHBondContact O-N 2.93Å; I317-W326 HydrophobicContact CG2-CZ3 4.41Å |
| 318 | D | 96.4 | Very high | 93.8 | Very high | 9 Ų | 9 | 68 Ų | 68 | 5% | 0.048 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.5 | -35.9 | 178.3 | -78.8 | -44.4 | 0 | 0 | 0 | 111.9 | L314 G321 L322 H331 H334 L335 | L314-D318 PolarHBondContact O-N 3.39Å; D318-G321 PolarHBondContact O-N 3.33Å; D318-L322 WeakPolarHBondContact O-CB 3.42Å; D318-L322 PolarHBondContact O-N 2.93Å; D318-H331 HydrophobicContact CB-CB 4.37Å; D318-H331 WeakPolarHBondContact O-CB 3.32Å; D318-H331 IonicContact OD1-CE1 3.73Å; D318-H331 IonicContact OD1-CG 3.71Å; D318-H331 IonicContact OD1-ND1 3.33Å; D318-H331 PolarHBondContact OD1-ND1 2.73Å; D318-H334 HydrophobicContact CB-CB 4.4Å; D318-H334 IonicContact OD1-CE1 3.26Å; D318-H334 IonicContact OD1-CG 3.64Å; D318-H334 IonicContact OD1-ND1 3.98Å; D318-H334 PolarHBondContact OD1-ND1 3.13Å; D318-H334 WeakPolarHBondContact OD2-CB 3.36Å; D318-H334 IonicContact OD2-CG 2.67Å; D318-H334 IonicContact OD2-ND1 2.77Å; D318-H334 PolarHBondContact OD2-ND1 3.35Å; D318-L335 HydrophobicContact CB-CD1 4.39Å; D318-L335 HydrophobicContact CB-CD2 3.89Å; D318-L335 HydrophobicContact CB-CG 3.84Å |
| 319 | T | 96.8 | Very high | 93.4 | Very high | 54 Ų | 54 | 71.5 Ų | 71.5 | 33% | 0.331 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 175.3 | -60.9 | 0 | 0 | 0 | 0 | 111.1 | V315 A316 I317 L322 I323 | V315-T319 VanDerWaalsContact O-CB 3.24Å; V315-T319 WeakPolarHBondContact O-CB 3.28Å; V315-T319 PolarHBondContact O-N 2.84Å; V315-T319 PolarHBondContact O-OG1 2.93Å; A316-T319 PolarHBondContact O-N 3.33Å; I317-T319 VanDerWaalsContact C-N 3.33Å; I317-T319 PolarHBondContact O-N 2.93Å; T319-L322 PolarHBondContact O-N 2.93Å; T319-I323 HydrophobicContact CG2-CD1 3.88Å; T319-I323 WeakPolarHBondContact O-CG1 3.4Å; T319-I323 PolarHBondContact O-N 3.06Å |
| 320 | A | 96.7 | Very high | 93.3 | Very high | 37 Ų | 37 | 68 Ų | 68 | 31% | 0.306 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | A316 I317 L322 I323 L324 | A316-A320 WeakPolarHBondContact O-CB 3.35Å; A316-A320 PolarHBondContact O-N 3.43Å; I317-A320 PolarHBondContact O-N 2.69Å; A320-L322 VanDerWaalsContact C-N 3.28Å; A320-L322 PolarHBondContact O-N 2.99Å; A320-I323 PolarHBondContact O-N 3.23Å; A320-L324 VanDerWaalsContact O-CB 3.24Å; A320-L324 WeakPolarHBondContact O-CB 3.49Å; A320-L324 VanDerWaalsContact O-CG 3.23Å; A320-L324 WeakPolarHBondContact O-CG 3.4Å; A320-L324 PolarHBondContact O-N 2.83Å |
| 321 | G | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.7 | -36.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I317 D318 G325 W326 | I317-G321 PolarHBondContact O-N 2.93Å; D318-G321 PolarHBondContact O-N 3.33Å; G321-G325 PolarHBondContact O-N 2.96Å; G321-W326 PolarHBondContact O-N 3.07Å |
| 322 | L | 93.6 | Very high | 93.4 | Very high | 64 Ų | 64 | 66.9 Ų | 66.9 | 34% | 0.335 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.2 | -47.3 | 175.6 | -170.5 | 63.7 | 0 | 0 | 0 | 112.2 | D318 T319 A320 G325 H331 A332 L335 | D318-L322 WeakPolarHBondContact O-CB 3.42Å; D318-L322 PolarHBondContact O-N 2.93Å; T319-L322 PolarHBondContact O-N 2.93Å; A320-L322 VanDerWaalsContact C-N 3.28Å; A320-L322 PolarHBondContact O-N 2.99Å; L322-G325 PolarHBondContact O-N 3.08Å; L322-H331 HydrophobicContact CB-CB 4.15Å; L322-H331 HydrophobicContact CD1-CB 4.46Å; L322-A332 HydrophobicContact CD1-CB 4Å; L322-L335 HydrophobicContact CB-CD1 4.5Å; L322-L335 HydrophobicContact CD2-CD1 3.93Å |
| 323 | I | 94.3 | Very high | 93.4 | Very high | 135 Ų | 135 | 60.3 Ų | 60.3 | 69% | 0.692 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.6 | -45.1 | -179.5 | -67.5 | 168.6 | 0 | 0 | 0 | 110.9 | T319 A320 G325 | T319-I323 HydrophobicContact CG2-CD1 3.88Å; T319-I323 WeakPolarHBondContact O-CG1 3.4Å; T319-I323 PolarHBondContact O-N 3.06Å; A320-I323 PolarHBondContact O-N 3.23Å; I323-G325 PolarHBondContact O-N 3.17Å |
| 324 | L | 93.4 | Very high | 93.5 | Very high | 117 Ų | 117 | 58.8 Ų | 58.8 | 61% | 0.613 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -77.9 | -8.4 | -179.9 | -60.8 | 175.6 | 0 | 0 | 0 | 112.8 | A320 W326 | A320-L324 VanDerWaalsContact O-CB 3.24Å; A320-L324 WeakPolarHBondContact O-CB 3.49Å; A320-L324 VanDerWaalsContact O-CG 3.23Å; A320-L324 WeakPolarHBondContact O-CG 3.4Å; A320-L324 PolarHBondContact O-N 2.83Å; L324-W326 HydrophobicContact CD1-CZ2 3.79Å |
| 325 | G | 88.5 | Confident | 93.6 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 26% | 0.258 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 32.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G321 L322 I323 R327 | G321-G325 PolarHBondContact O-N 2.96Å; L322-G325 PolarHBondContact O-N 3.08Å; I323-G325 PolarHBondContact O-N 3.17Å; G325-R327 WeakPolarHBondContact O-CG 3.33Å |
