| 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 | 37.7 | Very low | 40.4 | Very low | 241 Ų | 241 | 149.3 Ų | 149.3 | 100% | 1.187 | 80% | 0.803 | S | S | * | * | 0 | 128.4 | 0 | -69.9 | 161.3 | 81.5 | 0 | 0 | 107.3 | |||||
| 2 | V | 34 | Very low | 40.3 | Very low | 131 Ų | 131 | 147.7 Ų | 147.7 | 79% | 0.794 | 81% | 0.807 | S | S | * | * | trans | -81.7 | 126.7 | 179.8 | -172.1 | 0 | 0 | 0 | 0 | 108 | V4 | V2-V4 HydrophobicContact CG1-CG2 3.63Š| ||
| 3 | L | 40.4 | Very low | 40.3 | Very low | 161 Ų | 161 | 144 Ų | 144 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -109.3 | 90.2 | 166.5 | -93.7 | 165.5 | 0 | 0 | 0 | 108.9 | ||||
| 4 | V | 39.5 | Very low | 39.7 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 62% | 0.618 | 80% | 0.795 | S | S | * | * | trans | -74 | 124.5 | 167.1 | -176.9 | 0 | 0 | 0 | 0 | 107.5 | V2 V6 | V2-V4 HydrophobicContact CG1-CG2 3.63Å; V4-V6 HydrophobicContact CG1-CB 4.5Å; V4-V6 HydrophobicContact CG1-CG2 3.71Å | ||
| 5 | H | 46.3 | Very low | 39 | Very low | 177 Ų | 177 | 142.9 Ų | 142.9 | 82% | 0.819 | 80% | 0.796 | S | S | * | * | trans | -116.5 | 102.2 | 158.6 | -105.3 | -81.2 | 0 | 0 | 0 | 109.4 | ||||
| 6 | V | 45.8 | Very low | 38.6 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -98.1 | 138.3 | 167.9 | 164.7 | 0 | 0 | 0 | 0 | 107.7 | V4 | V4-V6 HydrophobicContact CG1-CB 4.5Å; V4-V6 HydrophobicContact CG1-CG2 3.71Å | ||
| 7 | G | 37.6 | Very low | 38.5 | Very low | 60 Ų | 60 | 140.5 Ų | 140.5 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | trans | 118.2 | 143 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 8 | Y | 43.1 | Very low | 38.4 | Very low | 221 Ų | 221 | 144.6 Ų | 144.6 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | cis | -153.4 | 144.9 | -6.5 | -130.3 | -91.8 | 0 | 0 | 0 | 109 | ||||
| 9 | L | 39.8 | Very low | 38.1 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | -66.6 | 130.3 | 169.3 | -81.2 | 157.6 | 0 | 0 | 0 | 109.8 | ||||
| 10 | V | 43.7 | Very low | 37.9 | Very low | 132 Ų | 132 | 149 Ų | 149 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -133.8 | 94.2 | 160.5 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 11 | L | 36.6 | Very low | 37.5 | Very low | 137 Ų | 137 | 145.8 Ų | 145.8 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | trans | -87.2 | 133.4 | 160.6 | -71 | 165.7 | 0 | 0 | 0 | 108.3 | V13 | L11-V13 HydrophobicContact CB-CG2 4.29Å; L11-V13 PolarHBondContact O-N 3.36Å | ||
| 12 | P | 39.4 | Very low | 37.2 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 84% | 0.844 | 79% | 0.785 | S | S | * | * | trans | -77.3 | 115 | 162.7 | 30.2 | -29.7 | 0 | 0 | 0 | 109.5 | ||||
| 13 | V | 39.9 | Very low | 37.4 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 61% | 0.606 | 79% | 0.787 | S | S | * | * | trans | -117.4 | 152.2 | 169.5 | -170.4 | 0 | 0 | 0 | 0 | 108.6 | L11 | L11-V13 HydrophobicContact CB-CG2 4.29Å; L11-V13 PolarHBondContact O-N 3.36Å | ||
| 14 | F | 32.6 | Very low | 36.9 | Very low | 194 Ų | 194 | 143.5 Ų | 143.5 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | 91.2 | 103.8 | 170 | -56.7 | -71.1 | 0 | 0 | 0 | 118.2 | ||||
| 15 | G | 28.6 | Very low | 36.4 | Very low | 78 Ų | 78 | 143.4 Ų | 143.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | -137.6 | 47.7 | 159.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | V17 | G15-V17 PolarHBondContact O-N 2.6Š| ||
| 16 | S | 32.9 | Very low | 35.6 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -82.4 | 94.3 | -179.1 | -177.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 17 | V | 36.3 | Very low | 34.9 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -99.4 | 100.3 | 171.2 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | G15 N19 | G15-V17 PolarHBondContact O-N 2.6Å; V17-N19 PolarHBondContact O-N 3.11Å | ||
| 18 | R | 36.7 | Very low | 34.9 | Very low | 215 Ų | 215 | 149.5 Ų | 149.5 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -82.6 | 106.7 | 173.2 | -175.6 | 164.3 | 76.9 | -167.8 | 8 | 109.1 | ||||
| 19 | N | 32.8 | Very low | 34.3 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -101 | 113.4 | 175.2 | -145.8 | -6.6 | 0 | 0 | 0 | 111.3 | V17 | V17-N19 PolarHBondContact O-N 3.11Š| ||
| 20 | R | 34.1 | Very low | 34 | Very low | 221 Ų | 221 | 144 Ų | 144 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -101.5 | 120.8 | 175.3 | -90.9 | -174.2 | 170 | -172.7 | -3 | 109.2 | ||||
| 21 | G | 30.4 | Very low | 33.5 | Very low | 81 Ų | 81 | 146 Ų | 146 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | 67.7 | 111 | 141.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 22 | A | 31.2 | Very low | 33.2 | Very low | 101 Ų | 101 | 143.4 Ų | 143.4 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | trans | -134.4 | 126.4 | 139.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 23 | H | 37.3 | Very low | 33.1 | Very low | 181 Ų | 181 | 143.5 Ų | 143.5 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -69.6 | 151.5 | 168.3 | -88.4 | -129.1 | 0 | 0 | 0 | 109.9 | ||||
| 24 | F | 29.5 | Very low | 32.8 | Very low | 203 Ų | 203 | 143.8 Ų | 143.8 | 89% | 0.89 | 78% | 0.779 | S | S | * | * | -163.9 | 145.5 | 121.1 | -108.2 | -71.4 | 0 | 0 | 0 | 113.4 | |||||
| 25 | S | 30.2 | Very low | 33 | Very low | 100 Ų | 100 | 140.1 Ų | 140.1 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 5.9 | 112 | 177.8 | -63.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 26 | R | 29.3 | Very low | 33.2 | Very low | 193 Ų | 193 | 147.7 Ų | 147.7 | 73% | 0.728 | 78% | 0.78 | S | S | * | * | trans | -51.4 | 134.2 | 141.3 | 162 | -173.3 | -79.6 | -161.8 | 0.7 | 111.4 | Q28 | R26-Q28 HydrophobicContact CG-CG 3.91Š| ||
| 27 | H | 30.9 | Very low | 33.2 | Very low | 173 Ų | 173 | 151 Ų | 151 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | -121.9 | 117.6 | 142.6 | -110.5 | -80.7 | 0 | 0 | 0 | 108.8 | ||||
| 28 | Q | 36.5 | Very low | 32.9 | Very low | 128 Ų | 128 | 154.5 Ų | 154.5 | 60% | 0.598 | 79% | 0.788 | S | S | * | * | trans | -85.2 | 131.7 | 167.8 | -69.5 | 166 | -63.4 | 0 | 0 | 107.9 | R26 | R26-Q28 HydrophobicContact CG-CG 3.91Š| ||
| 29 | H | 32.3 | Very low | 32.7 | Very low | 178 Ų | 178 | 153 Ų | 153 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -144.6 | 154.4 | 143.2 | -79.1 | -58.7 | 0 | 0 | 0 | 109.6 | ||||
| 30 | S | 32.4 | Very low | 32.7 | Very low | 80 Ų | 80 | 154 Ų | 154 | 56% | 0.559 | 80% | 0.795 | S | S | * | * | trans | -119.8 | -175.8 | -154.9 | 34.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 31 | H | 33.8 | Very low | 32.3 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 80% | 0.796 | 79% | 0.794 | S | S | * | * | trans | 76.7 | 125.9 | 171.2 | -33.8 | -69.9 | 0 | 0 | 0 | 113.8 | ||||
| 32 | A | 31 | Very low | 32.6 | Very low | 83 Ų | 83 | 147.9 Ų | 147.9 | 69% | 0.686 | 79% | 0.791 | S | S | * | * | cis | 119.3 | 121.1 | 16.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 33 | T | 36.2 | Very low | 33.5 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | 52.6 | 112.2 | 147.7 | 53.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 34 | S | 34.3 | Very low | 33.2 | Very low | 106 Ų | 106 | 148.8 Ų | 148.8 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | 57.9 | 124.5 | 109 | -156.6 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 35 | C | 35.4 | Very low | 33.3 | Very low | 116 Ų | 116 | 143.2 Ų | 143.2 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | 54.5 | 117.9 | 147.2 | -69 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 36 | R | 33.9 | Very low | 33.9 | Very low | 237 Ų | 237 | 143.7 Ų | 143.7 | 89% | 0.894 | 78% | 0.78 | S | S | * | * | trans | -143.2 | 119.6 | 140.3 | -64 | -168 | 175.1 | -169.4 | -3.5 | 108.2 | ||||
| 37 | H | 31.7 | Very low | 33.9 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | 52.4 | 113.8 | 80.2 | -92.3 | -59.3 | 0 | 0 | 0 | 115 | |||||
| 38 | F | 29.9 | Very low | 33.6 | Very low | 207 Ų | 207 | 139.2 Ų | 139.2 | 91% | 0.908 | 78% | 0.784 | S | S | * | * | trans | -119.4 | 145.9 | 158.9 | -94.4 | -87.9 | 0 | 0 | 0 | 109.6 | ||||
| 39 | H | 33.1 | Very low | 33.5 | Very low | 183 Ų | 183 | 137.4 Ų | 137.4 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | trans | -127.2 | 155.8 | -179.1 | -131.1 | -125.4 | 0 | 0 | 0 | 110.1 | ||||
| 40 | L | 34.1 | Very low | 33.2 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 94% | 0.937 | 80% | 0.795 | S | S | * | * | trans | -75.9 | 158 | -170.6 | -68.6 | 156.9 | 0 | 0 | 0 | 113.8 | ||||
