| 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 | 37.8 | Very low | 35.8 | Very low | 233 Ų | 233 | 165.6 Ų | 165.6 | 100% | 1.148 | 86% | 0.862 | S | S | * | * | 0 | 101.7 | 0 | -173 | 176.9 | -163.7 | 0 | 0 | 107 | |||||
| 2 | F | 27.5 | Very low | 35.8 | Very low | 217 Ų | 217 | 165.1 Ų | 165.1 | 95% | 0.952 | 86% | 0.859 | S | S | * | * | trans | 179.5 | 104.6 | 161.9 | -99 | -70.2 | 0 | 0 | 0 | 107.3 | ||||
| 3 | R | 32.5 | Very low | 35.9 | Very low | 244 Ų | 244 | 164.1 Ų | 164.1 | 92% | 0.921 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 132.9 | 168.5 | -79.2 | -176.3 | 173.9 | -174.9 | -0.4 | 107.3 | ||
| 4 | P | 37.7 | Very low | 36 | Very low | 129 Ų | 129 | 158.5 Ų | 158.5 | 84% | 0.838 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 137.9 | 165.1 | 3 | 15.6 | 0 | 0 | 0 | 110.6 | ||
| 5 | N | 30.7 | Very low | 35.9 | Very low | 153 Ų | 153 | 159 Ų | 159 | 82% | 0.818 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 120.6 | -171.6 | -154.2 | -0.6 | 0 | 0 | 0 | 110.7 | A7 | N5-A7 VanDerWaalsContact C-N 3.29Å; N5-A7 PolarHBondContact O-N 3.37Å |
| 6 | M | 37.4 | Very low | 35.9 | Very low | 201 Ų | 201 | 155.3 Ų | 155.3 | 99% | 0.99 | 84% | 0.836 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.7 | 59.9 | -179.2 | -92.6 | -168.2 | 165.3 | 0 | 0 | 112.2 | ||
| 7 | A | 39.1 | Very low | 35.8 | Very low | 82 Ų | 82 | 155.2 Ų | 155.2 | 68% | 0.678 | 84% | 0.836 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116 | -8.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | N5 | N5-A7 VanDerWaalsContact C-N 3.29Å; N5-A7 PolarHBondContact O-N 3.37Å |
| 8 | S | 40.6 | Very low | 36.2 | Very low | 103 Ų | 103 | 159.5 Ų | 159.5 | 72% | 0.72 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -100.6 | 2.3 | -168.9 | -169 | 0 | 0 | 0 | 0 | 116.6 | ||
| 9 | L | 36.8 | Very low | 36.2 | Very low | 154 Ų | 154 | 159.9 Ų | 159.9 | 81% | 0.806 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -104.8 | 3.1 | -171.3 | -106.2 | 134.8 | 0 | 0 | 0 | 115.6 | ||
| 10 | K | 36.1 | Very low | 36.1 | Very low | 201 Ų | 201 | 160.3 Ų | 160.3 | 87% | 0.874 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -94 | -7.9 | 178.6 | -73.5 | -174.4 | 177.3 | -177.3 | 0 | 114.9 | ||
| 11 | S | 37.1 | Very low | 36.1 | Very low | 105 Ų | 105 | 158.1 Ų | 158.1 | 73% | 0.734 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -96.5 | -7.6 | -175.7 | -161.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 12 | L | 36.6 | Very low | 36 | Very low | 159 Ų | 159 | 153 Ų | 153 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -100 | -1.9 | -174.4 | -85.4 | 162.2 | 0 | 0 | 0 | 115 | ||
| 13 | L | 36.5 | Very low | 36.2 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -108 | 3.9 | -178.8 | -87 | 155.1 | 0 | 0 | 0 | 114.2 | ||
| 14 | A | 37.4 | Very low | 36.2 | Very low | 86 Ų | 86 | 151 Ų | 151 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -99 | -0.8 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 15 | L | 34.4 | Very low | 35.9 | Very low | 166 Ų | 166 | 153.5 Ų | 153.5 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -113.2 | 6.1 | -172.1 | -122.2 | 103.4 | 0 | 0 | 0 | 116.8 | ||
| 16 | S | 36.6 | Very low | 35.9 | Very low | 99 Ų | 99 | 154.6 Ų | 154.6 | 69% | 0.692 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -101.6 | 3 | -175.1 | 78.2 | 0 | 0 | 0 | 0 | 116.3 | ||
| 17 | N | 33.8 | Very low | 35.6 | Very low | 155 Ų | 155 | 151.6 Ų | 151.6 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -112.3 | 14.6 | -172.8 | -90.4 | 7 | 0 | 0 | 0 | 115.7 | ||
| 18 | R | 43 | Very low | 35.2 | Very low | 232 Ų | 232 | 153.2 Ų | 153.2 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -131.1 | 93.8 | 168.3 | -72.3 | -174 | -171.4 | -148.1 | 2.4 | 108.3 | ||
| 19 | L | 36.9 | Very low | 34.9 | Very low | 167 Ų | 167 | 154.8 Ų | 154.8 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | trans | 164.9 | 95.6 | 151.7 | -89.4 | 162.2 | 0 | 0 | 0 | 106.9 | ||||
| 20 | L | 33 | Very low | 34.6 | Very low | 167 Ų | 167 | 153.5 Ų | 153.5 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | 166.2 | 105 | 149.1 | -90.1 | 150 | 0 | 0 | 0 | 109.3 | ||||
| 21 | P | 35.7 | Very low | 34.2 | Very low | 115 Ų | 115 | 151.1 Ų | 151.1 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | trans | -119.9 | 168.7 | 132.9 | 35.2 | -26.5 | 0 | 0 | 0 | 109.8 | ||||
| 22 | T | 35.8 | Very low | 34.1 | Very low | 125 Ų | 125 | 153.4 Ų | 153.4 | 77% | 0.767 | 82% | 0.815 | S | S | * | * | trans | 82.7 | 93.8 | 178.1 | 78.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 23 | L | 32.1 | Very low | 33.8 | Very low | 179 Ų | 179 | 154.7 Ų | 154.7 | 94% | 0.937 | 81% | 0.814 | S | S | * | * | -172.8 | 90.4 | 123.3 | -97.2 | 158.1 | 0 | 0 | 0 | 108.9 | |||||
| 24 | R | 32.7 | Very low | 33.6 | Very low | 241 Ų | 241 | 158.5 Ų | 158.5 | 91% | 0.909 | 82% | 0.818 | S | S | * | * | trans | -96.2 | 115.1 | 164.5 | 178.7 | -177.4 | -173 | -179.1 | 2.5 | 106.3 | ||||
| 25 | K | 32.7 | Very low | 33.3 | Very low | 182 Ų | 182 | 159.9 Ų | 159.9 | 79% | 0.791 | 82% | 0.818 | S | S | * | * | trans | -178.4 | 127.5 | 145.5 | -102.1 | 166.1 | -174.6 | -174.5 | 0 | 112.4 | ||||
| 26 | Q | 30.4 | Very low | 33.1 | Very low | 176 Ų | 176 | 160.8 Ų | 160.8 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | 68.8 | 108.3 | 143.8 | -64.8 | 174.3 | -12.8 | 0 | 0 | 119.7 | ||||
| 27 | T | 30.1 | Very low | 32.9 | Very low | 137 Ų | 137 | 165.4 Ų | 165.4 | 84% | 0.84 | 82% | 0.823 | S | S | * | * | trans | -121.4 | 123.2 | 154.2 | 42.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 28 | P | 31.4 | Very low | 32.8 | Very low | 117 Ų | 117 | 165.6 Ų | 165.6 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -82.2 | 145.9 | 168.8 | 32.4 | -29.6 | 0 | 0 | 0 | 110.9 | ||||
| 29 | V | 33.4 | Very low | 32.4 | Very low | 135 Ų | 135 | 160 Ų | 160 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -72.9 | 119.9 | 176 | 175 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 30 | T | 30.3 | Very low | 32.2 | Very low | 128 Ų | 128 | 156.8 Ų | 156.8 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | trans | -107.5 | 116.8 | 168 | 43.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 31 | N | 29.5 | Very low | 32.1 | Very low | 150 Ų | 150 | 156.3 Ų | 156.3 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -79.6 | 124.6 | 179.9 | -141.2 | -59.4 | 0 | 0 | 0 | 109.6 | ||||
| 32 | I | 33.8 | Very low | 32 | Very low | 154 Ų | 154 | 160.5 Ų | 160.5 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -91.1 | 107.6 | 177.1 | -65.5 | 172 | 0 | 0 | 0 | 108.7 | ||||
| 33 | K | 31 | Very low | 31.9 | Very low | 186 Ų | 186 | 163.8 Ų | 163.8 | 81% | 0.809 | 82% | 0.822 | S | S | * | * | trans | -76.1 | 124.8 | 168.7 | -75.2 | -175.7 | 176.4 | -178 | 0 | 109.9 | ||||
| 34 | R | 31.8 | Very low | 31.8 | Very low | 231 Ų | 231 | 166.7 Ų | 166.7 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -71.8 | 125.4 | 165.4 | -84.1 | 177.1 | 167.6 | 164.7 | -4.2 | 109.5 | ||||
| 35 | T | 31.3 | Very low | 32 | Very low | 115 Ų | 115 | 159.1 Ų | 159.1 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | -114.2 | 114.2 | 167.5 | -38.8 | 0 | 0 | 0 | 0 | 108.7 | F37 | T35-F37 HydrophobicContact CG2-CE2 4.44Š| ||
| 36 | F | 30.3 | Very low | 32 | Very low | 186 Ų | 186 | 158.3 Ų | 158.3 | 82% | 0.816 | 81% | 0.814 | S | S | * | * | trans | -74.3 | 131.7 | 168.2 | -88.3 | -99.4 | 0 | 0 | 0 | 109.2 | ||||
| 37 | F | 31.6 | Very low | 32.8 | Very low | 196 Ų | 196 | 153.6 Ų | 153.6 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -109.1 | 116.1 | 164.1 | -94.9 | -87.7 | 0 | 0 | 0 | 109.2 | T35 | T35-F37 HydrophobicContact CG2-CE2 4.44Š| ||
| 38 | L | 31.7 | Very low | 32.9 | Very low | 159 Ų | 159 | 158.2 Ų | 158.2 | 83% | 0.832 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 152.9 | 165.6 | -83.4 | 154.8 | 0 | 0 | 0 | 110 | ||
| 39 | P | 34.2 | Very low | 33.2 | Very low | 114 Ų | 114 | 162 Ų | 162 | 74% | 0.74 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 130.7 | -179.9 | 32.8 | -29.7 | 0 | 0 | 0 | 110.8 | ||
| 40 | A | 32.6 | Very low | 33.2 | Very low | 99 Ų | 99 | 160.6 Ų | 160.6 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 118.2 | 169 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 41 | L | 32.8 | Very low | 33.8 | Very low | 158 Ų | 158 | 161.3 Ų | 161.3 | 83% | 0.827 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63 | 126.7 | 162.8 | -109.8 | 90.5 | 0 | 0 | 0 | 109.3 | ||
| 42 | F | 32.2 | Very low | 34 | Very low | 202 Ų | 202 | 163.1 Ų | 163.1 | 89% | 0.886 | 81% | 0.809 | S | S | * | * | trans | -126.7 | 112.4 | 158.3 | -126.9 | -93.4 | 0 | 0 | 0 | 109 | ||||
| 43 | K | 34.6 | Very low | 34.5 | Very low | 194 Ų | 194 | 158.5 Ų | 158.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -87 | 130.7 | 164.1 | -102.2 | -176.4 | 175.1 | -179.8 | 0 | 107.8 | ||||
| 44 | R | 29.2 | Very low | 34.9 | Very low | 241 Ų | 241 | 160.7 Ų | 160.7 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -149.5 | 139.8 | 141.6 | -149.6 | 169.6 | -174.8 | 164 | 1.2 | 111.3 | ||||
| 45 | A | 36.7 | Very low | 35.4 | Very low | 82 Ų | 82 | 158.7 Ų | 158.7 | 68% | 0.678 | 80% | 0.801 | S | S | * | * | trans | -71.2 | 134.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 46 | D | 33.3 | Very low | 35.8 | Very low | 165 Ų | 165 | 157.6 Ų | 157.6 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | -174.4 | 137.2 | 118 | -97.6 | -25.9 | 0 | 0 | 0 | 110.2 | R48 | D46-R48 PolarHBondContact O-N 3.47Š| |||
| 47 | G | 47.5 | Very low | 36.9 | Very low | 76 Ų | 76 | 152.4 Ų | 152.4 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | trans | -71.3 | 116.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 48 | R | 32 | Very low | 38 | Very low | 234 Ų | 234 | 146.7 Ų | 146.7 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | -165.9 | 111.1 | 143.8 | -104.6 | 171.9 | -145.8 | -163.6 | 5.7 | 108.9 | D46 V50 | D46-R48 PolarHBondContact O-N 3.47Å; R48-V50 PolarHBondContact O-N 2.59Å | ||
| 49 | F | 38.5 | Very low | 39.1 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | trans | -69.7 | 109.3 | 164.1 | -115 | -97.4 | 0 | 0 | 0 | 107.7 | I51 | F49-I51 HydrophobicContact CD1-CD1 4.49Å; F49-I51 HydrophobicContact CD1-CG1 4.06Å; F49-I51 HydrophobicContact CE1-CG1 4.45Å | ||
| 50 | V | 32.9 | Very low | 40.2 | Very low | 104 Ų | 104 | 141 Ų | 141 | 63% | 0.63 | 74% | 0.744 | S | S | * | * | trans | -122.1 | 103.3 | 158.4 | -177.3 | 0 | 0 | 0 | 0 | 106.6 | R48 F52 | R48-V50 PolarHBondContact O-N 2.59Å; V50-F52 VanDerWaalsContact C-N 3.32Å; V50-F52 HydrophobicContact CG1-CD2 3.93Å; V50-F52 PolarHBondContact O-N 2.77Å | ||
| 51 | I | 43 | Very low | 41.4 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | trans | -66.7 | 94.2 | 167.7 | -61.8 | 173 | 0 | 0 | 0 | 106.2 | F49 G53 | F49-I51 HydrophobicContact CD1-CD1 4.49Å; F49-I51 HydrophobicContact CD1-CG1 4.06Å; F49-I51 HydrophobicContact CE1-CG1 4.45Å; I51-G53 VanDerWaalsContact C-N 3.27Å; I51-G53 PolarHBondContact O-N 3.27Å | ||
| 52 | F | 33.9 | Very low | 42.7 | Very low | 187 Ų | 187 | 135.3 Ų | 135.3 | 82% | 0.82 | 71% | 0.706 | S | S | * | * | trans | -85 | 83.8 | 162.5 | -122.1 | -87.1 | 0 | 0 | 0 | 108.4 | V50 R54 | V50-F52 VanDerWaalsContact C-N 3.32Å; V50-F52 HydrophobicContact CG1-CD2 3.93Å; V50-F52 PolarHBondContact O-N 2.77Å; F52-R54 PolarHBondContact O-N 2.85Å | ||
| 53 | G | 44.3 | Very low | 44.2 | Very low | 58 Ų | 58 | 127.8 Ų | 127.8 | 60% | 0.598 | 68% | 0.681 | S | S | * | * | trans | -61 | 115.8 | 162 | 0 | 0 | 0 | 0 | 0 | 109.6 | I51 | I51-G53 VanDerWaalsContact C-N 3.27Å; I51-G53 PolarHBondContact O-N 3.27Å | ||
| 54 | R | 38.7 | Very low | 45.7 | Very low | 232 Ų | 232 | 125.1 Ų | 125.1 | 88% | 0.875 | 67% | 0.672 | S | S | * | * | trans | -151 | 75.8 | 141.3 | -129 | 175.3 | -179.6 | -179.1 | -0.3 | 107.8 | F52 C56 | F52-R54 PolarHBondContact O-N 2.85Å; R54-C56 PolarHBondContact O-N 2.86Å; R54-C56 VanDerWaalsContact O-N 3.11Å | ||
| 55 | K | 41.3 | Very low | 47.6 | Very low | 189 Ų | 189 | 120.7 Ų | 120.7 | 82% | 0.822 | 66% | 0.659 | S | S | * | * | trans | -57 | 116 | 152.4 | -80.1 | -177.1 | 176.1 | -177.8 | 0 | 105.2 | S57 | K55-S57 PolarHBondContact O-N 3.38Š| ||
| 56 | C | 40.3 | Very low | 49.3 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 62% | 0.622 | 65% | 0.653 | S | S | * | * | trans | -61.6 | 78.8 | 152.4 | -104.9 | 0 | 0 | 0 | 0 | 106.4 | R54 S58 | R54-C56 PolarHBondContact O-N 2.86Å; R54-C56 VanDerWaalsContact O-N 3.11Å; C56-S58 VanDerWaalsContact C-N 3.26Å | ||
| 57 | S | 53.3 | Low | 51.4 | Low | 76 Ų | 76 | 118.5 Ų | 118.5 | 53% | 0.531 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -78.1 | -18.3 | -175.7 | -157.9 | 0 | 0 | 0 | 0 | 110.9 | K55 A61 | K55-S57 PolarHBondContact O-N 3.38Å; S57-A61 WeakPolarHBondContact O-CB 3.19Å; S57-A61 PolarHBondContact O-N 2.96Å |
| 58 | S | 54.4 | Low | 53 | Low | 76 Ų | 76 | 119.6 Ų | 119.6 | 53% | 0.531 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -71.8 | -50.6 | 176.3 | 53.6 | 0 | 0 | 0 | 0 | 111.5 | C56 A60 A61 D62 | C56-S58 VanDerWaalsContact C-N 3.26Å; S58-A60 PolarHBondContact O-N 2.85Å; S58-A61 PolarHBondContact O-N 3.19Å; S58-D62 VanDerWaalsContact O-CB 3.27Å; S58-D62 WeakPolarHBondContact O-CB 3.39Å; S58-D62 VanDerWaalsContact O-CG 3.27Å; S58-D62 PolarHBondContact O-N 3.4Å |
| 59 | T | 55.4 | Low | 55.5 | Low | 93 Ų | 93 | 110.6 Ų | 110.6 | 57% | 0.571 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.6 | -35.3 | -178.2 | 10.5 | 0 | 0 | 0 | 0 | 113.3 | A63 | T59-A63 WeakPolarHBondContact O-CB 3.48Å; T59-A63 PolarHBondContact O-N 3.34Å |
| 60 | A | 56.6 | Low | 57.8 | Low | 60 Ų | 60 | 107.7 Ų | 107.7 | 50% | 0.496 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -72.6 | -40.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S58 A63 E64 | S58-A60 PolarHBondContact O-N 2.85Å; A60-A63 PolarHBondContact O-N 3.47Å; A60-E64 PolarHBondContact O-N 3.24Å |
| 61 | A | 58.9 | Low | 60.5 | Low | 41 Ų | 41 | 106.1 Ų | 106.1 | 34% | 0.339 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -72.5 | -32.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S57 S58 K65 | S57-A61 WeakPolarHBondContact O-CB 3.19Å; S57-A61 PolarHBondContact O-N 2.96Å; S58-A61 PolarHBondContact O-N 3.19Å; A61-K65 PolarHBondContact O-N 3.33Å; A61-K65 VanDerWaalsContact O-N 3.08Å |
| 62 | D | 60.7 | Low | 62.6 | Low | 98 Ų | 98 | 102.3 Ų | 102.3 | 52% | 0.524 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -73.3 | -34.6 | 173.9 | -72.4 | -33 | 0 | 0 | 0 | 111.5 | S58 S66 | S58-D62 VanDerWaalsContact O-CB 3.27Å; S58-D62 WeakPolarHBondContact O-CB 3.39Å; S58-D62 VanDerWaalsContact O-CG 3.27Å; S58-D62 PolarHBondContact O-N 3.4Å; D62-S66 VanDerWaalsContact O-CB 3.27Å; D62-S66 WeakPolarHBondContact O-CB 3.46Å; D62-S66 PolarHBondContact O-N 2.93Å |
| 63 | A | 62.8 | Low | 65.4 | Low | 44 Ų | 44 | 101.2 Ų | 101.2 | 36% | 0.364 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112 | T59 A60 K65 S66 E67 | T59-A63 WeakPolarHBondContact O-CB 3.48Å; T59-A63 PolarHBondContact O-N 3.34Å; A60-A63 PolarHBondContact O-N 3.47Å; A63-K65 PolarHBondContact O-N 3.08Å; A63-S66 WeakPolarHBondContact O-CB 3.12Å; A63-S66 PolarHBondContact O-N 2.8Å; A63-E67 WeakPolarHBondContact O-CG 3.43Å; A63-E67 PolarHBondContact O-N 2.95Å |
| 64 | E | 65.4 | Low | 67.6 | Low | 137 Ų | 137 | 103.6 Ų | 103.6 | 64% | 0.64 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.9 | -43.3 | 175.4 | -82.2 | -171.6 | 159.7 | 0 | 0 | 112.3 | A60 S66 E67 D68 | A60-E64 PolarHBondContact O-N 3.24Å; E64-S66 VanDerWaalsContact C-N 3.33Å; E64-S66 PolarHBondContact O-N 3.44Å; E64-E67 PolarHBondContact O-N 3.36Å; E64-D68 WeakPolarHBondContact O-CB 3.42Å; E64-D68 PolarHBondContact O-N 2.82Å |
| 65 | K | 69.3 | Low | 70.2 | Confident | 149 Ų | 149 | 95.1 Ų | 95.1 | 65% | 0.648 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.3 | -37.9 | 175.6 | -84.7 | 179.7 | 179.2 | 172.4 | 0 | 113.1 | A61 A63 A69 | A61-K65 PolarHBondContact O-N 3.33Å; A61-K65 VanDerWaalsContact O-N 3.08Å; A63-K65 PolarHBondContact O-N 3.08Å; K65-A69 VanDerWaalsContact O-CB 3.28Å; K65-A69 WeakPolarHBondContact O-CB 3.44Å; K65-A69 PolarHBondContact O-N 3.31Å |
| 66 | S | 73 | Confident | 72.7 | Confident | 77 Ų | 77 | 88.9 Ų | 88.9 | 54% | 0.538 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 175.8 | 156.8 | 0 | 0 | 0 | 0 | 111.2 | D62 A63 E64 A69 F70 | D62-S66 VanDerWaalsContact O-CB 3.27Å; D62-S66 WeakPolarHBondContact O-CB 3.46Å; D62-S66 PolarHBondContact O-N 2.93Å; A63-S66 WeakPolarHBondContact O-CB 3.12Å; A63-S66 PolarHBondContact O-N 2.8Å; E64-S66 VanDerWaalsContact C-N 3.33Å; E64-S66 PolarHBondContact O-N 3.44Å; S66-A69 PolarHBondContact O-N 3.13Å; S66-F70 WeakPolarHBondContact O-CB 3.49Å; S66-F70 PolarHBondContact O-N 3.49Å |
| 67 | E | 77.8 | Confident | 75.3 | Confident | 124 Ų | 124 | 89.6 Ų | 89.6 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.2 | -41.2 | 177.8 | -71.8 | -177.2 | -176.4 | 0 | 0 | 112.2 | A63 E64 F70 L71 | A63-E67 WeakPolarHBondContact O-CG 3.43Å; A63-E67 PolarHBondContact O-N 2.95Å; E64-E67 PolarHBondContact O-N 3.36Å; E67-F70 PolarHBondContact O-N 3.05Å; E67-L71 WeakPolarHBondContact O-CB 3.35Å; E67-L71 VanDerWaalsContact O-CG 3.3Å; E67-L71 WeakPolarHBondContact O-CG 3.15Å; E67-L71 PolarHBondContact O-N 3.17Å |
| 68 | D | 80.4 | Confident | 77.2 | Confident | 98 Ų | 98 | 89.8 Ų | 89.8 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 174.9 | -87.9 | -18.3 | 0 | 0 | 0 | 112.6 | E64 K72 | E64-D68 WeakPolarHBondContact O-CB 3.42Å; E64-D68 PolarHBondContact O-N 2.82Å; D68-K72 VanDerWaalsContact O-CB 3.24Å; D68-K72 WeakPolarHBondContact O-CB 3.37Å; D68-K72 PolarHBondContact O-N 3.48Å |
| 69 | A | 83.4 | Confident | 79.2 | Confident | 45 Ų | 45 | 86.7 Ų | 86.7 | 37% | 0.372 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.7 | -43 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K65 S66 K72 W73 | K65-A69 VanDerWaalsContact O-CB 3.28Å; K65-A69 WeakPolarHBondContact O-CB 3.44Å; K65-A69 PolarHBondContact O-N 3.31Å; S66-A69 PolarHBondContact O-N 3.13Å; A69-K72 PolarHBondContact O-N 2.85Å; A69-W73 PolarHBondContact O-N 2.73Å; A69-W73 VanDerWaalsContact O-N 3.13Å |
| 70 | F | 88.4 | Confident | 81.2 | Confident | 137 Ų | 137 | 84.9 Ų | 84.9 | 60% | 0.601 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.1 | -50.6 | 175.3 | 175.9 | -99.3 | 0 | 0 | 0 | 111.5 | S66 E67 K72 W73 F74 | S66-F70 WeakPolarHBondContact O-CB 3.49Å; S66-F70 PolarHBondContact O-N 3.49Å; E67-F70 PolarHBondContact O-N 3.05Å; F70-K72 VanDerWaalsContact C-N 3.3Å; F70-K72 PolarHBondContact O-N 2.76Å; F70-W73 PolarHBondContact O-N 2.84Å; F70-F74 HydrophobicContact CE1-CB 4.43Å; F70-F74 HydrophobicContact CZ-CD2 4.38Å; F70-F74 WeakPolarHBondContact O-CB 3.39Å; F70-F74 PolarHBondContact O-N 2.83Å |
| 71 | L | 88.3 | Confident | 83.1 | Confident | 72 Ų | 72 | 84.7 Ų | 84.7 | 38% | 0.377 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 177.5 | -75.4 | 169.6 | 0 | 0 | 0 | 112.2 | E67 L75 | E67-L71 WeakPolarHBondContact O-CB 3.35Å; E67-L71 VanDerWaalsContact O-CG 3.3Å; E67-L71 WeakPolarHBondContact O-CG 3.15Å; E67-L71 PolarHBondContact O-N 3.17Å; L71-L75 VanDerWaalsContact O-CB 3.31Å; L71-L75 WeakPolarHBondContact O-CB 3.37Å; L71-L75 VanDerWaalsContact O-CG 3.29Å; L71-L75 WeakPolarHBondContact O-CG 3.31Å; L71-L75 PolarHBondContact O-N 2.63Å |
| 72 | K | 88.7 | Confident | 84.9 | Confident | 63 Ų | 63 | 83.3 Ų | 83.3 | 27% | 0.274 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 175.7 | 178.3 | 179.6 | 175.9 | -179.1 | 0 | 111.3 | D68 A69 F70 L76 W298 F302 | D68-K72 VanDerWaalsContact O-CB 3.24Å; D68-K72 WeakPolarHBondContact O-CB 3.37Å; D68-K72 PolarHBondContact O-N 3.48Å; A69-K72 PolarHBondContact O-N 2.85Å; F70-K72 VanDerWaalsContact C-N 3.3Å; F70-K72 PolarHBondContact O-N 2.76Å; K72-L76 PolarHBondContact O-N 3.09Å; K72-W298 HydrophobicContact CD-CZ2 4.26Å; K72-W298 HydrophobicContact CG-CZ2 3.62Å; K72-W298 PolarHBondContact O-NE1 2.73Å; K72-F302 HydrophobicContact CB-CD1 3.93Å; K72-F302 HydrophobicContact CB-CD2 4.46Å; K72-F302 HydrophobicContact CB-CE1 3.84Å; K72-F302 HydrophobicContact CB-CE2 4.39Å; K72-F302 HydrophobicContact CB-CG 4.24Å; K72-F302 HydrophobicContact CB-CZ 4.08Å; K72-F302 HydrophobicContact CD-CB 4.33Å; K72-F302 HydrophobicContact CD-CD1 4.37Å; K72-F302 HydrophobicContact CD-CG 4.39Å; K72-F302 HydrophobicContact CG-CB 4.29Å; K72-F302 HydrophobicContact CG-CD1 4.08Å; K72-F302 HydrophobicContact CG-CD2 4.24Å; K72-F302 HydrophobicContact CG-CE1 4.45Å; K72-F302 HydrophobicContact CG-CG 3.95Å |
| 73 | W | 91 | Very high | 86.6 | Confident | 165 Ų | 165 | 83.9 Ų | 83.9 | 63% | 0.625 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -73 | -38.4 | -179.6 | -67.1 | 116.9 | 0 | 0 | 0 | 112.6 | A69 F70 L75 L76 | A69-W73 PolarHBondContact O-N 2.73Å; A69-W73 VanDerWaalsContact O-N 3.13Å; F70-W73 PolarHBondContact O-N 2.84Å; W73-L75 PolarHBondContact O-N 2.92Å; W73-L76 WeakPolarHBondContact O-CB 3.5Å; W73-L76 PolarHBondContact O-N 2.79Å |