| 326 | W | 90.3 | Very high | 93.7 | Very high | 128 Ų | 128 | 54.9 Ų | 54.9 | 49% | 0.485 | 29% | 0.287 | S | S | . | . | trans | -61.4 | 144.6 | 172.3 | -65.3 | -7.9 | 0 | 0 | 0 | 111 | I317 G321 L324 H331 | I317-W326 HydrophobicContact CG2-CZ3 4.41Å; G321-W326 PolarHBondContact O-N 3.07Å; L324-W326 HydrophobicContact CD1-CZ2 3.79Å; W326-H331 WeakPolarHBondContact CB-NE2 3.48Å | ||
| 327 | R | 84.8 | Confident | 93.7 | Very high | 153 Ų | 153 | 52 Ų | 52 | 58% | 0.577 | 26% | 0.263 | S | S | * | . | trans | -122 | 4.8 | -170.1 | -49.2 | -180 | 94.5 | 163.3 | 7.1 | 113.5 | Q35 G325 F329 | Q35-R327 PolarHBondContact NE2-O 3.25Å; Q35-R327 VanDerWaalsContact NE2-O 3.14Å; G325-R327 WeakPolarHBondContact O-CG 3.33Å; R327-F329 VanDerWaalsContact C-N 3.33Å | ||
| 328 | L | 81.9 | Confident | 93.8 | Very high | 118 Ų | 118 | 47.8 Ų | 47.8 | 62% | 0.618 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -70.5 | -36.3 | 178.9 | -173.6 | 62 | 0 | 0 | 0 | 110.6 | ||
| 329 | F | 85.8 | Confident | 93.9 | Very high | 87 Ų | 87 | 53.2 Ų | 53.2 | 38% | 0.382 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -128.9 | 160.5 | -179.6 | -55.4 | -66.5 | 0 | 0 | 0 | 111.9 | R327 H331 | R327-F329 VanDerWaalsContact C-N 3.33Å; F329-H331 VanDerWaalsContact C-N 3.29Å; F329-H331 PolarHBondContact O-N 2.85Å; F329-H331 VanDerWaalsContact O-N 3.13Å |
| 330 | D | 92.3 | Very high | 94 | Very high | 14 Ų | 14 | 51.3 Ų | 51.3 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | trans | -85 | 76.6 | 169.8 | -162.9 | -28.4 | 0 | 0 | 0 | 109.7 | S259 K263 S272 A332 A333 H334 | S259-D330 WeakPolarHBondContact CB-OD1 3.47Å; S259-D330 WeakPolarHBondContact CB-OD2 3.28Å; S259-D330 PolarHBondContact OG-OD1 3.09Å; S259-D330 PolarHBondContact OG-OD2 3.18Å; K263-D330 IonicContact NZ-OD2 2.82Å; K263-D330 PolarHBondContact NZ-OD2 3.43Å; S272-D330 WeakPolarHBondContact CB-OD2 3.42Å; S272-D330 PolarHBondContact OG-OD2 2.93Å; D330-A332 PolarHBondContact O-N 3.45Å; D330-A333 HydrophobicContact CB-CB 3.89Å; D330-A333 WeakPolarHBondContact O-CA 3.49Å; D330-A333 WeakPolarHBondContact O-CB 3.36Å; D330-A333 PolarHBondContact O-N 3.37Å; D330-A333 PolarHBondContact OD1-N 3.29Å; D330-A333 VanDerWaalsContact OD1-N 3.13Å; D330-H334 PolarHBondContact O-CD2 2.91Å; D330-H334 PolarHBondContact O-N 3.32Å | ||
| 331 | H | 95.4 | Very high | 94.1 | Very high | 4 Ų | 4 | 49.6 Ų | 49.6 | 2% | 0.019 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.1 | -35.6 | -176.6 | -64.2 | -62.1 | 0 | 0 | 0 | 113 | D318 L322 W326 F329 H334 L335 | D318-H331 HydrophobicContact CB-CB 4.37Å; D318-H331 WeakPolarHBondContact O-CB 3.32Å; D318-H331 IonicContact OD1-CE1 3.73Å; D318-H331 IonicContact OD1-CG 3.71Å; D318-H331 IonicContact OD1-ND1 3.33Å; D318-H331 PolarHBondContact OD1-ND1 2.73Å; L322-H331 HydrophobicContact CB-CB 4.15Å; L322-H331 HydrophobicContact CD1-CB 4.46Å; W326-H331 WeakPolarHBondContact CB-NE2 3.48Å; F329-H331 VanDerWaalsContact C-N 3.29Å; F329-H331 PolarHBondContact O-N 2.85Å; F329-H331 VanDerWaalsContact O-N 3.13Å; H331-H334 PolarHBondContact O-N 3.08Å; H331-L335 WeakPolarHBondContact O-CG 3.49Å; H331-L335 PolarHBondContact O-N 3.36Å |
| 332 | A | 96.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 52.1 Ų | 52.1 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V258 C262 L322 D330 G336 | V258-A332 WeakPolarHBondContact CG1-O 3.45Å; C262-A332 HydrophobicContact CB-CB 3.71Å; L322-A332 HydrophobicContact CD1-CB 4Å; D330-A332 PolarHBondContact O-N 3.45Å; A332-G336 PolarHBondContact O-N 2.84Å |
| 333 | A | 97.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64 | -42 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S255 D330 G336 G337 | S255-A333 WeakPolarHBondContact CB-O 3.38Å; S255-A333 WeakPolarHBondContact O-CA 3.35Å; D330-A333 HydrophobicContact CB-CB 3.89Å; D330-A333 WeakPolarHBondContact O-CA 3.49Å; D330-A333 WeakPolarHBondContact O-CB 3.36Å; D330-A333 PolarHBondContact O-N 3.37Å; D330-A333 PolarHBondContact OD1-N 3.29Å; D330-A333 VanDerWaalsContact OD1-N 3.13Å; A333-G336 PolarHBondContact O-N 2.77Å; A333-G337 PolarHBondContact O-N 3.46Å |
| 334 | H | 97.6 | Very high | 94.7 | Very high | 18 Ų | 18 | 47.6 Ų | 47.6 | 8% | 0.083 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 177.6 | -65.8 | -178.3 | 0 | 0 | 0 | 112.1 | S276 M280 D318 D330 H331 G337 A338 | S276-H334 WeakPolarHBondContact CB-NE2 3.46Å; S276-H334 PolarHBondContact OG-CD2 3.09Å; S276-H334 PolarHBondContact OG-NE2 3.44Å; M280-H334 HydrophobicContact CG-CB 4.02Å; D318-H334 HydrophobicContact CB-CB 4.4Å; D318-H334 IonicContact OD1-CE1 3.26Å; D318-H334 IonicContact OD1-CG 3.64Å; D318-H334 IonicContact OD1-ND1 3.98Å; D318-H334 PolarHBondContact OD1-ND1 3.13Å; D318-H334 WeakPolarHBondContact OD2-CB 3.36Å; D318-H334 IonicContact OD2-CG 2.67Å; D318-H334 IonicContact OD2-ND1 2.77Å; D318-H334 PolarHBondContact OD2-ND1 3.35Å; D330-H334 PolarHBondContact O-CD2 2.91Å; D330-H334 PolarHBondContact O-N 3.32Å; H331-H334 PolarHBondContact O-N 3.08Å; H334-G337 PolarHBondContact O-N 3.37Å; H334-A338 WeakPolarHBondContact O-CB 3.49Å; H334-A338 PolarHBondContact O-N 3.31Å |