| 41 | G | 25.1 | Very low | 33.2 | Very low | 79 Ų | 79 | 143.6 Ų | 143.6 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | -150.6 | 111.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 42 | A | 35.8 | Very low | 33.6 | Very low | 94 Ų | 94 | 141.1 Ų | 141.1 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | trans | -111.3 | 176.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 43 | P | 50.5 | Low | 33.8 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 76% | 0.76 | 81% | 0.814 | S | S | * | * | -138.8 | -159.1 | 52.8 | 33.1 | -7.2 | 0 | 0 | 0 | 111.3 | |||||
| 44 | Q | 31.3 | Very low | 33.4 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | cis | -136.9 | -162.9 | 10.5 | -63.2 | -176.3 | -9.8 | 0 | 0 | 111.8 | ||||
| 45 | A | 31 | Very low | 33.3 | Very low | 86 Ų | 86 | 145.8 Ų | 145.8 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | -143.2 | -160.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 46 | P | 43 | Very low | 33.2 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 71% | 0.708 | 82% | 0.824 | S | S | * | * | cis | -139.2 | -157.9 | -7.3 | 34.9 | -10 | 0 | 0 | 0 | 114.4 | ||||
| 47 | I | 28.6 | Very low | 32.7 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | trans | 75.8 | 143.3 | 168.8 | 90.6 | 172.7 | 0 | 0 | 0 | 117.3 | ||||
| 48 | S | 25.4 | Very low | 32.7 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | cis | -150.3 | 173.5 | -1.7 | -130.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 49 | A | 34.1 | Very low | 32.6 | Very low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | -96.7 | 152.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 50 | E | 26.1 | Very low | 33.2 | Very low | 196 Ų | 196 | 132.6 Ų | 132.6 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -177.2 | 154.8 | 134.9 | -104.8 | 179.9 | 128.3 | 0 | 0 | 113 | ||||
| 51 | F | 32.8 | Very low | 33 | Very low | 193 Ų | 193 | 133.1 Ų | 133.1 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -87.9 | 160.2 | 170.3 | -106.8 | -90.3 | 0 | 0 | 0 | 110.2 | ||||
| 52 | P | 41.7 | Very low | 33.4 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | -148.2 | 168.8 | 110.6 | 33.7 | -15.8 | 0 | 0 | 0 | 116.5 | |||||
| 53 | L | 35.2 | Very low | 33.1 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -73.2 | 161.2 | 171.4 | -76.3 | 78.4 | 0 | 0 | 0 | 112.8 | ||||
| 54 | G | 27.7 | Very low | 32.3 | Very low | 76 Ų | 76 | 135.8 Ų | 135.8 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | trans | -151.5 | 142.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 55 | H | 32.9 | Very low | 32.3 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -98.7 | 179.4 | -170 | -75.8 | -82.5 | 0 | 0 | 0 | 114.9 | ||||
| 56 | A | 32.6 | Very low | 32.3 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | trans | -72.4 | 163.4 | -167.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 57 | G | 24.8 | Very low | 31.9 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | 157.8 | 144.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 58 | Q | 30.1 | Very low | 32.2 | Very low | 202 Ų | 202 | 134 Ų | 134 | 94% | 0.944 | 81% | 0.813 | S | S | * | * | cis | -151.9 | 164.9 | 16.5 | -86.2 | 164.8 | -34 | 0 | 0 | 112.8 | ||||
| 59 | L | 29 | Very low | 33.1 | Very low | 153 Ų | 153 | 133.6 Ų | 133.6 | 80% | 0.801 | 81% | 0.807 | S | S | * | * | trans | -64.1 | 176 | 162.7 | -93.5 | 145.4 | 0 | 0 | 0 | 111.8 | ||||
| 60 | P | 45.7 | Very low | 33.8 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | cis | -147.3 | 162.2 | 30.9 | 41.4 | -20.8 | 0 | 0 | 0 | 120 | ||||
| 61 | Q | 30.8 | Very low | 33.9 | Very low | 190 Ų | 190 | 129.8 Ų | 129.8 | 89% | 0.888 | 79% | 0.79 | S | S | * | * | trans | -142.3 | 152.9 | 131.2 | -102.6 | -169.9 | 11.8 | 0 | 0 | 109.8 | ||||
| 62 | A | 32.2 | Very low | 34.1 | Very low | 105 Ų | 105 | 129.2 Ų | 129.2 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | -123.4 | 154.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 63 | G | 30.2 | Very low | 33.5 | Very low | 71 Ų | 71 | 132.1 Ų | 132.1 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | trans | 146.3 | 72 | 164.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 64 | L | 34.2 | Very low | 33.9 | Very low | 170 Ų | 170 | 129.7 Ų | 129.7 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | trans | 38.9 | 109 | 138.8 | -51.3 | 177.3 | 0 | 0 | 0 | 118.9 | ||||
| 65 | A | 30.8 | Very low | 33.9 | Very low | 99 Ų | 99 | 132 Ų | 132 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 84.2 | 141.5 | 91.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 66 | A | 31.3 | Very low | 33.9 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 62% | 0.62 | 78% | 0.782 | S | S | * | * | cis | -169.5 | 175.9 | -11.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 67 | H | 33.9 | Very low | 33.9 | Very low | 165 Ų | 165 | 131.4 Ų | 131.4 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | 87.1 | 99.8 | 156.5 | -55.4 | -67.1 | 0 | 0 | 0 | 123.7 | ||||
| 68 | L | 35.2 | Very low | 34.1 | Very low | 160 Ų | 160 | 133 Ų | 133 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | 76.7 | 159.2 | 121 | -69 | 166.1 | 0 | 0 | 0 | 122.3 | |||||
| 69 | P | 43.5 | Very low | 34.6 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | trans | -112.4 | -157.4 | -153.6 | 46.8 | -35.7 | 0 | 0 | 0 | 112.5 | ||||
| 70 | P | 48.4 | Very low | 34.9 | Very low | 102 Ų | 102 | 130.3 Ų | 130.3 | 66% | 0.662 | 78% | 0.782 | S | S | * | * | cis | -148.4 | -171 | 8.4 | 39.7 | -14.8 | 0 | 0 | 0 | 120.1 | ||||
| 71 | T | 28.7 | Very low | 34.5 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 64% | 0.638 | 78% | 0.783 | S | S | * | * | trans | 67.4 | 119.2 | 144.8 | 52.4 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 72 | H | 37.1 | Very low | 35.1 | Very low | 180 Ų | 180 | 125.8 Ų | 125.8 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | 159 | 151.3 | 112.3 | -82.3 | -66.3 | 0 | 0 | 0 | 113.7 | |||||
| 73 | H | 29.8 | Very low | 35.5 | Very low | 181 Ų | 181 | 126.5 Ų | 126.5 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -92.3 | -178.9 | -176.6 | -70.6 | -95.1 | 0 | 0 | 0 | 112.3 | ||||
| 74 | P | 42.3 | Very low | 35.9 | Very low | 104 Ų | 104 | 132 Ų | 132 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | -138.6 | 176.3 | -53.7 | 42.3 | -26.6 | 0 | 0 | 0 | 114.5 | |||||
| 75 | T | 29.2 | Very low | 36 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 59.9 | 113.4 | 151.7 | -43.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 76 | L | 31.1 | Very low | 36.4 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | -168.8 | 122.5 | 115.5 | -100.1 | 173.7 | 0 | 0 | 0 | 112.8 | |||||
| 77 | T | 32.8 | Very low | 36.7 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 80% | 0.798 | 79% | 0.793 | S | S | * | * | trans | 21.4 | 111 | 157.2 | 45.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 78 | A | 30.4 | Very low | 37.3 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | -168 | 149.6 | 122.7 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 79 | L | 39.8 | Very low | 37.8 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -79.2 | 150.7 | -173.4 | -69.1 | 161.7 | 0 | 0 | 0 | 113.9 | ||||
| 80 | P | 36.3 | Very low | 38 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | -130.5 | 169.9 | 125.6 | 34.5 | -23.5 | 0 | 0 | 0 | 113.7 | |||||
| 81 | A | 37.5 | Very low | 38 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 154.6 | -166.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 82 | P | 41.8 | Very low | 39.1 | Very low | 118 Ų | 118 | 137 Ų | 137 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 148.2 | -179.9 | 31.9 | -35.7 | 0 | 0 | 0 | 113 | ||
| 83 | P | 40.8 | Very low | 40 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 156.3 | 167.7 | 32.8 | -34.3 | 0 | 0 | 0 | 111.1 | ||
| 84 | Q | 39.8 | Very low | 41.1 | Very low | 187 Ų | 187 | 134.4 Ų | 134.4 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 136.4 | -177.5 | -64.8 | -171.8 | -12.3 | 0 | 0 | 112.3 | ||
| 85 | F | 34.9 | Very low | 41.8 | Very low | 205 Ų | 205 | 133.8 Ų | 133.8 | 90% | 0.899 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 127.7 | 163.3 | -96.4 | -101.9 | 0 | 0 | 0 | 109.1 | ||
| 86 | Q | 39.4 | Very low | 43.2 | Very low | 182 Ų | 182 | 134.7 Ų | 134.7 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 122.1 | 168.3 | -73.3 | 176.3 | -19.5 | 0 | 0 | 109 | V88 | Q86-V88 PolarHBondContact O-N 3.19Š|
| 87 | D | 37.1 | Very low | 44.6 | Very low | 160 Ų | 160 | 129.9 Ų | 129.9 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 118.2 | 172.2 | -75.2 | -67 | 0 | 0 | 0 | 110.8 | P89 | D87-P89 WeakPolarHBondContact O-CD 3.27Š|
| 88 | V | 47.3 | Very low | 46 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -82 | 119.4 | 167.7 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | Q86 G90 | Q86-V88 PolarHBondContact O-N 3.19Å; V88-G90 PolarHBondContact O-N 3.45Å; V88-G90 VanDerWaalsContact O-N 3.11Å |