| 74 | F | 92.1 | Very high | 88.3 | Confident | 108 Ų | 108 | 83.6 Ų | 83.6 | 47% | 0.474 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -60.4 | -45.6 | 177.3 | -179 | -101.3 | 0 | 0 | 0 | 111.9 | F70 L76 L77 | F70-F74 HydrophobicContact CE1-CB 4.43Å; F70-F74 HydrophobicContact CZ-CD2 4.38Å; F70-F74 WeakPolarHBondContact O-CB 3.39Å; F70-F74 PolarHBondContact O-N 2.83Å; F74-L76 PolarHBondContact O-N 2.78Å; F74-L77 HydrophobicContact CD2-CD1 4.09Å; F74-L77 HydrophobicContact CE2-CD1 4.48Å; F74-L77 VanDerWaalsContact O-CB 3.26Å; F74-L77 WeakPolarHBondContact O-CB 3.34Å; F74-L77 WeakPolarHBondContact O-CG 3.42Å; F74-L77 PolarHBondContact O-N 3.03Å; F74-L77 VanDerWaalsContact O-N 3.12Å |
| 75 | L | 92.3 | Very high | 89.8 | Confident | 53 Ų | 53 | 80.3 Ų | 80.3 | 28% | 0.277 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.5 | -21 | 179.1 | -72.9 | 172 | 0 | 0 | 0 | 113.3 | L71 W73 L77 I78 P79 F302 | L71-L75 VanDerWaalsContact O-CB 3.31Å; L71-L75 WeakPolarHBondContact O-CB 3.37Å; L71-L75 VanDerWaalsContact O-CG 3.29Å; L71-L75 WeakPolarHBondContact O-CG 3.31Å; L71-L75 PolarHBondContact O-N 2.63Å; W73-L75 PolarHBondContact O-N 2.92Å; L75-L77 PolarHBondContact O-N 2.98Å; L75-I78 HydrophobicContact CD2-CD1 4.12Å; L75-I78 PolarHBondContact O-N 3.5Å; L75-P79 VanDerWaalsContact O-CD 3.23Å; L75-P79 WeakPolarHBondContact O-CD 3.3Å; L75-F302 HydrophobicContact CD1-CE2 3.82Å; L75-F302 HydrophobicContact CD1-CZ 3.94Å |
| 76 | L | 93.3 | Very high | 91.1 | Very high | 59 Ų | 59 | 73.2 Ų | 73.2 | 31% | 0.309 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -73.9 | -15.8 | 174.9 | -163.3 | 126.6 | 0 | 0 | 0 | 112.6 | K72 W73 F74 I78 P79 A80 W298 | K72-L76 PolarHBondContact O-N 3.09Å; W73-L76 WeakPolarHBondContact O-CB 3.5Å; W73-L76 PolarHBondContact O-N 2.79Å; F74-L76 PolarHBondContact O-N 2.78Å; L76-I78 PolarHBondContact O-N 3.37Å; L76-P79 VanDerWaalsContact O-CD 3.3Å; L76-P79 WeakPolarHBondContact O-CD 3.37Å; L76-P79 WeakPolarHBondContact O-CG 3.42Å; L76-A80 WeakPolarHBondContact O-CB 3.31Å; L76-A80 PolarHBondContact O-N 3.24Å; L76-W298 HydrophobicContact CD1-CD2 3.95Å; L76-W298 HydrophobicContact CD1-CE3 4.21Å; L76-W298 HydrophobicContact CD1-CH2 3.75Å; L76-W298 HydrophobicContact CD1-CZ2 3.44Å; L76-W298 VanDerWaalsContact CD1-CZ2 3.44Å; L76-W298 HydrophobicContact CD1-CZ3 4.13Å |
| 77 | L | 95.1 | Very high | 92.2 | Very high | 107 Ų | 107 | 71.4 Ų | 71.4 | 56% | 0.56 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.2 | -30.8 | 173.6 | -63.4 | 175.8 | 0 | 0 | 0 | 112.3 | F74 L75 A80 A81 | F74-L77 HydrophobicContact CD2-CD1 4.09Å; F74-L77 HydrophobicContact CE2-CD1 4.48Å; F74-L77 VanDerWaalsContact O-CB 3.26Å; F74-L77 WeakPolarHBondContact O-CB 3.34Å; F74-L77 WeakPolarHBondContact O-CG 3.42Å; F74-L77 PolarHBondContact O-N 3.03Å; F74-L77 VanDerWaalsContact O-N 3.12Å; L75-L77 PolarHBondContact O-N 2.98Å; L77-A80 PolarHBondContact O-N 2.83Å; L77-A81 WeakPolarHBondContact O-CB 3.47Å; L77-A81 PolarHBondContact O-N 3.36Å |
| 78 | I | 94.8 | Very high | 93 | Very high | 80 Ų | 80 | 72 Ų | 72 | 41% | 0.41 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.3 | -55.9 | -179 | -56.8 | 173.1 | 0 | 0 | 0 | 111.7 | L75 L76 A80 A81 T82 T294 | L75-I78 HydrophobicContact CD2-CD1 4.12Å; L75-I78 PolarHBondContact O-N 3.5Å; L76-I78 PolarHBondContact O-N 3.37Å; I78-A80 VanDerWaalsContact C-N 3.29Å; I78-A80 PolarHBondContact O-N 2.88Å; I78-A81 PolarHBondContact O-N 2.86Å; I78-T82 WeakPolarHBondContact O-CG2 2.96Å; I78-T82 PolarHBondContact O-N 2.95Å; I78-T82 PolarHBondContact O-OG1 3.47Å; I78-T294 HydrophobicContact CG2-CG2 3.81Å |
| 79 | P | 95.9 | Very high | 93.8 | Very high | 10 Ų | 10 | 68.2 Ų | 68.2 | 7% | 0.065 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.4 | -36.2 | 175.5 | 22.1 | -31.4 | 0 | 0 | 0 | 112.1 | L75 L76 T82 F83 S295 | L75-P79 VanDerWaalsContact O-CD 3.23Å; L75-P79 WeakPolarHBondContact O-CD 3.3Å; L76-P79 VanDerWaalsContact O-CD 3.3Å; L76-P79 WeakPolarHBondContact O-CD 3.37Å; L76-P79 WeakPolarHBondContact O-CG 3.42Å; P79-T82 WeakPolarHBondContact CA-OG1 3.45Å; P79-T82 PolarHBondContact O-N 2.9Å; P79-T82 PolarHBondContact O-OG1 3.49Å; P79-T82 VanDerWaalsContact O-OG1 3.08Å; P79-F83 VanDerWaalsContact O-CB 3.25Å; P79-F83 WeakPolarHBondContact O-CB 3.47Å; P79-F83 PolarHBondContact O-N 3.18Å; P79-S295 WeakPolarHBondContact CB-OG 3.33Å |
| 80 | A | 96.4 | Very high | 94.3 | Very high | 55 Ų | 55 | 68.1 Ų | 68.1 | 46% | 0.455 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L76 L77 I78 G84 | L76-A80 WeakPolarHBondContact O-CB 3.31Å; L76-A80 PolarHBondContact O-N 3.24Å; L77-A80 PolarHBondContact O-N 2.83Å; I78-A80 VanDerWaalsContact C-N 3.29Å; I78-A80 PolarHBondContact O-N 2.88Å; A80-G84 PolarHBondContact O-N 3.41Å |
| 81 | A | 96.6 | Very high | 94.5 | Very high | 57 Ų | 57 | 68.2 Ų | 68.2 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -66.1 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L77 I78 F83 G84 L85 | L77-A81 WeakPolarHBondContact O-CB 3.47Å; L77-A81 PolarHBondContact O-N 3.36Å; I78-A81 PolarHBondContact O-N 2.86Å; A81-F83 PolarHBondContact O-N 3.44Å; A81-G84 PolarHBondContact O-N 3.16Å; A81-L85 WeakPolarHBondContact O-CG 3.09Å; A81-L85 PolarHBondContact O-N 3.23Å |
| 82 | T | 97.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 69.8 Ų | 69.8 | 7% | 0.067 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.5 | -35.7 | 179 | 53.2 | 0 | 0 | 0 | 0 | 112.3 | I78 P79 L85 G86 W287 L290 C291 | I78-T82 WeakPolarHBondContact O-CG2 2.96Å; I78-T82 PolarHBondContact O-N 2.95Å; I78-T82 PolarHBondContact O-OG1 3.47Å; P79-T82 WeakPolarHBondContact CA-OG1 3.45Å; P79-T82 PolarHBondContact O-N 2.9Å; P79-T82 PolarHBondContact O-OG1 3.49Å; P79-T82 VanDerWaalsContact O-OG1 3.08Å; T82-L85 PolarHBondContact O-N 3.37Å; T82-G86 PolarHBondContact O-N 3.16Å; T82-W287 HydrophobicContact CG2-CE3 3.94Å; T82-W287 HydrophobicContact CG2-CZ3 4.12Å; T82-L290 HydrophobicContact CG2-CB 4.14Å; T82-C291 VanDerWaalsContact OG1-CA 3.26Å; T82-C291 WeakPolarHBondContact OG1-CA 3.25Å; T82-C291 WeakPolarHBondContact OG1-CB 3.36Å |
| 83 | F | 97.3 | Very high | 94.9 | Very high | 111 Ų | 111 | 70.5 Ų | 70.5 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 169.8 | -175.4 | -96.9 | 0 | 0 | 0 | 112.4 | P79 A81 G86 T87 Y288 | P79-F83 VanDerWaalsContact O-CB 3.25Å; P79-F83 WeakPolarHBondContact O-CB 3.47Å; P79-F83 PolarHBondContact O-N 3.18Å; A81-F83 PolarHBondContact O-N 3.44Å; F83-G86 PolarHBondContact O-N 2.94Å; F83-T87 WeakPolarHBondContact O-CB 3.38Å; F83-T87 PolarHBondContact O-N 3Å; F83-T87 PolarHBondContact O-OG1 3.35Å; F83-Y288 HydrophobicContact CD2-CD1 4.23Å; F83-Y288 AromaticContact CD2-CE1 3.79Å; F83-Y288 HydrophobicContact CD2-CE1 3.79Å; F83-Y288 AromaticContact CE2-CE1 3.94Å; F83-Y288 HydrophobicContact CE2-CE1 3.94Å |
| 84 | G | 97.2 | Very high | 95 | Very high | 37 Ų | 37 | 68.6 Ų | 68.6 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.9 | -45 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A80 A81 T87 W88 | A80-G84 PolarHBondContact O-N 3.41Å; A81-G84 PolarHBondContact O-N 3.16Å; G84-T87 PolarHBondContact O-N 3.3Å; G84-W88 WeakPolarHBondContact O-CB 3.4Å; G84-W88 PolarHBondContact O-N 3.27Å |
| 85 | L | 96.6 | Very high | 95 | Very high | 68 Ų | 68 | 70.4 Ų | 70.4 | 36% | 0.356 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 175.1 | -70.7 | 172 | 0 | 0 | 0 | 112 | A81 T82 T87 W88 Q89 W287 | A81-L85 WeakPolarHBondContact O-CG 3.09Å; A81-L85 PolarHBondContact O-N 3.23Å; T82-L85 PolarHBondContact O-N 3.37Å; L85-T87 PolarHBondContact O-N 3.11Å; L85-W88 PolarHBondContact O-N 2.84Å; L85-Q89 VanDerWaalsContact O-CG 3.27Å; L85-Q89 WeakPolarHBondContact O-CG 3.47Å; L85-Q89 PolarHBondContact O-N 2.72Å; L85-W287 HydrophobicContact CB-CD2 3.83Å; L85-W287 HydrophobicContact CB-CE3 4.1Å; L85-W287 HydrophobicContact CB-CG 4.04Å; L85-W287 HydrophobicContact CD1-CD2 4.13Å; L85-W287 HydrophobicContact CD1-CE3 3.77Å; L85-W287 HydrophobicContact CD1-CH2 3.61Å; L85-W287 HydrophobicContact CD1-CZ2 3.97Å; L85-W287 HydrophobicContact CD1-CZ3 3.5Å |
| 86 | G | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | T82 F83 W88 Q89 V90 | T82-G86 PolarHBondContact O-N 3.16Å; F83-G86 PolarHBondContact O-N 2.94Å; G86-W88 VanDerWaalsContact C-N 3.35Å; G86-W88 PolarHBondContact O-N 2.91Å; G86-Q89 PolarHBondContact O-N 3.17Å; G86-V90 WeakPolarHBondContact O-CG2 3.16Å; G86-V90 PolarHBondContact O-N 2.88Å |
| 87 | T | 96.4 | Very high | 94.7 | Very high | 40 Ų | 40 | 69 Ų | 69 | 25% | 0.245 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.3 | -42 | 177.2 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | F83 G84 L85 V90 K91 Y288 | F83-T87 WeakPolarHBondContact O-CB 3.38Å; F83-T87 PolarHBondContact O-N 3Å; F83-T87 PolarHBondContact O-OG1 3.35Å; G84-T87 PolarHBondContact O-N 3.3Å; L85-T87 PolarHBondContact O-N 3.11Å; T87-V90 PolarHBondContact O-N 3.25Å; T87-K91 PolarHBondContact O-N 2.99Å; T87-K91 VanDerWaalsContact O-N 3.13Å; T87-Y288 WeakPolarHBondContact CA-OH 3.38Å; T87-Y288 PolarHBondContact N-OH 2.97Å; T87-Y288 PolarHBondContact OG1-OH 3.36Å |
| 88 | W | 95.8 | Very high | 94.5 | Very high | 136 Ų | 136 | 65.9 Ų | 65.9 | 52% | 0.515 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 175.5 | 176.2 | 80.1 | 0 | 0 | 0 | 111.8 | G84 L85 G86 V90 K91 R92 | G84-W88 WeakPolarHBondContact O-CB 3.4Å; G84-W88 PolarHBondContact O-N 3.27Å; L85-W88 PolarHBondContact O-N 2.84Å; G86-W88 VanDerWaalsContact C-N 3.35Å; G86-W88 PolarHBondContact O-N 2.91Å; W88-V90 VanDerWaalsContact C-N 3.33Å; W88-V90 PolarHBondContact O-N 2.89Å; W88-K91 PolarHBondContact O-N 3.35Å; W88-R92 HydrophobicContact CZ2-CG 4.41Å; W88-R92 VanDerWaalsContact O-CB 3.28Å; W88-R92 WeakPolarHBondContact O-CB 3.48Å; W88-R92 PolarHBondContact O-N 3.49Å |
| 89 | Q | 95.8 | Very high | 94.2 | Very high | 19 Ų | 19 | 65.5 Ų | 65.5 | 9% | 0.089 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.4 | -37.8 | 177.3 | -68 | -74.4 | 0.3 | 0 | 0 | 112.3 | L85 G86 R92 R93 H280 I284 | L85-Q89 VanDerWaalsContact O-CG 3.27Å; L85-Q89 WeakPolarHBondContact O-CG 3.47Å; L85-Q89 PolarHBondContact O-N 2.72Å; G86-Q89 PolarHBondContact O-N 3.17Å; Q89-R92 PolarHBondContact O-N 2.84Å; Q89-R93 VanDerWaalsContact O-CB 3.31Å; Q89-R93 WeakPolarHBondContact O-CB 3.08Å; Q89-R93 PolarHBondContact O-N 3.47Å; Q89-H280 PolarHBondContact OE1-ND1 3.19Å; Q89-I284 HydrophobicContact CB-CD1 4.47Å; Q89-I284 HydrophobicContact CB-CG1 3.59Å |
| 90 | V | 94.1 | Very high | 93.9 | Very high | 43 Ų | 43 | 66.7 Ų | 66.7 | 26% | 0.261 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.9 | -51.6 | 174 | 174.5 | 0 | 0 | 0 | 0 | 110.9 | G86 T87 W88 R92 R93 Q94 I284 Y288 | G86-V90 WeakPolarHBondContact O-CG2 3.16Å; G86-V90 PolarHBondContact O-N 2.88Å; T87-V90 PolarHBondContact O-N 3.25Å; W88-V90 VanDerWaalsContact C-N 3.33Å; W88-V90 PolarHBondContact O-N 2.89Å; V90-R92 VanDerWaalsContact C-N 3.32Å; V90-R92 PolarHBondContact O-N 2.73Å; V90-R93 WeakPolarHBondContact O-CB 3.48Å; V90-R93 PolarHBondContact O-N 2.87Å; V90-Q94 WeakPolarHBondContact O-CG 3.39Å; V90-Q94 PolarHBondContact O-N 2.69Å; V90-I284 HydrophobicContact CB-CD1 4.44Å; V90-I284 HydrophobicContact CG2-CD1 3.83Å; V90-I284 HydrophobicContact CG2-CG1 3.92Å; V90-I284 HydrophobicContact CG2-CG2 4.09Å; V90-Y288 HydrophobicContact CG2-CE2 4.08Å |
| 91 | K | 93.9 | Very high | 93.6 | Very high | 139 Ų | 139 | 68.4 Ų | 68.4 | 60% | 0.604 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.6 | -43.1 | 178.4 | -70 | -178.4 | 179.1 | -179.5 | 0 | 111.3 | T87 W88 R93 Q94 W95 | T87-K91 PolarHBondContact O-N 2.99Å; T87-K91 VanDerWaalsContact O-N 3.13Å; W88-K91 PolarHBondContact O-N 3.35Å; K91-R93 VanDerWaalsContact C-N 3.34Å; K91-R93 PolarHBondContact O-N 3.37Å; K91-Q94 PolarHBondContact O-N 3.33Å; K91-W95 PolarHBondContact O-N 2.85Å |
| 92 | R | 92.8 | Very high | 93.3 | Very high | 105 Ų | 105 | 69.1 Ų | 69.1 | 40% | 0.396 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.3 | -41.8 | 177.7 | -172.4 | 64.5 | 173.5 | -179.2 | -1.5 | 111.6 | W88 Q89 V90 W95 K96 H280 | W88-R92 HydrophobicContact CZ2-CG 4.41Å; W88-R92 VanDerWaalsContact O-CB 3.28Å; W88-R92 WeakPolarHBondContact O-CB 3.48Å; W88-R92 PolarHBondContact O-N 3.49Å; Q89-R92 PolarHBondContact O-N 2.84Å; V90-R92 VanDerWaalsContact C-N 3.32Å; V90-R92 PolarHBondContact O-N 2.73Å; R92-W95 VanDerWaalsContact NH1-CZ3 3.35Å; R92-K96 WeakPolarHBondContact O-CB 3.11Å; R92-K96 PolarHBondContact O-N 2.85Å; R92-H280 VanDerWaalsContact CG-CE1 3.44Å; R92-H280 WeakPolarHBondContact CG-CE1 3.37Å |
| 93 | R | 92.2 | Very high | 93 | Very high | 78 Ų | 78 | 69.6 Ų | 69.6 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.1 | -49.7 | 174.4 | -173.2 | 177.5 | 177.1 | -84.6 | -1.1 | 111.1 | Q89 V90 K91 W95 K96 M97 H280 I284 | Q89-R93 VanDerWaalsContact O-CB 3.31Å; Q89-R93 WeakPolarHBondContact O-CB 3.08Å; Q89-R93 PolarHBondContact O-N 3.47Å; V90-R93 WeakPolarHBondContact O-CB 3.48Å; V90-R93 PolarHBondContact O-N 2.87Å; K91-R93 VanDerWaalsContact C-N 3.34Å; K91-R93 PolarHBondContact O-N 3.37Å; R93-W95 PolarHBondContact O-N 3.07Å; R93-K96 PolarHBondContact O-N 3.09Å; R93-M97 HydrophobicContact CG-CG 4.34Å; R93-M97 VanDerWaalsContact O-CG 3.32Å; R93-M97 WeakPolarHBondContact O-CG 3.4Å; R93-M97 PolarHBondContact O-N 3.2Å; R93-H280 HydrophobicContact CB-CB 3.69Å; R93-H280 HydrophobicContact CG-CB 3.94Å; R93-I284 HydrophobicContact CB-CD1 4.33Å |
| 94 | Q | 92.6 | Very high | 92.6 | Very high | 125 Ų | 125 | 71.4 Ų | 71.4 | 58% | 0.584 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58 | -48.2 | 179.9 | -73.5 | 175.8 | -11.4 | 0 | 0 | 111.9 | V90 K91 K96 M97 G98 | V90-Q94 WeakPolarHBondContact O-CG 3.39Å; V90-Q94 PolarHBondContact O-N 2.69Å; K91-Q94 PolarHBondContact O-N 3.33Å; Q94-K96 VanDerWaalsContact C-N 3.32Å; Q94-K96 PolarHBondContact O-N 3.15Å; Q94-M97 PolarHBondContact O-N 3.48Å; Q94-G98 PolarHBondContact O-N 3.23Å |
| 95 | W | 91.8 | Very high | 92.3 | Very high | 146 Ų | 146 | 77 Ų | 77 | 55% | 0.553 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -55.9 | -47 | 174.6 | 168.9 | 74.7 | 0 | 0 | 0 | 112 | K91 R92 R93 M97 G98 L99 | K91-W95 PolarHBondContact O-N 2.85Å; R92-W95 VanDerWaalsContact NH1-CZ3 3.35Å; R93-W95 PolarHBondContact O-N 3.07Å; W95-M97 VanDerWaalsContact C-N 3.34Å; W95-M97 PolarHBondContact O-N 3.03Å; W95-G98 PolarHBondContact O-N 3.42Å; W95-L99 PolarHBondContact O-N 2.95Å; W95-L99 VanDerWaalsContact O-N 3.17Å |
| 96 | K | 89.4 | Confident | 92 | Very high | 39 Ų | 39 | 75.9 Ų | 75.9 | 17% | 0.17 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 179.2 | -170.6 | 171.9 | -171.6 | 154.7 | 0 | 112.7 | R92 R93 Q94 G98 L99 I100 R277 | R92-K96 WeakPolarHBondContact O-CB 3.11Å; R92-K96 PolarHBondContact O-N 2.85Å; R93-K96 PolarHBondContact O-N 3.09Å; Q94-K96 VanDerWaalsContact C-N 3.32Å; Q94-K96 PolarHBondContact O-N 3.15Å; K96-G98 VanDerWaalsContact C-N 3.32Å; K96-L99 PolarHBondContact O-N 3.23Å; K96-I100 HydrophobicContact CG-CD1 4.5Å; K96-I100 WeakPolarHBondContact O-CG1 3.47Å; K96-I100 PolarHBondContact O-N 2.94Å; K96-R277 WeakPolarHBondContact CE-O 3.49Å; K96-R277 PolarHBondContact NZ-O 2.61Å |
| 97 | M | 90.2 | Very high | 91.6 | Very high | 42 Ų | 42 | 77.6 Ų | 77.6 | 21% | 0.207 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 175.3 | -67.3 | -52.8 | 87.9 | 0 | 0 | 111.4 | R93 Q94 W95 L99 I100 N101 N278 | R93-M97 HydrophobicContact CG-CG 4.34Å; R93-M97 VanDerWaalsContact O-CG 3.32Å; R93-M97 WeakPolarHBondContact O-CG 3.4Å; R93-M97 PolarHBondContact O-N 3.2Å; Q94-M97 PolarHBondContact O-N 3.48Å; W95-M97 VanDerWaalsContact C-N 3.34Å; W95-M97 PolarHBondContact O-N 3.03Å; M97-L99 VanDerWaalsContact C-N 3.33Å; M97-L99 PolarHBondContact O-N 3.4Å; M97-I100 HydrophobicContact CE-CD1 3.43Å; M97-I100 VanDerWaalsContact CE-CD1 3.43Å; M97-I100 HydrophobicContact CE-CG1 4.41Å; M97-I100 PolarHBondContact O-N 3.47Å; M97-I100 HydrophobicContact SD-CD1 4.46Å; M97-N101 WeakPolarHBondContact O-CB 3.22Å; M97-N101 PolarHBondContact O-N 3.07Å; M97-N101 PolarHBondContact O-ND2 2.91Å; M97-N278 HydrophobicContact CE-CB 4.22Å; M97-N278 WeakPolarHBondContact CE-ND2 3.37Å |
| 98 | G | 91.4 | Very high | 91.2 | Very high | 42 Ų | 42 | 80.2 Ų | 80.2 | 43% | 0.433 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -56.6 | -46.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q94 W95 K96 N101 E102 | Q94-G98 PolarHBondContact O-N 3.23Å; W95-G98 PolarHBondContact O-N 3.42Å; K96-G98 VanDerWaalsContact C-N 3.32Å; G98-N101 PolarHBondContact O-N 2.88Å; G98-E102 PolarHBondContact O-N 3.35Å |
| 99 | L | 89.4 | Confident | 91 | Very high | 73 Ų | 73 | 75 Ų | 75 | 38% | 0.382 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 177.2 | -178.2 | 62 | 0 | 0 | 0 | 112.7 | W95 K96 M97 N101 E102 L103 L276 | W95-L99 PolarHBondContact O-N 2.95Å; W95-L99 VanDerWaalsContact O-N 3.17Å; K96-L99 PolarHBondContact O-N 3.23Å; M97-L99 VanDerWaalsContact C-N 3.33Å; M97-L99 PolarHBondContact O-N 3.4Å; L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 3.48Å; L99-E102 PolarHBondContact O-N 2.88Å; L99-L103 HydrophobicContact CG-CD1 4.34Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 3.19Å; L99-L276 HydrophobicContact CD2-CD1 3.75Å; L99-L276 HydrophobicContact CG-CD1 3.96Å |
| 100 | I | 88.8 | Confident | 90.9 | Very high | 34 Ų | 34 | 82 Ų | 82 | 17% | 0.174 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 177 | -69.4 | 177.4 | 0 | 0 | 0 | 110.9 | K96 M97 E102 L103 R104 L276 | K96-I100 HydrophobicContact CG-CD1 4.5Å; K96-I100 WeakPolarHBondContact O-CG1 3.47Å; K96-I100 PolarHBondContact O-N 2.94Å; M97-I100 HydrophobicContact CE-CD1 3.43Å; M97-I100 VanDerWaalsContact CE-CD1 3.43Å; M97-I100 HydrophobicContact CE-CG1 4.41Å; M97-I100 PolarHBondContact O-N 3.47Å; M97-I100 HydrophobicContact SD-CD1 4.46Å; I100-E102 VanDerWaalsContact C-N 3.34Å; I100-L103 PolarHBondContact O-N 3.33Å; I100-R104 VanDerWaalsContact O-CB 3.29Å; I100-R104 WeakPolarHBondContact O-CB 3.43Å; I100-R104 PolarHBondContact O-N 2.84Å; I100-L276 HydrophobicContact CD1-CB 3.98Å; I100-L276 HydrophobicContact CG1-CB 3.95Å; I100-L276 HydrophobicContact CG1-CD1 3.77Å; I100-L276 HydrophobicContact CG1-CG 4.36Å |
| 101 | N | 89.8 | Confident | 91 | Very high | 92 Ų | 92 | 82 Ų | 82 | 49% | 0.492 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 179.2 | -72 | -14.4 | 0 | 0 | 0 | 111.5 | M97 G98 L99 R104 R105 | M97-N101 WeakPolarHBondContact O-CB 3.22Å; M97-N101 PolarHBondContact O-N 3.07Å; M97-N101 PolarHBondContact O-ND2 2.91Å; G98-N101 PolarHBondContact O-N 2.88Å; L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 3.48Å; N101-R104 PolarHBondContact O-N 3.29Å; N101-R105 WeakPolarHBondContact O-CB 3.18Å; N101-R105 PolarHBondContact O-N 3.35Å |
| 102 | E | 90.9 | Very high | 91.1 | Very high | 71 Ų | 71 | 78 Ų | 78 | 33% | 0.332 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.9 | -49.5 | 175.8 | -177.4 | 55.9 | -154 | 0 | 0 | 111.7 | G98 L99 I100 R104 R105 L106 | G98-E102 PolarHBondContact O-N 3.35Å; L99-E102 PolarHBondContact O-N 2.88Å; I100-E102 VanDerWaalsContact C-N 3.34Å; E102-R104 VanDerWaalsContact C-N 3.32Å; E102-R104 PolarHBondContact O-N 2.84Å; E102-R105 WeakPolarHBondContact O-CB 3.47Å; E102-R105 PolarHBondContact O-N 2.84Å; E102-R105 VanDerWaalsContact O-N 3.14Å; E102-R105 IonicContact OE1-CZ 3.09Å; E102-R105 IonicContact OE1-NE 3.15Å; E102-R105 IonicContact OE1-NH2 2.87Å; E102-R105 PolarHBondContact OE1-NH2 3.27Å; E102-R105 IonicContact OE2-CZ 3.91Å; E102-R105 IonicContact OE2-NE 2.69Å; E102-R105 PolarHBondContact OE2-NE 3.34Å; E102-R105 VanDerWaalsContact OE2-NE 3.15Å; E102-R105 IonicContact OE2-NH1 3.46Å; E102-R105 IonicContact OE2-NH2 3.97Å; E102-R105 PolarHBondContact OE2-NH2 3.19Å; E102-L106 HydrophobicContact CG-CD1 4.44Å; E102-L106 WeakPolarHBondContact O-CG 3.39Å; E102-L106 PolarHBondContact O-N 2.86Å |
| 103 | L | 89.8 | Confident | 91.2 | Very high | 21 Ų | 21 | 77.5 Ų | 77.5 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.7 | -47.3 | 175.7 | -73.5 | 172.9 | 0 | 0 | 0 | 111 | L99 I100 R105 L106 T107 Y126 V274 L276 | L99-L103 HydrophobicContact CG-CD1 4.34Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 3.19Å; I100-L103 PolarHBondContact O-N 3.33Å; L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.37Å; L103-L106 PolarHBondContact O-N 2.83Å; L103-T107 VanDerWaalsContact O-CG2 3.31Å; L103-T107 WeakPolarHBondContact O-CG2 3.33Å; L103-T107 PolarHBondContact O-N 3.42Å; L103-T107 PolarHBondContact O-OG1 3.08Å; L103-T107 VanDerWaalsContact O-OG1 3.07Å; L103-Y126 HydrophobicContact CD2-CD1 4.19Å; L103-Y126 HydrophobicContact CD2-CD2 3.41Å; L103-Y126 VanDerWaalsContact CD2-CD2 3.41Å; L103-Y126 HydrophobicContact CD2-CE1 4.41Å; L103-Y126 HydrophobicContact CD2-CE2 3.68Å; L103-Y126 HydrophobicContact CD2-CG 3.69Å; L103-V274 HydrophobicContact CB-CG1 3.92Å; L103-V274 HydrophobicContact CD1-CG1 4.11Å; L103-V274 HydrophobicContact CG-CG1 4.42Å; L103-L276 HydrophobicContact CD1-CD1 3.98Å |
| 104 | R | 88.9 | Confident | 91.3 | Very high | 150 Ų | 150 | 74.1 Ų | 74.1 | 57% | 0.566 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57 | -44.1 | 176.6 | -178.1 | 179.4 | -65.5 | 175 | -1.9 | 111.4 | I100 N101 E102 T107 T108 | I100-R104 VanDerWaalsContact O-CB 3.29Å; I100-R104 WeakPolarHBondContact O-CB 3.43Å; I100-R104 PolarHBondContact O-N 2.84Å; N101-R104 PolarHBondContact O-N 3.29Å; E102-R104 VanDerWaalsContact C-N 3.32Å; E102-R104 PolarHBondContact O-N 2.84Å; R104-T107 PolarHBondContact O-N 3.16Å; R104-T107 PolarHBondContact O-OG1 3.47Å; R104-T108 HydrophobicContact CG-CG2 4.18Å; R104-T108 WeakPolarHBondContact O-CB 3.25Å; R104-T108 WeakPolarHBondContact O-CG2 3.28Å; R104-T108 PolarHBondContact O-N 2.8Å; R104-T108 PolarHBondContact O-OG1 2.98Å |