| 335 | L | 98.2 | Very high | 94.8 | Very high | 24 Ų | 24 | 42.4 Ų | 42.4 | 13% | 0.126 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.6 | -43.3 | 176.6 | -69.7 | 170.6 | 0 | 0 | 0 | 111.6 | V315 D318 L322 H331 G337 A338 L339 | V315-L335 HydrophobicContact CB-CD2 4.47Å; V315-L335 HydrophobicContact CG1-CD2 3.95Å; D318-L335 HydrophobicContact CB-CD1 4.39Å; D318-L335 HydrophobicContact CB-CD2 3.89Å; D318-L335 HydrophobicContact CB-CG 3.84Å; L322-L335 HydrophobicContact CB-CD1 4.5Å; L322-L335 HydrophobicContact CD2-CD1 3.93Å; H331-L335 WeakPolarHBondContact O-CG 3.49Å; H331-L335 PolarHBondContact O-N 3.36Å; L335-G337 VanDerWaalsContact C-N 3.31Å; L335-G337 PolarHBondContact O-N 3.33Å; L335-A338 PolarHBondContact O-N 2.8Å; L335-L339 WeakPolarHBondContact O-CB 3.46Å; L335-L339 VanDerWaalsContact O-CG 3.23Å; L335-L339 WeakPolarHBondContact O-CG 3.46Å; L335-L339 PolarHBondContact O-N 3.21Å |
| 336 | G | 98.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 2% | 0.021 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.9 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A332 A333 F340 | A332-G336 PolarHBondContact O-N 2.84Å; A333-G336 PolarHBondContact O-N 2.77Å; G336-F340 WeakPolarHBondContact O-CB 3.47Å; G336-F340 PolarHBondContact O-N 3.31Å |
| 337 | G | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.2 | -50.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | G277 A281 A333 H334 L335 L339 F340 G341 | G277-G337 VanDerWaalsContact O-CA 3.3Å; G277-G337 WeakPolarHBondContact O-CA 3.08Å; A281-G337 WeakPolarHBondContact CA-O 3.11Å; A281-G337 WeakPolarHBondContact CB-O 3.34Å; A333-G337 PolarHBondContact O-N 3.46Å; H334-G337 PolarHBondContact O-N 3.37Å; L335-G337 VanDerWaalsContact C-N 3.31Å; L335-G337 PolarHBondContact O-N 3.33Å; G337-L339 PolarHBondContact O-N 2.9Å; G337-F340 PolarHBondContact O-N 3.45Å; G337-G341 PolarHBondContact O-N 3.42Å |
| 338 | A | 98.5 | Very high | 96 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 3% | 0.033 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M280 A284 V315 H334 L335 F340 G341 V342 | M280-A338 HydrophobicContact CE-CB 4.4Å; A284-A338 HydrophobicContact CB-CB 4.05Å; V315-A338 HydrophobicContact CG2-CB 4.31Å; H334-A338 WeakPolarHBondContact O-CB 3.49Å; H334-A338 PolarHBondContact O-N 3.31Å; L335-A338 PolarHBondContact O-N 2.8Å; A338-F340 PolarHBondContact O-N 3.47Å; A338-G341 PolarHBondContact O-N 2.86Å; A338-V342 VanDerWaalsContact O-CG2 3.29Å; A338-V342 WeakPolarHBondContact O-CG2 3.45Å; A338-V342 PolarHBondContact O-N 2.63Å |
| 339 | L | 98.4 | Very high | 96.7 | Very high | 123 Ų | 123 | 33.8 Ų | 33.8 | 64% | 0.644 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -58.5 | -45.7 | 176 | -73.4 | 171.7 | 0 | 0 | 0 | 111.7 | L335 G337 W343 | L335-L339 WeakPolarHBondContact O-CB 3.46Å; L335-L339 VanDerWaalsContact O-CG 3.23Å; L335-L339 WeakPolarHBondContact O-CG 3.46Å; L335-L339 PolarHBondContact O-N 3.21Å; G337-L339 PolarHBondContact O-N 2.9Å; L339-W343 WeakPolarHBondContact O-CB 3.43Å; L339-W343 PolarHBondContact O-N 2.96Å |
| 340 | F | 98.6 | Very high | 97.1 | Very high | 15 Ų | 15 | 36.3 Ų | 36.3 | 7% | 0.066 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -43.7 | 176.2 | 175.4 | -106.2 | 0 | 0 | 0 | 112.1 | F96 V247 A251 I254 A281 G336 G337 A338 W343 Y344 | F96-F340 HydrophobicContact CZ-CZ 4.5Å; V247-F340 HydrophobicContact CG1-CE1 4.1Å; A251-F340 HydrophobicContact CB-CD1 3.59Å; A251-F340 HydrophobicContact CB-CE1 3.76Å; I254-F340 HydrophobicContact CD1-CD1 4.5Å; I254-F340 HydrophobicContact CD1-CD2 3.42Å; I254-F340 VanDerWaalsContact CD1-CD2 3.42Å; I254-F340 HydrophobicContact CD1-CE1 4.38Å; I254-F340 HydrophobicContact CD1-CE2 3.26Å; I254-F340 HydrophobicContact CD1-CG 4.05Å; I254-F340 HydrophobicContact CD1-CZ 3.8Å; I254-F340 HydrophobicContact CG2-CB 4.18Å; I254-F340 HydrophobicContact CG2-CD2 4.37Å; I254-F340 HydrophobicContact CG2-CG 4.37Å; A281-F340 HydrophobicContact CB-CD1 4.21Å; G336-F340 WeakPolarHBondContact O-CB 3.47Å; G336-F340 PolarHBondContact O-N 3.31Å; G337-F340 PolarHBondContact O-N 3.45Å; A338-F340 PolarHBondContact O-N 3.47Å; F340-W343 AromaticContact CD2-CE3 3.78Å; F340-W343 HydrophobicContact CD2-CE3 3.78Å; F340-W343 AromaticContact CD2-CZ3 3.94Å; F340-W343 HydrophobicContact CD2-CZ3 3.94Å; F340-W343 AromaticContact CE2-CE3 3.88Å; F340-W343 HydrophobicContact CE2-CE3 3.88Å; F340-W343 AromaticContact CE2-CZ3 3.58Å; F340-W343 HydrophobicContact CE2-CZ3 3.58Å; F340-W343 PolarHBondContact O-N 2.91Å; F340-Y344 HydrophobicContact CZ-CD2 4.26Å; F340-Y344 WeakPolarHBondContact O-CB 3.3Å; F340-Y344 PolarHBondContact O-N 2.72Å |
| 341 | G | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -50.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A281 G337 A338 Y344 V345 | A281-G341 WeakPolarHBondContact O-CA 3.24Å; G337-G341 PolarHBondContact O-N 3.42Å; A338-G341 PolarHBondContact O-N 2.86Å; G341-Y344 PolarHBondContact O-N 3.41Å; G341-V345 WeakPolarHBondContact O-CG2 3.37Å; G341-V345 PolarHBondContact O-N 3.1Å |