| 89 | P | 46.2 | Very low | 48.2 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 79% | 0.792 | 74% | 0.741 | S | S | * | * | trans | -70.6 | 110.6 | 179.4 | 27.5 | -33 | 0 | 0 | 0 | 110.6 | D87 | D87-P89 WeakPolarHBondContact O-CD 3.27Š| ||
| 90 | G | 47.4 | Very low | 50 | Low | 59 Ų | 59 | 128.1 Ų | 128.1 | 61% | 0.608 | 73% | 0.727 | S | S | * | * | trans | -65.8 | 152.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112 | V88 S92 | V88-G90 PolarHBondContact O-N 3.45Å; V88-G90 VanDerWaalsContact O-N 3.11Å; G90-S92 PolarHBondContact O-N 3.01Å | ||
| 91 | P | 47.6 | Very low | 51.9 | Low | 117 Ų | 117 | 128.4 Ų | 128.4 | 76% | 0.76 | 72% | 0.718 | S | S | * | * | trans | -68.9 | 126.2 | -172.6 | 27.4 | -34.4 | 0 | 0 | 0 | 112.3 | F93 | P91-F93 PolarHBondContact O-N 3.03Š| ||
| 92 | S | 53.2 | Low | 53.8 | Low | 109 Ų | 109 | 130.3 Ų | 130.3 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 35.6 | -174.6 | 50.1 | 0 | 0 | 0 | 0 | 115.1 | G90 | G90-S92 PolarHBondContact O-N 3.01Š|
| 93 | F | 54.7 | Low | 55.8 | Low | 169 Ų | 169 | 128.3 Ų | 128.3 | 74% | 0.741 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.3 | -4.9 | -170.9 | -116.6 | -90 | 0 | 0 | 0 | 115.8 | P91 | P91-F93 PolarHBondContact O-N 3.03Š|
| 94 | L | 54.3 | Low | 57.9 | Low | 136 Ų | 136 | 127.4 Ų | 127.4 | 71% | 0.712 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -78.9 | -34.3 | -178.2 | -65.4 | 174.9 | 0 | 0 | 0 | 115.8 | Q96 | L94-Q96 PolarHBondContact O-N 3.14Å |
| 95 | P | 56.7 | Low | 60.1 | Low | 91 Ų | 91 | 124.4 Ų | 124.4 | 59% | 0.591 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65.2 | -37 | 179.9 | -23.4 | 34.6 | 0 | 0 | 0 | 113.6 | H99 | P95-H99 WeakPolarHBondContact O-CB 3.13Å; P95-H99 PolarHBondContact O-N 2.74Å; P95-H99 VanDerWaalsContact O-N 3.12Å |
| 96 | Q | 59.1 | Low | 62.4 | Low | 143 Ų | 143 | 118.4 Ų | 118.4 | 67% | 0.668 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65 | -43.1 | -175.9 | -139 | 92.2 | 3 | 0 | 0 | 112.1 | L94 H99 Q100 | L94-Q96 PolarHBondContact O-N 3.14Å; Q96-H99 PolarHBondContact O-N 3.25Å; Q96-Q100 WeakPolarHBondContact O-CB 3.49Å; Q96-Q100 PolarHBondContact O-N 3.45Å |
| 97 | A | 60.2 | Low | 64.5 | Low | 54 Ų | 54 | 116.6 Ų | 116.6 | 45% | 0.446 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -67.4 | -44.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | Q100 Q101 | A97-Q100 PolarHBondContact O-N 3.18Å; A97-Q101 WeakPolarHBondContact O-CB 3.32Å; A97-Q101 PolarHBondContact O-N 2.84Å |
| 98 | L | 61.8 | Low | 66.8 | Low | 119 Ų | 119 | 113.5 Ų | 113.5 | 62% | 0.623 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.1 | -39.1 | 176 | -71.7 | 173.2 | 0 | 0 | 0 | 111.9 | Q101 Y102 | L98-Q101 PolarHBondContact O-N 3.39Å; L98-Y102 WeakPolarHBondContact O-CB 3.36Å; L98-Y102 PolarHBondContact O-N 2.97Å |
| 99 | H | 77.1 | Confident | 68.3 | Low | 117 Ų | 117 | 112 Ų | 112 | 54% | 0.542 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.1 | -43.5 | 174.9 | -173.4 | 68.4 | 0 | 0 | 0 | 112 | P95 Q96 Q101 Y102 L103 | P95-H99 WeakPolarHBondContact O-CB 3.13Å; P95-H99 PolarHBondContact O-N 2.74Å; P95-H99 VanDerWaalsContact O-N 3.12Å; Q96-H99 PolarHBondContact O-N 3.25Å; H99-Q101 PolarHBondContact O-N 3.45Å; H99-Y102 PolarHBondContact O-N 3.33Å; H99-L103 WeakPolarHBondContact O-CG 3.34Å; H99-L103 PolarHBondContact O-N 2.87Å |
| 100 | Q | 77.1 | Confident | 69.7 | Low | 133 Ų | 133 | 111.5 Ų | 111.5 | 62% | 0.621 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.6 | -39.4 | 176.6 | -172.1 | 161.7 | 49.6 | 0 | 0 | 112.1 | Q96 A97 L103 I104 | Q96-Q100 WeakPolarHBondContact O-CB 3.49Å; Q96-Q100 PolarHBondContact O-N 3.45Å; A97-Q100 PolarHBondContact O-N 3.18Å; Q100-L103 PolarHBondContact O-N 3.4Å; Q100-I104 HydrophobicContact CG-CD1 4.11Å; Q100-I104 WeakPolarHBondContact O-CD1 3.17Å; Q100-I104 VanDerWaalsContact O-CG1 3.29Å; Q100-I104 WeakPolarHBondContact O-CG1 3.5Å; Q100-I104 PolarHBondContact O-N 3.32Å; Q100-I104 VanDerWaalsContact O-N 3.07Å |
| 101 | Q | 76.1 | Confident | 70.9 | Confident | 131 Ų | 131 | 110.7 Ų | 110.7 | 61% | 0.612 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.9 | -39.2 | 176.1 | -165.8 | 171.6 | 9.2 | 0 | 0 | 112.2 | A97 L98 H99 I104 Q105 | A97-Q101 WeakPolarHBondContact O-CB 3.32Å; A97-Q101 PolarHBondContact O-N 2.84Å; L98-Q101 PolarHBondContact O-N 3.39Å; H99-Q101 PolarHBondContact O-N 3.45Å; Q101-I104 PolarHBondContact O-N 3.33Å; Q101-Q105 WeakPolarHBondContact O-CB 3.35Å; Q101-Q105 PolarHBondContact O-N 3.15Å |
| 102 | Y | 77.9 | Confident | 72.1 | Confident | 131 Ų | 131 | 110 Ų | 110 | 51% | 0.514 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.6 | -46.9 | 173.2 | 176.5 | -93 | 0 | 0 | 0 | 112.1 | L98 H99 I104 Q105 Q106 | L98-Y102 WeakPolarHBondContact O-CB 3.36Å; L98-Y102 PolarHBondContact O-N 2.97Å; H99-Y102 PolarHBondContact O-N 3.33Å; Y102-I104 PolarHBondContact O-N 3.12Å; Y102-Q105 PolarHBondContact O-N 3.46Å; Y102-Q106 VanDerWaalsContact CE1-OE1 3.24Å; Y102-Q106 WeakPolarHBondContact O-CB 3.38Å; Y102-Q106 PolarHBondContact O-N 2.99Å |
| 103 | L | 83.8 | Confident | 72.6 | Confident | 76 Ų | 76 | 110.3 Ų | 110.3 | 40% | 0.398 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 177.9 | -69.8 | 174 | 0 | 0 | 0 | 112.5 | H99 Q100 Q106 Q107 | H99-L103 WeakPolarHBondContact O-CG 3.34Å; H99-L103 PolarHBondContact O-N 2.87Å; Q100-L103 PolarHBondContact O-N 3.4Å; L103-Q106 PolarHBondContact O-N 3.27Å; L103-Q107 PolarHBondContact O-N 2.79Å; L103-Q107 VanDerWaalsContact O-N 3.07Å |
| 104 | I | 84.9 | Confident | 73 | Confident | 101 Ų | 101 | 111.4 Ų | 111.4 | 52% | 0.518 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 175.7 | -69.3 | 165.3 | 0 | 0 | 0 | 110.7 | Q100 Q101 Y102 Q107 L108 | Q100-I104 HydrophobicContact CG-CD1 4.11Å; Q100-I104 WeakPolarHBondContact O-CD1 3.17Å; Q100-I104 VanDerWaalsContact O-CG1 3.29Å; Q100-I104 WeakPolarHBondContact O-CG1 3.5Å; Q100-I104 PolarHBondContact O-N 3.32Å; Q100-I104 VanDerWaalsContact O-N 3.07Å; Q101-I104 PolarHBondContact O-N 3.33Å; Y102-I104 PolarHBondContact O-N 3.12Å; I104-Q107 PolarHBondContact O-N 3.24Å; I104-L108 HydrophobicContact CG2-CD1 4.41Å; I104-L108 PolarHBondContact O-N 3.11Å; I104-L108 VanDerWaalsContact O-N 3.11Å |
| 105 | Q | 85.6 | Confident | 73.5 | Confident | 124 Ų | 124 | 114 Ų | 114 | 58% | 0.579 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.3 | -39.6 | 176.9 | -175.5 | 162.1 | 53.8 | 0 | 0 | 112 | Q101 Y102 L108 I109 | Q101-Q105 WeakPolarHBondContact O-CB 3.35Å; Q101-Q105 PolarHBondContact O-N 3.15Å; Y102-Q105 PolarHBondContact O-N 3.46Å; Q105-L108 WeakPolarHBondContact O-CB 3.39Å; Q105-L108 PolarHBondContact O-N 3.12Å; Q105-I109 HydrophobicContact CG-CD1 4.14Å; Q105-I109 WeakPolarHBondContact O-CG1 3.42Å; Q105-I109 PolarHBondContact O-N 3.35Å; Q105-I109 VanDerWaalsContact O-N 3.1Å |
| 106 | Q | 82.9 | Confident | 73.6 | Confident | 79 Ų | 79 | 115.9 Ų | 115.9 | 37% | 0.369 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.2 | -44.2 | 178.1 | -166.1 | 162.8 | 20.6 | 0 | 0 | 112 | Y102 L103 L108 I109 E110 | Y102-Q106 VanDerWaalsContact CE1-OE1 3.24Å; Y102-Q106 WeakPolarHBondContact O-CB 3.38Å; Y102-Q106 PolarHBondContact O-N 2.99Å; L103-Q106 PolarHBondContact O-N 3.27Å; Q106-L108 VanDerWaalsContact C-N 3.32Å; Q106-L108 PolarHBondContact O-N 3.06Å; Q106-I109 PolarHBondContact O-N 2.79Å; Q106-E110 PolarHBondContact O-N 3.06Å |
| 107 | Q | 83.8 | Confident | 73.2 | Confident | 144 Ų | 144 | 113.9 Ų | 113.9 | 67% | 0.673 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.1 | -35.7 | 174.5 | -71.6 | -168.2 | 6.8 | 0 | 0 | 113.1 | L103 I104 E110 A111 | L103-Q107 PolarHBondContact O-N 2.79Å; L103-Q107 VanDerWaalsContact O-N 3.07Å; I104-Q107 PolarHBondContact O-N 3.24Å; Q107-E110 PolarHBondContact O-N 3.49Å; Q107-A111 VanDerWaalsContact O-CB 3.26Å; Q107-A111 WeakPolarHBondContact O-CB 3.28Å; Q107-A111 PolarHBondContact O-N 2.86Å |
| 108 | L | 86.1 | Confident | 72.5 | Confident | 95 Ų | 95 | 116.7 Ų | 116.7 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63 | -43.5 | 174.9 | -100 | 159.2 | 0 | 0 | 0 | 112.1 | I104 Q105 Q106 A111 Q112 | I104-L108 HydrophobicContact CG2-CD1 4.41Å; I104-L108 PolarHBondContact O-N 3.11Å; I104-L108 VanDerWaalsContact O-N 3.11Å; Q105-L108 WeakPolarHBondContact O-CB 3.39Å; Q105-L108 PolarHBondContact O-N 3.12Å; Q106-L108 VanDerWaalsContact C-N 3.32Å; Q106-L108 PolarHBondContact O-N 3.06Å; L108-A111 PolarHBondContact O-N 3.04Å; L108-Q112 WeakPolarHBondContact O-CG 3.38Å; L108-Q112 PolarHBondContact O-N 2.76Å |
| 109 | I | 77.2 | Confident | 71.5 | Confident | 101 Ų | 101 | 118.7 Ų | 118.7 | 52% | 0.518 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.6 | -44.6 | 177 | -67.1 | 164.4 | 0 | 0 | 0 | 110.6 | Q105 Q106 A111 Q112 H113 | Q105-I109 HydrophobicContact CG-CD1 4.14Å; Q105-I109 WeakPolarHBondContact O-CG1 3.42Å; Q105-I109 PolarHBondContact O-N 3.35Å; Q105-I109 VanDerWaalsContact O-N 3.1Å; Q106-I109 PolarHBondContact O-N 2.79Å; I109-A111 PolarHBondContact O-N 3.1Å; I109-Q112 PolarHBondContact O-N 3.24Å; I109-H113 PolarHBondContact O-N 2.92Å |