| 105 | R | 90.5 | Very high | 91.3 | Very high | 155 Ų | 155 | 69.1 Ų | 69.1 | 59% | 0.585 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.9 | -47.6 | 178.1 | -176.5 | 179.7 | 71.6 | 160.3 | 6.2 | 111 | N101 E102 L103 T108 A109 | N101-R105 WeakPolarHBondContact O-CB 3.18Å; N101-R105 PolarHBondContact O-N 3.35Å; E102-R105 WeakPolarHBondContact O-CB 3.47Å; E102-R105 PolarHBondContact O-N 2.84Å; E102-R105 VanDerWaalsContact O-N 3.14Å; E102-R105 IonicContact OE1-CZ 3.09Å; E102-R105 IonicContact OE1-NE 3.15Å; E102-R105 IonicContact OE1-NH2 2.87Å; E102-R105 PolarHBondContact OE1-NH2 3.27Å; E102-R105 IonicContact OE2-CZ 3.91Å; E102-R105 IonicContact OE2-NE 2.69Å; E102-R105 PolarHBondContact OE2-NE 3.34Å; E102-R105 VanDerWaalsContact OE2-NE 3.15Å; E102-R105 IonicContact OE2-NH1 3.46Å; E102-R105 IonicContact OE2-NH2 3.97Å; E102-R105 PolarHBondContact OE2-NH2 3.19Å; L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.37Å; R105-T108 PolarHBondContact O-N 2.64Å; R105-A109 WeakPolarHBondContact O-CB 3.33Å; R105-A109 PolarHBondContact O-N 2.74Å |
| 106 | L | 90.7 | Very high | 90.8 | Very high | 44 Ų | 44 | 66.4 Ų | 66.4 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65.1 | -42.2 | 179.2 | -65.8 | 171.9 | 0 | 0 | 0 | 112.5 | E102 L103 T108 Y126 | E102-L106 HydrophobicContact CG-CD1 4.44Å; E102-L106 WeakPolarHBondContact O-CG 3.39Å; E102-L106 PolarHBondContact O-N 2.86Å; L103-L106 PolarHBondContact O-N 2.83Å; L106-T108 VanDerWaalsContact C-N 3.34Å; L106-T108 PolarHBondContact O-N 2.87Å; L106-Y126 CarbonylContact C-O 3.54Å; L106-Y126 VanDerWaalsContact C-O 3.26Å |
| 107 | T | 88.1 | Confident | 90.7 | Very high | 36 Ų | 36 | 67.6 Ų | 67.6 | 22% | 0.221 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -80.7 | -10.1 | -177.6 | 62.9 | 0 | 0 | 0 | 0 | 113.9 | L103 R104 Y126 R128 V215 V274 | L103-T107 VanDerWaalsContact O-CG2 3.31Å; L103-T107 WeakPolarHBondContact O-CG2 3.33Å; L103-T107 PolarHBondContact O-N 3.42Å; L103-T107 PolarHBondContact O-OG1 3.08Å; L103-T107 VanDerWaalsContact O-OG1 3.07Å; R104-T107 PolarHBondContact O-N 3.16Å; R104-T107 PolarHBondContact O-OG1 3.47Å; T107-Y126 HydrophobicContact CG2-CD1 4.46Å; T107-Y126 PolarHBondContact N-O 3.41Å; T107-R128 WeakPolarHBondContact O-CD 3.09Å; T107-V215 HydrophobicContact CG2-CG1 4.26Å; T107-V274 HydrophobicContact CG2-CG1 4.3Å; T107-V274 HydrophobicContact CG2-CG2 4.28Å |
| 108 | T | 88.5 | Confident | 90.4 | Very high | 94 Ų | 94 | 67.8 Ų | 67.8 | 58% | 0.577 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -111.3 | -12.4 | 177.2 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | R104 R105 L106 | R104-T108 HydrophobicContact CG-CG2 4.18Å; R104-T108 WeakPolarHBondContact O-CB 3.25Å; R104-T108 WeakPolarHBondContact O-CG2 3.28Å; R104-T108 PolarHBondContact O-N 2.8Å; R104-T108 PolarHBondContact O-OG1 2.98Å; R105-T108 PolarHBondContact O-N 2.64Å; L106-T108 VanDerWaalsContact C-N 3.34Å; L106-T108 PolarHBondContact O-N 2.87Å |
| 109 | A | 91.8 | Very high | 90.2 | Very high | 28 Ų | 28 | 71.3 Ų | 71.3 | 23% | 0.231 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -57.3 | 154.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R105 R128 | R105-A109 WeakPolarHBondContact O-CB 3.33Å; R105-A109 PolarHBondContact O-N 2.74Å; A109-R128 WeakPolarHBondContact O-CD 3.48Å; A109-R128 PolarHBondContact O-NH1 2.93Å |
| 110 | E | 94.3 | Very high | 90.2 | Very high | 165 Ų | 165 | 72.7 Ų | 72.7 | 77% | 0.771 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 137 | 177.2 | -67.9 | -172.6 | 167.7 | 0 | 0 | 111 | I112 R127 | E110-I112 PolarHBondContact O-N 2.94Å; E110-R127 PolarHBondContact O-NH1 3.36Å; E110-R127 PolarHBondContact O-NH2 3.36Å |
| 111 | P | 95.6 | Very high | 90.4 | Very high | 42 Ų | 42 | 71.2 Ų | 71.2 | 27% | 0.273 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 131.1 | -179.2 | -21.7 | 33.1 | 0 | 0 | 0 | 112.3 | R128 K130 V213 | P111-R128 HydrophobicContact CB-CB 4.4Å; P111-R128 HydrophobicContact CG-CB 4.37Å; P111-K130 HydrophobicContact CB-CB 4.13Å; P111-K130 HydrophobicContact CB-CG 4.45Å; P111-V213 HydrophobicContact CB-CG1 4Å; P111-V213 HydrophobicContact CG-CG1 3.54Å; P111-V213 HydrophobicContact CG-CG2 4.41Å |
| 112 | I | 95.2 | Very high | 90.4 | Very high | 57 Ų | 57 | 70.7 Ų | 70.7 | 29% | 0.292 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 155.1 | 171.1 | 59.3 | 172.4 | 0 | 0 | 0 | 110 | E110 L124 R127 R128 V129 K130 | E110-I112 PolarHBondContact O-N 2.94Å; I112-L124 HydrophobicContact CD1-CD1 4.16Å; I112-L124 HydrophobicContact CD1-CD2 4.47Å; I112-R127 HydrophobicContact CD1-CG 4.13Å; I112-R127 HydrophobicContact CG1-CG 4.4Å; I112-R128 PolarHBondContact N-O 3.42Å; I112-V129 HydrophobicContact CG1-CG1 4.04Å; I112-V129 CarbonylContact O-C 3.43Å; I112-V129 WeakPolarHBondContact O-CA 3.45Å; I112-K130 PolarHBondContact O-N 3.3Å |
| 113 | P | 95.5 | Very high | 90.5 | Very high | 94 Ų | 94 | 75.7 Ų | 75.7 | 61% | 0.61 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 142.9 | 168.4 | 26.3 | -34.5 | 0 | 0 | 0 | 110.3 | ||
| 114 | L | 93.8 | Very high | 90.7 | Very high | 7 Ų | 7 | 76.6 Ų | 76.6 | 4% | 0.037 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 125.6 | 174.5 | -177.8 | 74.2 | 0 | 0 | 0 | 109.3 | V121 V129 K130 V131 L180 I184 V216 I253 | L114-V121 HydrophobicContact CD1-CG1 4.38Å; L114-V121 HydrophobicContact CD1-CG2 3.91Å; L114-V129 HydrophobicContact CB-CB 4.46Å; L114-V129 HydrophobicContact CD1-CB 4.35Å; L114-V129 HydrophobicContact CD1-CG1 4.32Å; L114-V129 HydrophobicContact CD1-CG2 4.08Å; L114-K130 PolarHBondContact N-O 2.98Å; L114-V131 HydrophobicContact CB-CG1 3.53Å; L114-V131 HydrophobicContact CD2-CG1 3.7Å; L114-V131 HydrophobicContact CG-CG1 4.23Å; L114-L180 HydrophobicContact CB-CD1 4.15Å; L114-L180 HydrophobicContact CD2-CD1 3.91Å; L114-L180 HydrophobicContact CG-CD1 4.21Å; L114-I184 HydrophobicContact CD2-CD1 3.84Å; L114-I184 HydrophobicContact CD2-CG2 4.29Å; L114-V216 HydrophobicContact CD1-CG2 4.43Å; L114-I253 HydrophobicContact CD1-CG2 4.25Å; L114-I253 HydrophobicContact CD2-CG2 4.15Å |
| 115 | P | 92.3 | Very high | 90.9 | Very high | 19 Ų | 19 | 72.6 Ų | 72.6 | 12% | 0.123 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 149.3 | 175.2 | 27.7 | -32.4 | 0 | 0 | 0 | 111 | D117 E120 V121 L124 | P115-D117 VanDerWaalsContact C-N 3.35Å; P115-D117 PolarHBondContact O-N 3.1Å; P115-E120 HydrophobicContact CB-CB 4.21Å; P115-E120 WeakPolarHBondContact CB-OE2 3.46Å; P115-E120 HydrophobicContact CG-CB 4.09Å; P115-V121 HydrophobicContact CG-CG2 3.8Å; P115-L124 HydrophobicContact CG-CD1 3.71Å |
| 116 | P | 82.5 | Confident | 91 | Very high | 89 Ų | 89 | 67.6 Ų | 67.6 | 58% | 0.578 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -71.2 | -27.4 | -177.5 | 27 | -33.7 | 0 | 0 | 0 | 113.4 | P118 L180 | P116-P118 WeakPolarHBondContact O-CD 3.35Å; P116-L180 HydrophobicContact CB-CD2 4.12Å |
| 117 | D | 86.9 | Confident | 91.3 | Very high | 64 Ų | 64 | 67.4 Ų | 67.4 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | trans | -85.1 | 119.3 | -176.4 | 179 | 12.2 | 0 | 0 | 0 | 111.8 | P115 L119 E120 V121 | P115-D117 VanDerWaalsContact C-N 3.35Å; P115-D117 PolarHBondContact O-N 3.1Å; D117-L119 PolarHBondContact O-N 3.49Å; D117-L119 VanDerWaalsContact O-N 3.17Å; D117-L119 PolarHBondContact OD1-N 3.05Å; D117-E120 HydrophobicContact CB-CB 4.33Å; D117-E120 HydrophobicContact CB-CG 4.05Å; D117-E120 WeakPolarHBondContact O-CB 3.07Å; D117-E120 PolarHBondContact O-N 2.97Å; D117-V121 PolarHBondContact O-N 3.03Å; D117-V121 VanDerWaalsContact O-N 3.13Å | ||
| 118 | P | 83.3 | Confident | 91.6 | Very high | 46 Ų | 46 | 68.1 Ų | 68.1 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55 | -31.3 | 174.3 | -24.3 | 33.2 | 0 | 0 | 0 | 114.2 | P116 E120 V121 N122 I253 | P116-P118 WeakPolarHBondContact O-CD 3.35Å; P118-E120 VanDerWaalsContact C-N 3.32Å; P118-E120 PolarHBondContact O-N 3.45Å; P118-V121 PolarHBondContact O-N 3.18Å; P118-N122 VanDerWaalsContact O-CG 3.3Å; P118-N122 PolarHBondContact O-N 3.4Å; P118-N122 PolarHBondContact O-ND2 2.95Å; P118-I253 HydrophobicContact CB-CD1 4.37Å; P118-I253 HydrophobicContact CB-CG1 4.37Å; P118-I253 HydrophobicContact CG-CD1 4.14Å |
| 119 | L | 87 | Confident | 92 | Very high | 117 Ų | 117 | 63.7 Ų | 63.7 | 61% | 0.613 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -69.6 | -31 | 178.7 | -64 | 177.2 | 0 | 0 | 0 | 112.4 | D117 | D117-L119 PolarHBondContact O-N 3.49Å; D117-L119 VanDerWaalsContact O-N 3.17Å; D117-L119 PolarHBondContact OD1-N 3.05Å |
| 120 | E | 91.1 | Very high | 92.2 | Very high | 102 Ų | 102 | 66.7 Ų | 66.7 | 48% | 0.477 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.2 | -43.2 | 171.1 | -66.7 | -166.9 | 161.8 | 0 | 0 | 110.9 | P115 D117 P118 N122 K123 | P115-E120 HydrophobicContact CB-CB 4.21Å; P115-E120 WeakPolarHBondContact CB-OE2 3.46Å; P115-E120 HydrophobicContact CG-CB 4.09Å; D117-E120 HydrophobicContact CB-CB 4.33Å; D117-E120 HydrophobicContact CB-CG 4.05Å; D117-E120 WeakPolarHBondContact O-CB 3.07Å; D117-E120 PolarHBondContact O-N 2.97Å; P118-E120 VanDerWaalsContact C-N 3.32Å; P118-E120 PolarHBondContact O-N 3.45Å; E120-N122 PolarHBondContact O-N 3.34Å; E120-K123 WeakPolarHBondContact O-CB 3.39Å; E120-K123 PolarHBondContact O-N 2.6Å |
| 121 | V | 91.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 59.1 Ų | 59.1 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.2 | -37.1 | 176.1 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | L114 P115 D117 P118 K123 L124 V216 I253 | L114-V121 HydrophobicContact CD1-CG1 4.38Å; L114-V121 HydrophobicContact CD1-CG2 3.91Å; P115-V121 HydrophobicContact CG-CG2 3.8Å; D117-V121 PolarHBondContact O-N 3.03Å; D117-V121 VanDerWaalsContact O-N 3.13Å; P118-V121 PolarHBondContact O-N 3.18Å; V121-K123 PolarHBondContact O-N 2.91Å; V121-K123 VanDerWaalsContact O-N 3.11Å; V121-L124 WeakPolarHBondContact O-CB 3.44Å; V121-L124 PolarHBondContact O-N 3.45Å; V121-V216 HydrophobicContact CG1-CG1 3.61Å; V121-V216 HydrophobicContact CG1-CG2 4.29Å; V121-I253 HydrophobicContact CB-CG1 4.45Å; V121-I253 HydrophobicContact CG1-CG1 4.29Å; V121-I253 HydrophobicContact CG1-CG2 3.99Å; V121-I253 HydrophobicContact CG2-CD1 4.1Å; V121-I253 HydrophobicContact CG2-CG1 4.34Å |
| 122 | N | 90.3 | Very high | 92.4 | Very high | 80 Ų | 80 | 61.9 Ų | 61.9 | 43% | 0.428 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.3 | 177.2 | -76.1 | -27.5 | 0 | 0 | 0 | 114 | P118 E120 L124 | P118-N122 VanDerWaalsContact O-CG 3.3Å; P118-N122 PolarHBondContact O-N 3.4Å; P118-N122 PolarHBondContact O-ND2 2.95Å; E120-N122 PolarHBondContact O-N 3.34Å; N122-L124 VanDerWaalsContact C-N 3.32Å |
| 123 | K | 92.6 | Very high | 92.5 | Very high | 177 Ų | 177 | 59.2 Ų | 59.2 | 77% | 0.77 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -4.7 | 176.7 | -60.7 | 172.4 | -172.5 | 165 | 0 | 112.8 | E120 V121 | E120-K123 WeakPolarHBondContact O-CB 3.39Å; E120-K123 PolarHBondContact O-N 2.6Å; V121-K123 PolarHBondContact O-N 2.91Å; V121-K123 VanDerWaalsContact O-N 3.11Å |
| 124 | L | 93.8 | Very high | 92.6 | Very high | 40 Ų | 40 | 58.5 Ų | 58.5 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | trans | -105 | 19.8 | -172.9 | -61.8 | -179.2 | 0 | 0 | 0 | 112.9 | I112 P115 V121 N122 Y126 R127 V216 | I112-L124 HydrophobicContact CD1-CD1 4.16Å; I112-L124 HydrophobicContact CD1-CD2 4.47Å; P115-L124 HydrophobicContact CG-CD1 3.71Å; V121-L124 WeakPolarHBondContact O-CB 3.44Å; V121-L124 PolarHBondContact O-N 3.45Å; N122-L124 VanDerWaalsContact C-N 3.32Å; L124-Y126 PolarHBondContact O-N 3.3Å; L124-R127 HydrophobicContact CB-CB 3.95Å; L124-R127 HydrophobicContact CD2-CB 4.39Å; L124-R127 HydrophobicContact CD2-CG 4.3Å; L124-R127 WeakPolarHBondContact O-CA 3.13Å; L124-R127 WeakPolarHBondContact O-CB 3.48Å; L124-R127 PolarHBondContact O-N 3.13Å; L124-V216 HydrophobicContact CB-CG2 4.36Å; L124-V216 WeakPolarHBondContact O-CB 3.49Å | ||
| 125 | E | 93.9 | Very high | 92.8 | Very high | 66 Ų | 66 | 58.9 Ų | 58.9 | 31% | 0.308 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | 131.7 | 178.1 | -163.6 | 177.3 | -164 | 0 | 0 | 111.5 | R127 R217 L218 | E125-R127 PolarHBondContact O-N 3.32Å; E125-R217 IonicContact OE1-NE 3.37Å; E125-L218 HydrophobicContact CB-CD1 3.96Å; E125-L218 HydrophobicContact CB-CG 3.89Å; E125-L218 HydrophobicContact CG-CD1 4.25Å; E125-L218 HydrophobicContact CG-CG 3.86Å |
| 126 | Y | 93.5 | Very high | 93 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 0.9 | -172.8 | -55.5 | -76.4 | 0 | 0 | 0 | 116.1 | L103 L106 T107 L124 V215 V216 R217 V274 | L103-Y126 HydrophobicContact CD2-CD1 4.19Å; L103-Y126 HydrophobicContact CD2-CD2 3.41Å; L103-Y126 VanDerWaalsContact CD2-CD2 3.41Å; L103-Y126 HydrophobicContact CD2-CE1 4.41Å; L103-Y126 HydrophobicContact CD2-CE2 3.68Å; L103-Y126 HydrophobicContact CD2-CG 3.69Å; L106-Y126 CarbonylContact C-O 3.54Å; L106-Y126 VanDerWaalsContact C-O 3.26Å; T107-Y126 HydrophobicContact CG2-CD1 4.46Å; T107-Y126 PolarHBondContact N-O 3.41Å; L124-Y126 PolarHBondContact O-N 3.3Å; Y126-V215 VanDerWaalsContact O-CG1 3.22Å; Y126-V215 WeakPolarHBondContact O-CG1 3.41Å; Y126-V216 PolarHBondContact N-O 3.2Å; Y126-R217 PolarHBondContact OH-NH2 3.33Å; Y126-V274 HydrophobicContact CD1-CG2 4.49Å; Y126-V274 HydrophobicContact CE1-CG2 4.49Å |
| 127 | R | 95.1 | Very high | 93.6 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 16% | 0.155 | 27% | 0.267 | C | S | . | . | trans | -76 | 135.9 | 172.3 | -171.9 | 64 | -179.3 | 89.9 | -12.2 | 110 | E110 I112 L124 E125 V216 | E110-R127 PolarHBondContact O-NH1 3.36Å; E110-R127 PolarHBondContact O-NH2 3.36Å; I112-R127 HydrophobicContact CD1-CG 4.13Å; I112-R127 HydrophobicContact CG1-CG 4.4Å; L124-R127 HydrophobicContact CB-CB 3.95Å; L124-R127 HydrophobicContact CD2-CB 4.39Å; L124-R127 HydrophobicContact CD2-CG 4.3Å; L124-R127 WeakPolarHBondContact O-CA 3.13Å; L124-R127 WeakPolarHBondContact O-CB 3.48Å; L124-R127 PolarHBondContact O-N 3.13Å; E125-R127 PolarHBondContact O-N 3.32Å; R127-V216 PolarHBondContact O-N 2.87Å | ||
| 128 | R | 95.8 | Very high | 94 | Very high | 51 Ų | 51 | 59 Ų | 59 | 19% | 0.192 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 129.6 | 170.8 | -71.1 | -178 | 66.9 | -155.4 | 17.2 | 111.7 | T107 A109 P111 I112 G214 V215 D258 | T107-R128 WeakPolarHBondContact O-CD 3.09Å; A109-R128 WeakPolarHBondContact O-CD 3.48Å; A109-R128 PolarHBondContact O-NH1 2.93Å; P111-R128 HydrophobicContact CB-CB 4.4Å; P111-R128 HydrophobicContact CG-CB 4.37Å; I112-R128 PolarHBondContact N-O 3.42Å; R128-G214 CarbonylContact C-O 3.44Å; R128-G214 VanDerWaalsContact CA-O 3.3Å; R128-G214 WeakPolarHBondContact CA-O 3.47Å; R128-V215 HydrophobicContact CG-CG1 3.88Å; R128-D258 IonicContact NH2-OD2 3.39Å; R128-D258 PolarHBondContact NH2-OD2 3.08Å |
| 129 | V | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 158.2 | 176 | -61.2 | 0 | 0 | 0 | 0 | 110.5 | I112 L114 V213 G214 V216 I255 | I112-V129 HydrophobicContact CG1-CG1 4.04Å; I112-V129 CarbonylContact O-C 3.43Å; I112-V129 WeakPolarHBondContact O-CA 3.45Å; L114-V129 HydrophobicContact CB-CB 4.46Å; L114-V129 HydrophobicContact CD1-CB 4.35Å; L114-V129 HydrophobicContact CD1-CG1 4.32Å; L114-V129 HydrophobicContact CD1-CG2 4.08Å; V129-V213 WeakPolarHBondContact O-CA 3.28Å; V129-G214 PolarHBondContact N-O 2.98Å; V129-G214 PolarHBondContact O-N 2.93Å; V129-V216 HydrophobicContact CB-CG2 4.34Å; V129-V216 HydrophobicContact CG1-CG2 3.63Å; V129-V216 HydrophobicContact CG2-CG2 3.71Å; V129-I255 HydrophobicContact CG2-CB 4.46Å; V129-I255 HydrophobicContact CG2-CG2 3.56Å |
| 130 | K | 96.9 | Very high | 95.1 | Very high | 92 Ų | 92 | 54.2 Ų | 54.2 | 40% | 0.4 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 141.3 | 174.7 | 63.1 | 175 | -175.6 | 172.1 | 0 | 110.8 | P111 I112 L114 V212 V213 | P111-K130 HydrophobicContact CB-CB 4.13Å; P111-K130 HydrophobicContact CB-CG 4.45Å; I112-K130 PolarHBondContact O-N 3.3Å; L114-K130 PolarHBondContact N-O 2.98Å; K130-V212 WeakPolarHBondContact CA-O 3.48Å; K130-V213 HydrophobicContact CB-CG2 4.21Å |
| 131 | V | 96.8 | Very high | 95.4 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.036 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 150.3 | 175.3 | -64.9 | 0 | 0 | 0 | 0 | 110.2 | L114 F175 I184 E211 V212 I255 | L114-V131 HydrophobicContact CB-CG1 3.53Å; L114-V131 HydrophobicContact CD2-CG1 3.7Å; L114-V131 HydrophobicContact CG-CG1 4.23Å; V131-F175 HydrophobicContact CB-CE1 4.17Å; V131-F175 HydrophobicContact CG2-CD1 4.07Å; V131-F175 HydrophobicContact CG2-CE1 3.66Å; V131-F175 HydrophobicContact CG2-CZ 4.45Å; V131-I184 HydrophobicContact CG1-CD1 4.23Å; V131-I184 HydrophobicContact CG2-CD1 4.36Å; V131-E211 WeakPolarHBondContact O-CA 3.39Å; V131-V212 HydrophobicContact CG2-CB 3.97Å; V131-V212 PolarHBondContact N-O 3.45Å; V131-V212 PolarHBondContact O-N 3.31Å; V131-I255 HydrophobicContact CG2-CD1 3.58Å |
| 132 | R | 97.4 | Very high | 95.7 | Very high | 100 Ų | 100 | 51 Ų | 51 | 38% | 0.377 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.2 | 172.5 | -75.5 | 175.9 | 49.7 | -146.6 | -10.9 | 110.9 | C177 S178 E209 V210 E211 | R132-C177 CarbonylContact O-C 3.55Å; R132-C177 WeakPolarHBondContact O-CA 3.34Å; R132-S178 PolarHBondContact O-N 3.41Å; R132-E209 IonicContact CZ-OE2 3.68Å; R132-E209 IonicContact NE-OE2 3.75Å; R132-E209 IonicContact NH2-OE1 3.98Å; R132-E209 IonicContact NH2-OE2 2.77Å; R132-E209 PolarHBondContact NH2-OE2 3.03Å; R132-V210 WeakPolarHBondContact CA-O 3.49Å; R132-E211 HydrophobicContact CG-CB 3.91Å; R132-E211 HydrophobicContact CG-CG 3.88Å |
| 133 | G | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.9 | -163.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114 | F175 H176 S178 E209 V210 | G133-F175 VanDerWaalsContact C-CE2 3.41Å; G133-F175 VanDerWaalsContact N-CZ 3.26Å; G133-F175 WeakPolarHBondContact O-CE2 3.36Å; G133-F175 VanDerWaalsContact O-CZ 3.31Å; G133-F175 WeakPolarHBondContact O-CZ 3.32Å; G133-H176 WeakPolarHBondContact CA-O 3.48Å; G133-S178 WeakPolarHBondContact CA-OG 3.3Å; G133-E209 CarbonylContact O-C 3.57Å; G133-E209 WeakPolarHBondContact O-CA 2.88Å; G133-V210 PolarHBondContact N-O 3.41Å; G133-V210 VanDerWaalsContact N-O 3.08Å; G133-V210 PolarHBondContact O-N 3.14Å |
| 134 | H | 97.3 | Very high | 96.1 | Very high | 80 Ų | 80 | 41 Ų | 41 | 37% | 0.37 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 151.6 | -177.9 | 58.4 | 82.3 | 0 | 0 | 0 | 111.8 | F175 H176 | H134-F175 WeakPolarHBondContact O-CA 3.3Å; H134-F175 WeakPolarHBondContact O-CD2 3.25Å; H134-H176 WeakPolarHBondContact CE1-CB 3.45Å; H134-H176 AromaticContact CE1-CG 3.81Å; H134-H176 PolarHBondContact N-O 3.5Å; H134-H176 AromaticContact NE2-CG 3.63Å; H134-H176 AromaticContact NE2-ND1 3.36Å; H134-H176 PolarHBondContact NE2-ND1 2.85Å; H134-H176 PolarHBondContact O-N 3.44Å |
| 135 | Y | 97.4 | Very high | 96 | Very high | 14 Ų | 14 | 43.2 Ų | 43.2 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 141.5 | 177.4 | -71.1 | -73 | 0 | 0 | 0 | 111.6 | H137 T173 F175 V186 R188 V206 V210 V212 I263 | Y135-H137 VanDerWaalsContact CB-CE1 3.4Å; Y135-H137 WeakPolarHBondContact CB-CE1 3.38Å; Y135-H137 WeakPolarHBondContact CB-NE2 3.42Å; Y135-H137 AromaticContact CG-CE1 3.87Å; Y135-H137 PolarHBondContact O-N 2.86Å; Y135-T173 HydrophobicContact CD1-CG2 3.8Å; Y135-T173 HydrophobicContact CG-CG2 4.26Å; Y135-F175 HydrophobicContact CD1-CB 4.4Å; Y135-F175 AromaticContact CD1-CD2 3.58Å; Y135-F175 HydrophobicContact CD1-CD2 3.58Å; Y135-F175 HydrophobicContact CD1-CE2 4.37Å; Y135-F175 HydrophobicContact CD1-CG 4.46Å; Y135-F175 HydrophobicContact CD2-CD2 4.31Å; Y135-F175 HydrophobicContact CD2-CE2 4.36Å; Y135-F175 AromaticContact CE1-CD2 3.68Å; Y135-F175 HydrophobicContact CE1-CD2 3.68Å; Y135-F175 HydrophobicContact CE1-CE2 4.28Å; Y135-F175 HydrophobicContact CE1-CG 4.5Å; Y135-F175 HydrophobicContact CE2-CD2 4.39Å; Y135-F175 HydrophobicContact CE2-CE2 4.28Å; Y135-F175 AromaticContact CG-CD2 3.92Å; Y135-F175 HydrophobicContact CG-CD2 3.92Å; Y135-F175 HydrophobicContact CG-CE2 4.4Å; Y135-V186 HydrophobicContact CE1-CB 3.98Å; Y135-V186 HydrophobicContact CE1-CG1 3.93Å; Y135-V186 HydrophobicContact CE1-CG2 4.4Å; Y135-R188 HydrophobicContact CD1-CG 4.42Å; Y135-R188 HydrophobicContact CE1-CG 3.71Å; Y135-V206 HydrophobicContact CD2-CG2 4.32Å; Y135-V210 HydrophobicContact CD2-CG2 4.12Å; Y135-V210 HydrophobicContact CE2-CG2 3.67Å; Y135-V212 HydrophobicContact CE2-CG2 4.48Å; Y135-V212 VanDerWaalsContact OH-CG2 3.25Å; Y135-V212 WeakPolarHBondContact OH-CG2 3.45Å; Y135-I263 HydrophobicContact CE2-CD1 3.95Å |