| 342 | V | 98.4 | Very high | 97.2 | Very high | 54 Ų | 54 | 42.7 Ų | 42.7 | 33% | 0.327 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.3 | -52.3 | 175.6 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | A284 T288 L311 A338 Y344 V345 A346 | A284-V342 HydrophobicContact CB-CG2 4.13Å; T288-V342 HydrophobicContact CG2-CG1 4.4Å; L311-V342 HydrophobicContact CD2-CG2 4.29Å; A338-V342 VanDerWaalsContact O-CG2 3.29Å; A338-V342 WeakPolarHBondContact O-CG2 3.45Å; A338-V342 PolarHBondContact O-N 2.63Å; V342-Y344 VanDerWaalsContact C-N 3.29Å; V342-Y344 PolarHBondContact O-N 3.48Å; V342-V345 WeakPolarHBondContact O-CG2 3.44Å; V342-V345 PolarHBondContact O-N 3.48Å; V342-A346 VanDerWaalsContact O-CB 3.31Å; V342-A346 WeakPolarHBondContact O-CB 3.37Å; V342-A346 PolarHBondContact O-N 2.95Å |
| 343 | W | 98.4 | Very high | 97.1 | Very high | 103 Ų | 103 | 43 Ų | 43 | 39% | 0.39 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.7 | -40.3 | -179.8 | 168.5 | 83.8 | 0 | 0 | 0 | 111.9 | L339 F340 A346 Y347 G348 I352 | L339-W343 WeakPolarHBondContact O-CB 3.43Å; L339-W343 PolarHBondContact O-N 2.96Å; F340-W343 AromaticContact CD2-CE3 3.78Å; F340-W343 HydrophobicContact CD2-CE3 3.78Å; F340-W343 AromaticContact CD2-CZ3 3.94Å; F340-W343 HydrophobicContact CD2-CZ3 3.94Å; F340-W343 AromaticContact CE2-CE3 3.88Å; F340-W343 HydrophobicContact CE2-CE3 3.88Å; F340-W343 AromaticContact CE2-CZ3 3.58Å; F340-W343 HydrophobicContact CE2-CZ3 3.58Å; F340-W343 PolarHBondContact O-N 2.91Å; W343-A346 PolarHBondContact O-N 3.35Å; W343-Y347 AromaticContact CD1-CD2 3.81Å; W343-Y347 PolarHBondContact O-N 3.34Å; W343-G348 PolarHBondContact O-N 3.31Å; W343-G348 VanDerWaalsContact O-N 3.13Å; W343-I352 HydrophobicContact CH2-CD1 3.97Å |
| 344 | Y | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -66.5 | -44.2 | -176.5 | -174.5 | -95.3 | 0 | 0 | 0 | 111.6 | F96 L239 Q243 V247 F340 G341 V342 A346 G348 H349 | F96-Y344 AromaticContact CE1-CE2 3.59Å; F96-Y344 HydrophobicContact CE1-CE2 3.59Å; F96-Y344 AromaticContact CE1-CZ 3.65Å; F96-Y344 WeakPolarHBondContact CE1-OH 3.49Å; F96-Y344 HydrophobicContact CE2-CE2 4.25Å; F96-Y344 HydrophobicContact CZ-CD2 4.08Å; F96-Y344 AromaticContact CZ-CE2 3.33Å; F96-Y344 HydrophobicContact CZ-CE2 3.33Å; F96-Y344 AromaticContact CZ-CZ 3.84Å; L239-Y344 HydrophobicContact CD1-CD1 4.43Å; L239-Y344 HydrophobicContact CD1-CE1 3.96Å; L239-Y344 HydrophobicContact CD2-CE1 4.13Å; Q243-Y344 VanDerWaalsContact CG-OH 3.26Å; Q243-Y344 WeakPolarHBondContact CG-OH 3.25Å; Q243-Y344 PolarHBondContact NE2-OH 2.79Å; V247-Y344 HydrophobicContact CG1-CD1 4.44Å; V247-Y344 HydrophobicContact CG2-CD1 3.63Å; V247-Y344 HydrophobicContact CG2-CD2 4.28Å; V247-Y344 HydrophobicContact CG2-CE1 3.17Å; V247-Y344 HydrophobicContact CG2-CE2 3.91Å; V247-Y344 HydrophobicContact CG2-CG 4.14Å; F340-Y344 HydrophobicContact CZ-CD2 4.26Å; F340-Y344 WeakPolarHBondContact O-CB 3.3Å; F340-Y344 PolarHBondContact O-N 2.72Å; G341-Y344 PolarHBondContact O-N 3.41Å; V342-Y344 VanDerWaalsContact C-N 3.29Å; V342-Y344 PolarHBondContact O-N 3.48Å; Y344-A346 VanDerWaalsContact C-N 3.35Å; Y344-G348 CarbonylContact O-C 3.49Å; Y344-G348 WeakPolarHBondContact O-CA 3.46Å; Y344-G348 PolarHBondContact O-N 3Å; Y344-H349 HydrophobicContact CE1-CB 4.4Å; Y344-H349 PolarHBondContact O-N 3.31Å |
| 345 | V | 97.1 | Very high | 96.8 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -74.9 | -26.1 | 179.8 | -61.5 | 0 | 0 | 0 | 0 | 113.3 | A285 T288 K289 G341 V342 | A285-V345 HydrophobicContact CB-CG1 3.44Å; A285-V345 VanDerWaalsContact CB-CG1 3.44Å; T288-V345 HydrophobicContact CG2-CG2 3.84Å; K289-V345 HydrophobicContact CD-CB 4.43Å; K289-V345 WeakPolarHBondContact CE-O 3.39Å; K289-V345 HydrophobicContact CG-CB 4.02Å; K289-V345 HydrophobicContact CG-CG1 4.33Å; K289-V345 HydrophobicContact CG-CG2 4.22Å; K289-V345 PolarHBondContact NZ-O 2.88Å; G341-V345 WeakPolarHBondContact O-CG2 3.37Å; G341-V345 PolarHBondContact O-N 3.1Å; V342-V345 WeakPolarHBondContact O-CG2 3.44Å; V342-V345 PolarHBondContact O-N 3.48Å |
| 346 | A | 96.9 | Very high | 96.6 | Very high | 50 Ų | 50 | 61.1 Ų | 61.1 | 41% | 0.413 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -77.4 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V342 W343 Y344 | V342-A346 VanDerWaalsContact O-CB 3.31Å; V342-A346 WeakPolarHBondContact O-CB 3.37Å; V342-A346 PolarHBondContact O-N 2.95Å; W343-A346 PolarHBondContact O-N 3.35Å; Y344-A346 VanDerWaalsContact C-N 3.35Å |
| 347 | Y | 96.8 | Very high | 96.4 | Very high | 146 Ų | 146 | 66.3 Ų | 66.3 | 57% | 0.573 | 30% | 0.3 | S | S | * | . | I | π-helix | trans | -131.9 | -46.6 | -169.7 | -52.6 | -73.3 | 0 | 0 | 0 | 113.2 | W343 H349 K350 L351 | W343-Y347 AromaticContact CD1-CD2 3.81Å; W343-Y347 PolarHBondContact O-N 3.34Å; Y347-H349 VanDerWaalsContact C-N 3.33Å; Y347-H349 PolarHBondContact O-N 3.36Å; Y347-K350 PolarHBondContact O-N 2.84Å; Y347-L351 WeakPolarHBondContact O-CG 3.48Å; Y347-L351 PolarHBondContact O-N 2.81Å |