| 110 | E | 76.4 | Confident | 69.6 | Low | 113 Ų | 113 | 118.8 Ų | 118.8 | 53% | 0.528 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.7 | -39.3 | 176.4 | -71.5 | -179.5 | -174.1 | 0 | 0 | 112.6 | Q106 Q107 Q112 H113 R114 | Q106-E110 PolarHBondContact O-N 3.06Å; Q107-E110 PolarHBondContact O-N 3.49Å; E110-Q112 VanDerWaalsContact C-N 3.32Å; E110-Q112 PolarHBondContact O-N 3.43Å; E110-H113 PolarHBondContact O-N 3.24Å; E110-R114 PolarHBondContact O-N 2.87Å |
| 111 | A | 72.4 | Confident | 67.8 | Low | 41 Ų | 41 | 117.9 Ų | 117.9 | 34% | 0.339 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.9 | -24.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q107 L108 I109 R115 | Q107-A111 VanDerWaalsContact O-CB 3.26Å; Q107-A111 WeakPolarHBondContact O-CB 3.28Å; Q107-A111 PolarHBondContact O-N 2.86Å; L108-A111 PolarHBondContact O-N 3.04Å; I109-A111 PolarHBondContact O-N 3.1Å; A111-R115 PolarHBondContact O-NE 2.91Å; A111-R115 VanDerWaalsContact O-NE 3.15Å |
| 112 | Q | 71.8 | Confident | 66.1 | Low | 104 Ų | 104 | 123.2 Ų | 123.2 | 49% | 0.486 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -75.4 | -44.1 | 167.2 | -74.6 | 176.5 | -45.3 | 0 | 0 | 110.7 | L108 I109 E110 R114 R115 I116 | L108-Q112 WeakPolarHBondContact O-CG 3.38Å; L108-Q112 PolarHBondContact O-N 2.76Å; I109-Q112 PolarHBondContact O-N 3.24Å; E110-Q112 VanDerWaalsContact C-N 3.32Å; E110-Q112 PolarHBondContact O-N 3.43Å; Q112-R114 VanDerWaalsContact C-N 3.35Å; Q112-R114 PolarHBondContact O-N 3.34Å; Q112-R115 WeakPolarHBondContact O-CA 3.37Å; Q112-R115 PolarHBondContact O-N 2.95Å; Q112-I116 WeakPolarHBondContact O-CG1 3.48Å; Q112-I116 PolarHBondContact O-N 2.85Å |
| 113 | H | 64.2 | Low | 64.1 | Low | 115 Ų | 115 | 127.6 Ų | 127.6 | 53% | 0.532 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.2 | -40.4 | 178.8 | -161.1 | -116.7 | 0 | 0 | 0 | 112.4 | I109 E110 R115 I116 L117 | I109-H113 PolarHBondContact O-N 2.92Å; E110-H113 PolarHBondContact O-N 3.24Å; H113-R115 PolarHBondContact O-N 2.93Å; H113-I116 PolarHBondContact O-N 3.45Å; H113-L117 WeakPolarHBondContact CE1-CD1 3.46Å; H113-L117 PolarHBondContact O-N 3.23Å |
| 114 | R | 63.6 | Low | 61.6 | Low | 192 Ų | 192 | 130.9 Ų | 130.9 | 73% | 0.725 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -65 | -17.2 | 171.2 | -75.9 | -167.7 | -174.2 | -113.9 | 5.1 | 115 | E110 Q112 | E110-R114 PolarHBondContact O-N 2.87Å; Q112-R114 VanDerWaalsContact C-N 3.35Å; Q112-R114 PolarHBondContact O-N 3.34Å |
| 115 | R | 64.3 | Low | 59.3 | Low | 191 Ų | 191 | 133.5 Ų | 133.5 | 72% | 0.721 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -94.6 | -22 | 174.4 | -78.1 | -173.1 | -82.5 | -167.7 | -2.1 | 113.2 | A111 Q112 H113 | A111-R115 PolarHBondContact O-NE 2.91Å; A111-R115 VanDerWaalsContact O-NE 3.15Å; Q112-R115 WeakPolarHBondContact O-CA 3.37Å; Q112-R115 PolarHBondContact O-N 2.95Å; H113-R115 PolarHBondContact O-N 2.93Å |
| 116 | I | 60 | Low | 57.1 | Low | 130 Ų | 130 | 136 Ų | 136 | 67% | 0.667 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -89.2 | -32.2 | -179.4 | -66.1 | 163.9 | 0 | 0 | 0 | 111.4 | Q112 H113 P118 | Q112-I116 WeakPolarHBondContact O-CG1 3.48Å; Q112-I116 PolarHBondContact O-N 2.85Å; H113-I116 PolarHBondContact O-N 3.45Å; I116-P118 WeakPolarHBondContact O-CD 3.3Å |
| 117 | L | 49.8 | Very low | 54.6 | Low | 101 Ų | 101 | 143.6 Ų | 143.6 | 53% | 0.529 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -89.3 | 104.8 | 168.2 | -77.4 | 162.3 | 0 | 0 | 0 | 110 | H113 H119 | H113-L117 WeakPolarHBondContact CE1-CD1 3.46Å; H113-L117 PolarHBondContact O-N 3.23Å; L117-H119 PolarHBondContact O-N 2.82Å |
| 118 | P | 44.6 | Very low | 52.4 | Low | 113 Ų | 113 | 143.8 Ų | 143.8 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | trans | -60.9 | 138.6 | 164.2 | 28.4 | -33.6 | 0 | 0 | 0 | 108.3 | I116 S120 | I116-P118 WeakPolarHBondContact O-CD 3.3Å; P118-S120 PolarHBondContact O-N 3.25Å | ||
| 119 | H | 42 | Very low | 49.8 | Very low | 160 Ų | 160 | 145 Ų | 145 | 74% | 0.741 | 71% | 0.705 | S | S | * | * | trans | -53.1 | 112.9 | 179 | -72 | -78 | 0 | 0 | 0 | 110.7 | L117 S121 | L117-H119 PolarHBondContact O-N 2.82Å; H119-S121 VanDerWaalsContact C-N 3.26Å; H119-S121 PolarHBondContact O-N 2.91Å | ||
| 120 | S | 37.5 | Very low | 47.7 | Very low | 120 Ų | 120 | 147.7 Ų | 147.7 | 84% | 0.839 | 72% | 0.719 | S | S | * | * | trans | -65.4 | 92.8 | 165.2 | 46.9 | 0 | 0 | 0 | 0 | 107.9 | P118 R122 | P118-S120 PolarHBondContact O-N 3.25Å; S120-R122 PolarHBondContact O-N 3.47Å; S120-R122 VanDerWaalsContact O-N 3.09Å | ||
| 121 | S | 38.1 | Very low | 45.7 | Very low | 114 Ų | 114 | 149.7 Ų | 149.7 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -59.8 | 110.4 | -166.4 | 52.4 | 0 | 0 | 0 | 0 | 112.2 | H119 | H119-S121 VanDerWaalsContact C-N 3.26Å; H119-S121 PolarHBondContact O-N 2.91Å | ||
| 122 | R | 42.1 | Very low | 44.4 | Very low | 242 Ų | 242 | 151.7 Ų | 151.7 | 91% | 0.913 | 74% | 0.743 | S | S | * | * | trans | -120.6 | 130.3 | 161.1 | -127.4 | -178.3 | -173.4 | -142.4 | 0.4 | 108.8 | S120 | S120-R122 PolarHBondContact O-N 3.47Å; S120-R122 VanDerWaalsContact O-N 3.09Å | ||
| 123 | R | 35.9 | Very low | 42.5 | Very low | 224 Ų | 224 | 155.1 Ų | 155.1 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | 71.7 | 85.2 | -170.3 | -69 | -175.1 | 162.4 | -177.3 | -4.6 | 116.5 | ||||
| 124 | T | 31.3 | Very low | 41 | Very low | 145 Ų | 145 | 161.1 Ų | 161.1 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | -118.3 | 115.9 | 122.3 | -47.6 | 0 | 0 | 0 | 0 | 107 | |||||
| 125 | Q | 36.4 | Very low | 39.8 | Very low | 155 Ų | 155 | 160 Ų | 160 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | trans | -96.9 | 140.7 | 175.2 | -158 | 169.4 | -16.7 | 0 | 0 | 107.1 | ||||
| 126 | E | 38.1 | Very low | 38.2 | Very low | 176 Ų | 176 | 162.6 Ų | 162.6 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 60.1 | 105.8 | 175.5 | -54.8 | -157.9 | 125.9 | 0 | 0 | 119 | ||||
| 127 | R | 30.6 | Very low | 37 | Very low | 240 Ų | 240 | 161 Ų | 161 | 91% | 0.906 | 79% | 0.794 | S | S | * | * | -155.1 | 118.3 | 117.9 | -111 | 179.4 | -162.2 | 176.7 | 6.4 | 110.5 | P129 | R127-P129 WeakPolarHBondContact O-CD 3.39Š| |||
| 128 | I | 38.3 | Very low | 35.9 | Very low | 148 Ų | 148 | 159.7 Ų | 159.7 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 124.3 | 164.3 | -66.2 | 161.2 | 0 | 0 | 0 | 107.4 | L130 | I128-L130 HydrophobicContact CG2-CG 4.41Š|
| 129 | P | 31.8 | Very low | 35.6 | Very low | 121 Ų | 121 | 164.6 Ų | 164.6 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 123.1 | 155.9 | -2.4 | 23.1 | 0 | 0 | 0 | 108.8 | R127 | R127-P129 WeakPolarHBondContact O-CD 3.39Š|
| 130 | L | 31.7 | Very low | 34.9 | Very low | 157 Ų | 157 | 166.3 Ų | 166.3 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 163.1 | 170.9 | -73 | 163.3 | 0 | 0 | 0 | 111.4 | I128 | I128-L130 HydrophobicContact CG2-CG 4.41Š|
| 131 | N | 34.6 | Very low | 34.8 | Very low | 155 Ų | 155 | 171.2 Ų | 171.2 | 83% | 0.829 | 82% | 0.821 | S | S | * | * | trans | 89.6 | 151.5 | 159.1 | -94.3 | -2.5 | 0 | 0 | 0 | 120 | ||||
| 132 | P | 45.6 | Very low | 34.6 | Very low | 82 Ų | 82 | 171 Ų | 171 | 53% | 0.532 | 82% | 0.819 | S | S | . | * | -136.9 | -159.4 | -125 | 38 | -14.9 | 0 | 0 | 0 | 113.9 | |||||
| 133 | H | 32.4 | Very low | 34.4 | Very low | 177 Ų | 177 | 164.9 Ų | 164.9 | 82% | 0.819 | 81% | 0.811 | S | S | * | * | trans | 76.8 | 139.4 | -176.9 | -40.5 | -65.9 | 0 | 0 | 0 | 113 | ||||
| 134 | R | 33.3 | Very low | 34.5 | Very low | 240 Ų | 240 | 160.3 Ų | 160.3 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | cis | -149 | 147.7 | 25 | -141.8 | 179.3 | -148.3 | -172.4 | 5.8 | 111.3 | ||||
| 135 | L | 38.5 | Very low | 34.7 | Very low | 170 Ų | 170 | 161 Ų | 161 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -66.2 | 145 | 173.1 | -72.1 | 155.6 | 0 | 0 | 0 | 112.7 | ||||
| 136 | R | 30.3 | Very low | 34.5 | Very low | 244 Ų | 244 | 161.2 Ų | 161.2 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -151.1 | 123.7 | 134.9 | -117.1 | -168.1 | -170.7 | -95.3 | 3.9 | 111.2 | ||||
| 137 | S | 33.5 | Very low | 34.5 | Very low | 96 Ų | 96 | 158.4 Ų | 158.4 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -82.8 | 150.2 | 161.9 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 138 | G | 27.6 | Very low | 34.7 | Very low | 74 Ų | 74 | 152 Ų | 152 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | trans | -168.6 | 102.8 | 179 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 139 | Y | 38 | Very low | 34.5 | Very low | 216 Ų | 216 | 153.4 Ų | 153.4 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | -75 | 136.4 | 172.6 | -62.6 | -103.5 | 0 | 0 | 0 | 109.7 | ||||