| 136 | D | 96.9 | Very high | 95.9 | Very high | 37 Ų | 37 | 43.6 Ų | 43.6 | 20% | 0.198 | 21% | 0.208 | C | C | . | . | trans | -96 | 83.9 | 167.3 | -174.4 | -8.7 | 0 | 0 | 0 | 109 | S138 Q139 T173 P174 K183 | D136-S138 PolarHBondContact O-N 3.36Å; D136-S138 VanDerWaalsContact O-N 3.16Å; D136-S138 PolarHBondContact OD1-N 3.43Å; D136-S138 PolarHBondContact OD1-OG 2.9Å; D136-Q139 PolarHBondContact O-N 3.48Å; D136-Q139 PolarHBondContact OD2-NE2 3.42Å; D136-T173 WeakPolarHBondContact O-CG2 2.99Å; D136-P174 HydrophobicContact CB-CB 4.22Å; D136-P174 PolarHBondContact N-O 3.29Å; D136-K183 IonicContact OD2-NZ 3.09Å; D136-K183 PolarHBondContact OD2-NZ 3.02Å; D136-K183 VanDerWaalsContact OD2-NZ 3.09Å | ||
| 137 | H | 95.9 | Very high | 95.6 | Very high | 35 Ų | 35 | 44.2 Ų | 44.2 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -66.4 | -11.9 | -177.1 | -69 | -55.7 | 0 | 0 | 0 | 114.2 | Y135 Q139 E140 R188 Q205 V206 | Y135-H137 VanDerWaalsContact CB-CE1 3.4Å; Y135-H137 WeakPolarHBondContact CB-CE1 3.38Å; Y135-H137 WeakPolarHBondContact CB-NE2 3.42Å; Y135-H137 AromaticContact CG-CE1 3.87Å; Y135-H137 PolarHBondContact O-N 2.86Å; H137-Q139 VanDerWaalsContact C-N 3.27Å; H137-Q139 PolarHBondContact O-N 3.02Å; H137-E140 IonicContact CE1-OE1 3.18Å; H137-E140 IonicContact CG-OE1 3.93Å; H137-E140 IonicContact ND1-OE1 3.78Å; H137-E140 PolarHBondContact ND1-OE1 2.84Å; H137-R188 PolarHBondContact CE1-NH1 2.7Å; H137-Q205 PolarHBondContact CE1-OE1 2.77Å; H137-Q205 VanDerWaalsContact CE1-OE1 3.3Å; H137-Q205 PolarHBondContact ND1-OE1 2.96Å; H137-Q205 WeakPolarHBondContact NE2-CA 3.49Å; H137-V206 PolarHBondContact CD2-O 2.58Å; H137-V206 PolarHBondContact NE2-N 3.23Å; H137-V206 PolarHBondContact NE2-O 2.77Å |
| 138 | S | 94.7 | Very high | 95.3 | Very high | 102 Ų | 102 | 44.2 Ų | 44.2 | 71% | 0.713 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -74.3 | -19.5 | 178 | 75.3 | 0 | 0 | 0 | 0 | 113 | D136 | D136-S138 PolarHBondContact O-N 3.36Å; D136-S138 VanDerWaalsContact O-N 3.16Å; D136-S138 PolarHBondContact OD1-N 3.43Å; D136-S138 PolarHBondContact OD1-OG 2.9Å |
| 139 | Q | 95.3 | Very high | 94.7 | Very high | 57 Ų | 57 | 43 Ų | 43 | 27% | 0.266 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -120.4 | 33.4 | -172.2 | -62.3 | -170 | 76.2 | 0 | 0 | 113 | D136 H137 P174 T248 | D136-Q139 PolarHBondContact O-N 3.48Å; D136-Q139 PolarHBondContact OD2-NE2 3.42Å; H137-Q139 VanDerWaalsContact C-N 3.27Å; H137-Q139 PolarHBondContact O-N 3.02Å; Q139-P174 HydrophobicContact CB-CG 3.85Å; Q139-P174 WeakPolarHBondContact O-CD 3.28Å; Q139-T248 HydrophobicContact CB-CG2 4.36Å; Q139-T248 PolarHBondContact OE1-O 3.37Å |
| 140 | E | 96.9 | Very high | 93.9 | Very high | 7 Ų | 7 | 46.1 Ų | 46.1 | 3% | 0.033 | 24% | 0.24 | C | C | . | . | trans | -65.9 | 136.3 | 178.2 | -67.1 | -174.1 | 162.6 | 0 | 0 | 112 | H137 Y142 V171 I172 T173 R188 R201 Q205 N234 | H137-E140 IonicContact CE1-OE1 3.18Å; H137-E140 IonicContact CG-OE1 3.93Å; H137-E140 IonicContact ND1-OE1 3.78Å; H137-E140 PolarHBondContact ND1-OE1 2.84Å; E140-Y142 HydrophobicContact CB-CE1 4.46Å; E140-Y142 PolarHBondContact OE2-OH 2.72Å; E140-V171 HydrophobicContact CB-CG1 4.23Å; E140-V171 HydrophobicContact CG-CG1 4.25Å; E140-I172 CarbonylContact C-O 3.39Å; E140-I172 WeakPolarHBondContact CA-O 3.39Å; E140-T173 HydrophobicContact CG-CG2 3.85Å; E140-T173 WeakPolarHBondContact CG-OG1 3.32Å; E140-R188 IonicContact OE1-NH1 3.5Å; E140-R188 PolarHBondContact OE1-NH1 3.34Å; E140-R201 IonicContact OE1-NH1 3.34Å; E140-R201 PolarHBondContact OE1-NH1 3.32Å; E140-R201 VanDerWaalsContact OE1-NH1 3.08Å; E140-R201 IonicContact OE2-CZ 2.87Å; E140-R201 IonicContact OE2-NH1 3.08Å; E140-R201 PolarHBondContact OE2-NH1 3.48Å; E140-R201 IonicContact OE2-NH2 2.98Å; E140-R201 PolarHBondContact OE2-NH2 3.03Å; E140-Q205 PolarHBondContact OE1-NE2 2.87Å; E140-Q205 PolarHBondContact OE1-OE1 2.96Å; E140-Q205 PolarHBondContact OE2-NE2 3.26Å; E140-N234 PolarHBondContact O-ND2 2.75Å | ||
| 141 | L | 97.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 144.5 | 177.6 | -51 | 177.7 | 0 | 0 | 0 | 110.6 | I172 N234 W236 M244 T248 | L141-I172 HydrophobicContact CB-CB 4.21Å; L141-I172 PolarHBondContact N-O 3.44Å; L141-I172 PolarHBondContact O-N 3.17Å; L141-N234 WeakPolarHBondContact CA-OD1 3.27Å; L141-N234 VanDerWaalsContact CD2-OD1 3.23Å; L141-N234 WeakPolarHBondContact CD2-OD1 3.46Å; L141-W236 HydrophobicContact CD1-CZ2 4.28Å; L141-W236 HydrophobicContact CD2-CZ2 4.47Å; L141-M244 HydrophobicContact CD1-CB 3.65Å; L141-M244 HydrophobicContact CD1-CG 3.61Å; L141-M244 HydrophobicContact CD1-SD 4.26Å; L141-T248 HydrophobicContact CD1-CG2 3.8Å; L141-T248 HydrophobicContact CD2-CG2 4.25Å; L141-T248 HydrophobicContact CG-CG2 4.12Å |
| 142 | Y | 97.6 | Very high | 91.4 | Very high | 30 Ų | 30 | 52 Ų | 52 | 12% | 0.118 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 112.2 | -173.3 | -54.9 | -71.3 | 0 | 0 | 0 | 112.4 | E140 V171 I196 P198 R201 W236 | E140-Y142 HydrophobicContact CB-CE1 4.46Å; E140-Y142 PolarHBondContact OE2-OH 2.72Å; Y142-V171 HydrophobicContact CD1-CG2 4.16Å; Y142-V171 HydrophobicContact CE1-CG1 4.15Å; Y142-V171 HydrophobicContact CE1-CG2 4.1Å; Y142-I196 HydrophobicContact CD1-CG2 3.77Å; Y142-I196 HydrophobicContact CD2-CG2 4.46Å; Y142-I196 HydrophobicContact CE1-CG2 3.92Å; Y142-I196 WeakPolarHBondContact CE1-O 3.36Å; Y142-I196 HydrophobicContact CG-CG2 4.05Å; Y142-P198 WeakPolarHBondContact OH-CD 3.39Å; Y142-P198 WeakPolarHBondContact OH-CG 3.23Å; Y142-R201 PolarHBondContact OH-NH2 3.17Å; Y142-W236 WeakPolarHBondContact O-CB 3.43Å; Y142-W236 PolarHBondContact O-N 3.43Å |
| 143 | I | 96.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116.2 | 169.8 | -56.9 | 177.2 | 0 | 0 | 0 | 109.3 | R146 A169 N170 I172 W236 R239 M244 | I143-R146 HydrophobicContact CG2-CG 4.38Å; I143-R146 VanDerWaalsContact O-CG 3.3Å; I143-R146 WeakPolarHBondContact O-CG 3.31Å; I143-A169 CarbonylContact O-C 3.55Å; I143-A169 VanDerWaalsContact O-CA 3.28Å; I143-A169 WeakPolarHBondContact O-CA 3.49Å; I143-N170 HydrophobicContact CB-CB 4.37Å; I143-N170 PolarHBondContact N-O 3.22Å; I143-N170 PolarHBondContact O-N 3.11Å; I143-I172 HydrophobicContact CB-CD1 4.21Å; I143-I172 HydrophobicContact CD1-CD1 3.56Å; I143-I172 HydrophobicContact CD1-CG1 4.14Å; I143-I172 HydrophobicContact CG1-CD1 3.57Å; I143-I172 HydrophobicContact CG1-CG1 4.43Å; I143-W236 CarbonylContact C-O 3.57Å; I143-W236 VanDerWaalsContact CA-O 3.25Å; I143-W236 WeakPolarHBondContact CA-O 3.29Å; I143-W236 HydrophobicContact CB-CB 4.41Å; I143-W236 HydrophobicContact CG1-CB 3.85Å; I143-R239 HydrophobicContact CD1-CB 4.04Å; I143-M244 HydrophobicContact CD1-CE 3.88Å; I143-M244 HydrophobicContact CG1-CE 3.86Å |
| 144 | M | 94.4 | Very high | 89.2 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 155 | -176.8 | 67.7 | -173.7 | -48.9 | 0 | 0 | 113 | A169 I196 R235 W236 H237 | M144-A169 HydrophobicContact CB-CB 3.93Å; M144-I196 HydrophobicContact CE-CD1 3.65Å; M144-R235 HydrophobicContact CG-CG 3.94Å; M144-R235 HydrophobicContact SD-CG 4.11Å; M144-W236 PolarHBondContact N-O 3.13Å; M144-W236 VanDerWaalsContact O-O 3.05Å; M144-H237 PolarHBondContact O-ND1 3.34Å |
| 145 | P | 92.6 | Very high | 87.9 | Confident | 87 Ų | 87 | 52.7 Ų | 52.7 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | cis | -73.9 | 142.3 | -4.6 | 30.5 | -34 | 0 | 0 | 0 | 112.5 | I167 | P145-I167 HydrophobicContact CB-CG2 3.52Å |
| 146 | R | 91 | Very high | 86.7 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 28% | 0.275 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 154.1 | 169.7 | -67.3 | -62.2 | -165.4 | -160.4 | 5.3 | 109.8 | I143 G168 N170 E220 | I143-R146 HydrophobicContact CG2-CG 4.38Å; I143-R146 VanDerWaalsContact O-CG 3.3Å; I143-R146 WeakPolarHBondContact O-CG 3.31Å; R146-G168 PolarHBondContact N-O 3.39Å; R146-G168 CarbonylContact O-C 3.54Å; R146-G168 PolarHBondContact O-N 2.88Å; R146-N170 HydrophobicContact CG-CB 4.33Å; R146-E220 IonicContact NH2-OE2 2.76Å |
| 147 | S | 88.4 | Confident | 85.3 | Confident | 63 Ų | 63 | 63.1 Ų | 63.1 | 44% | 0.441 | 34% | 0.336 | S | S | . | . | trans | -117 | 148.5 | 172.4 | -65.6 | 0 | 0 | 0 | 0 | 108.8 | V149 E166 | S147-V149 PolarHBondContact O-N 2.92Å; S147-E166 WeakPolarHBondContact CA-O 3.44Å; S147-E166 PolarHBondContact OG-O 3.32Å | ||
| 148 | P | 87.8 | Confident | 83.8 | Confident | 41 Ų | 41 | 65.3 Ų | 65.3 | 27% | 0.266 | 36% | 0.36 | S | S | . | . | trans | -64 | 138 | 179.4 | 26.3 | -30.3 | 0 | 0 | 0 | 109.5 | E166 Y190 | P148-E166 WeakPolarHBondContact CD-O 3.29Å; P148-E166 HydrophobicContact CG-CB 4.48Å; P148-Y190 HydrophobicContact CB-CD1 3.79Å; P148-Y190 HydrophobicContact CB-CD2 4.45Å; P148-Y190 HydrophobicContact CB-CE1 3.74Å; P148-Y190 HydrophobicContact CB-CE2 4.41Å; P148-Y190 HydrophobicContact CB-CG 4.15Å; P148-Y190 HydrophobicContact CG-CE1 3.99Å; P148-Y190 HydrophobicContact CG-CE2 4.48Å | ||
| 149 | V | 82.9 | Confident | 82 | Confident | 24 Ų | 24 | 64 Ų | 64 | 15% | 0.145 | 36% | 0.363 | C | S | . | . | trans | -87.8 | 109.7 | 170.2 | -174 | 0 | 0 | 0 | 0 | 107.1 | S147 Q271 R273 | S147-V149 PolarHBondContact O-N 2.92Å; V149-Q271 HydrophobicContact CG2-CB 4.38Å; V149-Q271 VanDerWaalsContact CG2-O 3.32Å; V149-Q271 WeakPolarHBondContact CG2-O 3.23Å; V149-Q271 PolarHBondContact O-NE2 3.5Å; V149-R273 HydrophobicContact CB-CG 4.29Å; V149-R273 HydrophobicContact CG1-CG 3.99Å; V149-R273 HydrophobicContact CG2-CG 3.28Å | ||
| 150 | D | 79.8 | Confident | 80.4 | Confident | 67 Ų | 67 | 64.4 Ų | 64.4 | 36% | 0.358 | 37% | 0.372 | S | S | . | . | trans | -125.1 | 106.4 | 171.9 | 175.8 | -16.7 | 0 | 0 | 0 | 107.2 | E152 K153 E154 | D150-E152 VanDerWaalsContact C-N 3.26Å; D150-E152 PolarHBondContact O-N 2.62Å; D150-E152 WeakPolarHBondContact OD1-CB 3.13Å; D150-E152 PolarHBondContact OD1-N 3.37Å; D150-K153 HydrophobicContact CB-CB 3.75Å; D150-K153 VanDerWaalsContact CG-CB 3.46Å; D150-K153 PolarHBondContact O-N 3.4Å; D150-K153 PolarHBondContact OD1-N 2.63Å; D150-K153 WeakPolarHBondContact OD2-CB 3.43Å; D150-E154 WeakPolarHBondContact O-CB 3Å; D150-E154 WeakPolarHBondContact O-CG 3.25Å; D150-E154 PolarHBondContact O-N 2.88Å | ||
| 151 | P | 70.6 | Confident | 78.3 | Confident | 100 Ų | 100 | 72.8 Ų | 72.8 | 65% | 0.649 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -58.8 | -34.7 | -178.4 | -25.2 | 34.4 | 0 | 0 | 0 | 113.8 | A155 | P151-A155 VanDerWaalsContact O-CB 3.3Å; P151-A155 WeakPolarHBondContact O-CB 3.2Å; P151-A155 PolarHBondContact O-N 3.41Å |
| 152 | E | 71.3 | Confident | 76.2 | Confident | 120 Ų | 120 | 75.8 Ų | 75.8 | 56% | 0.561 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -71.4 | -44.1 | 178.6 | -67.5 | -167.8 | -173.5 | 0 | 0 | 110.8 | D150 A155 R156 | D150-E152 VanDerWaalsContact C-N 3.26Å; D150-E152 PolarHBondContact O-N 2.62Å; D150-E152 WeakPolarHBondContact OD1-CB 3.13Å; D150-E152 PolarHBondContact OD1-N 3.37Å; E152-A155 PolarHBondContact O-N 3.36Å; E152-R156 WeakPolarHBondContact O-CG 3.23Å; E152-R156 PolarHBondContact O-N 3.46Å; E152-R156 IonicContact OE2-CZ 2.74Å; E152-R156 IonicContact OE2-NH1 3.08Å; E152-R156 PolarHBondContact OE2-NH1 2.89Å; E152-R156 VanDerWaalsContact OE2-NH1 3.17Å; E152-R156 IonicContact OE2-NH2 3.3Å; E152-R156 PolarHBondContact OE2-NH2 3.13Å |
| 153 | K | 73.7 | Confident | 74.1 | Confident | 66 Ų | 66 | 80.1 Ų | 80.1 | 29% | 0.287 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 177.1 | -171.1 | 178 | 177.9 | 178.8 | 0 | 111.6 | D150 A155 R156 E157 | D150-K153 HydrophobicContact CB-CB 3.75Å; D150-K153 VanDerWaalsContact CG-CB 3.46Å; D150-K153 PolarHBondContact O-N 3.4Å; D150-K153 PolarHBondContact OD1-N 2.63Å; D150-K153 WeakPolarHBondContact OD2-CB 3.43Å; K153-A155 VanDerWaalsContact C-N 3.25Å; K153-A155 PolarHBondContact O-N 3.21Å; K153-R156 PolarHBondContact O-N 3.24Å; K153-E157 WeakPolarHBondContact CE-OE1 3.44Å; K153-E157 HydrophobicContact CG-CG 4.33Å; K153-E157 WeakPolarHBondContact CG-OE1 3.45Å; K153-E157 WeakPolarHBondContact O-CB 3.49Å; K153-E157 WeakPolarHBondContact O-CG 3.4Å; K153-E157 PolarHBondContact O-N 3.14Å |
| 154 | E | 74.4 | Confident | 72 | Confident | 58 Ų | 58 | 84 Ų | 84 | 27% | 0.271 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.3 | -36.8 | 175.5 | -76.9 | -164.3 | 157.8 | 0 | 0 | 111.4 | D150 A158 R273 | D150-E154 WeakPolarHBondContact O-CB 3Å; D150-E154 WeakPolarHBondContact O-CG 3.25Å; D150-E154 PolarHBondContact O-N 2.88Å; E154-A158 WeakPolarHBondContact O-CB 3.4Å; E154-A158 PolarHBondContact O-N 3.09Å; E154-A158 VanDerWaalsContact O-N 3.1Å; E154-R273 IonicContact OE1-CZ 2.62Å; E154-R273 IonicContact OE1-NE 3.63Å; E154-R273 PolarHBondContact OE1-NE 3.37Å; E154-R273 VanDerWaalsContact OE1-NE 3.08Å; E154-R273 IonicContact OE1-NH2 3.17Å; E154-R273 PolarHBondContact OE1-NH2 3.27Å |
| 155 | A | 69.2 | Low | 70.5 | Confident | 72 Ų | 72 | 83.2 Ų | 83.2 | 60% | 0.595 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.9 | -41.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P151 E152 K153 A158 | P151-A155 VanDerWaalsContact O-CB 3.3Å; P151-A155 WeakPolarHBondContact O-CB 3.2Å; P151-A155 PolarHBondContact O-N 3.41Å; E152-A155 PolarHBondContact O-N 3.36Å; K153-A155 VanDerWaalsContact C-N 3.25Å; K153-A155 PolarHBondContact O-N 3.21Å; A155-A158 WeakPolarHBondContact O-CB 3.34Å; A155-A158 PolarHBondContact O-N 3.17Å |
| 156 | R | 71.9 | Confident | 69.8 | Low | 192 Ų | 192 | 84.7 Ų | 84.7 | 73% | 0.725 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.3 | -37.7 | 176.8 | -73.4 | 176.1 | -178.5 | 122.7 | 6.5 | 112.4 | E152 K153 | E152-R156 WeakPolarHBondContact O-CG 3.23Å; E152-R156 PolarHBondContact O-N 3.46Å; E152-R156 IonicContact OE2-CZ 2.74Å; E152-R156 IonicContact OE2-NH1 3.08Å; E152-R156 PolarHBondContact OE2-NH1 2.89Å; E152-R156 VanDerWaalsContact OE2-NH1 3.17Å; E152-R156 IonicContact OE2-NH2 3.3Å; E152-R156 PolarHBondContact OE2-NH2 3.13Å; K153-R156 PolarHBondContact O-N 3.24Å |
| 157 | E | 69.3 | Low | 69.8 | Low | 77 Ų | 77 | 86.1 Ų | 86.1 | 36% | 0.36 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 4.7 | -177.9 | -64.5 | 178.2 | -178.1 | 0 | 0 | 113 | K153 G159 S160 | K153-E157 WeakPolarHBondContact CE-OE1 3.44Å; K153-E157 HydrophobicContact CG-CG 4.33Å; K153-E157 WeakPolarHBondContact CG-OE1 3.45Å; K153-E157 WeakPolarHBondContact O-CB 3.49Å; K153-E157 WeakPolarHBondContact O-CG 3.4Å; K153-E157 PolarHBondContact O-N 3.14Å; E157-G159 PolarHBondContact O-N 2.79Å; E157-S160 WeakPolarHBondContact O-CB 3.39Å; E157-S160 PolarHBondContact O-N 3.48Å |
| 158 | A | 62.6 | Low | 70 | Confident | 81 Ų | 81 | 83.1 Ų | 83.1 | 67% | 0.669 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 106.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E154 A155 | E154-A158 WeakPolarHBondContact O-CB 3.4Å; E154-A158 PolarHBondContact O-N 3.09Å; E154-A158 VanDerWaalsContact O-N 3.1Å; A155-A158 WeakPolarHBondContact O-CB 3.34Å; A155-A158 PolarHBondContact O-N 3.17Å |
| 159 | G | 58.6 | Low | 70.4 | Confident | 75 Ų | 75 | 81.1 Ų | 81.1 | 77% | 0.773 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.2 | -1.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E157 | E157-G159 PolarHBondContact O-N 2.79Š|
| 160 | S | 61.7 | Low | 71.1 | Confident | 66 Ų | 66 | 80.7 Ų | 80.7 | 46% | 0.462 | 48% | 0.478 | S | S | . | . | trans | -73.9 | 139.8 | 170 | -172.3 | 0 | 0 | 0 | 0 | 111.5 | E157 S162 | E157-S160 WeakPolarHBondContact O-CB 3.39Å; E157-S160 PolarHBondContact O-N 3.48Å; S160-S162 PolarHBondContact OG-N 2.64Å; S160-S162 PolarHBondContact OG-OG 3.12Å | ||
| 161 | L | 52.1 | Low | 71.9 | Confident | 182 Ų | 182 | 77.5 Ų | 77.5 | 95% | 0.953 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -83.9 | -10.4 | 174.8 | -66.6 | 173 | 0 | 0 | 0 | 112.8 | ||
| 162 | S | 52.9 | Low | 73.2 | Confident | 69 Ų | 69 | 72.8 Ų | 72.8 | 48% | 0.483 | 43% | 0.43 | S | S | . | . | trans | -91.9 | 104.7 | 180 | 61 | 0 | 0 | 0 | 0 | 111 | S160 S164 | S160-S162 PolarHBondContact OG-N 2.64Å; S160-S162 PolarHBondContact OG-OG 3.12Å; S162-S164 PolarHBondContact O-N 3.34Å | ||
| 163 | S | 53.8 | Low | 74.5 | Confident | 122 Ų | 122 | 67 Ų | 67 | 85% | 0.853 | 40% | 0.403 | S | S | * | . | trans | -81.1 | 66.3 | 167.9 | 69.1 | 0 | 0 | 0 | 0 | 110.6 | G165 | S163-G165 PolarHBondContact O-N 3.31Š| ||
| 164 | S | 52.7 | Low | 75.7 | Confident | 84 Ų | 84 | 63.9 Ų | 63.9 | 59% | 0.587 | 39% | 0.39 | S | S | * | . | trans | -80.9 | 37.4 | 171.1 | 61.3 | 0 | 0 | 0 | 0 | 111.4 | S162 | S162-S164 PolarHBondContact O-N 3.34Š| ||
| 165 | G | 63 | Low | 76.8 | Confident | 29 Ų | 29 | 61.1 Ų | 61.1 | 30% | 0.299 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 131.8 | 176 | 0 | 0 | 0 | 0 | 0 | 109.3 | S163 I167 | S163-G165 PolarHBondContact O-N 3.31Å; G165-I167 PolarHBondContact O-N 3.01Å |
| 166 | E | 78.8 | Confident | 78.1 | Confident | 118 Ų | 118 | 60.9 Ų | 60.9 | 55% | 0.551 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -56 | 130.4 | 169.3 | -66.6 | -178.3 | 175.9 | 0 | 0 | 109 | S147 P148 Y190 | S147-E166 WeakPolarHBondContact CA-O 3.44Å; S147-E166 PolarHBondContact OG-O 3.32Å; P148-E166 WeakPolarHBondContact CD-O 3.29Å; P148-E166 HydrophobicContact CG-CB 4.48Å; E166-Y190 WeakPolarHBondContact CB-OH 3.31Å; E166-Y190 PolarHBondContact O-OH 3.4Å |
| 167 | I | 89.3 | Confident | 79.3 | Confident | 102 Ų | 102 | 51.9 Ų | 51.9 | 52% | 0.523 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -96.6 | 132.7 | 176.8 | -59.5 | 172.9 | 0 | 0 | 0 | 107.7 | P145 G165 K193 | P145-I167 HydrophobicContact CB-CG2 3.52Å; G165-I167 PolarHBondContact O-N 3.01Å; I167-K193 WeakPolarHBondContact O-CB 3.12Å; I167-K193 PolarHBondContact O-N 3.04Å |
| 168 | G | 94.2 | Very high | 80.5 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | -149.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111 | R146 V191 | R146-G168 PolarHBondContact N-O 3.39Å; R146-G168 CarbonylContact O-C 3.54Å; R146-G168 PolarHBondContact O-N 2.88Å; G168-V191 CarbonylContact C-O 3.56Å; G168-V191 WeakPolarHBondContact CA-O 3.06Å |
| 169 | A | 95.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 154.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I143 M144 Y190 V191 I196 | I143-A169 CarbonylContact O-C 3.55Å; I143-A169 VanDerWaalsContact O-CA 3.28Å; I143-A169 WeakPolarHBondContact O-CA 3.49Å; M144-A169 HydrophobicContact CB-CB 3.93Å; A169-Y190 CarbonylContact O-C 3.53Å; A169-Y190 WeakPolarHBondContact O-CA 3.47Å; A169-V191 HydrophobicContact CB-CG2 4.36Å; A169-V191 PolarHBondContact N-O 3.4Å; A169-V191 PolarHBondContact O-N 3.01Å; A169-I196 HydrophobicContact CB-CD1 3.92Å; A169-I196 HydrophobicContact CB-CG1 3.94Å |
| 170 | N | 96.9 | Very high | 83.3 | Confident | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.08 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 135.1 | 158.6 | -72.4 | 4 | 0 | 0 | 0 | 108.8 | I143 R146 I172 G189 | I143-N170 HydrophobicContact CB-CB 4.37Å; I143-N170 PolarHBondContact N-O 3.22Å; I143-N170 PolarHBondContact O-N 3.11Å; R146-N170 HydrophobicContact CG-CB 4.33Å; N170-I172 HydrophobicContact CB-CD1 4.07Å; N170-I172 WeakPolarHBondContact O-CD1 3.34Å; N170-G189 CarbonylContact C-O 3.56Å; N170-G189 VanDerWaalsContact CA-O 3.25Å; N170-G189 WeakPolarHBondContact CA-O 3.47Å |
| 171 | V | 97.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 116.3 | 178.2 | -174.3 | 0 | 0 | 0 | 0 | 108.9 | E140 Y142 R188 G189 V191 P267 | E140-V171 HydrophobicContact CB-CG1 4.23Å; E140-V171 HydrophobicContact CG-CG1 4.25Å; Y142-V171 HydrophobicContact CD1-CG2 4.16Å; Y142-V171 HydrophobicContact CE1-CG1 4.15Å; Y142-V171 HydrophobicContact CE1-CG2 4.1Å; V171-R188 PolarHBondContact O-N 2.95Å; V171-G189 PolarHBondContact N-O 2.82Å; V171-V191 HydrophobicContact CG2-CB 4.44Å; V171-V191 HydrophobicContact CG2-CG1 3.95Å; V171-V191 HydrophobicContact CG2-CG2 3.6Å; V171-P267 HydrophobicContact CB-CB 4.3Å; V171-P267 HydrophobicContact CB-CG 3.79Å; V171-P267 HydrophobicContact CG1-CG 4.3Å; V171-P267 HydrophobicContact CG2-CB 4.32Å; V171-P267 HydrophobicContact CG2-CG 3.81Å |
| 172 | I | 98.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 123.8 | 175.2 | -67.6 | 62.5 | 0 | 0 | 0 | 106 | E140 L141 I143 N170 L185 V186 N187 L254 | E140-I172 CarbonylContact C-O 3.39Å; E140-I172 WeakPolarHBondContact CA-O 3.39Å; L141-I172 HydrophobicContact CB-CB 4.21Å; L141-I172 PolarHBondContact N-O 3.44Å; L141-I172 PolarHBondContact O-N 3.17Å; I143-I172 HydrophobicContact CB-CD1 4.21Å; I143-I172 HydrophobicContact CD1-CD1 3.56Å; I143-I172 HydrophobicContact CD1-CG1 4.14Å; I143-I172 HydrophobicContact CG1-CD1 3.57Å; I143-I172 HydrophobicContact CG1-CG1 4.43Å; N170-I172 HydrophobicContact CB-CD1 4.07Å; N170-I172 WeakPolarHBondContact O-CD1 3.34Å; I172-L185 HydrophobicContact CG2-CB 4.01Å; I172-L185 HydrophobicContact CG2-CD2 4.07Å; I172-V186 CarbonylContact C-O 3.5Å; I172-V186 WeakPolarHBondContact CA-O 3.39Å; I172-N187 HydrophobicContact CD1-CB 4.37Å; I172-N187 HydrophobicContact CG1-CB 4.07Å; I172-L254 HydrophobicContact CG1-CD1 4.23Å; I172-L254 HydrophobicContact CG2-CD1 4.23Å |
| 173 | T | 98 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 130.5 | -178.4 | -52 | 0 | 0 | 0 | 0 | 108.3 | Y135 D136 E140 V186 R188 | Y135-T173 HydrophobicContact CD1-CG2 3.8Å; Y135-T173 HydrophobicContact CG-CG2 4.26Å; D136-T173 WeakPolarHBondContact O-CG2 2.99Å; E140-T173 HydrophobicContact CG-CG2 3.85Å; E140-T173 WeakPolarHBondContact CG-OG1 3.32Å; T173-V186 PolarHBondContact N-O 2.86Å; T173-V186 PolarHBondContact O-N 2.96Å; T173-R188 WeakPolarHBondContact OG1-CD 3.43Å |