| 348 | G | 95.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | I | π-helix | trans | -55.6 | -40 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | W343 Y344 K350 L351 I352 | W343-G348 PolarHBondContact O-N 3.31Å; W343-G348 VanDerWaalsContact O-N 3.13Å; Y344-G348 CarbonylContact O-C 3.49Å; Y344-G348 WeakPolarHBondContact O-CA 3.46Å; Y344-G348 PolarHBondContact O-N 3Å; G348-K350 VanDerWaalsContact C-N 3.34Å; G348-K350 PolarHBondContact O-N 3.42Å; G348-L351 PolarHBondContact O-N 3.46Å; G348-I352 WeakPolarHBondContact O-CB 3.32Å; G348-I352 PolarHBondContact O-N 3.37Å |
| 349 | H | 95.2 | Very high | 96.1 | Very high | 46 Ų | 46 | 73.9 Ų | 73.9 | 21% | 0.213 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -59.1 | -43.6 | 175 | 176.3 | 94.9 | 0 | 0 | 0 | 111.8 | Q243 Y344 Y347 W353 R354 | Q243-H349 PolarHBondContact NE2-ND1 3.47Å; Q243-H349 PolarHBondContact OE1-ND1 2.74Å; Y344-H349 HydrophobicContact CE1-CB 4.4Å; Y344-H349 PolarHBondContact O-N 3.31Å; Y347-H349 VanDerWaalsContact C-N 3.33Å; Y347-H349 PolarHBondContact O-N 3.36Å; H349-W353 AromaticContact CE1-CD1 3.88Å; H349-W353 WeakPolarHBondContact O-CB 3.33Å; H349-W353 PolarHBondContact O-N 2.91Å; H349-R354 PolarHBondContact NE2-NE 3.31Å; H349-R354 PolarHBondContact O-N 3.25Å |
| 350 | K | 94.9 | Very high | 95.9 | Very high | 141 Ų | 141 | 69 Ų | 69 | 61% | 0.613 | 32% | 0.319 | S | S | * | . | I | π-helix | trans | -72 | -39.7 | 179.1 | -175.7 | -179.8 | 178.1 | -178.3 | 0 | 111.8 | Y347 G348 | Y347-K350 PolarHBondContact O-N 2.84Å; G348-K350 VanDerWaalsContact C-N 3.34Å; G348-K350 PolarHBondContact O-N 3.42Å |
| 351 | L | 94.7 | Very high | 95.7 | Very high | 90 Ų | 90 | 73.6 Ų | 73.6 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | I | π-helix | trans | -77.4 | -42.6 | -174.6 | -67.2 | 175.6 | 0 | 0 | 0 | 112.7 | Y347 G348 R355 | Y347-L351 WeakPolarHBondContact O-CG 3.48Å; Y347-L351 PolarHBondContact O-N 2.81Å; G348-L351 PolarHBondContact O-N 3.46Å; L351-R355 WeakPolarHBondContact O-CD 3.25Å |
| 352 | I | 94.9 | Very high | 95.5 | Very high | 62 Ų | 62 | 78 Ų | 78 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | I | π-helix | trans | -98.7 | -61.4 | -173.2 | -57.5 | 173.1 | 0 | 0 | 0 | 109.5 | F96 W343 G348 R355 | F96-I352 HydrophobicContact CB-CG2 4.04Å; F96-I352 HydrophobicContact CD1-CG2 4.23Å; F96-I352 HydrophobicContact CD2-CD1 4.49Å; F96-I352 HydrophobicContact CD2-CG2 4.21Å; F96-I352 HydrophobicContact CE2-CD1 4.39Å; F96-I352 HydrophobicContact CG-CG2 3.89Å; W343-I352 HydrophobicContact CH2-CD1 3.97Å; G348-I352 WeakPolarHBondContact O-CB 3.32Å; G348-I352 PolarHBondContact O-N 3.37Å; I352-R355 PolarHBondContact O-N 3.48Å |
| 353 | W | 95.6 | Very high | 95.3 | Very high | 10 Ų | 10 | 79.8 Ų | 79.8 | 4% | 0.038 | 36% | 0.363 | C | S | . | . | I | π-helix | trans | -73.7 | -40.7 | -166.4 | -166.8 | -106.3 | 0 | 0 | 0 | 113.9 | F96 A99 A100 Q243 H349 R355 R356 | F96-W353 HydrophobicContact CD1-CE3 4.15Å; F96-W353 HydrophobicContact CD1-CZ3 4.34Å; A99-W353 HydrophobicContact CB-CH2 4.08Å; A99-W353 HydrophobicContact CB-CZ3 4.03Å; A100-W353 HydrophobicContact CB-CZ3 4.4Å; Q243-W353 HydrophobicContact CB-CD2 4.07Å; Q243-W353 HydrophobicContact CB-CE3 4.2Å; Q243-W353 HydrophobicContact CB-CH2 3.72Å; Q243-W353 HydrophobicContact CB-CZ2 3.55Å; Q243-W353 HydrophobicContact CB-CZ3 4.04Å; Q243-W353 VanDerWaalsContact CD-CD1 3.46Å; Q243-W353 VanDerWaalsContact CD-CD2 3.43Å; Q243-W353 HydrophobicContact CG-CD2 3.62Å; Q243-W353 HydrophobicContact CG-CE3 3.76Å; Q243-W353 HydrophobicContact CG-CG 4.09Å; Q243-W353 HydrophobicContact CG-CH2 4.22Å; Q243-W353 HydrophobicContact CG-CZ2 4.09Å; Q243-W353 HydrophobicContact CG-CZ3 4.06Å; Q243-W353 VanDerWaalsContact NE2-CD1 3.34Å; H349-W353 AromaticContact CE1-CD1 3.88Å; H349-W353 WeakPolarHBondContact O-CB 3.33Å; H349-W353 PolarHBondContact O-N 2.91Å; W353-R355 PolarHBondContact O-N 2.86Å; W353-R356 WeakPolarHBondContact O-CB 3.33Å; W353-R356 WeakPolarHBondContact O-CD 3.49Å; W353-R356 WeakPolarHBondContact O-CG 3.48Å; W353-R356 PolarHBondContact O-N 3.02Å; W353-R356 PolarHBondContact O-NH1 3.34Å |
| 354 | R | 93.8 | Very high | 95.1 | Very high | 165 Ų | 165 | 78.9 Ų | 78.9 | 62% | 0.623 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -22.1 | 175.9 | -69.7 | -170.2 | 179.9 | -171.6 | -3.1 | 112.9 | H349 | H349-R354 PolarHBondContact NE2-NE 3.31Å; H349-R354 PolarHBondContact O-N 3.25Å |
| 355 | R | 93.9 | Very high | 94.9 | Very high | 186 Ų | 186 | 83.4 Ų | 83.4 | 70% | 0.702 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 17.1 | 178.1 | -61.5 | -169.2 | 179.3 | -159.6 | -1.2 | 113.6 | L351 I352 W353 E357 P358 | L351-R355 WeakPolarHBondContact O-CD 3.25Å; I352-R355 PolarHBondContact O-N 3.48Å; W353-R355 PolarHBondContact O-N 2.86Å; R355-E357 VanDerWaalsContact C-N 3.3Å; R355-E357 PolarHBondContact O-N 3.24Å; R355-P358 VanDerWaalsContact O-CD 3.26Å; R355-P358 WeakPolarHBondContact O-CD 3.47Å |