| 140 | E | 27.9 | Very low | 34.8 | Very low | 196 Ų | 196 | 153 Ų | 153 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | -155.4 | 159.5 | 143.5 | -125.8 | 176.2 | 152.3 | 0 | 0 | 113 | ||||
| 141 | Y | 34 | Very low | 34.8 | Very low | 224 Ų | 224 | 153.4 Ų | 153.4 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -68.9 | 159.9 | -165.6 | -113.1 | -119.4 | 0 | 0 | 0 | 114.8 | ||||
| 142 | S | 34 | Very low | 34.8 | Very low | 109 Ų | 109 | 152 Ų | 152 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | -142.8 | 146.5 | 157.9 | -75.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 143 | P | 38.7 | Very low | 34.1 | Very low | 114 Ų | 114 | 157.1 Ų | 157.1 | 74% | 0.74 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 163.5 | -165.7 | -8.8 | 28 | 0 | 0 | 0 | 113.6 | ||
| 144 | P | 38.7 | Very low | 33.9 | Very low | 128 Ų | 128 | 157.7 Ų | 157.7 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 136 | -174.1 | 30.8 | -35 | 0 | 0 | 0 | 113 | ||
| 145 | I | 34.8 | Very low | 34.3 | Very low | 159 Ų | 159 | 151.2 Ų | 151.2 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 125 | 167.4 | -65.9 | 178.2 | 0 | 0 | 0 | 109.1 | ||
| 146 | H | 33.3 | Very low | 34 | Very low | 160 Ų | 160 | 154.9 Ų | 154.9 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 123.2 | 178.7 | 175.2 | -75.5 | 0 | 0 | 0 | 111.4 | ||
| 147 | V | 37.7 | Very low | 34.1 | Very low | 116 Ų | 116 | 153.8 Ų | 153.8 | 70% | 0.703 | 80% | 0.799 | S | S | * | * | trans | -105.4 | 115.8 | 177.5 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 148 | P | 34.2 | Very low | 34.1 | Very low | 106 Ų | 106 | 157.2 Ų | 157.2 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79 | 128.9 | 165.5 | -7.4 | 25.4 | 0 | 0 | 0 | 110.5 | ||
| 149 | Q | 34.2 | Very low | 34.3 | Very low | 178 Ų | 178 | 157.4 Ų | 157.4 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 164 | 171.9 | -89.8 | -147.4 | 7.8 | 0 | 0 | 112.4 | ||
| 150 | P | 38.1 | Very low | 34.3 | Very low | 112 Ų | 112 | 156.7 Ų | 156.7 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -86 | 152.8 | -158.7 | 33.7 | -36.2 | 0 | 0 | 0 | 114.3 | ||
| 151 | I | 31.4 | Very low | 34.4 | Very low | 166 Ų | 166 | 150.9 Ų | 150.9 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -108.3 | 126.9 | 165.3 | -65.6 | 177.6 | 0 | 0 | 0 | 109.3 | ||||
| 152 | T | 34.5 | Very low | 34.5 | Very low | 126 Ų | 126 | 146.1 Ų | 146.1 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | trans | -83.3 | 129.6 | -179.4 | 46.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 153 | Q | 31.4 | Very low | 34.4 | Very low | 188 Ų | 188 | 147.6 Ų | 147.6 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | -149.3 | 131.4 | 146 | -66.6 | -162.1 | 0.3 | 0 | 0 | 110.7 | ||||
| 154 | Q | 27.9 | Very low | 34.1 | Very low | 189 Ų | 189 | 152.6 Ų | 152.6 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -100.3 | -167.1 | 165.1 | -58.3 | -174.2 | -47.8 | 0 | 0 | 109.7 | ||||
| 155 | P | 42.4 | Very low | 33.7 | Very low | 105 Ų | 105 | 151.7 Ų | 151.7 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | -118.5 | 171.9 | -99.8 | 36.3 | -18.9 | 0 | 0 | 0 | 112.7 | |||||
| 156 | R | 32.3 | Very low | 33.6 | Very low | 247 Ų | 247 | 151.7 Ų | 151.7 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | trans | -137.1 | 124.4 | 156.6 | -77.1 | -160.2 | 171 | 167.4 | 0.1 | 112.8 | ||||
| 157 | Y | 32 | Very low | 33.6 | Very low | 221 Ų | 221 | 148.7 Ų | 148.7 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | -79.7 | 145 | 159.7 | -92.8 | -104.1 | 0 | 0 | 0 | 109.8 | ||||
| 158 | L | 32.8 | Very low | 33.9 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | 163.2 | 106.1 | 149.2 | -88.9 | 166.7 | 0 | 0 | 0 | 103.9 | ||||
| 159 | A | 33.1 | Very low | 33.8 | Very low | 79 Ų | 79 | 152.5 Ų | 152.5 | 65% | 0.653 | 80% | 0.8 | S | S | * | * | 81.6 | 135 | 74.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 160 | E | 36.1 | Very low | 34.1 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 94% | 0.935 | 80% | 0.796 | S | S | * | * | trans | 77.7 | 129.2 | 166.7 | -60.5 | 173.3 | -167.1 | 0 | 0 | 119.3 | ||||
| 161 | G | 31.9 | Very low | 34 | Very low | 74 Ų | 74 | 146.4 Ų | 146.4 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | trans | 71.6 | 90.5 | 149 | 0 | 0 | 0 | 0 | 0 | 119.1 | D163 | G161-D163 PolarHBondContact O-N 2.99Š| ||
| 162 | T | 35.1 | Very low | 34.1 | Very low | 125 Ų | 125 | 146.5 Ų | 146.5 | 77% | 0.767 | 80% | 0.798 | S | S | * | * | trans | -76.1 | 79.5 | 151.9 | 54.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 163 | D | 31.1 | Very low | 34.5 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | -71.4 | 124.9 | 167.5 | -172 | 25 | 0 | 0 | 0 | 109.4 | G161 | G161-D163 PolarHBondContact O-N 2.99Š| ||
| 164 | W | 32.5 | Very low | 34.7 | Very low | 220 Ų | 220 | 144.4 Ų | 144.4 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | trans | -108 | 49.2 | 179.7 | -76.8 | 104.9 | 0 | 0 | 0 | 110.4 | L166 | W164-L166 PolarHBondContact O-N 2.81Š| ||
| 165 | D | 31.2 | Very low | 35.4 | Very low | 109 Ų | 109 | 145 Ų | 145 | 58% | 0.583 | 79% | 0.791 | S | S | * | * | trans | -89 | 101.7 | 170.6 | -165.6 | 49 | 0 | 0 | 0 | 111.8 | S167 | D165-S167 PolarHBondContact O-N 2.91Å; D165-S167 VanDerWaalsContact OD2-CB 3.27Å; D165-S167 WeakPolarHBondContact OD2-CB 3.3Å; D165-S167 PolarHBondContact OD2-OG 3.15Å | ||
| 166 | L | 32.1 | Very low | 35 | Very low | 159 Ų | 159 | 149.5 Ų | 149.5 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -85.4 | 64 | 166.2 | -81.6 | 167.6 | 0 | 0 | 0 | 109.9 | W164 V168 | W164-L166 PolarHBondContact O-N 2.81Å; L166-V168 PolarHBondContact O-N 3.33Å; L166-V168 VanDerWaalsContact O-N 3.11Å | ||
| 167 | S | 33.1 | Very low | 35.1 | Very low | 96 Ų | 96 | 147 Ų | 147 | 67% | 0.671 | 80% | 0.795 | S | S | * | * | trans | -66.7 | 106.4 | 163.5 | -84.4 | 0 | 0 | 0 | 0 | 109.7 | D165 D169 | D165-S167 PolarHBondContact O-N 2.91Å; D165-S167 VanDerWaalsContact OD2-CB 3.27Å; D165-S167 WeakPolarHBondContact OD2-CB 3.3Å; D165-S167 PolarHBondContact OD2-OG 3.15Å; S167-D169 PolarHBondContact O-N 3.14Å | ||
| 168 | V | 44.1 | Very low | 35.3 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | -68.9 | 117.4 | 165.3 | 165.2 | 0 | 0 | 0 | 0 | 108.2 | L166 | L166-V168 PolarHBondContact O-N 3.33Å; L166-V168 VanDerWaalsContact O-N 3.11Å | ||
| 169 | D | 33.2 | Very low | 35.7 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | trans | -133.9 | 147.6 | 151.9 | -151.2 | -9.5 | 0 | 0 | 0 | 110.7 | S167 | S167-D169 PolarHBondContact O-N 3.14Š| ||
| 170 | A | 39.3 | Very low | 36.3 | Very low | 91 Ų | 91 | 150.3 Ų | 150.3 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -115.7 | 117 | -161.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 171 | G | 37.5 | Very low | 36.5 | Very low | 71 Ų | 71 | 146.2 Ų | 146.2 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | 135.3 | 111.9 | 156.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 172 | L | 32.8 | Very low | 37.2 | Very low | 168 Ų | 168 | 146.5 Ų | 146.5 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | -178.1 | 152.6 | 122.5 | -93.4 | 169.9 | 0 | 0 | 0 | 109 | |||||
| 173 | P | 43.5 | Very low | 38 | Very low | 110 Ų | 110 | 148.2 Ų | 148.2 | 71% | 0.714 | 78% | 0.776 | S | S | * | * | trans | -94.5 | 115.7 | -171.4 | 34.3 | -30.8 | 0 | 0 | 0 | 112.6 | ||||
| 174 | H | 34.6 | Very low | 38.7 | Very low | 161 Ų | 161 | 147.9 Ų | 147.9 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | trans | -123.5 | 124 | 165.3 | -80.6 | -14 | 0 | 0 | 0 | 111.9 | Y176 | H174-Y176 HydrophobicContact CB-CD2 4.39Å; H174-Y176 HydrophobicContact CB-CE2 3.95Å; H174-Y176 PolarHBondContact O-N 2.82Å; H174-Y176 VanDerWaalsContact O-N 3.14Å | ||
| 175 | Q | 42.8 | Very low | 39.2 | Very low | 202 Ų | 202 | 143.9 Ų | 143.9 | 94% | 0.944 | 76% | 0.756 | S | S | * | * | trans | -75.4 | 97.1 | -178.7 | -65.6 | 174.2 | -79.1 | 0 | 0 | 110.3 | ||||
| 176 | Y | 34.4 | Very low | 39.9 | Very low | 198 Ų | 198 | 144.7 Ų | 144.7 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | trans | -97 | 104.6 | 162.1 | -69.3 | -83.2 | 0 | 0 | 0 | 108.9 | H174 L178 | H174-Y176 HydrophobicContact CB-CD2 4.39Å; H174-Y176 HydrophobicContact CB-CE2 3.95Å; H174-Y176 PolarHBondContact O-N 2.82Å; H174-Y176 VanDerWaalsContact O-N 3.14Å; Y176-L178 VanDerWaalsContact C-N 3.33Å; Y176-L178 PolarHBondContact O-N 2.8Å | ||
| 177 | Q | 34.4 | Very low | 40.6 | Very low | 195 Ų | 195 | 145 Ų | 145 | 91% | 0.911 | 75% | 0.753 | S | S | * | * | trans | -77.4 | 85.4 | 178.5 | -168.2 | 166.9 | -12.4 | 0 | 0 | 109.6 | Q179 | Q177-Q179 PolarHBondContact O-N 3.18Å; Q177-Q179 VanDerWaalsContact O-N 3.15Å | ||