| 174 | P | 97.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 142.5 | 171.1 | -20.8 | 33.6 | 0 | 0 | 0 | 110.1 | D136 Q139 K183 I184 L185 T248 | D136-P174 HydrophobicContact CB-CB 4.22Å; D136-P174 PolarHBondContact N-O 3.29Å; Q139-P174 HydrophobicContact CB-CG 3.85Å; Q139-P174 WeakPolarHBondContact O-CD 3.28Å; P174-K183 HydrophobicContact CB-CD 3.77Å; P174-K183 HydrophobicContact CB-CG 3.98Å; P174-I184 CarbonylContact C-O 3.55Å; P174-I184 VanDerWaalsContact CA-O 3.28Å; P174-I184 WeakPolarHBondContact CA-O 3.47Å; P174-L185 HydrophobicContact CG-CD2 4.3Å; P174-T248 HydrophobicContact CG-CG2 3.56Å |
| 175 | F | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 122.5 | -173.6 | -174.6 | -99.9 | 0 | 0 | 0 | 108.6 | V131 G133 H134 Y135 C177 K183 I184 V186 V210 V212 | V131-F175 HydrophobicContact CB-CE1 4.17Å; V131-F175 HydrophobicContact CG2-CD1 4.07Å; V131-F175 HydrophobicContact CG2-CE1 3.66Å; V131-F175 HydrophobicContact CG2-CZ 4.45Å; G133-F175 VanDerWaalsContact C-CE2 3.41Å; G133-F175 VanDerWaalsContact N-CZ 3.26Å; G133-F175 WeakPolarHBondContact O-CE2 3.36Å; G133-F175 VanDerWaalsContact O-CZ 3.31Å; G133-F175 WeakPolarHBondContact O-CZ 3.32Å; H134-F175 WeakPolarHBondContact O-CA 3.3Å; H134-F175 WeakPolarHBondContact O-CD2 3.25Å; Y135-F175 HydrophobicContact CD1-CB 4.4Å; Y135-F175 AromaticContact CD1-CD2 3.58Å; Y135-F175 HydrophobicContact CD1-CD2 3.58Å; Y135-F175 HydrophobicContact CD1-CE2 4.37Å; Y135-F175 HydrophobicContact CD1-CG 4.46Å; Y135-F175 HydrophobicContact CD2-CD2 4.31Å; Y135-F175 HydrophobicContact CD2-CE2 4.36Å; Y135-F175 AromaticContact CE1-CD2 3.68Å; Y135-F175 HydrophobicContact CE1-CD2 3.68Å; Y135-F175 HydrophobicContact CE1-CE2 4.28Å; Y135-F175 HydrophobicContact CE1-CG 4.5Å; Y135-F175 HydrophobicContact CE2-CD2 4.39Å; Y135-F175 HydrophobicContact CE2-CE2 4.28Å; Y135-F175 AromaticContact CG-CD2 3.92Å; Y135-F175 HydrophobicContact CG-CD2 3.92Å; Y135-F175 HydrophobicContact CG-CE2 4.4Å; F175-C177 PolarHBondContact O-N 3.39Å; F175-K183 CarbonylContact O-C 3.57Å; F175-K183 WeakPolarHBondContact O-CA 3.49Å; F175-I184 HydrophobicContact CB-CG1 4.22Å; F175-I184 HydrophobicContact CD1-CG1 4.44Å; F175-I184 PolarHBondContact N-O 3.2Å; F175-I184 PolarHBondContact O-N 3.49Å; F175-V186 HydrophobicContact CB-CB 4.31Å; F175-V186 HydrophobicContact CB-CG2 3.39Å; F175-V186 HydrophobicContact CD1-CG2 4.28Å; F175-V186 HydrophobicContact CD2-CG2 4.42Å; F175-V186 HydrophobicContact CG-CG2 3.81Å; F175-V210 HydrophobicContact CE2-CG2 3.78Å; F175-V210 HydrophobicContact CZ-CG2 4.26Å; F175-V212 HydrophobicContact CE2-CG2 3.91Å; F175-V212 HydrophobicContact CZ-CG2 3.91Å |
| 176 | H | 97.3 | Very high | 94.7 | Very high | 67 Ų | 67 | 32.1 Ų | 32.1 | 31% | 0.31 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 109.5 | 178.2 | -176.3 | -92.1 | 0 | 0 | 0 | 108.8 | G133 H134 S178 | G133-H176 WeakPolarHBondContact CA-O 3.48Å; H134-H176 WeakPolarHBondContact CE1-CB 3.45Å; H134-H176 AromaticContact CE1-CG 3.81Å; H134-H176 PolarHBondContact N-O 3.5Å; H134-H176 AromaticContact NE2-CG 3.63Å; H134-H176 AromaticContact NE2-ND1 3.36Å; H134-H176 PolarHBondContact NE2-ND1 2.85Å; H134-H176 PolarHBondContact O-N 3.44Å; H176-S178 PolarHBondContact O-N 3.43Å |
| 177 | C | 96.2 | Very high | 95.6 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.014 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 110.6 | 180 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | R132 F175 D179 L180 G181 I182 | R132-C177 CarbonylContact O-C 3.55Å; R132-C177 WeakPolarHBondContact O-CA 3.34Å; F175-C177 PolarHBondContact O-N 3.39Å; C177-D179 VanDerWaalsContact C-N 3.32Å; C177-D179 PolarHBondContact O-N 3.43Å; C177-L180 HydrophobicContact CB-CB 4.07Å; C177-L180 HydrophobicContact CB-CD1 4.43Å; C177-L180 PolarHBondContact O-N 3.12Å; C177-G181 WeakPolarHBondContact O-CA 3.34Å; C177-G181 PolarHBondContact O-N 3.49Å; C177-I182 HydrophobicContact CB-CG1 4.49Å; C177-I182 WeakPolarHBondContact CB-O 3.47Å; C177-I182 PolarHBondContact N-O 3.31Å |
| 178 | S | 94.6 | Very high | 96 | Very high | 51 Ų | 51 | 22.4 Ų | 22.4 | 36% | 0.357 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -41.5 | 178.8 | -57 | 0 | 0 | 0 | 0 | 112.3 | R132 G133 H176 L180 E209 | R132-S178 PolarHBondContact O-N 3.41Å; G133-S178 WeakPolarHBondContact CA-OG 3.3Å; H176-S178 PolarHBondContact O-N 3.43Å; S178-L180 PolarHBondContact O-N 3.48Å; S178-E209 WeakPolarHBondContact CB-OE1 3.17Å; S178-E209 PolarHBondContact OG-OE1 2.98Å |
| 179 | D | 89.8 | Confident | 96.1 | Very high | 109 Ų | 109 | 22.5 Ų | 22.5 | 58% | 0.583 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -31.2 | -176.2 | -60.7 | -37.3 | 0 | 0 | 0 | 113.2 | C177 | C177-D179 VanDerWaalsContact C-N 3.32Å; C177-D179 PolarHBondContact O-N 3.43Å |
| 180 | L | 90.7 | Very high | 96.1 | Very high | 54 Ų | 54 | 23 Ų | 23 | 28% | 0.283 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | -16.4 | -173.8 | -64.4 | 172.2 | 0 | 0 | 0 | 112.9 | L114 P116 C177 S178 I182 | L114-L180 HydrophobicContact CB-CD1 4.15Å; L114-L180 HydrophobicContact CD2-CD1 3.91Å; L114-L180 HydrophobicContact CG-CD1 4.21Å; P116-L180 HydrophobicContact CB-CD2 4.12Å; C177-L180 HydrophobicContact CB-CB 4.07Å; C177-L180 HydrophobicContact CB-CD1 4.43Å; C177-L180 PolarHBondContact O-N 3.12Å; S178-L180 PolarHBondContact O-N 3.48Å; L180-I182 HydrophobicContact CB-CD1 4.25Å; L180-I182 HydrophobicContact CB-CG1 3.79Å; L180-I182 HydrophobicContact CD1-CD1 4.13Å; L180-I182 HydrophobicContact CD1-CG1 4.33Å; L180-I182 PolarHBondContact O-N 3.15Å |
| 181 | G | 92.9 | Very high | 96 | Very high | 55 Ų | 55 | 22.4 Ų | 22.4 | 57% | 0.567 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 17.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C177 | C177-G181 WeakPolarHBondContact O-CA 3.34Å; C177-G181 PolarHBondContact O-N 3.49Å |
| 182 | I | 94.3 | Very high | 95.9 | Very high | 48 Ų | 48 | 24 Ų | 24 | 25% | 0.246 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 152.5 | -180 | 67.2 | 175.7 | 0 | 0 | 0 | 110.9 | C177 L180 I184 I253 | C177-I182 HydrophobicContact CB-CG1 4.49Å; C177-I182 WeakPolarHBondContact CB-O 3.47Å; C177-I182 PolarHBondContact N-O 3.31Å; L180-I182 HydrophobicContact CB-CD1 4.25Å; L180-I182 HydrophobicContact CB-CG1 3.79Å; L180-I182 HydrophobicContact CD1-CD1 4.13Å; L180-I182 HydrophobicContact CD1-CG1 4.33Å; L180-I182 PolarHBondContact O-N 3.15Å; I182-I184 HydrophobicContact CD1-CG2 3.9Å; I182-I184 HydrophobicContact CG1-CG2 4.03Å; I182-I253 HydrophobicContact CD1-CD1 4.3Å |
| 183 | K | 95.8 | Very high | 95.7 | Very high | 54 Ų | 54 | 31.1 Ų | 31.1 | 24% | 0.235 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 129.8 | 170.1 | -171.7 | -176.5 | -65.5 | -163.1 | 0 | 109.2 | D136 P174 F175 A250 A251 | D136-K183 IonicContact OD2-NZ 3.09Å; D136-K183 PolarHBondContact OD2-NZ 3.02Å; D136-K183 VanDerWaalsContact OD2-NZ 3.09Å; P174-K183 HydrophobicContact CB-CD 3.77Å; P174-K183 HydrophobicContact CB-CG 3.98Å; F175-K183 CarbonylContact O-C 3.57Å; F175-K183 WeakPolarHBondContact O-CA 3.49Å; K183-A250 HydrophobicContact CB-CB 4.44Å; K183-A250 HydrophobicContact CD-CB 4.28Å; K183-A250 HydrophobicContact CG-CB 4Å; K183-A250 CarbonylContact O-C 3.52Å; K183-A250 WeakPolarHBondContact O-CA 3.5Å; K183-A251 PolarHBondContact O-N 2.85Å |
| 184 | I | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 174.8 | 175.8 | 67.7 | 171.9 | 0 | 0 | 0 | 110.6 | L114 V131 P174 F175 I182 V186 I253 I255 | L114-I184 HydrophobicContact CD2-CD1 3.84Å; L114-I184 HydrophobicContact CD2-CG2 4.29Å; V131-I184 HydrophobicContact CG1-CD1 4.23Å; V131-I184 HydrophobicContact CG2-CD1 4.36Å; P174-I184 CarbonylContact C-O 3.55Å; P174-I184 VanDerWaalsContact CA-O 3.28Å; P174-I184 WeakPolarHBondContact CA-O 3.47Å; F175-I184 HydrophobicContact CB-CG1 4.22Å; F175-I184 HydrophobicContact CD1-CG1 4.44Å; F175-I184 PolarHBondContact N-O 3.2Å; F175-I184 PolarHBondContact O-N 3.49Å; I182-I184 HydrophobicContact CD1-CG2 3.9Å; I182-I184 HydrophobicContact CG1-CG2 4.03Å; I184-V186 HydrophobicContact CD1-CG2 4.4Å; I184-V186 HydrophobicContact CG1-CG2 4.36Å; I184-I253 HydrophobicContact CB-CB 4.28Å; I184-I253 HydrophobicContact CB-CG2 4.27Å; I184-I253 HydrophobicContact CG2-CB 4.03Å; I184-I253 HydrophobicContact CG2-CD1 4.35Å; I184-I253 HydrophobicContact CG2-CG2 4.09Å; I184-I255 HydrophobicContact CD1-CD1 4.28Å; I184-I255 HydrophobicContact CD1-CG1 4.44Å |
| 185 | L | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 132.1 | 172.8 | -60.3 | 169.5 | 0 | 0 | 0 | 110.6 | I172 P174 L241 M244 T248 A250 I253 L254 I255 | I172-L185 HydrophobicContact CG2-CB 4.01Å; I172-L185 HydrophobicContact CG2-CD2 4.07Å; P174-L185 HydrophobicContact CG-CD2 4.3Å; L185-L241 HydrophobicContact CD1-CD2 4.21Å; L185-M244 HydrophobicContact CD1-CB 3.63Å; L185-M244 HydrophobicContact CD1-SD 4.43Å; L185-T248 HydrophobicContact CD2-CG2 4.34Å; L185-A250 HydrophobicContact CD2-CB 3.9Å; L185-A250 HydrophobicContact CG-CB 3.99Å; L185-I253 WeakPolarHBondContact CB-O 3.34Å; L185-I253 PolarHBondContact N-O 3.43Å; L185-L254 HydrophobicContact CB-CB 4.12Å; L185-L254 HydrophobicContact CB-CD1 3.99Å; L185-L254 HydrophobicContact CB-CG 4.23Å; L185-L254 VanDerWaalsContact O-CA 3.25Å; L185-L254 WeakPolarHBondContact O-CA 3.43Å; L185-I255 PolarHBondContact O-N 3.34Å; L185-I255 VanDerWaalsContact O-N 3.09Å |
| 186 | V | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 116.8 | 173.3 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | Y135 I172 T173 F175 I184 R188 V212 I255 A257 | Y135-V186 HydrophobicContact CE1-CB 3.98Å; Y135-V186 HydrophobicContact CE1-CG1 3.93Å; Y135-V186 HydrophobicContact CE1-CG2 4.4Å; I172-V186 CarbonylContact C-O 3.5Å; I172-V186 WeakPolarHBondContact CA-O 3.39Å; T173-V186 PolarHBondContact N-O 2.86Å; T173-V186 PolarHBondContact O-N 2.96Å; F175-V186 HydrophobicContact CB-CB 4.31Å; F175-V186 HydrophobicContact CB-CG2 3.39Å; F175-V186 HydrophobicContact CD1-CG2 4.28Å; F175-V186 HydrophobicContact CD2-CG2 4.42Å; F175-V186 HydrophobicContact CG-CG2 3.81Å; I184-V186 HydrophobicContact CD1-CG2 4.4Å; I184-V186 HydrophobicContact CG1-CG2 4.36Å; V186-R188 HydrophobicContact CG1-CG 4.22Å; V186-R188 PolarHBondContact O-N 3.48Å; V186-V212 HydrophobicContact CG1-CG1 4.05Å; V186-I255 WeakPolarHBondContact CA-O 3.48Å; V186-I255 HydrophobicContact CB-CG1 4.29Å; V186-I255 HydrophobicContact CG1-CG1 4.18Å; V186-I255 HydrophobicContact CG2-CD1 3.96Å; V186-I255 HydrophobicContact CG2-CG1 3.76Å; V186-A257 HydrophobicContact CG1-CB 4.3Å |
| 187 | N | 97.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 101.6 | 165.3 | 174.7 | 13.6 | 0 | 0 | 0 | 108.2 | I172 G189 L254 I255 D256 A257 | I172-N187 HydrophobicContact CD1-CB 4.37Å; I172-N187 HydrophobicContact CG1-CB 4.07Å; N187-G189 PolarHBondContact O-N 3.24Å; N187-G189 WeakPolarHBondContact OD1-CA 3.46Å; N187-G189 PolarHBondContact OD1-N 2.85Å; N187-L254 HydrophobicContact CB-CD2 4.28Å; N187-I255 PolarHBondContact N-O 2.97Å; N187-D256 VanDerWaalsContact CB-OD1 3.23Å; N187-D256 WeakPolarHBondContact CB-OD1 3.44Å; N187-D256 PolarHBondContact ND2-OD1 3.33Å; N187-A257 WeakPolarHBondContact O-CB 3.43Å; N187-A257 PolarHBondContact O-N 2.84Å |
| 188 | R | 96.9 | Very high | 94.8 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | -15.7 | -179.9 | -60.3 | 178.6 | 62.8 | -160.4 | 1.1 | 112.5 | Y135 H137 E140 V171 T173 V186 G204 P267 V268 G269 | Y135-R188 HydrophobicContact CD1-CG 4.42Å; Y135-R188 HydrophobicContact CE1-CG 3.71Å; H137-R188 PolarHBondContact CE1-NH1 2.7Å; E140-R188 IonicContact OE1-NH1 3.5Å; E140-R188 PolarHBondContact OE1-NH1 3.34Å; V171-R188 PolarHBondContact O-N 2.95Å; T173-R188 WeakPolarHBondContact OG1-CD 3.43Å; V186-R188 HydrophobicContact CG1-CG 4.22Å; V186-R188 PolarHBondContact O-N 3.48Å; R188-G204 PolarHBondContact NH2-O 3.43Å; R188-P267 HydrophobicContact CB-CB 3.88Å; R188-P267 HydrophobicContact CB-CG 3.99Å; R188-V268 CarbonylContact O-C 3.26Å; R188-G269 WeakPolarHBondContact O-CA 3.33Å; R188-G269 PolarHBondContact O-N 3.43Å |
| 189 | G | 95.8 | Very high | 94.8 | Very high | 2 Ų | 2 | 54.3 Ų | 54.3 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 107 | -155.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N170 V171 N187 V268 | N170-G189 CarbonylContact C-O 3.56Å; N170-G189 VanDerWaalsContact CA-O 3.25Å; N170-G189 WeakPolarHBondContact CA-O 3.47Å; V171-G189 PolarHBondContact N-O 2.82Å; N187-G189 PolarHBondContact O-N 3.24Å; N187-G189 WeakPolarHBondContact OD1-CA 3.46Å; N187-G189 PolarHBondContact OD1-N 2.85Å; G189-V268 CarbonylContact C-O 3.57Å; G189-V268 WeakPolarHBondContact CA-O 3.39Å |
| 190 | Y | 96.1 | Very high | 95 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 141.1 | -162.6 | 171.6 | -94.8 | 0 | 0 | 0 | 112.9 | P148 E166 A169 P192 P267 V268 | P148-Y190 HydrophobicContact CB-CD1 3.79Å; P148-Y190 HydrophobicContact CB-CD2 4.45Å; P148-Y190 HydrophobicContact CB-CE1 3.74Å; P148-Y190 HydrophobicContact CB-CE2 4.41Å; P148-Y190 HydrophobicContact CB-CG 4.15Å; P148-Y190 HydrophobicContact CG-CE1 3.99Å; P148-Y190 HydrophobicContact CG-CE2 4.48Å; E166-Y190 WeakPolarHBondContact CB-OH 3.31Å; E166-Y190 PolarHBondContact O-OH 3.4Å; A169-Y190 CarbonylContact O-C 3.53Å; A169-Y190 WeakPolarHBondContact O-CA 3.47Å; Y190-P192 HydrophobicContact CE1-CB 4.42Å; Y190-P267 WeakPolarHBondContact O-CA 3.45Å; Y190-V268 PolarHBondContact N-O 3.04Å; Y190-V268 PolarHBondContact O-N 2.93Å |
| 191 | V | 95.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 141.3 | 164.1 | -66 | 0 | 0 | 0 | 0 | 110.3 | G168 A169 V171 K195 I196 P267 | G168-V191 CarbonylContact C-O 3.56Å; G168-V191 WeakPolarHBondContact CA-O 3.06Å; A169-V191 HydrophobicContact CB-CG2 4.36Å; A169-V191 PolarHBondContact N-O 3.4Å; A169-V191 PolarHBondContact O-N 3.01Å; V171-V191 HydrophobicContact CG2-CB 4.44Å; V171-V191 HydrophobicContact CG2-CG1 3.95Å; V171-V191 HydrophobicContact CG2-CG2 3.6Å; V191-K195 HydrophobicContact CB-CB 4.16Å; V191-I196 HydrophobicContact CG2-CG1 4.02Å; V191-P267 HydrophobicContact CG1-CB 3.76Å; V191-P267 HydrophobicContact CG1-CG 3.76Å |
| 192 | P | 94.9 | Very high | 95.1 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 22% | 0.221 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 159.8 | 171.2 | 29 | -35.5 | 0 | 0 | 0 | 110.9 | Y190 Q194 K195 I196 | Y190-P192 HydrophobicContact CE1-CB 4.42Å; P192-Q194 PolarHBondContact O-N 2.97Å; P192-K195 HydrophobicContact CG-CB 4Å; P192-K195 HydrophobicContact CG-CD 4.06Å; P192-K195 HydrophobicContact CG-CG 4.02Å; P192-K195 WeakPolarHBondContact O-CA 3.4Å; P192-K195 PolarHBondContact O-N 3.37Å; P192-I196 PolarHBondContact O-N 3.06Å |
| 193 | K | 93.6 | Very high | 95 | Very high | 149 Ų | 149 | 59.8 Ų | 59.8 | 65% | 0.648 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -49.9 | -37.1 | -176.6 | -173 | 177.4 | 178.7 | -176.1 | 0 | 113.9 | I167 K195 I196 | I167-K193 WeakPolarHBondContact O-CB 3.12Å; I167-K193 PolarHBondContact O-N 3.04Å; K193-K195 VanDerWaalsContact C-N 3.25Å; K193-K195 PolarHBondContact O-N 3.27Å; K193-I196 HydrophobicContact CG-CD1 4.43Å |
| 194 | Q | 93.4 | Very high | 94.7 | Very high | 149 Ų | 149 | 57.2 Ų | 57.2 | 70% | 0.696 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -71.8 | -18.7 | -179.5 | -60.3 | 78.1 | 6.6 | 0 | 0 | 113.1 | P192 T200 | P192-Q194 PolarHBondContact O-N 2.97Å; Q194-T200 PolarHBondContact O-OG1 3.25Å |
| 195 | K | 94.6 | Very high | 94.5 | Very high | 100 Ų | 100 | 58.3 Ų | 58.3 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -109.4 | 12.1 | -177.5 | -66.7 | -170.6 | 176 | -176.7 | 0 | 114.5 | V191 P192 K193 R197 T200 R201 | V191-K195 HydrophobicContact CB-CB 4.16Å; P192-K195 HydrophobicContact CG-CB 4Å; P192-K195 HydrophobicContact CG-CD 4.06Å; P192-K195 HydrophobicContact CG-CG 4.02Å; P192-K195 WeakPolarHBondContact O-CA 3.4Å; P192-K195 PolarHBondContact O-N 3.37Å; K193-K195 VanDerWaalsContact C-N 3.25Å; K193-K195 PolarHBondContact O-N 3.27Å; K195-R197 VanDerWaalsContact C-N 3.34Å; K195-T200 VanDerWaalsContact CA-OG1 3.29Å; K195-T200 WeakPolarHBondContact CA-OG1 3.41Å; K195-R201 WeakPolarHBondContact O-CD 3.39Å; K195-R201 PolarHBondContact O-NE 3.46Å; K195-R201 VanDerWaalsContact O-NE 3.13Å |
| 196 | I | 94.4 | Very high | 94.3 | Very high | 25 Ų | 25 | 60 Ų | 60 | 13% | 0.128 | 28% | 0.281 | C | S | . | . | trans | -62.4 | -45 | 177.8 | -67.4 | 176.2 | 0 | 0 | 0 | 110.1 | Y142 M144 A169 V191 P192 K193 R201 | Y142-I196 HydrophobicContact CD1-CG2 3.77Å; Y142-I196 HydrophobicContact CD2-CG2 4.46Å; Y142-I196 HydrophobicContact CE1-CG2 3.92Å; Y142-I196 WeakPolarHBondContact CE1-O 3.36Å; Y142-I196 HydrophobicContact CG-CG2 4.05Å; M144-I196 HydrophobicContact CE-CD1 3.65Å; A169-I196 HydrophobicContact CB-CD1 3.92Å; A169-I196 HydrophobicContact CB-CG1 3.94Å; V191-I196 HydrophobicContact CG2-CG1 4.02Å; P192-I196 PolarHBondContact O-N 3.06Å; K193-I196 HydrophobicContact CG-CD1 4.43Å; I196-R201 PolarHBondContact O-NH2 3.26Å | ||
| 197 | R | 93.4 | Very high | 94 | Very high | 171 Ų | 171 | 68.2 Ų | 68.2 | 65% | 0.645 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -68 | 132 | -177.9 | -65 | -173.4 | -176.2 | -173.3 | 0.3 | 111.6 | K195 E199 T200 | K195-R197 VanDerWaalsContact C-N 3.34Å; R197-E199 VanDerWaalsContact C-N 3.25Å; R197-E199 PolarHBondContact O-N 2.79Å; R197-T200 HydrophobicContact CB-CG2 4.18Å; R197-T200 PolarHBondContact O-N 3.29Å; R197-T200 VanDerWaalsContact O-N 3.09Å; R197-T200 PolarHBondContact O-OG1 3.36Å |
| 198 | P | 93.9 | Very high | 93.8 | Very high | 35 Ų | 35 | 73.9 Ų | 73.9 | 23% | 0.227 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -51.5 | -41.9 | 178.9 | -30 | 37.9 | 0 | 0 | 0 | 113.6 | Y142 T200 R201 | Y142-P198 WeakPolarHBondContact OH-CD 3.39Å; Y142-P198 WeakPolarHBondContact OH-CG 3.23Å; P198-T200 PolarHBondContact O-N 2.94Å; P198-R201 CarbonylContact O-C 3.46Å; P198-R201 WeakPolarHBondContact O-CG 3.12Å; P198-R201 PolarHBondContact O-N 3.31Å |
| 199 | E | 93.3 | Very high | 93.7 | Very high | 126 Ų | 126 | 78.1 Ų | 78.1 | 59% | 0.589 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -58.8 | -26 | -177.2 | -40.6 | 94.5 | -118.8 | 0 | 0 | 113.1 | R197 R201 M202 | R197-E199 VanDerWaalsContact C-N 3.25Å; R197-E199 PolarHBondContact O-N 2.79Å; E199-R201 VanDerWaalsContact C-N 3.3Å; E199-R201 PolarHBondContact O-N 3.06Å; E199-M202 WeakPolarHBondContact O-CG 3.47Å |
| 200 | T | 94 | Very high | 93.7 | Very high | 69 Ų | 69 | 79.6 Ų | 79.6 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -84.9 | -3.5 | -178.2 | 65.1 | 0 | 0 | 0 | 0 | 113.5 | Q194 K195 R197 P198 | Q194-T200 PolarHBondContact O-OG1 3.25Å; K195-T200 VanDerWaalsContact CA-OG1 3.29Å; K195-T200 WeakPolarHBondContact CA-OG1 3.41Å; R197-T200 HydrophobicContact CB-CG2 4.18Å; R197-T200 PolarHBondContact O-N 3.29Å; R197-T200 VanDerWaalsContact O-N 3.09Å; R197-T200 PolarHBondContact O-OG1 3.36Å; P198-T200 PolarHBondContact O-N 2.94Å |
| 201 | R | 94.1 | Very high | 93.8 | Very high | 7 Ų | 7 | 84.4 Ų | 84.4 | 3% | 0.026 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -141 | 38.8 | -176.1 | 57.8 | 171 | 159.9 | 88.7 | 5.9 | 113.2 | E140 Y142 K195 I196 P198 E199 K203 G204 Q205 G265 | E140-R201 IonicContact OE1-NH1 3.34Å; E140-R201 PolarHBondContact OE1-NH1 3.32Å; E140-R201 VanDerWaalsContact OE1-NH1 3.08Å; E140-R201 IonicContact OE2-CZ 2.87Å; E140-R201 IonicContact OE2-NH1 3.08Å; E140-R201 PolarHBondContact OE2-NH1 3.48Å; E140-R201 IonicContact OE2-NH2 2.98Å; E140-R201 PolarHBondContact OE2-NH2 3.03Å; Y142-R201 PolarHBondContact OH-NH2 3.17Å; K195-R201 WeakPolarHBondContact O-CD 3.39Å; K195-R201 PolarHBondContact O-NE 3.46Å; K195-R201 VanDerWaalsContact O-NE 3.13Å; I196-R201 PolarHBondContact O-NH2 3.26Å; P198-R201 CarbonylContact O-C 3.46Å; P198-R201 WeakPolarHBondContact O-CG 3.12Å; P198-R201 PolarHBondContact O-N 3.31Å; E199-R201 VanDerWaalsContact C-N 3.3Å; E199-R201 PolarHBondContact O-N 3.06Å; R201-K203 PolarHBondContact O-N 3.02Å; R201-K203 VanDerWaalsContact O-N 3.1Å; R201-G204 PolarHBondContact O-N 2.78Å; R201-Q205 VanDerWaalsContact NH1-CD 3.3Å; R201-Q205 VanDerWaalsContact NH1-OE1 3.09Å; R201-G265 WeakPolarHBondContact CB-O 3.44Å |
| 202 | M | 92.9 | Very high | 93.8 | Very high | 125 Ų | 125 | 84.3 Ų | 84.3 | 62% | 0.616 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -51.2 | -36.4 | -177.6 | -66.2 | -56.6 | -62.3 | 0 | 0 | 114.4 | E199 G204 Q205 | E199-M202 WeakPolarHBondContact O-CG 3.47Å; M202-G204 PolarHBondContact O-N 2.92Å; M202-G204 VanDerWaalsContact O-N 3.17Å; M202-Q205 PolarHBondContact O-N 2.91Å |
| 203 | K | 91.4 | Very high | 93.9 | Very high | 180 Ų | 180 | 83.6 Ų | 83.6 | 78% | 0.783 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -60 | -26.9 | 176.9 | -66.3 | -171.2 | 177.8 | -174.5 | 0 | 113.6 | R201 | R201-K203 PolarHBondContact O-N 3.02Å; R201-K203 VanDerWaalsContact O-N 3.1Å |
| 204 | G | 89.6 | Confident | 94 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -84.3 | -11.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | R188 R201 M202 V206 | R188-G204 PolarHBondContact NH2-O 3.43Å; R201-G204 PolarHBondContact O-N 2.78Å; M202-G204 PolarHBondContact O-N 2.92Å; M202-G204 VanDerWaalsContact O-N 3.17Å; G204-V206 VanDerWaalsContact C-N 3.32Å; G204-V206 PolarHBondContact O-N 2.84Å; G204-V206 VanDerWaalsContact O-N 3.16Å |