| 356 | R | 94.6 | Very high | 94.7 | Very high | 77 Ų | 77 | 88.2 Ų | 88.2 | 29% | 0.291 | 41% | 0.409 | S | S | . | . | trans | -76.6 | -12 | -178 | 76.8 | -166.7 | -179.8 | -67.6 | -0.7 | 114.8 | A100 Q103 W353 L359 V360 | A100-R356 HydrophobicContact CB-CB 3.97Å; A100-R356 HydrophobicContact CB-CG 4.24Å; Q103-R356 VanDerWaalsContact OE1-NE 3.07Å; W353-R356 WeakPolarHBondContact O-CB 3.33Å; W353-R356 WeakPolarHBondContact O-CD 3.49Å; W353-R356 WeakPolarHBondContact O-CG 3.48Å; W353-R356 PolarHBondContact O-N 3.02Å; W353-R356 PolarHBondContact O-NH1 3.34Å; R356-L359 WeakPolarHBondContact O-CB 3.33Å; R356-L359 PolarHBondContact O-N 2.92Å; R356-V360 PolarHBondContact O-N 2.92Å; R356-V360 VanDerWaalsContact O-N 3.13Å | ||
| 357 | E | 93.6 | Very high | 94.3 | Very high | 112 Ų | 112 | 92.2 Ų | 92.2 | 52% | 0.523 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | -174.5 | -172 | -175.9 | 169.4 | 0 | 0 | 114.2 | R355 L359 V360 K361 | R355-E357 VanDerWaalsContact C-N 3.3Å; R355-E357 PolarHBondContact O-N 3.24Å; E357-L359 VanDerWaalsContact C-N 3.27Å; E357-L359 PolarHBondContact O-N 2.91Å; E357-V360 PolarHBondContact O-N 3.24Å; E357-K361 HydrophobicContact CG-CD 4.24Å; E357-K361 HydrophobicContact CG-CG 4.42Å; E357-K361 WeakPolarHBondContact O-CG 3.3Å; E357-K361 PolarHBondContact O-N 3.41Å; E357-K361 WeakPolarHBondContact OE1-CE 3.35Å; E357-K361 IonicContact OE1-NZ 2.93Å; E357-K361 PolarHBondContact OE1-NZ 3.49Å |
| 358 | P | 95.4 | Very high | 93.8 | Very high | 91 Ų | 91 | 88 Ų | 88 | 59% | 0.591 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.8 | -37.7 | 177.5 | -23.5 | 35.5 | 0 | 0 | 0 | 112.8 | R355 K361 L362 | R355-P358 VanDerWaalsContact O-CD 3.26Å; R355-P358 WeakPolarHBondContact O-CD 3.47Å; P358-K361 PolarHBondContact O-N 3.31Å; P358-L362 WeakPolarHBondContact O-CB 3.46Å; P358-L362 PolarHBondContact O-N 3.22Å |
| 359 | L | 94.7 | Very high | 93.1 | Very high | 71 Ų | 71 | 95.4 Ų | 95.4 | 37% | 0.372 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 177.1 | -179.6 | 71.2 | 0 | 0 | 0 | 111.4 | G97 A100 R356 E357 L362 W363 | G97-L359 VanDerWaalsContact CA-CD2 3.48Å; A100-L359 HydrophobicContact CB-CD2 4.4Å; R356-L359 WeakPolarHBondContact O-CB 3.33Å; R356-L359 PolarHBondContact O-N 2.92Å; E357-L359 VanDerWaalsContact C-N 3.27Å; E357-L359 PolarHBondContact O-N 2.91Å; L359-L362 PolarHBondContact O-N 3.37Å; L359-W363 PolarHBondContact O-N 3.03Å |
| 360 | V | 94.2 | Very high | 91.3 | Very high | 21 Ų | 21 | 96.2 Ų | 96.2 | 13% | 0.127 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.8 | -38.6 | 179.2 | 174.9 | 0 | 0 | 0 | 0 | 111 | A100 Y104 R356 E357 W363 H364 | A100-V360 HydrophobicContact CB-CG2 4.29Å; Y104-V360 HydrophobicContact CD1-CG1 4.13Å; Y104-V360 HydrophobicContact CD2-CG1 3.32Å; Y104-V360 HydrophobicContact CE2-CG1 3.97Å; Y104-V360 HydrophobicContact CG-CG1 3.42Å; Y104-V360 VanDerWaalsContact CG-CG1 3.42Å; R356-V360 PolarHBondContact O-N 2.92Å; R356-V360 VanDerWaalsContact O-N 3.13Å; E357-V360 PolarHBondContact O-N 3.24Å; V360-W363 PolarHBondContact O-N 3.49Å; V360-H364 WeakPolarHBondContact O-CB 3.36Å; V360-H364 PolarHBondContact O-N 2.99Å |
| 361 | K | 94.4 | Very high | 89.3 | Confident | 111 Ų | 111 | 92.6 Ų | 92.6 | 48% | 0.483 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.7 | -48.5 | 173.4 | -75.7 | 180 | 178.8 | 169.9 | 0 | 111.6 | E357 P358 W363 H364 E365 | E357-K361 HydrophobicContact CG-CD 4.24Å; E357-K361 HydrophobicContact CG-CG 4.42Å; E357-K361 WeakPolarHBondContact O-CG 3.3Å; E357-K361 PolarHBondContact O-N 3.41Å; E357-K361 WeakPolarHBondContact OE1-CE 3.35Å; E357-K361 IonicContact OE1-NZ 2.93Å; E357-K361 PolarHBondContact OE1-NZ 3.49Å; P358-K361 PolarHBondContact O-N 3.31Å; K361-W363 VanDerWaalsContact C-N 3.3Å; K361-W363 PolarHBondContact O-N 3.1Å; K361-H364 WeakPolarHBondContact O-CB 3.46Å; K361-H364 PolarHBondContact O-N 3.26Å; K361-H364 VanDerWaalsContact O-N 3.16Å; K361-E365 WeakPolarHBondContact O-CG 3.44Å; K361-E365 PolarHBondContact O-N 3.28Å |
| 362 | L | 94.9 | Very high | 87.2 | Confident | 94 Ų | 94 | 97.4 Ų | 97.4 | 49% | 0.492 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -55.7 | -45.9 | 175.3 | 178.4 | 64.5 | 0 | 0 | 0 | 111.4 | P358 L359 E365 L366 | P358-L362 WeakPolarHBondContact O-CB 3.46Å; P358-L362 PolarHBondContact O-N 3.22Å; L359-L362 PolarHBondContact O-N 3.37Å; L362-E365 PolarHBondContact O-N 3.49Å; L362-L366 HydrophobicContact CD1-CD1 4.33Å; L362-L366 HydrophobicContact CD1-CG 4.43Å; L362-L366 HydrophobicContact CG-CD1 4.14Å; L362-L366 VanDerWaalsContact O-CG 3.28Å; L362-L366 WeakPolarHBondContact O-CG 3.35Å; L362-L366 PolarHBondContact O-N 2.99Å |