| 178 | L | 35.4 | Very low | 41.1 | Very low | 161 Ų | 161 | 150 Ų | 150 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | -58.6 | 114.8 | 174 | -95.3 | 163.6 | 0 | 0 | 0 | 110.3 | Y176 Q180 | Y176-L178 VanDerWaalsContact C-N 3.33Å; Y176-L178 PolarHBondContact O-N 2.8Å; L178-Q180 PolarHBondContact O-N 2.62Å | ||
| 179 | Q | 42.2 | Very low | 41.1 | Very low | 187 Ų | 187 | 150.3 Ų | 150.3 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 123.1 | 173.5 | -169.7 | 146.7 | -23 | 0 | 0 | 109.2 | Q177 L181 | Q177-Q179 PolarHBondContact O-N 3.18Å; Q177-Q179 VanDerWaalsContact O-N 3.15Å; Q179-L181 PolarHBondContact O-N 3.32Å |
| 180 | Q | 44.6 | Very low | 41.5 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 88% | 0.883 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 124.7 | -174 | -70.2 | -160.9 | -6.3 | 0 | 0 | 111.4 | L178 | L178-Q180 PolarHBondContact O-N 2.62Š|
| 181 | L | 41.5 | Very low | 41.7 | Very low | 114 Ų | 114 | 146.7 Ų | 146.7 | 60% | 0.597 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 136.4 | 179.1 | -139.9 | 139.7 | 0 | 0 | 0 | 109.4 | Q179 Q183 Y185 | Q179-L181 PolarHBondContact O-N 3.32Å; L181-Q183 PolarHBondContact O-N 3.47Å; L181-Y185 HydrophobicContact CD2-CG 4.31Å |
| 182 | P | 45.8 | Very low | 41.9 | Very low | 79 Ų | 79 | 148.7 Ų | 148.7 | 51% | 0.513 | 74% | 0.741 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 136.9 | -178.1 | -29 | 36.2 | 0 | 0 | 0 | 113.4 | H184 Y185 | P182-H184 PolarHBondContact O-N 3.32Å; P182-Y185 PolarHBondContact O-N 3.13Å |
| 183 | Q | 51.8 | Low | 42.6 | Very low | 161 Ų | 161 | 151.3 Ų | 151.3 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -55.2 | -25.7 | -166.6 | -70.6 | -174.4 | -20.7 | 0 | 0 | 115.5 | L181 Y185 Q186 | L181-Q183 PolarHBondContact O-N 3.47Å; Q183-Y185 PolarHBondContact O-N 3.47Å; Q183-Q186 PolarHBondContact O-N 3.44Å |
| 184 | H | 45.7 | Very low | 42.4 | Very low | 132 Ų | 132 | 153.9 Ų | 153.9 | 61% | 0.611 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -67.4 | -15.2 | -178 | 65.2 | -88.9 | 0 | 0 | 0 | 114.7 | P182 | P182-H184 PolarHBondContact O-N 3.32Š|
| 185 | Y | 43.1 | Very low | 42.9 | Very low | 137 Ų | 137 | 152.9 Ų | 152.9 | 54% | 0.537 | 74% | 0.739 | S | S | . | * | G | 310 helix | trans | -93.9 | -9.7 | 176.3 | -91.8 | -84 | 0 | 0 | 0 | 114.9 | L181 P182 Q183 H187 Y188 | L181-Y185 HydrophobicContact CD2-CG 4.31Å; P182-Y185 PolarHBondContact O-N 3.13Å; Q183-Y185 PolarHBondContact O-N 3.47Å; Y185-H187 VanDerWaalsContact C-N 3.31Å; Y185-H187 PolarHBondContact O-N 2.92Å; Y185-Y188 PolarHBondContact O-N 2.77Å |
| 186 | Q | 45.8 | Very low | 42.8 | Very low | 125 Ų | 125 | 152.5 Ų | 152.5 | 58% | 0.584 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -69.9 | -25.4 | -175.2 | -68.8 | -164.6 | -42.8 | 0 | 0 | 113.9 | Q183 Y188 A190 | Q183-Q186 PolarHBondContact O-N 3.44Å; Q186-Y188 VanDerWaalsContact C-N 3.29Å; Q186-Y188 PolarHBondContact O-N 3.31Å; Q186-A190 PolarHBondContact O-N 3.23Å |
| 187 | H | 46.9 | Very low | 42.9 | Very low | 167 Ų | 167 | 151.6 Ų | 151.6 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -73.6 | -15.1 | -178.1 | -63.5 | -67.5 | 0 | 0 | 0 | 114.7 | Y185 | Y185-H187 VanDerWaalsContact C-N 3.31Å; Y185-H187 PolarHBondContact O-N 2.92Å |
| 188 | Y | 44.7 | Very low | 43.1 | Very low | 201 Ų | 201 | 147.4 Ų | 147.4 | 79% | 0.788 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -99 | -10.6 | -179 | -74.1 | -78.4 | 0 | 0 | 0 | 114.5 | Y185 Q186 | Y185-Y188 PolarHBondContact O-N 2.77Å; Q186-Y188 VanDerWaalsContact C-N 3.29Å; Q186-Y188 PolarHBondContact O-N 3.31Å |
| 189 | L | 43.4 | Very low | 43.5 | Very low | 144 Ų | 144 | 151.8 Ų | 151.8 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120 | -0.4 | -177.7 | -65.5 | 177.6 | 0 | 0 | 0 | 114 | S191 | L189-S191 VanDerWaalsContact C-N 3.31Å; L189-S191 PolarHBondContact O-N 2.94Å |
| 190 | A | 41.2 | Very low | 43.4 | Very low | 78 Ų | 78 | 148.8 Ų | 148.8 | 65% | 0.645 | 72% | 0.723 | S | S | * | * | trans | -73.3 | 84.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q186 | Q186-A190 PolarHBondContact O-N 3.23Š| ||
| 191 | S | 44.5 | Very low | 43.5 | Very low | 100 Ų | 100 | 146.5 Ų | 146.5 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | trans | -54.2 | 134.5 | 157.9 | 38.2 | 0 | 0 | 0 | 0 | 108.4 | L189 R193 | L189-S191 VanDerWaalsContact C-N 3.31Å; L189-S191 PolarHBondContact O-N 2.94Å; S191-R193 PolarHBondContact O-N 3.38Å | ||
| 192 | P | 40.5 | Very low | 43.7 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 74% | 0.74 | 73% | 0.726 | S | S | * | * | trans | -56.2 | 118.7 | -178.9 | -25.6 | 34.2 | 0 | 0 | 0 | 109.4 | M194 | P192-M194 VanDerWaalsContact C-N 3.29Å; P192-M194 PolarHBondContact O-N 3.14Å | ||
| 193 | R | 47 | Very low | 43.7 | Very low | 222 Ų | 222 | 145.5 Ų | 145.5 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | trans | -67.8 | 93.4 | 179.7 | -168.8 | 174.2 | -174.4 | 147.3 | 1 | 107.6 | S191 H195 | S191-R193 PolarHBondContact O-N 3.38Å; R193-H195 VanDerWaalsContact C-N 3.34Å; R193-H195 PolarHBondContact O-CD2 2.82Å; R193-H195 PolarHBondContact O-N 3.39Å | ||
| 194 | M | 39.5 | Very low | 43.4 | Very low | 165 Ų | 165 | 141.4 Ų | 141.4 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | trans | -60.4 | 97 | 178.7 | -74.9 | -68.6 | -73.9 | 0 | 0 | 108.7 | P192 H196 | P192-M194 VanDerWaalsContact C-N 3.29Å; P192-M194 PolarHBondContact O-N 3.14Å; M194-H196 PolarHBondContact O-N 3.21Å | ||
| 195 | H | 45.3 | Very low | 43.3 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 65% | 0.648 | 73% | 0.729 | S | S | * | * | trans | -59.1 | 129.7 | 172.5 | -72 | -93.4 | 0 | 0 | 0 | 107.9 | R193 F197 | R193-H195 VanDerWaalsContact C-N 3.34Å; R193-H195 PolarHBondContact O-CD2 2.82Å; R193-H195 PolarHBondContact O-N 3.39Å; H195-F197 VanDerWaalsContact C-N 3.35Å; H195-F197 HydrophobicContact CB-CD2 4.32Å; H195-F197 HydrophobicContact CB-CE2 4.06Å; H195-F197 WeakPolarHBondContact O-CD2 3.35Å; H195-F197 PolarHBondContact O-N 2.78Å | ||
| 196 | H | 41.4 | Very low | 43.3 | Very low | 194 Ų | 194 | 142.2 Ų | 142.2 | 90% | 0.898 | 74% | 0.736 | S | S | * | * | trans | -61.9 | 98.6 | 170.4 | -91.7 | 57.8 | 0 | 0 | 0 | 108.4 | M194 | M194-H196 PolarHBondContact O-N 3.21Š| ||
| 197 | F | 36.1 | Very low | 43.5 | Very low | 178 Ų | 178 | 140.6 Ų | 140.6 | 78% | 0.781 | 74% | 0.735 | S | S | * | * | trans | -80.5 | 124.9 | 173.2 | -87.3 | -82.6 | 0 | 0 | 0 | 109.3 | H195 R199 | H195-F197 VanDerWaalsContact C-N 3.35Å; H195-F197 HydrophobicContact CB-CD2 4.32Å; H195-F197 HydrophobicContact CB-CE2 4.06Å; H195-F197 WeakPolarHBondContact O-CD2 3.35Å; H195-F197 PolarHBondContact O-N 2.78Å; F197-R199 PolarHBondContact O-N 3.15Å | ||
| 198 | P | 38.4 | Very low | 43.6 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -63.2 | 137.1 | 172 | 27.6 | -33.2 | 0 | 0 | 0 | 109.2 | N200 | P198-N200 VanDerWaalsContact C-N 3.35Å; P198-N200 PolarHBondContact O-N 2.88Å | ||
| 199 | R | 45 | Very low | 43.4 | Very low | 253 Ų | 253 | 134.6 Ų | 134.6 | 96% | 0.955 | 72% | 0.72 | S | S | * | * | trans | -66.8 | 86 | -175.9 | -172.4 | -172.9 | -169.8 | -153.9 | 5.4 | 111 | F197 | F197-R199 PolarHBondContact O-N 3.15Š| ||
| 200 | N | 40.3 | Very low | 43.6 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 66% | 0.663 | 72% | 0.715 | S | S | * | * | trans | -129.2 | 135.5 | 173.6 | -135 | 3.7 | 0 | 0 | 0 | 111.1 | P198 S202 | P198-N200 VanDerWaalsContact C-N 3.35Å; P198-N200 PolarHBondContact O-N 2.88Å; N200-S202 PolarHBondContact O-N 3.06Å | ||
| 201 | T | 45.8 | Very low | 44.1 | Very low | 140 Ų | 140 | 133.1 Ų | 133.1 | 86% | 0.859 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 27.6 | -156.6 | 45 | 0 | 0 | 0 | 0 | 115.7 | ||
| 202 | S | 45.5 | Very low | 44.3 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | -8.2 | -172.4 | -44.6 | 0 | 0 | 0 | 0 | 114.6 | N200 A204 | N200-S202 PolarHBondContact O-N 3.06Å; S202-A204 VanDerWaalsContact C-N 3.31Å; S202-A204 PolarHBondContact O-N 2.89Å |
| 203 | S | 46.6 | Very low | 44.6 | Very low | 73 Ų | 73 | 139.5 Ų | 139.5 | 51% | 0.51 | 70% | 0.701 | S | S | . | * | G | 310 helix | trans | -78.4 | -5.1 | -171.8 | 54 | 0 | 0 | 0 | 0 | 115.6 | Q205 V206 | S203-Q205 PolarHBondContact O-N 3.14Å; S203-V206 PolarHBondContact O-N 3.12Å; S203-V206 VanDerWaalsContact O-N 3.11Å |
| 204 | A | 45.8 | Very low | 44.8 | Very low | 75 Ų | 75 | 135.8 Ų | 135.8 | 62% | 0.62 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -59.4 | -22.2 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | S202 | S202-A204 VanDerWaalsContact C-N 3.31Å; S202-A204 PolarHBondContact O-N 2.89Å |