| 205 | Q | 92.7 | Very high | 94.2 | Very high | 23 Ų | 23 | 70.2 Ų | 70.2 | 11% | 0.107 | 34% | 0.337 | C | S | . | . | trans | -90.9 | 68.4 | -176.9 | -55.8 | -59.1 | 65.1 | 0 | 0 | 109.9 | H137 E140 R201 M202 | H137-Q205 PolarHBondContact CE1-OE1 2.77Å; H137-Q205 VanDerWaalsContact CE1-OE1 3.3Å; H137-Q205 PolarHBondContact ND1-OE1 2.96Å; H137-Q205 WeakPolarHBondContact NE2-CA 3.49Å; E140-Q205 PolarHBondContact OE1-NE2 2.87Å; E140-Q205 PolarHBondContact OE1-OE1 2.96Å; E140-Q205 PolarHBondContact OE2-NE2 3.26Å; R201-Q205 VanDerWaalsContact NH1-CD 3.3Å; R201-Q205 VanDerWaalsContact NH1-OE1 3.09Å; M202-Q205 PolarHBondContact O-N 2.91Å | ||
| 206 | V | 93.9 | Very high | 94.2 | Very high | 35 Ų | 35 | 65.5 Ų | 65.5 | 21% | 0.212 | 32% | 0.317 | C | S | . | . | trans | -76 | 137.7 | -179.7 | -58 | 0 | 0 | 0 | 0 | 110.6 | Y135 H137 G204 V210 I263 | Y135-V206 HydrophobicContact CD2-CG2 4.32Å; H137-V206 PolarHBondContact CD2-O 2.58Å; H137-V206 PolarHBondContact NE2-N 3.23Å; H137-V206 PolarHBondContact NE2-O 2.77Å; G204-V206 VanDerWaalsContact C-N 3.32Å; G204-V206 PolarHBondContact O-N 2.84Å; G204-V206 VanDerWaalsContact O-N 3.16Å; V206-V210 HydrophobicContact CG2-CG1 3.93Å; V206-I263 HydrophobicContact CB-CD1 4.36Å; V206-I263 HydrophobicContact CG1-CD1 4.11Å; V206-I263 HydrophobicContact CG1-CG2 3.75Å; V206-I263 HydrophobicContact CG2-CD1 3.35Å | ||
| 207 | E | 92.3 | Very high | 94.3 | Very high | 173 Ų | 173 | 65.8 Ų | 65.8 | 81% | 0.808 | 32% | 0.316 | S | S | * | . | trans | -98.9 | -15.9 | 178.3 | -62.4 | -178.3 | 177.2 | 0 | 0 | 112.3 | ||||
| 208 | D | 92.9 | Very high | 94.4 | Very high | 126 Ų | 126 | 59.5 Ų | 59.5 | 67% | 0.674 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -69.7 | 161.4 | -179.7 | -60.1 | -54.1 | 0 | 0 | 0 | 112.9 | V210 | D208-V210 PolarHBondContact O-N 2.91Š|
| 209 | E | 95.1 | Very high | 94.4 | Very high | 97 Ų | 97 | 61.4 Ų | 61.4 | 45% | 0.453 | 31% | 0.306 | S | S | . | . | trans | -66.1 | 130.1 | 170.5 | -170.9 | 176.1 | -113.6 | 0 | 0 | 110.5 | R132 G133 S178 | R132-E209 IonicContact CZ-OE2 3.68Å; R132-E209 IonicContact NE-OE2 3.75Å; R132-E209 IonicContact NH2-OE1 3.98Å; R132-E209 IonicContact NH2-OE2 2.77Å; R132-E209 PolarHBondContact NH2-OE2 3.03Å; G133-E209 CarbonylContact O-C 3.57Å; G133-E209 WeakPolarHBondContact O-CA 2.88Å; S178-E209 WeakPolarHBondContact CB-OE1 3.17Å; S178-E209 PolarHBondContact OG-OE1 2.98Å | ||
| 210 | V | 96.3 | Very high | 94.4 | Very high | 34 Ų | 34 | 58.1 Ų | 58.1 | 21% | 0.206 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 152.1 | 179.3 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | R132 G133 Y135 F175 V206 D208 V212 | R132-V210 WeakPolarHBondContact CA-O 3.49Å; G133-V210 PolarHBondContact N-O 3.41Å; G133-V210 VanDerWaalsContact N-O 3.08Å; G133-V210 PolarHBondContact O-N 3.14Å; Y135-V210 HydrophobicContact CD2-CG2 4.12Å; Y135-V210 HydrophobicContact CE2-CG2 3.67Å; F175-V210 HydrophobicContact CE2-CG2 3.78Å; F175-V210 HydrophobicContact CZ-CG2 4.26Å; V206-V210 HydrophobicContact CG2-CG1 3.93Å; D208-V210 PolarHBondContact O-N 2.91Å; V210-V212 HydrophobicContact CG2-CG2 4.05Å |
| 211 | E | 96.8 | Very high | 94.3 | Very high | 112 Ų | 112 | 61.1 Ų | 61.1 | 52% | 0.523 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 125.9 | 167.5 | -171.5 | 176.6 | 78.8 | 0 | 0 | 109.8 | V131 R132 | V131-E211 WeakPolarHBondContact O-CA 3.39Å; R132-E211 HydrophobicContact CG-CB 3.91Å; R132-E211 HydrophobicContact CG-CG 3.88Å |
| 212 | V | 96.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 120.7 | 177.5 | -174.4 | 0 | 0 | 0 | 0 | 108.9 | K130 V131 Y135 F175 V186 V210 I255 A257 | K130-V212 WeakPolarHBondContact CA-O 3.48Å; V131-V212 HydrophobicContact CG2-CB 3.97Å; V131-V212 PolarHBondContact N-O 3.45Å; V131-V212 PolarHBondContact O-N 3.31Å; Y135-V212 HydrophobicContact CE2-CG2 4.48Å; Y135-V212 VanDerWaalsContact OH-CG2 3.25Å; Y135-V212 WeakPolarHBondContact OH-CG2 3.45Å; F175-V212 HydrophobicContact CE2-CG2 3.91Å; F175-V212 HydrophobicContact CZ-CG2 3.91Å; V186-V212 HydrophobicContact CG1-CG1 4.05Å; V210-V212 HydrophobicContact CG2-CG2 4.05Å; V212-I255 HydrophobicContact CB-CD1 4.46Å; V212-I255 HydrophobicContact CG1-CD1 3.95Å; V212-A257 HydrophobicContact CG1-CB 4.09Å |
| 213 | V | 97.4 | Very high | 94.2 | Very high | 18 Ų | 18 | 67.5 Ų | 67.5 | 11% | 0.109 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 130.1 | 167.1 | 179.9 | 0 | 0 | 0 | 0 | 107.5 | P111 V129 K130 D258 S261 | P111-V213 HydrophobicContact CB-CG1 4Å; P111-V213 HydrophobicContact CG-CG1 3.54Å; P111-V213 HydrophobicContact CG-CG2 4.41Å; V129-V213 WeakPolarHBondContact O-CA 3.28Å; K130-V213 HydrophobicContact CB-CG2 4.21Å; V213-D258 VanDerWaalsContact CG1-OD2 3.31Å; V213-D258 WeakPolarHBondContact CG1-OD2 3.44Å; V213-D258 PolarHBondContact O-N 3.08Å; V213-S261 PolarHBondContact N-OG 2.93Å; V213-S261 PolarHBondContact O-OG 2.77Å |
| 214 | G | 95.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 174 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R128 V129 D256 | R128-G214 CarbonylContact C-O 3.44Å; R128-G214 VanDerWaalsContact CA-O 3.3Å; R128-G214 WeakPolarHBondContact CA-O 3.47Å; V129-G214 PolarHBondContact N-O 2.98Å; V129-G214 PolarHBondContact O-N 2.93Å; G214-D256 CarbonylContact C-O 3.56Å; G214-D256 WeakPolarHBondContact CA-O 3.41Å |
| 215 | V | 95.8 | Very high | 94.2 | Very high | 16 Ų | 16 | 73.7 Ų | 73.7 | 10% | 0.097 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 128.9 | 174.2 | -106.9 | 0 | 0 | 0 | 0 | 109.5 | T107 Y126 R128 R217 I255 D256 T272 | T107-V215 HydrophobicContact CG2-CG1 4.26Å; Y126-V215 VanDerWaalsContact O-CG1 3.22Å; Y126-V215 WeakPolarHBondContact O-CG1 3.41Å; R128-V215 HydrophobicContact CG-CG1 3.88Å; V215-R217 PolarHBondContact O-N 3.28Å; V215-I255 WeakPolarHBondContact O-CA 3.34Å; V215-D256 HydrophobicContact CG2-CB 4.1Å; V215-D256 PolarHBondContact N-O 3.49Å; V215-D256 PolarHBondContact O-N 3.36Å; V215-T272 HydrophobicContact CG2-CG2 4.48Å |
| 216 | V | 96.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 74.5 Ų | 74.5 | 1% | 0.006 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 132.6 | 175 | 173.7 | 0 | 0 | 0 | 0 | 109.2 | L114 V121 L124 Y126 R127 V129 L218 I255 | L114-V216 HydrophobicContact CD1-CG2 4.43Å; V121-V216 HydrophobicContact CG1-CG1 3.61Å; V121-V216 HydrophobicContact CG1-CG2 4.29Å; L124-V216 HydrophobicContact CB-CG2 4.36Å; L124-V216 WeakPolarHBondContact O-CB 3.49Å; Y126-V216 PolarHBondContact N-O 3.2Å; R127-V216 PolarHBondContact O-N 2.87Å; V129-V216 HydrophobicContact CB-CG2 4.34Å; V129-V216 HydrophobicContact CG1-CG2 3.63Å; V129-V216 HydrophobicContact CG2-CG2 3.71Å; V216-L218 HydrophobicContact CG1-CD2 4.39Å; V216-I255 HydrophobicContact CG2-CG2 4.29Å |
| 217 | R | 95.6 | Very high | 94.1 | Very high | 31 Ų | 31 | 76.4 Ų | 76.4 | 12% | 0.117 | 39% | 0.388 | C | S | . | . | trans | -133.8 | 136.7 | 176 | -62.6 | -63.4 | -50 | -77.3 | 2.1 | 110.2 | E125 Y126 V215 R239 L254 D256 | E125-R217 IonicContact OE1-NE 3.37Å; Y126-R217 PolarHBondContact OH-NH2 3.33Å; V215-R217 PolarHBondContact O-N 3.28Å; R217-R239 PolarHBondContact O-NH1 3.48Å; R217-L254 HydrophobicContact CB-CD2 4.07Å; R217-L254 PolarHBondContact N-O 3.08Å; R217-D256 HydrophobicContact CG-CB 4.26Å; R217-D256 WeakPolarHBondContact CG-OD2 3.31Å; R217-D256 IonicContact NH1-OD2 2.93Å | ||
| 218 | L | 94.8 | Very high | 94.3 | Very high | 39 Ų | 39 | 73 Ų | 73 | 20% | 0.204 | 38% | 0.375 | C | S | . | . | P | Polyproline II helix | trans | -91.7 | 163.6 | -176.6 | -52.3 | -176.8 | 0 | 0 | 0 | 113 | E125 V216 E220 R239 | E125-L218 HydrophobicContact CB-CD1 3.96Å; E125-L218 HydrophobicContact CB-CG 3.89Å; E125-L218 HydrophobicContact CG-CD1 4.25Å; E125-L218 HydrophobicContact CG-CG 3.86Å; V216-L218 HydrophobicContact CG1-CD2 4.39Å; L218-E220 PolarHBondContact O-N 3.47Å; L218-R239 VanDerWaalsContact C-NH1 3.33Å; L218-R239 PolarHBondContact O-NH1 3.1Å; L218-R239 PolarHBondContact O-NH2 3.23Å; L218-R239 VanDerWaalsContact O-NH2 3.12Å |
| 219 | T | 95.2 | Very high | 94.4 | Very high | 75 Ų | 75 | 68 Ų | 68 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -50.6 | 137.2 | 177 | -162.4 | 0 | 0 | 0 | 0 | 112.1 | R239 L241 | T219-R239 PolarHBondContact OG1-O 2.96Å; T219-L241 PolarHBondContact OG1-N 2.75Å |
| 220 | E | 92.7 | Very high | 94.5 | Very high | 58 Ų | 58 | 65.3 Ų | 65.3 | 27% | 0.271 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 127.6 | -178.7 | -73.8 | 174.7 | -169.8 | 0 | 0 | 110.3 | R146 L218 R222 R239 | R146-E220 IonicContact NH2-OE2 2.76Å; L218-E220 PolarHBondContact O-N 3.47Å; E220-R222 PolarHBondContact O-N 3.22Å; E220-R239 HydrophobicContact CB-CB 4.32Å; E220-R239 HydrophobicContact CG-CB 4.01Å; E220-R239 PolarHBondContact N-O 3.17Å; E220-R239 IonicContact OE1-CZ 3.83Å; E220-R239 IonicContact OE1-NE 3.18Å; E220-R239 PolarHBondContact OE1-NE 2.93Å; E220-R239 IonicContact OE1-NH2 3.63Å; E220-R239 PolarHBondContact OE1-NH2 3.04Å; E220-R239 PolarHBondContact OE2-N 2.93Å |
| 221 | T | 92 | Very high | 94.4 | Very high | 131 Ų | 131 | 68.1 Ų | 68.1 | 80% | 0.804 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -68.7 | 122.6 | 166.6 | -48.5 | 0 | 0 | 0 | 0 | 109.5 | K223 | T221-K223 PolarHBondContact O-N 2.79Š|
| 222 | R | 93.3 | Very high | 94.3 | Very high | 113 Ų | 113 | 71.8 Ų | 71.8 | 43% | 0.426 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 125 | 175.8 | -178 | -177.8 | 164.6 | -125.1 | -3.9 | 110.5 | E220 V226 N228 Y238 | E220-R222 PolarHBondContact O-N 3.22Å; R222-V226 HydrophobicContact CG-CB 4.36Å; R222-V226 PolarHBondContact NE-O 3.33Å; R222-V226 PolarHBondContact NH2-O 3.43Å; R222-N228 PolarHBondContact NE-OD1 3.13Å; R222-N228 PolarHBondContact NH1-OD1 2.84Å; R222-Y238 HydrophobicContact CB-CD1 4.32Å; R222-Y238 HydrophobicContact CB-CD2 4.32Å; R222-Y238 HydrophobicContact CB-CE1 4.05Å; R222-Y238 HydrophobicContact CB-CE2 4.03Å; R222-Y238 HydrophobicContact CB-CG 4.46Å; R222-Y238 HydrophobicContact CG-CD1 4.1Å; R222-Y238 HydrophobicContact CG-CE1 3.79Å |
| 223 | K | 90.9 | Very high | 94.2 | Very high | 153 Ų | 153 | 78 Ų | 78 | 67% | 0.665 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -79.4 | 152.6 | 175.8 | -63.3 | -178.6 | -179.5 | 174.8 | 0 | 110.9 | T221 F225 V226 | T221-K223 PolarHBondContact O-N 2.79Å; K223-F225 PolarHBondContact O-N 3.42Å; K223-V226 HydrophobicContact CB-CG2 3.91Å; K223-V226 PolarHBondContact O-N 3.29Å |
| 224 | P | 90.7 | Very high | 94.1 | Very high | 106 Ų | 106 | 79.3 Ų | 79.3 | 69% | 0.688 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 141.1 | 167.7 | -24.8 | 34.6 | 0 | 0 | 0 | 110.6 | V226 | P224-V226 PolarHBondContact O-N 3.42Š|
| 225 | F | 90.4 | Very high | 94.1 | Very high | 205 Ų | 205 | 84.7 Ų | 84.7 | 90% | 0.899 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | 3.3 | -179.6 | -44 | -75.9 | 0 | 0 | 0 | 116.9 | K223 | K223-F225 PolarHBondContact O-N 3.42Š|
| 226 | V | 91.6 | Very high | 94.1 | Very high | 40 Ų | 40 | 83.9 Ų | 83.9 | 24% | 0.242 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 130.9 | 164.9 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | R222 K223 P224 H237 Y238 | R222-V226 HydrophobicContact CG-CB 4.36Å; R222-V226 PolarHBondContact NE-O 3.33Å; R222-V226 PolarHBondContact NH2-O 3.43Å; K223-V226 HydrophobicContact CB-CG2 3.91Å; K223-V226 PolarHBondContact O-N 3.29Å; P224-V226 PolarHBondContact O-N 3.42Å; V226-H237 HydrophobicContact CG1-CB 3.85Å; V226-Y238 HydrophobicContact CG1-CD1 4.04Å |
| 227 | P | 94.1 | Very high | 94.1 | Very high | 75 Ų | 75 | 86.1 Ų | 86.1 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 161.3 | 175.5 | -19.1 | 31 | 0 | 0 | 0 | 112.4 | ||
| 228 | N | 95.2 | Very high | 94 | Very high | 100 Ų | 100 | 86.2 Ų | 86.2 | 54% | 0.535 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 151.6 | 171.8 | -70.6 | -29.2 | 0 | 0 | 0 | 110.3 | R222 H237 | R222-N228 PolarHBondContact NE-OD1 3.13Å; R222-N228 PolarHBondContact NH1-OD1 2.84Å; N228-H237 PolarHBondContact O-CD2 3.35Å; N228-H237 VanDerWaalsContact O-CD2 3.29Å |
| 229 | N | 96.6 | Very high | 94.1 | Very high | 22 Ų | 22 | 84.6 Ų | 84.6 | 12% | 0.118 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 143.5 | 172.7 | -63.9 | -31.9 | 0 | 0 | 0 | 110 | W236 H237 Y238 | N229-W236 HydrophobicContact CB-CD2 4.33Å; N229-W236 HydrophobicContact CB-CE3 3.73Å; N229-W236 HydrophobicContact CB-CZ3 4.11Å; N229-W236 VanDerWaalsContact CG-CE3 3.49Å; N229-W236 VanDerWaalsContact ND2-CE3 3.31Å; N229-H237 PolarHBondContact OD1-N 3.45Å; N229-Y238 WeakPolarHBondContact ND2-CE2 3.27Å; N229-Y238 PolarHBondContact ND2-O 3.29Å; N229-Y238 WeakPolarHBondContact OD1-CD1 3.49Å; N229-Y238 WeakPolarHBondContact OD1-CE1 3.44Å; N229-Y238 PolarHBondContact OD1-N 3.19Å; N229-Y238 PolarHBondContact OD1-O 2.76Å |
| 230 | D | 96 | Very high | 94.2 | Very high | 41 Ų | 41 | 83 Ų | 83 | 22% | 0.219 | 41% | 0.405 | C | S | . | . | B | Isolated β-bridge | trans | -108.2 | 92.3 | 174.3 | -176.8 | -20.2 | 0 | 0 | 0 | 107.3 | K233 N234 R235 | D230-K233 WeakPolarHBondContact OD1-CB 3.48Å; D230-K233 WeakPolarHBondContact OD1-CG 3.46Å; D230-K233 PolarHBondContact OD1-N 3.34Å; D230-K233 WeakPolarHBondContact OD2-CD 3.11Å; D230-K233 WeakPolarHBondContact OD2-CG 3.47Å; D230-K233 IonicContact OD2-NZ 3.24Å; D230-K233 PolarHBondContact OD2-NZ 3.07Å; D230-N234 PolarHBondContact O-N 3.21Å; D230-N234 VanDerWaalsContact O-N 3.15Å; D230-R235 HydrophobicContact CB-CB 4.3Å; D230-R235 PolarHBondContact N-O 3.21Å; D230-R235 PolarHBondContact O-N 3.24Å |
| 231 | E | 94.6 | Very high | 94.3 | Very high | 93 Ų | 93 | 80.5 Ų | 80.5 | 44% | 0.435 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -41.3 | -176.4 | -66.7 | 178.1 | -153.9 | 0 | 0 | 111.4 | K233 N234 W236 I247 | E231-K233 PolarHBondContact O-N 2.74Å; E231-N234 PolarHBondContact O-N 2.93Å; E231-N234 VanDerWaalsContact O-N 3.12Å; E231-W236 HydrophobicContact CG-CH2 3.9Å; E231-W236 HydrophobicContact CG-CZ2 4.2Å; E231-I247 HydrophobicContact CB-CD1 3.86Å; E231-I247 HydrophobicContact CG-CD1 3.85Å |
| 232 | E | 93.6 | Very high | 94.5 | Very high | 188 Ų | 188 | 79.9 Ų | 79.9 | 88% | 0.879 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -42.2 | -179 | -63.7 | -177.7 | 174.9 | 0 | 0 | 112.3 | N234 | E232-N234 VanDerWaalsContact C-N 3.25Å; E232-N234 PolarHBondContact O-N 2.78Å |
| 233 | K | 94.8 | Very high | 94.6 | Very high | 133 Ų | 133 | 74.8 Ų | 74.8 | 58% | 0.578 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | 7.5 | 176.6 | -56.6 | -165.3 | -161.3 | 84.3 | 0 | 113.2 | D230 E231 R235 | D230-K233 WeakPolarHBondContact OD1-CB 3.48Å; D230-K233 WeakPolarHBondContact OD1-CG 3.46Å; D230-K233 PolarHBondContact OD1-N 3.34Å; D230-K233 WeakPolarHBondContact OD2-CD 3.11Å; D230-K233 WeakPolarHBondContact OD2-CG 3.47Å; D230-K233 IonicContact OD2-NZ 3.24Å; D230-K233 PolarHBondContact OD2-NZ 3.07Å; E231-K233 PolarHBondContact O-N 2.74Å; K233-R235 VanDerWaalsContact C-N 3.26Å; K233-R235 PolarHBondContact O-N 3.07Å |
| 234 | N | 95.6 | Very high | 94.9 | Very high | 44 Ų | 44 | 67.5 Ų | 67.5 | 24% | 0.235 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 47.1 | -177.6 | -169.7 | 16.4 | 0 | 0 | 0 | 113.1 | E140 L141 D230 E231 E232 W236 | E140-N234 PolarHBondContact O-ND2 2.75Å; L141-N234 WeakPolarHBondContact CA-OD1 3.27Å; L141-N234 VanDerWaalsContact CD2-OD1 3.23Å; L141-N234 WeakPolarHBondContact CD2-OD1 3.46Å; D230-N234 PolarHBondContact O-N 3.21Å; D230-N234 VanDerWaalsContact O-N 3.15Å; E231-N234 PolarHBondContact O-N 2.93Å; E231-N234 VanDerWaalsContact O-N 3.12Å; E232-N234 VanDerWaalsContact C-N 3.25Å; E232-N234 PolarHBondContact O-N 2.78Å; N234-W236 PolarHBondContact OD1-NE1 2.9Å |
| 235 | R | 95.6 | Very high | 95.2 | Very high | 114 Ų | 114 | 62.9 Ų | 62.9 | 43% | 0.43 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 104.5 | -176.8 | -172.1 | -171.8 | -43.9 | -133.4 | -4.1 | 109.7 | M144 D230 K233 | M144-R235 HydrophobicContact CG-CG 3.94Å; M144-R235 HydrophobicContact SD-CG 4.11Å; D230-R235 HydrophobicContact CB-CB 4.3Å; D230-R235 PolarHBondContact N-O 3.21Å; D230-R235 PolarHBondContact O-N 3.24Å; K233-R235 VanDerWaalsContact C-N 3.26Å; K233-R235 PolarHBondContact O-N 3.07Å |
| 236 | W | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 136.4 | -174.9 | -57.6 | 79.5 | 0 | 0 | 0 | 109.9 | L141 Y142 I143 M144 N229 E231 N234 D240 A243 M244 I247 | L141-W236 HydrophobicContact CD1-CZ2 4.28Å; L141-W236 HydrophobicContact CD2-CZ2 4.47Å; Y142-W236 WeakPolarHBondContact O-CB 3.43Å; Y142-W236 PolarHBondContact O-N 3.43Å; I143-W236 CarbonylContact C-O 3.57Å; I143-W236 VanDerWaalsContact CA-O 3.25Å; I143-W236 WeakPolarHBondContact CA-O 3.29Å; I143-W236 HydrophobicContact CB-CB 4.41Å; I143-W236 HydrophobicContact CG1-CB 3.85Å; M144-W236 PolarHBondContact N-O 3.13Å; M144-W236 VanDerWaalsContact O-O 3.05Å; N229-W236 HydrophobicContact CB-CD2 4.33Å; N229-W236 HydrophobicContact CB-CE3 3.73Å; N229-W236 HydrophobicContact CB-CZ3 4.11Å; N229-W236 VanDerWaalsContact CG-CE3 3.49Å; N229-W236 VanDerWaalsContact ND2-CE3 3.31Å; E231-W236 HydrophobicContact CG-CH2 3.9Å; E231-W236 HydrophobicContact CG-CZ2 4.2Å; N234-W236 PolarHBondContact OD1-NE1 2.9Å; W236-D240 HydrophobicContact CZ3-CB 4.35Å; W236-A243 HydrophobicContact CH2-CB 3.81Å; W236-A243 HydrophobicContact CZ3-CB 3.77Å; W236-M244 HydrophobicContact CB-CE 3.97Å; W236-M244 HydrophobicContact CD2-CE 3.51Å; W236-M244 HydrophobicContact CD2-CG 4.15Å; W236-M244 HydrophobicContact CE3-CE 3.38Å; W236-M244 HydrophobicContact CE3-CG 3.81Å; W236-M244 HydrophobicContact CE3-SD 4.5Å; W236-M244 HydrophobicContact CG-CE 3.76Å; W236-M244 HydrophobicContact CH2-CB 4.34Å; W236-M244 HydrophobicContact CH2-CG 3.62Å; W236-M244 HydrophobicContact CZ2-CG 3.94Å; W236-M244 HydrophobicContact CZ3-CE 4.09Å; W236-M244 HydrophobicContact CZ3-CG 3.54Å; W236-I247 HydrophobicContact CH2-CD1 3.74Å; W236-I247 HydrophobicContact CZ2-CD1 3.52Å |
| 237 | H | 95.4 | Very high | 95.6 | Very high | 47 Ų | 47 | 64.3 Ų | 64.3 | 22% | 0.218 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -103.9 | -27.5 | 177.2 | -66.3 | -54.8 | 0 | 0 | 0 | 112.4 | M144 V226 N228 N229 | M144-H237 PolarHBondContact O-ND1 3.34Å; V226-H237 HydrophobicContact CG1-CB 3.85Å; N228-H237 PolarHBondContact O-CD2 3.35Å; N228-H237 VanDerWaalsContact O-CD2 3.29Å; N229-H237 PolarHBondContact OD1-N 3.45Å |
| 238 | Y | 94.9 | Very high | 95.8 | Very high | 33 Ų | 33 | 60.9 Ų | 60.9 | 13% | 0.129 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -140.7 | 162.5 | 175.5 | 59.5 | -83.2 | 0 | 0 | 0 | 109.3 | R222 V226 N229 D240 | R222-Y238 HydrophobicContact CB-CD1 4.32Å; R222-Y238 HydrophobicContact CB-CD2 4.32Å; R222-Y238 HydrophobicContact CB-CE1 4.05Å; R222-Y238 HydrophobicContact CB-CE2 4.03Å; R222-Y238 HydrophobicContact CB-CG 4.46Å; R222-Y238 HydrophobicContact CG-CD1 4.1Å; R222-Y238 HydrophobicContact CG-CE1 3.79Å; V226-Y238 HydrophobicContact CG1-CD1 4.04Å; N229-Y238 WeakPolarHBondContact ND2-CE2 3.27Å; N229-Y238 PolarHBondContact ND2-O 3.29Å; N229-Y238 WeakPolarHBondContact OD1-CD1 3.49Å; N229-Y238 WeakPolarHBondContact OD1-CE1 3.44Å; N229-Y238 PolarHBondContact OD1-N 3.19Å; N229-Y238 PolarHBondContact OD1-O 2.76Å; Y238-D240 HydrophobicContact CD2-CB 4.34Å; Y238-D240 HydrophobicContact CE2-CB 3.98Å; Y238-D240 PolarHBondContact O-N 3.06Å |
| 239 | R | 95.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 59 Ų | 59 | 2% | 0.019 | 28% | 0.284 | C | S | . | . | trans | -84.8 | 101.9 | -176.9 | 178.4 | 159.3 | 45 | 92.1 | 14.8 | 110.8 | I143 R217 L218 T219 E220 L241 L254 | I143-R239 HydrophobicContact CD1-CB 4.04Å; R217-R239 PolarHBondContact O-NH1 3.48Å; L218-R239 VanDerWaalsContact C-NH1 3.33Å; L218-R239 PolarHBondContact O-NH1 3.1Å; L218-R239 PolarHBondContact O-NH2 3.23Å; L218-R239 VanDerWaalsContact O-NH2 3.12Å; T219-R239 PolarHBondContact OG1-O 2.96Å; E220-R239 HydrophobicContact CB-CB 4.32Å; E220-R239 HydrophobicContact CG-CB 4.01Å; E220-R239 PolarHBondContact N-O 3.17Å; E220-R239 IonicContact OE1-CZ 3.83Å; E220-R239 IonicContact OE1-NE 3.18Å; E220-R239 PolarHBondContact OE1-NE 2.93Å; E220-R239 IonicContact OE1-NH2 3.63Å; E220-R239 PolarHBondContact OE1-NH2 3.04Å; E220-R239 PolarHBondContact OE2-N 2.93Å; R239-L241 HydrophobicContact CG-CD2 3.63Å; R239-L241 HydrophobicContact CG-CG 4.39Å; R239-L254 HydrophobicContact CG-CD1 4.2Å | ||
| 240 | D | 96.7 | Very high | 95.7 | Very high | 41 Ų | 41 | 58.4 Ų | 58.4 | 22% | 0.219 | 28% | 0.282 | C | S | . | . | trans | -106.5 | 100.1 | 172.6 | -172.3 | -27.3 | 0 | 0 | 0 | 109.2 | W236 Y238 E242 A243 M244 | W236-D240 HydrophobicContact CZ3-CB 4.35Å; Y238-D240 HydrophobicContact CD2-CB 4.34Å; Y238-D240 HydrophobicContact CE2-CB 3.98Å; Y238-D240 PolarHBondContact O-N 3.06Å; D240-E242 VanDerWaalsContact C-N 3.29Å; D240-E242 PolarHBondContact O-N 2.91Å; D240-E242 PolarHBondContact OD1-N 3.44Å; D240-A243 HydrophobicContact CB-CB 4.06Å; D240-A243 PolarHBondContact OD1-N 3.41Å; D240-A243 VanDerWaalsContact OD1-N 3.14Å; D240-M244 WeakPolarHBondContact O-CB 3.42Å; D240-M244 WeakPolarHBondContact O-CG 3.25Å; D240-M244 PolarHBondContact O-N 2.88Å | ||