| 363 | W | 94.2 | Very high | 84.8 | Confident | 90 Ų | 90 | 97.7 Ų | 97.7 | 34% | 0.341 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 176.2 | 174.9 | -103 | 0 | 0 | 0 | 112.6 | I101 E105 L359 V360 K361 E365 L366 R367 | I101-W363 HydrophobicContact CD1-CB 4.44Å; I101-W363 HydrophobicContact CD1-CD2 4.14Å; I101-W363 HydrophobicContact CD1-CE3 4.08Å; I101-W363 HydrophobicContact CD1-CG 4.29Å; I101-W363 HydrophobicContact CG1-CB 4.25Å; I101-W363 HydrophobicContact CG1-CD2 4.35Å; I101-W363 HydrophobicContact CG1-CG 4.09Å; I101-W363 HydrophobicContact CG2-CD2 3.9Å; I101-W363 HydrophobicContact CG2-CG 4.05Å; I101-W363 HydrophobicContact CG2-CZ2 4.13Å; E105-W363 PolarHBondContact OE1-NE1 3.28Å; L359-W363 PolarHBondContact O-N 3.03Å; V360-W363 PolarHBondContact O-N 3.49Å; K361-W363 VanDerWaalsContact C-N 3.3Å; K361-W363 PolarHBondContact O-N 3.1Å; W363-E365 PolarHBondContact O-N 3.39Å; W363-L366 PolarHBondContact O-N 3.23Å; W363-R367 PolarHBondContact O-N 3.43Å; W363-R367 VanDerWaalsContact O-N 3.08Å |
| 364 | H | 93.5 | Very high | 82.3 | Confident | 85 Ų | 85 | 102.4 Ų | 102.4 | 39% | 0.394 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 177.4 | 179.9 | 77 | 0 | 0 | 0 | 111.8 | Y104 V360 K361 R367 S368 | Y104-H364 AromaticContact CZ-ND1 3.83Å; Y104-H364 PolarHBondContact OH-ND1 3.35Å; V360-H364 WeakPolarHBondContact O-CB 3.36Å; V360-H364 PolarHBondContact O-N 2.99Å; K361-H364 WeakPolarHBondContact O-CB 3.46Å; K361-H364 PolarHBondContact O-N 3.26Å; K361-H364 VanDerWaalsContact O-N 3.16Å; H364-R367 PolarHBondContact O-N 3.3Å; H364-S368 VanDerWaalsContact O-CB 3.31Å; H364-S368 WeakPolarHBondContact O-CB 3.46Å; H364-S368 PolarHBondContact O-N 3.19Å; H364-S368 PolarHBondContact O-OG 3.44Å |
| 365 | E | 93.9 | Very high | 79.8 | Confident | 96 Ų | 96 | 105.9 Ų | 105.9 | 45% | 0.449 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 178.4 | -74.5 | 179.5 | -162.1 | 0 | 0 | 112 | K361 L362 W363 R367 S368 K369 | K361-E365 WeakPolarHBondContact O-CG 3.44Å; K361-E365 PolarHBondContact O-N 3.28Å; L362-E365 PolarHBondContact O-N 3.49Å; W363-E365 PolarHBondContact O-N 3.39Å; E365-R367 VanDerWaalsContact C-N 3.3Å; E365-R367 PolarHBondContact O-N 3.2Å; E365-S368 WeakPolarHBondContact CA-OG 3.33Å; E365-S368 PolarHBondContact O-N 2.95Å; E365-S368 PolarHBondContact O-OG 3.13Å; E365-K369 WeakPolarHBondContact O-CG 3.46Å; E365-K369 PolarHBondContact O-N 3.44Å |
| 366 | L | 92.6 | Very high | 77.5 | Confident | 108 Ų | 108 | 103.1 Ų | 103.1 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -56.1 | -45.7 | 177.9 | -73.1 | 170.4 | 0 | 0 | 0 | 111.5 | L362 W363 G370 | L362-L366 HydrophobicContact CD1-CD1 4.33Å; L362-L366 HydrophobicContact CD1-CG 4.43Å; L362-L366 HydrophobicContact CG-CD1 4.14Å; L362-L366 VanDerWaalsContact O-CG 3.28Å; L362-L366 WeakPolarHBondContact O-CG 3.35Å; L362-L366 PolarHBondContact O-N 2.99Å; W363-L366 PolarHBondContact O-N 3.23Å; L366-G370 PolarHBondContact O-N 3.28Å; L366-G370 VanDerWaalsContact O-N 3.12Å |
| 367 | R | 89.3 | Confident | 75.2 | Confident | 134 Ų | 134 | 103.4 Ų | 103.4 | 51% | 0.506 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.7 | -37 | 179.8 | -166.8 | 176.3 | -178.6 | 163 | 1.5 | 112.7 | E105 W363 H364 E365 G371 | E105-R367 IonicContact OE1-CZ 2.72Å; E105-R367 IonicContact OE1-NH1 3.41Å; E105-R367 PolarHBondContact OE1-NH1 2.84Å; E105-R367 IonicContact OE2-CZ 2.91Å; E105-R367 IonicContact OE2-NH1 3.68Å; E105-R367 PolarHBondContact OE2-NH1 2.95Å; W363-R367 PolarHBondContact O-N 3.43Å; W363-R367 VanDerWaalsContact O-N 3.08Å; H364-R367 PolarHBondContact O-N 3.3Å; E365-R367 VanDerWaalsContact C-N 3.3Å; E365-R367 PolarHBondContact O-N 3.2Å; R367-G371 PolarHBondContact O-N 3.48Å |
| 368 | S | 87 | Confident | 72.5 | Confident | 57 Ų | 57 | 101.5 Ų | 101.5 | 40% | 0.399 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.7 | -37.2 | 178.3 | 72.4 | 0 | 0 | 0 | 0 | 112.6 | H364 E365 | H364-S368 VanDerWaalsContact O-CB 3.31Å; H364-S368 WeakPolarHBondContact O-CB 3.46Å; H364-S368 PolarHBondContact O-N 3.19Å; H364-S368 PolarHBondContact O-OG 3.44Å; E365-S368 WeakPolarHBondContact CA-OG 3.33Å; E365-S368 PolarHBondContact O-N 2.95Å; E365-S368 PolarHBondContact O-OG 3.13Å |
| 369 | K | 79.2 | Confident | 69.8 | Low | 156 Ų | 156 | 100.4 Ų | 100.4 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -71.7 | -40.2 | 176.1 | -73 | 178.4 | 179.2 | 173.4 | 0 | 111.8 | E365 G371 K372 | E365-K369 WeakPolarHBondContact O-CG 3.46Å; E365-K369 PolarHBondContact O-N 3.44Å; K369-G371 PolarHBondContact O-N 3.1Å; K369-K372 PolarHBondContact O-N 2.85Å |
| 370 | G | 58.9 | Low | 67.4 | Low | 64 Ų | 64 | 103 Ų | 103 | 66% | 0.66 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.8 | -23.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L366 | L366-G370 PolarHBondContact O-N 3.28Å; L366-G370 VanDerWaalsContact O-N 3.12Å |