| 205 | Q | 42.9 | Very low | 45.3 | Very low | 174 Ų | 174 | 132.9 Ų | 132.9 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -82.3 | -21.7 | 178.4 | -63.9 | -140.6 | -14.3 | 0 | 0 | 114.5 | S203 | S203-Q205 PolarHBondContact O-N 3.14Š|
| 206 | V | 43.6 | Very low | 45.7 | Very low | 112 Ų | 112 | 133.3 Ų | 133.3 | 68% | 0.679 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -35.7 | -178.7 | -174.9 | 0 | 0 | 0 | 0 | 111.1 | S203 V208 H209 | S203-V206 PolarHBondContact O-N 3.12Å; S203-V206 VanDerWaalsContact O-N 3.11Å; V206-V208 PolarHBondContact O-N 3.02Å; V206-H209 PolarHBondContact O-N 2.81Å |
| 207 | V | 50 | Low | 46.3 | Very low | 91 Ų | 91 | 129.2 Ų | 129.2 | 55% | 0.552 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -65.7 | -24.8 | -178.2 | -175.4 | 0 | 0 | 0 | 0 | 112.5 | I211 | V207-I211 HydrophobicContact CG1-CD1 4.05Å; V207-I211 VanDerWaalsContact O-CD1 3.28Å; V207-I211 WeakPolarHBondContact O-CD1 3.15Å; V207-I211 WeakPolarHBondContact O-CG1 3.21Å |
| 208 | V | 48.4 | Very low | 47.1 | Very low | 101 Ų | 101 | 128.4 Ų | 128.4 | 61% | 0.612 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -76.4 | -25.3 | -176.6 | 179.9 | 0 | 0 | 0 | 0 | 113 | V206 | V206-V208 PolarHBondContact O-N 3.02Å |
| 209 | H | 41.1 | Very low | 47.8 | Very low | 140 Ų | 140 | 127.1 Ų | 127.1 | 65% | 0.648 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.9 | -42.3 | -174.5 | -158.4 | 77.4 | 0 | 0 | 0 | 112.7 | V206 I211 | V206-H209 PolarHBondContact O-N 2.81Å; H209-I211 PolarHBondContact O-N 3.1Å |
| 210 | E | 47.7 | Very low | 48.1 | Very low | 138 Ų | 138 | 118.8 Ų | 118.8 | 65% | 0.645 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.8 | -26.1 | -176.8 | -69.2 | -62.4 | 120.6 | 0 | 0 | 113.7 | R212 N213 | E210-R212 PolarHBondContact O-N 3.41Å; E210-N213 PolarHBondContact O-N 3.24Å |
| 211 | I | 50.4 | Low | 48.7 | Very low | 54 Ų | 54 | 118.2 Ų | 118.2 | 28% | 0.277 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -69.8 | -20 | -178.3 | -64.2 | 170.9 | 0 | 0 | 0 | 112.1 | V207 H209 N213 H220 | V207-I211 HydrophobicContact CG1-CD1 4.05Å; V207-I211 VanDerWaalsContact O-CD1 3.28Å; V207-I211 WeakPolarHBondContact O-CD1 3.15Å; V207-I211 WeakPolarHBondContact O-CG1 3.21Å; H209-I211 PolarHBondContact O-N 3.1Å; I211-N213 VanDerWaalsContact C-N 3.34Å; I211-N213 PolarHBondContact O-N 2.9Å; I211-H220 WeakPolarHBondContact CG2-ND1 3.12Å |
| 212 | R | 48 | Very low | 49.1 | Very low | 221 Ų | 221 | 116.7 Ų | 116.7 | 83% | 0.834 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -73.5 | -20.1 | -179.2 | -108.7 | -174.6 | -179.1 | -167.5 | 1.1 | 114.8 | E210 | E210-R212 PolarHBondContact O-N 3.41Š|
| 213 | N | 48 | Very low | 49.4 | Very low | 127 Ų | 127 | 113.7 Ų | 113.7 | 68% | 0.679 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -104 | 9.8 | -175.3 | -64.9 | -29.4 | 0 | 0 | 0 | 113.4 | E210 I211 | E210-N213 PolarHBondContact O-N 3.24Å; I211-N213 VanDerWaalsContact C-N 3.34Å; I211-N213 PolarHBondContact O-N 2.9Å |
| 214 | Y | 50.5 | Low | 49.7 | Very low | 143 Ų | 143 | 114.8 Ų | 114.8 | 56% | 0.561 | 59% | 0.59 | S | S | * | * | trans | -72.7 | 127.8 | -176.5 | -155.4 | -101.6 | 0 | 0 | 0 | 111.8 | Y216 L219 | Y214-Y216 PolarHBondContact O-N 3.43Å; Y214-L219 HydrophobicContact CE1-CB 4.23Å; Y214-L219 HydrophobicContact CE1-CD1 3.92Å | ||
| 215 | P | 51 | Low | 50 | Low | 105 Ų | 105 | 117.2 Ų | 117.2 | 68% | 0.682 | 59% | 0.588 | S | S | * | * | S | Bend | trans | -73.7 | -1.3 | -167.8 | 27 | -34.5 | 0 | 0 | 0 | 115.5 | ||
| 216 | Y | 53.2 | Low | 50.3 | Low | 149 Ų | 149 | 112.6 Ų | 112.6 | 58% | 0.584 | 58% | 0.575 | S | S | * | * | trans | -126.3 | 100.2 | -179.8 | -74.8 | -83.8 | 0 | 0 | 0 | 111.3 | Y214 Q218 L219 | Y214-Y216 PolarHBondContact O-N 3.43Å; Y216-Q218 PolarHBondContact O-N 3.15Å; Y216-L219 PolarHBondContact O-N 3.39Å | ||
| 217 | P | 54.9 | Low | 50.8 | Low | 108 Ų | 108 | 114.3 Ų | 114.3 | 70% | 0.701 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -20.5 | -175.6 | 26.3 | -34.6 | 0 | 0 | 0 | 113.6 | L219 H220 | P217-L219 VanDerWaalsContact C-N 3.3Å; P217-L219 PolarHBondContact O-N 3.33Å; P217-H220 VanDerWaalsContact O-CB 3.25Å; P217-H220 WeakPolarHBondContact O-CB 3.34Å; P217-H220 PolarHBondContact O-N 3.06Å |
| 218 | Q | 51.8 | Low | 50.9 | Low | 161 Ų | 161 | 113.9 Ų | 113.9 | 75% | 0.752 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -65.5 | -31 | 176.1 | -71 | 174.2 | -25.9 | 0 | 0 | 112.9 | Y216 H220 | Y216-Q218 PolarHBondContact O-N 3.15Å; Q218-H220 VanDerWaalsContact C-N 3.33Å |
| 219 | L | 52.3 | Low | 51.1 | Low | 81 Ų | 81 | 113.9 Ų | 113.9 | 42% | 0.424 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -82.6 | -11.4 | 179.7 | -65.9 | 172.7 | 0 | 0 | 0 | 113 | Y214 Y216 P217 L221 L222 A223 | Y214-L219 HydrophobicContact CE1-CB 4.23Å; Y214-L219 HydrophobicContact CE1-CD1 3.92Å; Y216-L219 PolarHBondContact O-N 3.39Å; P217-L219 VanDerWaalsContact C-N 3.3Å; P217-L219 PolarHBondContact O-N 3.33Å; L219-L221 VanDerWaalsContact C-N 3.27Å; L219-L221 PolarHBondContact O-N 3.26Å; L219-L222 HydrophobicContact CD2-CD2 4.39Å; L219-L222 PolarHBondContact O-N 3.11Å; L219-A223 PolarHBondContact O-N 3.47Å |
| 220 | H | 51.7 | Low | 51.5 | Low | 77 Ų | 77 | 111.7 Ų | 111.7 | 36% | 0.356 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.2 | -33.5 | 175.4 | -165.6 | 90.7 | 0 | 0 | 0 | 112.2 | I211 P217 Q218 A223 L224 | I211-H220 WeakPolarHBondContact CG2-ND1 3.12Å; P217-H220 VanDerWaalsContact O-CB 3.25Å; P217-H220 WeakPolarHBondContact O-CB 3.34Å; P217-H220 PolarHBondContact O-N 3.06Å; Q218-H220 VanDerWaalsContact C-N 3.33Å; H220-A223 PolarHBondContact O-N 3.02Å; H220-L224 WeakPolarHBondContact O-CG 3.33Å; H220-L224 PolarHBondContact O-N 3.42Å; H220-L224 VanDerWaalsContact O-N 3.12Å |
| 221 | L | 53.1 | Low | 51.6 | Low | 113 Ų | 113 | 114.1 Ų | 114.1 | 59% | 0.592 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.1 | -40.3 | 175.4 | -86.9 | 160 | 0 | 0 | 0 | 112.5 | L219 A223 L224 Q225 | L219-L221 VanDerWaalsContact C-N 3.27Å; L219-L221 PolarHBondContact O-N 3.26Å; L221-A223 VanDerWaalsContact C-N 3.35Å; L221-L224 PolarHBondContact O-N 3.12Å; L221-Q225 VanDerWaalsContact O-CG 3.28Å; L221-Q225 WeakPolarHBondContact O-CG 3.07Å; L221-Q225 PolarHBondContact O-N 3.42Å; L221-Q225 VanDerWaalsContact O-N 3.14Å |
| 222 | L | 54.3 | Low | 51.5 | Low | 107 Ų | 107 | 116.9 Ų | 116.9 | 56% | 0.56 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.6 | -40.5 | 173.7 | -83 | 75.8 | 0 | 0 | 0 | 111.1 | L219 L224 Q225 S226 | L219-L222 HydrophobicContact CD2-CD2 4.39Å; L219-L222 PolarHBondContact O-N 3.11Å; L222-L224 VanDerWaalsContact C-N 3.35Å; L222-L224 PolarHBondContact O-N 3.4Å; L222-Q225 PolarHBondContact O-N 2.94Å; L222-S226 PolarHBondContact O-N 3.07Å |
| 223 | A | 52.1 | Low | 51.5 | Low | 37 Ų | 37 | 109.6 Ų | 109.6 | 31% | 0.306 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.2 | -40.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L219 H220 L221 S226 | L219-A223 PolarHBondContact O-N 3.47Å; H220-A223 PolarHBondContact O-N 3.02Å; L221-A223 VanDerWaalsContact C-N 3.35Å; A223-S226 WeakPolarHBondContact O-CB 3.47Å; A223-S226 PolarHBondContact O-N 3.22Å; A223-S226 PolarHBondContact O-OG 3.38Å |
| 224 | L | 52.7 | Low | 51.8 | Low | 96 Ų | 96 | 106.8 Ų | 106.8 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -73.7 | -24.9 | 177.4 | -66.4 | 169.4 | 0 | 0 | 0 | 113.3 | H220 L221 L222 S226 | H220-L224 WeakPolarHBondContact O-CG 3.33Å; H220-L224 PolarHBondContact O-N 3.42Å; H220-L224 VanDerWaalsContact O-N 3.12Å; L221-L224 PolarHBondContact O-N 3.12Å; L222-L224 VanDerWaalsContact C-N 3.35Å; L222-L224 PolarHBondContact O-N 3.4Å; L224-S226 VanDerWaalsContact C-N 3.27Å; L224-S226 PolarHBondContact O-N 3.14Å |
| 225 | Q | 52.5 | Low | 52 | Low | 126 Ų | 126 | 102.4 Ų | 102.4 | 59% | 0.589 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.6 | -17.5 | 172.9 | -71.9 | 167.9 | -3 | 0 | 0 | 113.1 | L221 L222 L227 | L221-Q225 VanDerWaalsContact O-CG 3.28Å; L221-Q225 WeakPolarHBondContact O-CG 3.07Å; L221-Q225 PolarHBondContact O-N 3.42Å; L221-Q225 VanDerWaalsContact O-N 3.14Å; L222-Q225 PolarHBondContact O-N 2.94Å; Q225-L227 PolarHBondContact O-N 3.23Å; Q225-L227 VanDerWaalsContact O-N 3.13Å |
| 226 | S | 49.9 | Very low | 52.1 | Low | 78 Ų | 78 | 101 Ų | 101 | 55% | 0.545 | 55% | 0.548 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -11.8 | -179.4 | 73.8 | 0 | 0 | 0 | 0 | 115.3 | L222 A223 L224 N228 | L222-S226 PolarHBondContact O-N 3.07Å; A223-S226 WeakPolarHBondContact O-CB 3.47Å; A223-S226 PolarHBondContact O-N 3.22Å; A223-S226 PolarHBondContact O-OG 3.38Å; L224-S226 VanDerWaalsContact C-N 3.27Å; L224-S226 PolarHBondContact O-N 3.14Å; S226-N228 PolarHBondContact O-N 3.34Å |