| 241 | L | 95.9 | Very high | 95.7 | Very high | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.037 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.4 | -33 | -174 | -60.1 | -172.9 | 0 | 0 | 0 | 112.5 | L185 T219 R239 S245 P252 L254 | L185-L241 HydrophobicContact CD1-CD2 4.21Å; T219-L241 PolarHBondContact OG1-N 2.75Å; R239-L241 HydrophobicContact CG-CD2 3.63Å; R239-L241 HydrophobicContact CG-CG 4.39Å; L241-S245 WeakPolarHBondContact O-CB 3.32Å; L241-S245 PolarHBondContact O-N 3.43Å; L241-S245 PolarHBondContact O-OG 3.21Å; L241-P252 HydrophobicContact CB-CB 4.15Å; L241-P252 WeakPolarHBondContact CD1-O 3.46Å; L241-L254 HydrophobicContact CD1-CB 4.21Å; L241-L254 HydrophobicContact CD2-CB 3.46Å; L241-L254 VanDerWaalsContact CD2-CB 3.46Å; L241-L254 HydrophobicContact CD2-CD1 3.82Å; L241-L254 HydrophobicContact CD2-CG 4.23Å |
| 242 | E | 95.3 | Very high | 95.7 | Very high | 117 Ų | 117 | 55.2 Ų | 55.2 | 55% | 0.547 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71.5 | -45.4 | -178.3 | -67.2 | -65.9 | 174.6 | 0 | 0 | 110.9 | D240 S245 R246 | D240-E242 VanDerWaalsContact C-N 3.29Å; D240-E242 PolarHBondContact O-N 2.91Å; D240-E242 PolarHBondContact OD1-N 3.44Å; E242-S245 PolarHBondContact O-N 3.29Å; E242-R246 WeakPolarHBondContact O-CB 3.43Å; E242-R246 PolarHBondContact O-N 2.97Å |
| 243 | A | 96.4 | Very high | 95.8 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.1 | -44.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W236 D240 S245 R246 I247 | W236-A243 HydrophobicContact CH2-CB 3.81Å; W236-A243 HydrophobicContact CZ3-CB 3.77Å; D240-A243 HydrophobicContact CB-CB 4.06Å; D240-A243 PolarHBondContact OD1-N 3.41Å; D240-A243 VanDerWaalsContact OD1-N 3.14Å; A243-S245 VanDerWaalsContact C-N 3.34Å; A243-S245 PolarHBondContact O-N 3.39Å; A243-R246 PolarHBondContact O-N 3.02Å; A243-I247 PolarHBondContact O-N 3.26Å |
| 244 | M | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.7 | -40.7 | 177 | -69.2 | 178.6 | 175.7 | 0 | 0 | 112.1 | L141 I143 L185 W236 D240 I247 T248 | L141-M244 HydrophobicContact CD1-CB 3.65Å; L141-M244 HydrophobicContact CD1-CG 3.61Å; L141-M244 HydrophobicContact CD1-SD 4.26Å; I143-M244 HydrophobicContact CD1-CE 3.88Å; I143-M244 HydrophobicContact CG1-CE 3.86Å; L185-M244 HydrophobicContact CD1-CB 3.63Å; L185-M244 HydrophobicContact CD1-SD 4.43Å; W236-M244 HydrophobicContact CB-CE 3.97Å; W236-M244 HydrophobicContact CD2-CE 3.51Å; W236-M244 HydrophobicContact CD2-CG 4.15Å; W236-M244 HydrophobicContact CE3-CE 3.38Å; W236-M244 HydrophobicContact CE3-CG 3.81Å; W236-M244 HydrophobicContact CE3-SD 4.5Å; W236-M244 HydrophobicContact CG-CE 3.76Å; W236-M244 HydrophobicContact CH2-CB 4.34Å; W236-M244 HydrophobicContact CH2-CG 3.62Å; W236-M244 HydrophobicContact CZ2-CG 3.94Å; W236-M244 HydrophobicContact CZ3-CE 4.09Å; W236-M244 HydrophobicContact CZ3-CG 3.54Å; D240-M244 WeakPolarHBondContact O-CB 3.42Å; D240-M244 WeakPolarHBondContact O-CG 3.25Å; D240-M244 PolarHBondContact O-N 2.88Å; M244-I247 PolarHBondContact O-N 2.9Å; M244-T248 WeakPolarHBondContact O-CB 3.4Å; M244-T248 WeakPolarHBondContact O-CG2 3.37Å; M244-T248 PolarHBondContact O-N 3.31Å; M244-T248 VanDerWaalsContact O-N 3.13Å; M244-T248 PolarHBondContact O-OG1 2.85Å |
| 245 | S | 95.8 | Very high | 96 | Very high | 9 Ų | 9 | 38 Ų | 38 | 6% | 0.063 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 177.9 | -66.8 | 0 | 0 | 0 | 0 | 112.1 | L241 E242 A243 I247 T248 G249 A250 A251 P252 | L241-S245 WeakPolarHBondContact O-CB 3.32Å; L241-S245 PolarHBondContact O-N 3.43Å; L241-S245 PolarHBondContact O-OG 3.21Å; E242-S245 PolarHBondContact O-N 3.29Å; A243-S245 VanDerWaalsContact C-N 3.34Å; A243-S245 PolarHBondContact O-N 3.39Å; S245-I247 VanDerWaalsContact C-N 3.28Å; S245-I247 PolarHBondContact O-N 3.48Å; S245-T248 PolarHBondContact O-N 2.87Å; S245-G249 WeakPolarHBondContact O-CA 3.26Å; S245-G249 PolarHBondContact O-N 3.03Å; S245-A250 WeakPolarHBondContact CB-O 3.18Å; S245-A250 PolarHBondContact O-N 3.45Å; S245-A250 PolarHBondContact OG-O 2.94Å; S245-A251 PolarHBondContact OG-O 3.42Å; S245-P252 WeakPolarHBondContact OG-CA 3.37Å |
| 246 | R | 96.3 | Very high | 96 | Very high | 200 Ų | 200 | 33 Ų | 33 | 76% | 0.755 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -58.8 | -39 | 177.9 | -170.8 | -177.2 | -53.8 | -173.7 | 4.3 | 112.9 | E242 A243 | E242-R246 WeakPolarHBondContact O-CB 3.43Å; E242-R246 PolarHBondContact O-N 2.97Å; A243-R246 PolarHBondContact O-N 3.02Å |
| 247 | I | 96 | Very high | 96 | Very high | 74 Ų | 74 | 33.2 Ų | 33.2 | 38% | 0.379 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -77.9 | -37.1 | -178.5 | -65.9 | 160.7 | 0 | 0 | 0 | 111.1 | E231 W236 A243 M244 S245 | E231-I247 HydrophobicContact CB-CD1 3.86Å; E231-I247 HydrophobicContact CG-CD1 3.85Å; W236-I247 HydrophobicContact CH2-CD1 3.74Å; W236-I247 HydrophobicContact CZ2-CD1 3.52Å; A243-I247 PolarHBondContact O-N 3.26Å; M244-I247 PolarHBondContact O-N 2.9Å; S245-I247 VanDerWaalsContact C-N 3.28Å; S245-I247 PolarHBondContact O-N 3.48Å |
| 248 | T | 96.6 | Very high | 96 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.025 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -95.4 | -14.1 | -170.9 | 57.5 | 0 | 0 | 0 | 0 | 114.6 | Q139 L141 P174 L185 M244 S245 A250 | Q139-T248 HydrophobicContact CB-CG2 4.36Å; Q139-T248 PolarHBondContact OE1-O 3.37Å; L141-T248 HydrophobicContact CD1-CG2 3.8Å; L141-T248 HydrophobicContact CD2-CG2 4.25Å; L141-T248 HydrophobicContact CG-CG2 4.12Å; P174-T248 HydrophobicContact CG-CG2 3.56Å; L185-T248 HydrophobicContact CD2-CG2 4.34Å; M244-T248 WeakPolarHBondContact O-CB 3.4Å; M244-T248 WeakPolarHBondContact O-CG2 3.37Å; M244-T248 PolarHBondContact O-N 3.31Å; M244-T248 VanDerWaalsContact O-N 3.13Å; M244-T248 PolarHBondContact O-OG1 2.85Å; S245-T248 PolarHBondContact O-N 2.87Å; T248-A250 PolarHBondContact O-N 2.87Å; T248-A250 WeakPolarHBondContact OG1-CB 3.37Å; T248-A250 PolarHBondContact OG1-N 3.23Å |
| 249 | G | 95.8 | Very high | 95.9 | Very high | 61 Ų | 61 | 37.2 Ų | 37.2 | 63% | 0.629 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | 14 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S245 | S245-G249 WeakPolarHBondContact O-CA 3.26Å; S245-G249 PolarHBondContact O-N 3.03Å |
| 250 | A | 95.8 | Very high | 95.8 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | trans | -77.1 | 157.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K183 L185 S245 T248 | K183-A250 HydrophobicContact CB-CB 4.44Å; K183-A250 HydrophobicContact CD-CB 4.28Å; K183-A250 HydrophobicContact CG-CB 4Å; K183-A250 CarbonylContact O-C 3.52Å; K183-A250 WeakPolarHBondContact O-CA 3.5Å; L185-A250 HydrophobicContact CD2-CB 3.9Å; L185-A250 HydrophobicContact CG-CB 3.99Å; S245-A250 WeakPolarHBondContact CB-O 3.18Å; S245-A250 PolarHBondContact O-N 3.45Å; S245-A250 PolarHBondContact OG-O 2.94Å; T248-A250 PolarHBondContact O-N 2.87Å; T248-A250 WeakPolarHBondContact OG1-CB 3.37Å; T248-A250 PolarHBondContact OG1-N 3.23Å | ||
| 251 | A | 94.9 | Very high | 95.7 | Very high | 26 Ų | 26 | 45 Ų | 45 | 22% | 0.215 | 23% | 0.231 | C | C | . | . | trans | -66.7 | 151.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | K183 S245 I253 | K183-A251 PolarHBondContact O-N 2.85Å; S245-A251 PolarHBondContact OG-O 3.42Å; A251-I253 HydrophobicContact CB-CD1 4.16Å; A251-I253 HydrophobicContact CB-CG1 4.41Å; A251-I253 PolarHBondContact O-N 3.23Å | ||
| 252 | P | 95.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 46.4 Ų | 46.4 | 26% | 0.26 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -74.2 | 50.4 | 179.2 | 32.9 | -37 | 0 | 0 | 0 | 112.7 | L241 S245 | L241-P252 HydrophobicContact CB-CB 4.15Å; L241-P252 WeakPolarHBondContact CD1-O 3.46Å; S245-P252 WeakPolarHBondContact OG-CA 3.37Å |
| 253 | I | 95.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | trans | -118.1 | 126.7 | 178.5 | -66.1 | 166.6 | 0 | 0 | 0 | 107 | L114 P118 V121 I182 I184 L185 A251 | L114-I253 HydrophobicContact CD1-CG2 4.25Å; L114-I253 HydrophobicContact CD2-CG2 4.15Å; P118-I253 HydrophobicContact CB-CD1 4.37Å; P118-I253 HydrophobicContact CB-CG1 4.37Å; P118-I253 HydrophobicContact CG-CD1 4.14Å; V121-I253 HydrophobicContact CB-CG1 4.45Å; V121-I253 HydrophobicContact CG1-CG1 4.29Å; V121-I253 HydrophobicContact CG1-CG2 3.99Å; V121-I253 HydrophobicContact CG2-CD1 4.1Å; V121-I253 HydrophobicContact CG2-CG1 4.34Å; I182-I253 HydrophobicContact CD1-CD1 4.3Å; I184-I253 HydrophobicContact CB-CB 4.28Å; I184-I253 HydrophobicContact CB-CG2 4.27Å; I184-I253 HydrophobicContact CG2-CB 4.03Å; I184-I253 HydrophobicContact CG2-CD1 4.35Å; I184-I253 HydrophobicContact CG2-CG2 4.09Å; L185-I253 WeakPolarHBondContact CB-O 3.34Å; L185-I253 PolarHBondContact N-O 3.43Å; A251-I253 HydrophobicContact CB-CD1 4.16Å; A251-I253 HydrophobicContact CB-CG1 4.41Å; A251-I253 PolarHBondContact O-N 3.23Å | ||
| 254 | L | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.9 | 174.5 | -176.8 | 144.9 | 0 | 0 | 0 | 112.6 | I172 L185 N187 R217 R239 L241 | I172-L254 HydrophobicContact CG1-CD1 4.23Å; I172-L254 HydrophobicContact CG2-CD1 4.23Å; L185-L254 HydrophobicContact CB-CB 4.12Å; L185-L254 HydrophobicContact CB-CD1 3.99Å; L185-L254 HydrophobicContact CB-CG 4.23Å; L185-L254 VanDerWaalsContact O-CA 3.25Å; L185-L254 WeakPolarHBondContact O-CA 3.43Å; N187-L254 HydrophobicContact CB-CD2 4.28Å; R217-L254 HydrophobicContact CB-CD2 4.07Å; R217-L254 PolarHBondContact N-O 3.08Å; R239-L254 HydrophobicContact CG-CD1 4.2Å; L241-L254 HydrophobicContact CD1-CB 4.21Å; L241-L254 HydrophobicContact CD2-CB 3.46Å; L241-L254 VanDerWaalsContact CD2-CB 3.46Å; L241-L254 HydrophobicContact CD2-CD1 3.82Å; L241-L254 HydrophobicContact CD2-CG 4.23Å |
| 255 | I | 96.9 | Very high | 95 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 133.1 | 168.9 | 66.8 | 173.8 | 0 | 0 | 0 | 110.2 | V129 V131 I184 L185 V186 N187 V212 V215 V216 | V129-I255 HydrophobicContact CG2-CB 4.46Å; V129-I255 HydrophobicContact CG2-CG2 3.56Å; V131-I255 HydrophobicContact CG2-CD1 3.58Å; I184-I255 HydrophobicContact CD1-CD1 4.28Å; I184-I255 HydrophobicContact CD1-CG1 4.44Å; L185-I255 PolarHBondContact O-N 3.34Å; L185-I255 VanDerWaalsContact O-N 3.09Å; V186-I255 WeakPolarHBondContact CA-O 3.48Å; V186-I255 HydrophobicContact CB-CG1 4.29Å; V186-I255 HydrophobicContact CG1-CG1 4.18Å; V186-I255 HydrophobicContact CG2-CD1 3.96Å; V186-I255 HydrophobicContact CG2-CG1 3.76Å; N187-I255 PolarHBondContact N-O 2.97Å; V212-I255 HydrophobicContact CB-CD1 4.46Å; V212-I255 HydrophobicContact CG1-CD1 3.95Å; V215-I255 WeakPolarHBondContact O-CA 3.34Å; V216-I255 HydrophobicContact CG2-CG2 4.29Å |
| 256 | D | 96.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 48.8 Ų | 48.8 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 113.9 | 166.9 | -81.8 | -5.7 | 0 | 0 | 0 | 108 | N187 G214 V215 R217 T272 | N187-D256 VanDerWaalsContact CB-OD1 3.23Å; N187-D256 WeakPolarHBondContact CB-OD1 3.44Å; N187-D256 PolarHBondContact ND2-OD1 3.33Å; G214-D256 CarbonylContact C-O 3.56Å; G214-D256 WeakPolarHBondContact CA-O 3.41Å; V215-D256 HydrophobicContact CG2-CB 4.1Å; V215-D256 PolarHBondContact N-O 3.49Å; V215-D256 PolarHBondContact O-N 3.36Å; R217-D256 HydrophobicContact CG-CB 4.26Å; R217-D256 WeakPolarHBondContact CG-OD2 3.31Å; R217-D256 IonicContact NH1-OD2 2.93Å; D256-T272 WeakPolarHBondContact CB-OG1 3.29Å; D256-T272 WeakPolarHBondContact OD2-CG2 3.37Å; D256-T272 PolarHBondContact OD2-OG1 3.12Å |
| 257 | A | 96.7 | Very high | 94.9 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.033 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 138.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V186 N187 V212 G270 | V186-A257 HydrophobicContact CG1-CB 4.3Å; N187-A257 WeakPolarHBondContact O-CB 3.43Å; N187-A257 PolarHBondContact O-N 2.84Å; V212-A257 HydrophobicContact CG1-CB 4.09Å; A257-G270 PolarHBondContact O-N 3.37Å |
| 258 | D | 94.6 | Very high | 94.8 | Very high | 22 Ų | 22 | 38.4 Ų | 38.4 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | trans | -75.2 | 170 | 174.3 | 82.5 | 15.2 | 0 | 0 | 0 | 111.4 | R128 V213 K260 S261 | R128-D258 IonicContact NH2-OD2 3.39Å; R128-D258 PolarHBondContact NH2-OD2 3.08Å; V213-D258 VanDerWaalsContact CG1-OD2 3.31Å; V213-D258 WeakPolarHBondContact CG1-OD2 3.44Å; V213-D258 PolarHBondContact O-N 3.08Å; D258-K260 PolarHBondContact O-N 3.4Å; D258-K260 WeakPolarHBondContact OD1-CA 3.45Å; D258-K260 WeakPolarHBondContact OD1-CB 3.21Å; D258-K260 PolarHBondContact OD1-N 2.91Å; D258-S261 PolarHBondContact O-N 2.96Å; D258-S261 PolarHBondContact OD1-N 2.66Å | ||
| 259 | F | 92.8 | Very high | 94.7 | Very high | 142 Ų | 142 | 38.2 Ų | 38.2 | 62% | 0.623 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -64.6 | -30.4 | -178.4 | -177.1 | -102 | 0 | 0 | 0 | 112.4 | S261 T262 V268 | F259-S261 VanDerWaalsContact C-N 3.34Å; F259-T262 WeakPolarHBondContact O-CB 3.3Å; F259-T262 PolarHBondContact O-N 2.91Å; F259-T262 VanDerWaalsContact O-N 3.16Å; F259-T262 PolarHBondContact O-OG1 3.5Å; F259-V268 HydrophobicContact CD2-CG1 4.14Å; F259-V268 HydrophobicContact CE2-CG1 3.97Å |
| 260 | K | 93.4 | Very high | 94.4 | Very high | 188 Ų | 188 | 36.9 Ų | 36.9 | 82% | 0.817 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -28 | -178.4 | -63.5 | -176.2 | 177.9 | -173.7 | 0 | 112 | D258 T262 | D258-K260 PolarHBondContact O-N 3.4Å; D258-K260 WeakPolarHBondContact OD1-CA 3.45Å; D258-K260 WeakPolarHBondContact OD1-CB 3.21Å; D258-K260 PolarHBondContact OD1-N 2.91Å; K260-T262 PolarHBondContact O-N 2.92Å |
| 261 | S | 94.2 | Very high | 94 | Very high | 21 Ų | 21 | 37.7 Ų | 37.7 | 15% | 0.147 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 8.6 | 170.7 | -67 | 0 | 0 | 0 | 0 | 113.9 | V213 D258 F259 I263 | V213-S261 PolarHBondContact N-OG 2.93Å; V213-S261 PolarHBondContact O-OG 2.77Å; D258-S261 PolarHBondContact O-N 2.96Å; D258-S261 PolarHBondContact OD1-N 2.66Å; F259-S261 VanDerWaalsContact C-N 3.34Å; S261-I263 PolarHBondContact O-N 3.46Å |
| 262 | T | 94.4 | Very high | 93.5 | Very high | 37 Ų | 37 | 37.4 Ų | 37.4 | 23% | 0.227 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 127.6 | 173.3 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | F259 K260 G269 | F259-T262 WeakPolarHBondContact O-CB 3.3Å; F259-T262 PolarHBondContact O-N 2.91Å; F259-T262 VanDerWaalsContact O-N 3.16Å; F259-T262 PolarHBondContact O-OG1 3.5Å; K260-T262 PolarHBondContact O-N 2.92Å; T262-G269 PolarHBondContact OG1-N 3.29Å |
| 263 | I | 93.9 | Very high | 92.6 | Very high | 25 Ų | 25 | 43.3 Ų | 43.3 | 13% | 0.128 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -88.7 | 124.2 | 173.4 | -58.9 | 178.2 | 0 | 0 | 0 | 108.8 | Y135 V206 S261 G265 G266 | Y135-I263 HydrophobicContact CE2-CD1 3.95Å; V206-I263 HydrophobicContact CB-CD1 4.36Å; V206-I263 HydrophobicContact CG1-CD1 4.11Å; V206-I263 HydrophobicContact CG1-CG2 3.75Å; V206-I263 HydrophobicContact CG2-CD1 3.35Å; S261-I263 PolarHBondContact O-N 3.46Å; I263-G265 PolarHBondContact O-N 2.9Å; I263-G266 PolarHBondContact O-N 3.49Å |
| 264 | P | 92.5 | Very high | 91.4 | Very high | 108 Ų | 108 | 45.2 Ų | 45.2 | 70% | 0.701 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | 128.9 | 178.6 | -28.4 | 36 | 0 | 0 | 0 | 113.1 | G266 | P264-G266 PolarHBondContact O-N 3.3Š|
| 265 | G | 90.6 | Very high | 90 | Very high | 38 Ų | 38 | 49.7 Ų | 49.7 | 39% | 0.392 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -4.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R201 I263 | R201-G265 WeakPolarHBondContact CB-O 3.44Å; I263-G265 PolarHBondContact O-N 2.9Å |
| 266 | G | 93.2 | Very high | 88.7 | Confident | 13 Ų | 13 | 52.9 Ų | 52.9 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -97.3 | -166 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I263 P264 | I263-G266 PolarHBondContact O-N 3.49Å; P264-G266 PolarHBondContact O-N 3.3Å |
| 267 | P | 95.7 | Very high | 87.5 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.013 | 32% | 0.323 | C | S | . | . | trans | -58.4 | 141.2 | 170.6 | -20.7 | 33.2 | 0 | 0 | 0 | 112 | V171 R188 Y190 V191 | V171-P267 HydrophobicContact CB-CB 4.3Å; V171-P267 HydrophobicContact CB-CG 3.79Å; V171-P267 HydrophobicContact CG1-CG 4.3Å; V171-P267 HydrophobicContact CG2-CB 4.32Å; V171-P267 HydrophobicContact CG2-CG 3.81Å; R188-P267 HydrophobicContact CB-CB 3.88Å; R188-P267 HydrophobicContact CB-CG 3.99Å; Y190-P267 WeakPolarHBondContact O-CA 3.45Å; V191-P267 HydrophobicContact CG1-CB 3.76Å; V191-P267 HydrophobicContact CG1-CG 3.76Å | ||
| 268 | V | 94.9 | Very high | 86.6 | Confident | 53 Ų | 53 | 63.9 Ų | 63.9 | 32% | 0.321 | 34% | 0.335 | S | S | . | . | B | Isolated β-bridge | trans | -87.2 | 116.6 | -179.2 | -177.9 | 0 | 0 | 0 | 0 | 109.4 | R188 G189 Y190 F259 Q271 | R188-V268 CarbonylContact O-C 3.26Å; G189-V268 CarbonylContact C-O 3.57Å; G189-V268 WeakPolarHBondContact CA-O 3.39Å; Y190-V268 PolarHBondContact N-O 3.04Å; Y190-V268 PolarHBondContact O-N 2.93Å; F259-V268 HydrophobicContact CD2-CG1 4.14Å; F259-V268 HydrophobicContact CE2-CG1 3.97Å; V268-Q271 WeakPolarHBondContact O-CG 3.15Å |
| 269 | G | 93.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -72.1 | -178 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | R188 T262 Q271 | R188-G269 WeakPolarHBondContact O-CA 3.33Å; R188-G269 PolarHBondContact O-N 3.43Å; T262-G269 PolarHBondContact OG1-N 3.29Å; G269-Q271 VanDerWaalsContact C-N 3.28Å; G269-Q271 PolarHBondContact O-N 2.93Å; G269-Q271 PolarHBondContact O-NE2 2.9Å | ||
| 270 | G | 90.5 | Very high | 85.7 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | trans | 71.6 | 20.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A257 T272 | A257-G270 PolarHBondContact O-N 3.37Å; G270-T272 PolarHBondContact O-N 2.94Å | ||
| 271 | Q | 87.7 | Confident | 85.5 | Confident | 25 Ų | 25 | 56 Ų | 56 | 12% | 0.117 | 30% | 0.303 | C | S | . | . | trans | -87.7 | 13.7 | -174.9 | -58.5 | -65.6 | -57.7 | 0 | 0 | 113.4 | V149 V268 G269 R273 | V149-Q271 HydrophobicContact CG2-CB 4.38Å; V149-Q271 VanDerWaalsContact CG2-O 3.32Å; V149-Q271 WeakPolarHBondContact CG2-O 3.23Å; V149-Q271 PolarHBondContact O-NE2 3.5Å; V268-Q271 WeakPolarHBondContact O-CG 3.15Å; G269-Q271 VanDerWaalsContact C-N 3.28Å; G269-Q271 PolarHBondContact O-N 2.93Å; G269-Q271 PolarHBondContact O-NE2 2.9Å; Q271-R273 PolarHBondContact O-N 3.44Å | ||
| 272 | T | 83.6 | Confident | 85.3 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 13% | 0.129 | 32% | 0.324 | C | S | . | . | trans | -74.8 | 109.2 | 176.7 | -50.7 | 0 | 0 | 0 | 0 | 109.7 | V215 D256 G270 V274 | V215-T272 HydrophobicContact CG2-CG2 4.48Å; D256-T272 WeakPolarHBondContact CB-OG1 3.29Å; D256-T272 WeakPolarHBondContact OD2-CG2 3.37Å; D256-T272 PolarHBondContact OD2-OG1 3.12Å; G270-T272 PolarHBondContact O-N 2.94Å; T272-V274 HydrophobicContact CG2-CG2 3.76Å; T272-V274 PolarHBondContact O-N 3.49Å; T272-V274 VanDerWaalsContact O-N 3.11Å | ||
| 273 | R | 76.2 | Confident | 85.1 | Confident | 163 Ų | 163 | 64.6 Ų | 64.6 | 62% | 0.615 | 34% | 0.335 | S | S | * | . | trans | -73.5 | 103.5 | 172.8 | -63.9 | 178.8 | 82.2 | -165.4 | 7.6 | 110.2 | V149 E154 Q271 | V149-R273 HydrophobicContact CB-CG 4.29Å; V149-R273 HydrophobicContact CG1-CG 3.99Å; V149-R273 HydrophobicContact CG2-CG 3.28Å; E154-R273 IonicContact OE1-CZ 2.62Å; E154-R273 IonicContact OE1-NE 3.63Å; E154-R273 PolarHBondContact OE1-NE 3.37Å; E154-R273 VanDerWaalsContact OE1-NE 3.08Å; E154-R273 IonicContact OE1-NH2 3.17Å; E154-R273 PolarHBondContact OE1-NH2 3.27Å; Q271-R273 PolarHBondContact O-N 3.44Å | ||
| 274 | V | 70.8 | Confident | 85.1 | Confident | 44 Ų | 44 | 64.4 Ų | 64.4 | 27% | 0.267 | 33% | 0.334 | S | S | . | . | trans | -104 | 10.3 | 174 | -163.2 | 0 | 0 | 0 | 0 | 111.3 | L103 T107 Y126 T272 L276 | L103-V274 HydrophobicContact CB-CG1 3.92Å; L103-V274 HydrophobicContact CD1-CG1 4.11Å; L103-V274 HydrophobicContact CG-CG1 4.42Å; T107-V274 HydrophobicContact CG2-CG1 4.3Å; T107-V274 HydrophobicContact CG2-CG2 4.28Å; Y126-V274 HydrophobicContact CD1-CG2 4.49Å; Y126-V274 HydrophobicContact CE1-CG2 4.49Å; T272-V274 HydrophobicContact CG2-CG2 3.76Å; T272-V274 PolarHBondContact O-N 3.49Å; T272-V274 VanDerWaalsContact O-N 3.11Å; V274-L276 PolarHBondContact O-N 3.45Å | ||
| 275 | T | 66.9 | Low | 85.2 | Confident | 96 Ų | 96 | 63.9 Ų | 63.9 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | trans | -79.8 | 125.1 | -177.2 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 276 | L | 69.2 | Low | 85.4 | Confident | 66 Ų | 66 | 65.2 Ų | 65.2 | 35% | 0.346 | 33% | 0.329 | S | S | . | . | trans | -105.6 | 106.7 | 171.3 | -69.6 | 173.3 | 0 | 0 | 0 | 108.7 | L99 I100 L103 V274 N278 | L99-L276 HydrophobicContact CD2-CD1 3.75Å; L99-L276 HydrophobicContact CG-CD1 3.96Å; I100-L276 HydrophobicContact CD1-CB 3.98Å; I100-L276 HydrophobicContact CG1-CB 3.95Å; I100-L276 HydrophobicContact CG1-CD1 3.77Å; I100-L276 HydrophobicContact CG1-CG 4.36Å; L103-L276 HydrophobicContact CD1-CD1 3.98Å; V274-L276 PolarHBondContact O-N 3.45Å; L276-N278 PolarHBondContact O-N 3.23Å | ||
| 277 | R | 71.8 | Confident | 85.6 | Confident | 190 Ų | 190 | 67.9 Ų | 67.9 | 72% | 0.717 | 34% | 0.335 | S | S | * | . | trans | -50.7 | 127.2 | 178.7 | -178.3 | 172.8 | -177.1 | 179.5 | 1.4 | 111.6 | K96 E279 | K96-R277 WeakPolarHBondContact CE-O 3.49Å; K96-R277 PolarHBondContact NZ-O 2.61Å; R277-E279 HydrophobicContact CG-CG 4.21Å; R277-E279 IonicContact CZ-OE1 3.53Å; R277-E279 VanDerWaalsContact CZ-OE1 3.3Å; R277-E279 IonicContact NE-OE1 2.85Å; R277-E279 PolarHBondContact NE-OE1 2.91Å; R277-E279 IonicContact NH2-OE1 2.93Å; R277-E279 PolarHBondContact NH2-OE1 2.97Å | ||