| 371 | G | 52.5 | Low | 64.9 | Low | 65 Ų | 65 | 110.3 Ų | 110.3 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -12.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R367 K369 | R367-G371 PolarHBondContact O-N 3.48Å; K369-G371 PolarHBondContact O-N 3.1Å |
| 372 | K | 49.7 | Very low | 62.5 | Low | 190 Ų | 190 | 111.8 Ų | 111.8 | 83% | 0.826 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | 3.7 | -178.4 | -78 | -172.6 | 175.9 | -176.8 | 0 | 114.5 | K369 S374 | K369-K372 PolarHBondContact O-N 2.85Å; K372-S374 PolarHBondContact O-N 3.21Å |
| 373 | G | 46.1 | Very low | 59.8 | Low | 69 Ų | 69 | 117.7 Ų | 117.7 | 71% | 0.711 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -83.2 | 9.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 374 | S | 42.8 | Very low | 57.6 | Low | 109 Ų | 109 | 117 Ų | 117 | 76% | 0.762 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -142 | 40.5 | -171.8 | -48.8 | 0 | 0 | 0 | 0 | 115.3 | K372 | K372-S374 PolarHBondContact O-N 3.21Š|
| 375 | R | 41.2 | Very low | 55.1 | Low | 238 Ų | 238 | 124.8 Ų | 124.8 | 90% | 0.898 | 73% | 0.728 | S | S | * | * | trans | -136.1 | 99 | 160.2 | -75.5 | -171.1 | 175.3 | -177.1 | -2 | 110.3 | G377 | R375-G377 PolarHBondContact O-N 2.94Å; R375-G377 VanDerWaalsContact O-N 3.14Å | ||
| 376 | P | 44.6 | Very low | 52.7 | Low | 128 Ų | 128 | 124 Ų | 124 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | -72.9 | 100.8 | 155.7 | 26.2 | -18.6 | 0 | 0 | 0 | 106.8 | G378 | P376-G378 PolarHBondContact O-N 3.36Å; P376-G378 VanDerWaalsContact O-N 3.16Å | ||
| 377 | G | 45.9 | Very low | 50.1 | Low | 82 Ų | 82 | 122.9 Ų | 122.9 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | trans | -71.1 | 96.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | R375 | R375-G377 PolarHBondContact O-N 2.94Å; R375-G377 VanDerWaalsContact O-N 3.14Å | ||
| 378 | G | 37.7 | Very low | 47.9 | Very low | 72 Ų | 72 | 119.9 Ų | 119.9 | 74% | 0.742 | 77% | 0.771 | S | S | * | * | trans | -114.8 | 83.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | P376 | P376-G378 PolarHBondContact O-N 3.36Å; P376-G378 VanDerWaalsContact O-N 3.16Å | ||
| 379 | G | 39.1 | Very low | 45.7 | Very low | 69 Ų | 69 | 126.3 Ų | 126.3 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -71.9 | 135.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | E381 | G379-E381 PolarHBondContact O-N 3.42Š| ||
| 380 | P | 43.6 | Very low | 43.9 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -69 | 118.8 | 174.5 | 26.3 | -29.9 | 0 | 0 | 0 | 109.4 | V382 | P380-V382 PolarHBondContact O-N 3.14Š| ||
| 381 | E | 41.9 | Very low | 43.1 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | trans | -59.7 | 111.3 | 168.8 | -167.5 | 178.5 | -173.5 | 0 | 0 | 109 | G379 R383 | G379-E381 PolarHBondContact O-N 3.42Å; E381-R383 PolarHBondContact O-N 3.29Å | ||
| 382 | V | 43.5 | Very low | 42.6 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 86% | 0.855 | 84% | 0.837 | S | S | * | * | trans | -70 | 94.3 | 173.8 | 177.1 | 0 | 0 | 0 | 0 | 107.9 | P380 G384 | P380-V382 PolarHBondContact O-N 3.14Å; V382-G384 PolarHBondContact O-N 3.35Å | ||
| 383 | R | 39.7 | Very low | 42.3 | Very low | 219 Ų | 219 | 135.5 Ų | 135.5 | 83% | 0.826 | 84% | 0.837 | S | S | * | * | trans | -68.7 | 106.4 | 165.5 | -96.9 | -175.7 | 177.8 | -161.5 | -1.3 | 108.9 | E381 R385 | E381-R383 PolarHBondContact O-N 3.29Å; R383-R385 PolarHBondContact O-N 3.37Å | ||
| 384 | G | 46 | Very low | 42 | Very low | 76 Ų | 76 | 139.4 Ų | 139.4 | 78% | 0.784 | 85% | 0.845 | S | S | * | * | trans | -58.2 | 117.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V382 | V382-G384 PolarHBondContact O-N 3.35Š| ||
| 385 | R | 41.6 | Very low | 42 | Very low | 248 Ų | 248 | 141.3 Ų | 141.3 | 94% | 0.936 | 85% | 0.85 | S | S | * | * | trans | -93.2 | 112.2 | 161.3 | -94 | -173.3 | 175 | -165 | -1 | 107.9 | R383 | R383-R385 PolarHBondContact O-N 3.37Š| ||
| 386 | G | 44.9 | Very low | 42 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 81% | 0.814 | 85% | 0.847 | S | S | * | * | trans | -77.2 | 157.4 | 156 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 387 | G | 37.8 | Very low | 41.9 | Very low | 84 Ų | 84 | 135.4 Ų | 135.4 | 87% | 0.866 | 85% | 0.848 | S | S | * | * | trans | 118.3 | 117.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 388 | G | 41.3 | Very low | 41.5 | Very low | 72 Ų | 72 | 139.5 Ų | 139.5 | 74% | 0.742 | 85% | 0.848 | S | S | * | * | cis | 126.6 | 123.3 | 18.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 389 | Q | 42 | Very low | 41.9 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 90% | 0.897 | 86% | 0.857 | S | S | * | * | trans | 64.6 | 139.4 | 169.9 | -59.1 | 173.8 | -2 | 0 | 0 | 115.3 | ||||
| 390 | Q | 41.1 | Very low | 42.1 | Very low | 261 Ų | 261 | 152 Ų | 152 | 100% | 1.22 | 87% | 0.87 | S | S | * | * | cis | -137.9 | 0 | 20.7 | -71.2 | 174.9 | -7.7 | 0 | 0 | 110.8 |
Retrieved 390 of 390 residues in 116.1 ms
(Link to these results)