| 278 | N | 78.3 | Confident | 85.7 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 28% | 0.283 | 35% | 0.349 | S | S | . | . | trans | -128.9 | 90.2 | -173.7 | 179.6 | 22.4 | 0 | 0 | 0 | 113 | M97 L276 H280 | M97-N278 HydrophobicContact CE-CB 4.22Å; M97-N278 WeakPolarHBondContact CE-ND2 3.37Å; L276-N278 PolarHBondContact O-N 3.23Å; N278-H280 PolarHBondContact OD1-CD2 2.93Å; N278-H280 VanDerWaalsContact OD1-CD2 3.24Å; N278-H280 PolarHBondContact OD1-N 3.27Å | ||
| 279 | E | 83.1 | Confident | 85.8 | Confident | 67 Ų | 67 | 70.8 Ų | 70.8 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | trans | -95.4 | 4.6 | 178.1 | -53.6 | -61.7 | 172.8 | 0 | 0 | 113.3 | R277 M281 Q282 Y283 | R277-E279 HydrophobicContact CG-CG 4.21Å; R277-E279 IonicContact CZ-OE1 3.53Å; R277-E279 VanDerWaalsContact CZ-OE1 3.3Å; R277-E279 IonicContact NE-OE1 2.85Å; R277-E279 PolarHBondContact NE-OE1 2.91Å; R277-E279 IonicContact NH2-OE1 2.93Å; R277-E279 PolarHBondContact NH2-OE1 2.97Å; E279-M281 PolarHBondContact O-N 3.48Å; E279-M281 VanDerWaalsContact O-N 3.13Å; E279-Q282 PolarHBondContact O-N 3.41Å; E279-Y283 HydrophobicContact CB-CD2 4.08Å; E279-Y283 HydrophobicContact CB-CE2 3.77Å; E279-Y283 VanDerWaalsContact O-CD2 3.27Å; E279-Y283 WeakPolarHBondContact O-CD2 3.31Å; E279-Y283 PolarHBondContact O-N 2.69Å | ||
| 280 | H | 86.3 | Confident | 85.9 | Confident | 22 Ų | 22 | 74.6 Ų | 74.6 | 10% | 0.102 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.9 | -28.2 | -168.9 | -67.8 | -71.4 | 0 | 0 | 0 | 113 | Q89 R92 R93 N278 Y283 I284 | Q89-H280 PolarHBondContact OE1-ND1 3.19Å; R92-H280 VanDerWaalsContact CG-CE1 3.44Å; R92-H280 WeakPolarHBondContact CG-CE1 3.37Å; R93-H280 HydrophobicContact CB-CB 3.69Å; R93-H280 HydrophobicContact CG-CB 3.94Å; N278-H280 PolarHBondContact OD1-CD2 2.93Å; N278-H280 VanDerWaalsContact OD1-CD2 3.24Å; N278-H280 PolarHBondContact OD1-N 3.27Å; H280-Y283 PolarHBondContact O-N 2.93Å; H280-I284 WeakPolarHBondContact O-CB 3.35Å; H280-I284 VanDerWaalsContact O-CD1 3.31Å; H280-I284 WeakPolarHBondContact O-CD1 3.26Å; H280-I284 WeakPolarHBondContact O-CG1 3.4Å; H280-I284 PolarHBondContact O-N 3.47Å |
| 281 | M | 87.9 | Confident | 86.3 | Confident | 97 Ų | 97 | 73.7 Ų | 73.7 | 48% | 0.478 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.2 | -46.2 | 177.7 | -172.2 | 62.2 | 85.1 | 0 | 0 | 112 | E279 Y283 I284 V285 | E279-M281 PolarHBondContact O-N 3.48Å; E279-M281 VanDerWaalsContact O-N 3.13Å; M281-Y283 VanDerWaalsContact C-N 3.32Å; M281-Y283 PolarHBondContact O-N 3.23Å; M281-I284 WeakPolarHBondContact O-CB 3.34Å; M281-I284 PolarHBondContact O-N 3.13Å; M281-V285 WeakPolarHBondContact O-CG2 3.36Å; M281-V285 PolarHBondContact O-N 2.76Å |
| 282 | Q | 89.4 | Confident | 86.7 | Confident | 124 Ų | 124 | 75.5 Ų | 75.5 | 58% | 0.579 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -59 | -46.9 | 177.3 | -177.4 | -179.3 | -3.7 | 0 | 0 | 110.4 | E279 I284 V285 T286 | E279-Q282 PolarHBondContact O-N 3.41Å; Q282-I284 PolarHBondContact O-N 3.46Å; Q282-V285 PolarHBondContact O-N 3.29Å; Q282-T286 PolarHBondContact O-N 3.04Å; Q282-T286 PolarHBondContact O-OG1 2.94Å; Q282-T286 VanDerWaalsContact O-OG1 3.08Å |
| 283 | Y | 91.4 | Very high | 87.3 | Confident | 116 Ų | 116 | 76.9 Ų | 76.9 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.3 | -40.5 | 177 | -70.1 | -63.3 | 0 | 0 | 0 | 112.9 | E279 H280 M281 V285 T286 W287 | E279-Y283 HydrophobicContact CB-CD2 4.08Å; E279-Y283 HydrophobicContact CB-CE2 3.77Å; E279-Y283 VanDerWaalsContact O-CD2 3.27Å; E279-Y283 WeakPolarHBondContact O-CD2 3.31Å; E279-Y283 PolarHBondContact O-N 2.69Å; H280-Y283 PolarHBondContact O-N 2.93Å; M281-Y283 VanDerWaalsContact C-N 3.32Å; M281-Y283 PolarHBondContact O-N 3.23Å; Y283-V285 VanDerWaalsContact C-N 3.3Å; Y283-V285 PolarHBondContact O-N 2.83Å; Y283-T286 PolarHBondContact O-N 3.4Å; Y283-W287 PolarHBondContact O-N 2.98Å |
| 284 | I | 93.5 | Very high | 88.2 | Confident | 20 Ų | 20 | 70.6 Ų | 70.6 | 10% | 0.103 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.2 | -47.9 | 175.6 | -72.6 | 160.3 | 0 | 0 | 0 | 110.1 | Q89 V90 R93 H280 M281 Q282 W287 Y288 | Q89-I284 HydrophobicContact CB-CD1 4.47Å; Q89-I284 HydrophobicContact CB-CG1 3.59Å; V90-I284 HydrophobicContact CB-CD1 4.44Å; V90-I284 HydrophobicContact CG2-CD1 3.83Å; V90-I284 HydrophobicContact CG2-CG1 3.92Å; V90-I284 HydrophobicContact CG2-CG2 4.09Å; R93-I284 HydrophobicContact CB-CD1 4.33Å; H280-I284 WeakPolarHBondContact O-CB 3.35Å; H280-I284 VanDerWaalsContact O-CD1 3.31Å; H280-I284 WeakPolarHBondContact O-CD1 3.26Å; H280-I284 WeakPolarHBondContact O-CG1 3.4Å; H280-I284 PolarHBondContact O-N 3.47Å; M281-I284 WeakPolarHBondContact O-CB 3.34Å; M281-I284 PolarHBondContact O-N 3.13Å; Q282-I284 PolarHBondContact O-N 3.46Å; I284-W287 PolarHBondContact O-N 2.93Å; I284-Y288 HydrophobicContact CG2-CD2 3.64Å; I284-Y288 HydrophobicContact CG2-CE2 3.76Å; I284-Y288 WeakPolarHBondContact O-CD2 3.31Å; I284-Y288 PolarHBondContact O-N 3.47Å |
| 285 | V | 94.9 | Very high | 89.4 | Confident | 97 Ų | 97 | 70.7 Ų | 70.7 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.6 | -45.8 | 177.7 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | M281 Q282 Y283 G289 | M281-V285 WeakPolarHBondContact O-CG2 3.36Å; M281-V285 PolarHBondContact O-N 2.76Å; Q282-V285 PolarHBondContact O-N 3.29Å; Y283-V285 VanDerWaalsContact C-N 3.3Å; Y283-V285 PolarHBondContact O-N 2.83Å; V285-G289 PolarHBondContact O-N 2.83Å |
| 286 | T | 95.4 | Very high | 90.7 | Very high | 66 Ų | 66 | 73.1 Ų | 73.1 | 41% | 0.405 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.8 | -49.6 | 177.8 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | Q282 Y283 G289 L290 | Q282-T286 PolarHBondContact O-N 3.04Å; Q282-T286 PolarHBondContact O-OG1 2.94Å; Q282-T286 VanDerWaalsContact O-OG1 3.08Å; Y283-T286 PolarHBondContact O-N 3.4Å; T286-G289 PolarHBondContact O-N 3.46Å; T286-L290 HydrophobicContact CG2-CD1 4.15Å; T286-L290 WeakPolarHBondContact O-CB 3.43Å; T286-L290 WeakPolarHBondContact O-CG 3.32Å; T286-L290 PolarHBondContact O-N 3.4Å |
| 287 | W | 97.3 | Very high | 91.9 | Very high | 69 Ų | 69 | 75 Ų | 75 | 26% | 0.261 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.4 | -41.9 | -175.7 | -70.1 | 117.7 | 0 | 0 | 0 | 112.7 | T82 L85 Y283 I284 L290 C291 | T82-W287 HydrophobicContact CG2-CE3 3.94Å; T82-W287 HydrophobicContact CG2-CZ3 4.12Å; L85-W287 HydrophobicContact CB-CD2 3.83Å; L85-W287 HydrophobicContact CB-CE3 4.1Å; L85-W287 HydrophobicContact CB-CG 4.04Å; L85-W287 HydrophobicContact CD1-CD2 4.13Å; L85-W287 HydrophobicContact CD1-CE3 3.77Å; L85-W287 HydrophobicContact CD1-CH2 3.61Å; L85-W287 HydrophobicContact CD1-CZ2 3.97Å; L85-W287 HydrophobicContact CD1-CZ3 3.5Å; Y283-W287 PolarHBondContact O-N 2.98Å; I284-W287 PolarHBondContact O-N 2.93Å; W287-L290 HydrophobicContact CE3-CD1 4.16Å; W287-L290 HydrophobicContact CZ3-CD1 4.2Å; W287-C291 WeakPolarHBondContact O-CB 3.28Å; W287-C291 PolarHBondContact O-N 3.07Å |
| 288 | Y | 97.4 | Very high | 92.9 | Very high | 78 Ų | 78 | 68.1 Ų | 68.1 | 31% | 0.306 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -72 | -32.3 | 175 | -72.3 | -47.3 | 0 | 0 | 0 | 112.8 | F83 T87 V90 I284 C291 A292 | F83-Y288 HydrophobicContact CD2-CD1 4.23Å; F83-Y288 AromaticContact CD2-CE1 3.79Å; F83-Y288 HydrophobicContact CD2-CE1 3.79Å; F83-Y288 AromaticContact CE2-CE1 3.94Å; F83-Y288 HydrophobicContact CE2-CE1 3.94Å; T87-Y288 WeakPolarHBondContact CA-OH 3.38Å; T87-Y288 PolarHBondContact N-OH 2.97Å; T87-Y288 PolarHBondContact OG1-OH 3.36Å; V90-Y288 HydrophobicContact CG2-CE2 4.08Å; I284-Y288 HydrophobicContact CG2-CD2 3.64Å; I284-Y288 HydrophobicContact CG2-CE2 3.76Å; I284-Y288 WeakPolarHBondContact O-CD2 3.31Å; I284-Y288 PolarHBondContact O-N 3.47Å; Y288-C291 WeakPolarHBondContact O-CB 3.2Å; Y288-C291 PolarHBondContact O-N 3.41Å; Y288-A292 WeakPolarHBondContact O-CB 3.43Å; Y288-A292 PolarHBondContact O-N 3.36Å |
| 289 | G | 96.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 71.4 Ų | 71.4 | 40% | 0.402 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V285 T286 C291 A292 A293 | V285-G289 PolarHBondContact O-N 2.83Å; T286-G289 PolarHBondContact O-N 3.46Å; G289-C291 PolarHBondContact O-N 2.97Å; G289-A292 PolarHBondContact O-N 3.4Å; G289-A293 WeakPolarHBondContact O-CB 3.3Å; G289-A293 PolarHBondContact O-N 2.88Å |
| 290 | L | 96.5 | Very high | 93.9 | Very high | 79 Ų | 79 | 68.3 Ų | 68.3 | 41% | 0.414 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 174.1 | -72.5 | 174.7 | 0 | 0 | 0 | 111.8 | T82 T286 W287 A292 A293 T294 | T82-L290 HydrophobicContact CG2-CB 4.14Å; T286-L290 HydrophobicContact CG2-CD1 4.15Å; T286-L290 WeakPolarHBondContact O-CB 3.43Å; T286-L290 WeakPolarHBondContact O-CG 3.32Å; T286-L290 PolarHBondContact O-N 3.4Å; W287-L290 HydrophobicContact CE3-CD1 4.16Å; W287-L290 HydrophobicContact CZ3-CD1 4.2Å; L290-A292 PolarHBondContact O-N 2.93Å; L290-A293 PolarHBondContact O-N 3.16Å; L290-T294 WeakPolarHBondContact O-CB 3.29Å; L290-T294 VanDerWaalsContact O-CG2 3.29Å; L290-T294 WeakPolarHBondContact O-CG2 3.4Å; L290-T294 PolarHBondContact O-N 3.39Å; L290-T294 PolarHBondContact O-OG1 3.44Å |
| 291 | C | 97.3 | Very high | 94 | Very high | 16 Ų | 16 | 72.1 Ų | 72.1 | 11% | 0.108 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -57.9 | -48.4 | 174.5 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | T82 W287 Y288 G289 T294 S295 | T82-C291 VanDerWaalsContact OG1-CA 3.26Å; T82-C291 WeakPolarHBondContact OG1-CA 3.25Å; T82-C291 WeakPolarHBondContact OG1-CB 3.36Å; W287-C291 WeakPolarHBondContact O-CB 3.28Å; W287-C291 PolarHBondContact O-N 3.07Å; Y288-C291 WeakPolarHBondContact O-CB 3.2Å; Y288-C291 PolarHBondContact O-N 3.41Å; G289-C291 PolarHBondContact O-N 2.97Å; C291-T294 PolarHBondContact O-OG1 2.97Å; C291-S295 WeakPolarHBondContact O-CB 3.47Å; C291-S295 PolarHBondContact O-N 3.37Å; C291-S295 PolarHBondContact O-OG 2.94Å |
| 292 | A | 97 | Very high | 93.9 | Very high | 62 Ų | 62 | 69.3 Ų | 69.3 | 51% | 0.512 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | Y288 G289 L290 S295 Y296 | Y288-A292 WeakPolarHBondContact O-CB 3.43Å; Y288-A292 PolarHBondContact O-N 3.36Å; G289-A292 PolarHBondContact O-N 3.4Å; L290-A292 PolarHBondContact O-N 2.93Å; A292-S295 PolarHBondContact O-N 2.85Å; A292-Y296 WeakPolarHBondContact O-CB 3.38Å; A292-Y296 PolarHBondContact O-N 3.33Å |
| 293 | A | 96.3 | Very high | 93.8 | Very high | 50 Ų | 50 | 67.4 Ų | 67.4 | 41% | 0.413 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G289 L290 Y296 M297 | G289-A293 WeakPolarHBondContact O-CB 3.3Å; G289-A293 PolarHBondContact O-N 2.88Å; L290-A293 PolarHBondContact O-N 3.16Å; A293-Y296 PolarHBondContact O-N 3.34Å; A293-M297 WeakPolarHBondContact O-CG 3.24Å; A293-M297 PolarHBondContact O-N 2.96Å |
| 294 | T | 95.2 | Very high | 93.4 | Very high | 31 Ų | 31 | 68.3 Ų | 68.3 | 19% | 0.19 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.7 | -35.5 | -179.2 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | I78 L290 C291 W298 | I78-T294 HydrophobicContact CG2-CG2 3.81Å; L290-T294 WeakPolarHBondContact O-CB 3.29Å; L290-T294 VanDerWaalsContact O-CG2 3.29Å; L290-T294 WeakPolarHBondContact O-CG2 3.4Å; L290-T294 PolarHBondContact O-N 3.39Å; L290-T294 PolarHBondContact O-OG1 3.44Å; C291-T294 PolarHBondContact O-OG1 2.97Å; T294-W298 VanDerWaalsContact O-CB 3.31Å; T294-W298 WeakPolarHBondContact O-CB 3.27Å; T294-W298 PolarHBondContact O-N 2.92Å |
| 295 | S | 95.3 | Very high | 92.7 | Very high | 47 Ų | 47 | 75.6 Ų | 75.6 | 33% | 0.329 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 171.4 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | P79 C291 A292 W298 Y299 | P79-S295 WeakPolarHBondContact CB-OG 3.33Å; C291-S295 WeakPolarHBondContact O-CB 3.47Å; C291-S295 PolarHBondContact O-N 3.37Å; C291-S295 PolarHBondContact O-OG 2.94Å; A292-S295 PolarHBondContact O-N 2.85Å; S295-W298 PolarHBondContact O-N 3.24Å; S295-Y299 WeakPolarHBondContact O-CB 3.27Å; S295-Y299 PolarHBondContact O-N 3.45Å |
| 296 | Y | 95 | Very high | 91.7 | Very high | 146 Ų | 146 | 74.1 Ų | 74.1 | 57% | 0.573 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.8 | -47.6 | 177.2 | 174.6 | -100.7 | 0 | 0 | 0 | 111.9 | A292 A293 W298 Y299 A300 | A292-Y296 WeakPolarHBondContact O-CB 3.38Å; A292-Y296 PolarHBondContact O-N 3.33Å; A293-Y296 PolarHBondContact O-N 3.34Å; Y296-W298 VanDerWaalsContact C-N 3.3Å; Y296-W298 PolarHBondContact O-N 3.04Å; Y296-Y299 PolarHBondContact O-N 2.99Å; Y296-A300 WeakPolarHBondContact O-CB 3.3Å; Y296-A300 PolarHBondContact O-N 3.08Å |
| 297 | M | 93.1 | Very high | 90.1 | Very high | 107 Ų | 107 | 81 Ų | 81 | 53% | 0.527 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -58.9 | -43.3 | 176.4 | -70.5 | 174.4 | 70.2 | 0 | 0 | 111.5 | A293 A300 K301 | A293-M297 WeakPolarHBondContact O-CG 3.24Å; A293-M297 PolarHBondContact O-N 2.96Å; M297-A300 PolarHBondContact O-N 3.47Å; M297-K301 VanDerWaalsContact O-CB 3.32Å; M297-K301 WeakPolarHBondContact O-CB 3.39Å; M297-K301 PolarHBondContact O-N 3.3Å |
| 298 | W | 93.5 | Very high | 88.1 | Confident | 44 Ų | 44 | 85 Ų | 85 | 17% | 0.167 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 176.3 | -176 | 94.5 | 0 | 0 | 0 | 111.9 | K72 L76 T294 S295 Y296 K301 F302 I303 | K72-W298 HydrophobicContact CD-CZ2 4.26Å; K72-W298 HydrophobicContact CG-CZ2 3.62Å; K72-W298 PolarHBondContact O-NE1 2.73Å; L76-W298 HydrophobicContact CD1-CD2 3.95Å; L76-W298 HydrophobicContact CD1-CE3 4.21Å; L76-W298 HydrophobicContact CD1-CH2 3.75Å; L76-W298 HydrophobicContact CD1-CZ2 3.44Å; L76-W298 VanDerWaalsContact CD1-CZ2 3.44Å; L76-W298 HydrophobicContact CD1-CZ3 4.13Å; T294-W298 VanDerWaalsContact O-CB 3.31Å; T294-W298 WeakPolarHBondContact O-CB 3.27Å; T294-W298 PolarHBondContact O-N 2.92Å; S295-W298 PolarHBondContact O-N 3.24Å; Y296-W298 VanDerWaalsContact C-N 3.3Å; Y296-W298 PolarHBondContact O-N 3.04Å; W298-K301 PolarHBondContact O-N 2.83Å; W298-F302 AromaticContact CD1-CD2 3.62Å; W298-F302 AromaticContact CD1-CE2 3.79Å; W298-F302 HydrophobicContact CD2-CD2 4.23Å; W298-F302 AromaticContact CE2-CD2 4Å; W298-F302 HydrophobicContact CG-CD2 4Å; W298-F302 AromaticContact NE1-CD2 3.61Å; W298-F302 AromaticContact NE1-CE2 3.92Å; W298-F302 WeakPolarHBondContact O-CD2 3.13Å; W298-F302 PolarHBondContact O-N 3.18Å; W298-I303 HydrophobicContact CH2-CD1 4.4Å; W298-I303 HydrophobicContact CZ3-CD1 4.34Å; W298-I303 HydrophobicContact CZ3-CG1 4.08Å |
| 299 | Y | 92.2 | Very high | 87.6 | Confident | 122 Ų | 122 | 85.3 Ų | 85.3 | 48% | 0.478 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.6 | -46.2 | 177.4 | 175.6 | -98.3 | 0 | 0 | 0 | 112 | S295 Y296 K301 I303 K304 | S295-Y299 WeakPolarHBondContact O-CB 3.27Å; S295-Y299 PolarHBondContact O-N 3.45Å; Y296-Y299 PolarHBondContact O-N 2.99Å; Y299-K301 PolarHBondContact O-N 3.37Å; Y299-I303 HydrophobicContact CD2-CB 3.74Å; Y299-I303 HydrophobicContact CD2-CG1 3.75Å; Y299-I303 HydrophobicContact CD2-CG2 4.08Å; Y299-I303 HydrophobicContact CE2-CB 3.78Å; Y299-I303 HydrophobicContact CE2-CG1 4.13Å; Y299-I303 HydrophobicContact CE2-CG2 3.58Å; Y299-I303 HydrophobicContact CG-CB 4.4Å; Y299-I303 WeakPolarHBondContact O-CA 3.44Å; Y299-I303 VanDerWaalsContact O-CB 3.3Å; Y299-I303 WeakPolarHBondContact O-CB 3.21Å; Y299-I303 PolarHBondContact O-N 2.74Å; Y299-K304 HydrophobicContact CE1-CB 4.48Å; Y299-K304 PolarHBondContact O-N 3.25Å |
| 300 | A | 90.7 | Very high | 87.1 | Confident | 2 Ų | 2 | 87.7 Ų | 87.7 | 2% | 0.017 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y296 M297 K304 K305 I306 L308 | Y296-A300 WeakPolarHBondContact O-CB 3.3Å; Y296-A300 PolarHBondContact O-N 3.08Å; M297-A300 PolarHBondContact O-N 3.47Å; A300-K304 CarbonylContact O-C 3.57Å; A300-K305 PolarHBondContact O-N 2.98Å; A300-I306 HydrophobicContact CB-CD1 4.36Å; A300-I306 PolarHBondContact O-N 3.01Å; A300-L308 HydrophobicContact CB-CD1 4.24Å |
| 301 | K | 87.6 | Confident | 86.6 | Confident | 103 Ų | 103 | 88.2 Ų | 88.2 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67.7 | -51.5 | -179.7 | -169.6 | 171.9 | 175.8 | 177.7 | 0 | 112.8 | M297 W298 Y299 L308 | M297-K301 VanDerWaalsContact O-CB 3.32Å; M297-K301 WeakPolarHBondContact O-CB 3.39Å; M297-K301 PolarHBondContact O-N 3.3Å; W298-K301 PolarHBondContact O-N 2.83Å; Y299-K301 PolarHBondContact O-N 3.37Å; K301-L308 HydrophobicContact CB-CD1 3.74Å; K301-L308 HydrophobicContact CG-CD1 4.44Å |
| 302 | F | 87.3 | Confident | 86 | Confident | 37 Ų | 37 | 92.5 Ų | 92.5 | 16% | 0.162 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -100.7 | -24 | -166 | -66.2 | -70.3 | 0 | 0 | 0 | 114.7 | K72 L75 W298 | K72-F302 HydrophobicContact CB-CD1 3.93Å; K72-F302 HydrophobicContact CB-CD2 4.46Å; K72-F302 HydrophobicContact CB-CE1 3.84Å; K72-F302 HydrophobicContact CB-CE2 4.39Å; K72-F302 HydrophobicContact CB-CG 4.24Å; K72-F302 HydrophobicContact CB-CZ 4.08Å; K72-F302 HydrophobicContact CD-CB 4.33Å; K72-F302 HydrophobicContact CD-CD1 4.37Å; K72-F302 HydrophobicContact CD-CG 4.39Å; K72-F302 HydrophobicContact CG-CB 4.29Å; K72-F302 HydrophobicContact CG-CD1 4.08Å; K72-F302 HydrophobicContact CG-CD2 4.24Å; K72-F302 HydrophobicContact CG-CE1 4.45Å; K72-F302 HydrophobicContact CG-CG 3.95Å; L75-F302 HydrophobicContact CD1-CE2 3.82Å; L75-F302 HydrophobicContact CD1-CZ 3.94Å; W298-F302 AromaticContact CD1-CD2 3.62Å; W298-F302 AromaticContact CD1-CE2 3.79Å; W298-F302 HydrophobicContact CD2-CD2 4.23Å; W298-F302 AromaticContact CE2-CD2 4Å; W298-F302 HydrophobicContact CG-CD2 4Å; W298-F302 AromaticContact NE1-CD2 3.61Å; W298-F302 AromaticContact NE1-CE2 3.92Å; W298-F302 WeakPolarHBondContact O-CD2 3.13Å; W298-F302 PolarHBondContact O-N 3.18Å |
| 303 | I | 87.3 | Confident | 85.3 | Confident | 85 Ų | 85 | 94.4 Ų | 94.4 | 44% | 0.436 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102 | -56.6 | 179.5 | -53.4 | -59 | 0 | 0 | 0 | 110.4 | W298 Y299 K305 | W298-I303 HydrophobicContact CH2-CD1 4.4Å; W298-I303 HydrophobicContact CZ3-CD1 4.34Å; W298-I303 HydrophobicContact CZ3-CG1 4.08Å; Y299-I303 HydrophobicContact CD2-CB 3.74Å; Y299-I303 HydrophobicContact CD2-CG1 3.75Å; Y299-I303 HydrophobicContact CD2-CG2 4.08Å; Y299-I303 HydrophobicContact CE2-CB 3.78Å; Y299-I303 HydrophobicContact CE2-CG1 4.13Å; Y299-I303 HydrophobicContact CE2-CG2 3.58Å; Y299-I303 HydrophobicContact CG-CB 4.4Å; Y299-I303 WeakPolarHBondContact O-CA 3.44Å; Y299-I303 VanDerWaalsContact O-CB 3.3Å; Y299-I303 WeakPolarHBondContact O-CB 3.21Å; Y299-I303 PolarHBondContact O-N 2.74Å; I303-K305 PolarHBondContact O-N 3.11Å |
| 304 | K | 82.9 | Confident | 84.6 | Confident | 135 Ų | 135 | 97.3 Ų | 97.3 | 59% | 0.587 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -77.4 | -13.1 | -178.4 | -156.3 | 169.9 | 167.3 | -168.9 | 0 | 112.7 | Y299 A300 I306 | Y299-K304 HydrophobicContact CE1-CB 4.48Å; Y299-K304 PolarHBondContact O-N 3.25Å; A300-K304 CarbonylContact O-C 3.57Å; K304-I306 HydrophobicContact CB-CD1 4.25Å; K304-I306 HydrophobicContact CB-CG1 4.09Å; K304-I306 HydrophobicContact CD-CD1 3.52Å; K304-I306 HydrophobicContact CD-CG1 4.07Å; K304-I306 HydrophobicContact CG-CD1 3.92Å; K304-I306 HydrophobicContact CG-CG1 3.88Å; K304-I306 PolarHBondContact O-N 3.18Å; K304-I306 VanDerWaalsContact O-N 3.16Å |
| 305 | K | 78.3 | Confident | 83.8 | Confident | 173 Ų | 173 | 102.1 Ų | 102.1 | 75% | 0.752 | 47% | 0.466 | S | S | * | . | trans | 49.8 | 35.1 | -177.2 | -62 | -176.2 | -179.7 | -179.5 | 0 | 112.9 | A300 I303 K307 | A300-K305 PolarHBondContact O-N 2.98Å; I303-K305 PolarHBondContact O-N 3.11Å; K305-K307 PolarHBondContact O-N 3.34Å | ||
| 306 | I | 73.4 | Confident | 82.9 | Confident | 66 Ų | 66 | 106.3 Ų | 106.3 | 34% | 0.338 | 48% | 0.477 | S | S | . | . | trans | -68.4 | 128.3 | 170.9 | -63.2 | 174 | 0 | 0 | 0 | 106.3 | A300 K304 L308 | A300-I306 HydrophobicContact CB-CD1 4.36Å; A300-I306 PolarHBondContact O-N 3.01Å; K304-I306 HydrophobicContact CB-CD1 4.25Å; K304-I306 HydrophobicContact CB-CG1 4.09Å; K304-I306 HydrophobicContact CD-CD1 3.52Å; K304-I306 HydrophobicContact CD-CG1 4.07Å; K304-I306 HydrophobicContact CG-CD1 3.92Å; K304-I306 HydrophobicContact CG-CG1 3.88Å; K304-I306 PolarHBondContact O-N 3.18Å; K304-I306 VanDerWaalsContact O-N 3.16Å; I306-L308 VanDerWaalsContact C-N 3.29Å; I306-L308 PolarHBondContact O-N 3.24Å | ||
| 307 | K | 62.3 | Low | 81.9 | Confident | 209 Ų | 209 | 103 Ų | 103 | 91% | 0.909 | 47% | 0.469 | S | S | * | . | trans | -65.4 | 97.7 | 164 | -79.2 | -174.8 | 176.3 | -178.3 | 0 | 107 | K305 | K305-K307 PolarHBondContact O-N 3.34Š| ||
| 308 | L | 54.4 | Low | 80.9 | Confident | 153 Ų | 153 | 102.6 Ų | 102.6 | 80% | 0.801 | 46% | 0.463 | S | S | * | . | trans | -69.1 | 0 | 168.7 | -84 | 154 | 0 | 0 | 0 | 110.1 | A300 K301 I306 | A300-L308 HydrophobicContact CB-CD1 4.24Å; K301-L308 HydrophobicContact CB-CD1 3.74Å; K301-L308 HydrophobicContact CG-CD1 4.44Å; I306-L308 VanDerWaalsContact C-N 3.29Å; I306-L308 PolarHBondContact O-N 3.24Å |
Retrieved 308 of 308 residues in 575.6 ms
(Link to these results)