| 227 | L | 53.5 | Low | 52.4 | Low | 147 Ų | 147 | 101.6 Ų | 101.6 | 77% | 0.77 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | 0.8 | -179.7 | -66 | 173.2 | 0 | 0 | 0 | 114.4 | Q225 | Q225-L227 PolarHBondContact O-N 3.23Å; Q225-L227 VanDerWaalsContact O-N 3.13Å |
| 228 | N | 51.6 | Low | 52.5 | Low | 82 Ų | 82 | 102.2 Ų | 102.2 | 44% | 0.439 | 54% | 0.543 | S | S | . | . | trans | -136.7 | 92.7 | 179.2 | -152 | -51.6 | 0 | 0 | 0 | 112.3 | S226 S230 R231 | S226-N228 PolarHBondContact O-N 3.34Å; N228-S230 PolarHBondContact O-N 3.47Å; N228-S230 VanDerWaalsContact O-N 3.12Å; N228-R231 PolarHBondContact O-N 3.23Å; N228-R231 VanDerWaalsContact O-N 3.15Å | ||
| 229 | P | 51.9 | Low | 53.5 | Low | 101 Ų | 101 | 97.1 Ų | 97.1 | 66% | 0.656 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -54.6 | -35.8 | -173.8 | -27.6 | 34.9 | 0 | 0 | 0 | 114.1 | R231 H232 A233 | P229-R231 VanDerWaalsContact C-N 3.29Å; P229-R231 PolarHBondContact O-N 3.42Å; P229-H232 PolarHBondContact O-N 2.93Å; P229-A233 PolarHBondContact O-N 3.39Å |
| 230 | S | 50.8 | Low | 54.6 | Low | 94 Ų | 94 | 100.1 Ų | 100.1 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70 | -21.1 | -175.4 | -46.4 | 0 | 0 | 0 | 0 | 114.2 | N228 T234 | N228-S230 PolarHBondContact O-N 3.47Å; N228-S230 VanDerWaalsContact O-N 3.12Å; S230-T234 PolarHBondContact O-OG1 2.84Å |
| 231 | R | 49.7 | Very low | 56 | Low | 189 Ų | 189 | 99.9 Ų | 99.9 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -92.4 | -24.1 | 175.9 | -68.6 | -171.1 | 174.7 | -159.2 | -2.6 | 113 | N228 P229 T234 A235 | N228-R231 PolarHBondContact O-N 3.23Å; N228-R231 VanDerWaalsContact O-N 3.15Å; P229-R231 VanDerWaalsContact C-N 3.29Å; P229-R231 PolarHBondContact O-N 3.42Å; R231-T234 PolarHBondContact O-OG1 3.13Å; R231-A235 WeakPolarHBondContact O-CB 3.34Å; R231-A235 PolarHBondContact O-N 3.29Å |
| 232 | H | 47.4 | Very low | 57.2 | Low | 113 Ų | 113 | 100.3 Ų | 100.3 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.6 | -40.5 | 177.9 | -169.5 | -86.9 | 0 | 0 | 0 | 111.4 | P229 T234 V236 | P229-H232 PolarHBondContact O-N 2.93Å; H232-T234 PolarHBondContact O-N 2.92Å; H232-V236 WeakPolarHBondContact O-CB 3.47Å; H232-V236 WeakPolarHBondContact O-CG2 3.39Å; H232-V236 PolarHBondContact O-N 2.82Å |
| 233 | A | 49.4 | Very low | 58.3 | Low | 67 Ų | 67 | 100.5 Ų | 100.5 | 55% | 0.554 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | P229 R237 | P229-A233 PolarHBondContact O-N 3.39Å; A233-R237 WeakPolarHBondContact O-CB 3.37Å; A233-R237 PolarHBondContact O-N 3.1Å |
| 234 | T | 53.8 | Low | 59.3 | Low | 68 Ų | 68 | 102.2 Ų | 102.2 | 42% | 0.417 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73 | -47.8 | 174.9 | 34.2 | 0 | 0 | 0 | 0 | 112.5 | S230 R231 H232 V236 R237 E238 | S230-T234 PolarHBondContact O-OG1 2.84Å; R231-T234 PolarHBondContact O-OG1 3.13Å; H232-T234 PolarHBondContact O-N 2.92Å; T234-V236 PolarHBondContact O-N 2.74Å; T234-R237 CarbonylContact O-C 3.57Å; T234-R237 WeakPolarHBondContact O-CB 3.34Å; T234-R237 PolarHBondContact O-N 2.62Å; T234-R237 VanDerWaalsContact O-N 3.11Å; T234-E238 WeakPolarHBondContact O-CB 3.35Å; T234-E238 VanDerWaalsContact O-CG 3.28Å; T234-E238 WeakPolarHBondContact O-CG 3.47Å; T234-E238 PolarHBondContact O-N 3.39Å |
| 235 | A | 54.3 | Low | 60.6 | Low | 51 Ų | 51 | 103.1 Ų | 103.1 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R231 S239 | R231-A235 WeakPolarHBondContact O-CB 3.34Å; R231-A235 PolarHBondContact O-N 3.29Å; A235-S239 PolarHBondContact O-N 2.88Å; A235-S239 VanDerWaalsContact O-N 3.1Å; A235-S239 PolarHBondContact O-OG 2.95Å |
| 236 | V | 53.8 | Low | 61.5 | Low | 75 Ų | 75 | 100.6 Ų | 100.6 | 46% | 0.455 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.2 | -35.3 | 174.2 | 175 | 0 | 0 | 0 | 0 | 111.4 | H232 T234 S239 Y240 | H232-V236 WeakPolarHBondContact O-CB 3.47Å; H232-V236 WeakPolarHBondContact O-CG2 3.39Å; H232-V236 PolarHBondContact O-N 2.82Å; T234-V236 PolarHBondContact O-N 2.74Å; V236-S239 WeakPolarHBondContact CA-OG 3.46Å; V236-S239 PolarHBondContact O-OG 2.82Å; V236-S239 VanDerWaalsContact O-OG 3.12Å; V236-Y240 WeakPolarHBondContact O-CB 3.34Å; V236-Y240 PolarHBondContact O-N 3.25Å |
| 237 | R | 58.3 | Low | 62.5 | Low | 162 Ų | 162 | 103.4 Ų | 103.4 | 61% | 0.611 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.9 | -44.5 | 174 | 179.8 | 175 | 176.5 | 139 | 10.2 | 112.4 | A233 T234 Y240 E241 | A233-R237 WeakPolarHBondContact O-CB 3.37Å; A233-R237 PolarHBondContact O-N 3.1Å; T234-R237 CarbonylContact O-C 3.57Å; T234-R237 WeakPolarHBondContact O-CB 3.34Å; T234-R237 PolarHBondContact O-N 2.62Å; T234-R237 VanDerWaalsContact O-N 3.11Å; R237-Y240 PolarHBondContact O-N 3.01Å; R237-E241 HydrophobicContact CG-CG 4.34Å; R237-E241 WeakPolarHBondContact CG-OE1 3.45Å; R237-E241 IonicContact CZ-OE1 3.34Å; R237-E241 IonicContact NE-OE1 2.74Å; R237-E241 PolarHBondContact NE-OE1 2.59Å; R237-E241 IonicContact NH2-OE1 3.03Å; R237-E241 PolarHBondContact NH2-OE1 3.15Å; R237-E241 WeakPolarHBondContact O-CB 3.46Å; R237-E241 WeakPolarHBondContact O-CG 3.18Å; R237-E241 PolarHBondContact O-N 2.83Å |
| 238 | E | 57.5 | Low | 63.3 | Low | 121 Ų | 121 | 103.2 Ų | 103.2 | 57% | 0.565 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.6 | -43.7 | 178.2 | -74.8 | 162.8 | -170.9 | 0 | 0 | 111.1 | T234 E241 E242 | T234-E238 WeakPolarHBondContact O-CB 3.35Å; T234-E238 VanDerWaalsContact O-CG 3.28Å; T234-E238 WeakPolarHBondContact O-CG 3.47Å; T234-E238 PolarHBondContact O-N 3.39Å; E238-E241 PolarHBondContact O-N 3.46Å; E238-E242 WeakPolarHBondContact O-CB 3.44Å; E238-E242 PolarHBondContact O-N 3.4Å |
| 239 | S | 73.7 | Confident | 64.2 | Low | 55 Ų | 55 | 109 Ų | 109 | 39% | 0.385 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.5 | -30.5 | 174.8 | 50 | 0 | 0 | 0 | 0 | 113.9 | A235 V236 L243 | A235-S239 PolarHBondContact O-N 2.88Å; A235-S239 VanDerWaalsContact O-N 3.1Å; A235-S239 PolarHBondContact O-OG 2.95Å; V236-S239 WeakPolarHBondContact CA-OG 3.46Å; V236-S239 PolarHBondContact O-OG 2.82Å; V236-S239 VanDerWaalsContact O-OG 3.12Å; S239-L243 VanDerWaalsContact O-CG 3.3Å; S239-L243 WeakPolarHBondContact O-CG 3.35Å; S239-L243 PolarHBondContact O-N 3.17Å |
| 240 | Y | 75.4 | Confident | 64.9 | Low | 143 Ų | 143 | 109.4 Ų | 109.4 | 56% | 0.561 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -73.9 | -40 | 171.6 | -178.3 | -111.7 | 0 | 0 | 0 | 112.5 | V236 R237 E242 L243 L244 | V236-Y240 WeakPolarHBondContact O-CB 3.34Å; V236-Y240 PolarHBondContact O-N 3.25Å; R237-Y240 PolarHBondContact O-N 3.01Å; Y240-E242 VanDerWaalsContact C-N 3.31Å; Y240-E242 PolarHBondContact O-N 3.25Å; Y240-L243 PolarHBondContact O-N 3.19Å; Y240-L244 HydrophobicContact CD1-CD1 3.86Å; Y240-L244 HydrophobicContact CE1-CD1 3.42Å; Y240-L244 VanDerWaalsContact CE1-CD1 3.42Å; Y240-L244 HydrophobicContact CE1-CG 4.2Å; Y240-L244 HydrophobicContact CE2-CG 4.45Å; Y240-L244 PolarHBondContact O-N 3.07Å |
| 241 | E | 79.6 | Confident | 65.2 | Low | 72 Ų | 72 | 106.9 Ų | 106.9 | 34% | 0.336 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.5 | -35 | 172.7 | -74.5 | 178.6 | -172 | 0 | 0 | 111.1 | R237 E238 Q245 | R237-E241 HydrophobicContact CG-CG 4.34Å; R237-E241 WeakPolarHBondContact CG-OE1 3.45Å; R237-E241 IonicContact CZ-OE1 3.34Å; R237-E241 IonicContact NE-OE1 2.74Å; R237-E241 PolarHBondContact NE-OE1 2.59Å; R237-E241 IonicContact NH2-OE1 3.03Å; R237-E241 PolarHBondContact NH2-OE1 3.15Å; R237-E241 WeakPolarHBondContact O-CB 3.46Å; R237-E241 WeakPolarHBondContact O-CG 3.18Å; R237-E241 PolarHBondContact O-N 2.83Å; E238-E241 PolarHBondContact O-N 3.46Å; E241-Q245 WeakPolarHBondContact O-CB 3.24Å; E241-Q245 WeakPolarHBondContact O-CG 3.42Å; E241-Q245 PolarHBondContact O-N 3.34Å; E241-Q245 PolarHBondContact O-NE2 3.27Å |
| 242 | E | 78.8 | Confident | 65.3 | Low | 123 Ų | 123 | 103.2 Ų | 103.2 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -66.6 | -41 | 171.3 | -171.7 | 173.9 | -160.2 | 0 | 0 | 112 | E238 Y240 Q245 L246 | E238-E242 WeakPolarHBondContact O-CB 3.44Å; E238-E242 PolarHBondContact O-N 3.4Å; Y240-E242 VanDerWaalsContact C-N 3.31Å; Y240-E242 PolarHBondContact O-N 3.25Å; E242-Q245 PolarHBondContact O-N 3.36Å; E242-L246 VanDerWaalsContact O-CG 3.3Å; E242-L246 WeakPolarHBondContact O-CG 3.46Å; E242-L246 PolarHBondContact O-N 3.48Å |
| 243 | L | 76.8 | Confident | 65.9 | Low | 110 Ų | 110 | 101 Ų | 101 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.7 | -41.2 | 174.8 | -75.9 | 167.9 | 0 | 0 | 0 | 112.7 | S239 Y240 L246 E247 | S239-L243 VanDerWaalsContact O-CG 3.3Å; S239-L243 WeakPolarHBondContact O-CG 3.35Å; S239-L243 PolarHBondContact O-N 3.17Å; Y240-L243 PolarHBondContact O-N 3.19Å; L243-L246 HydrophobicContact CD2-CD1 4.46Å; L243-L246 WeakPolarHBondContact O-CB 3.24Å; L243-L246 PolarHBondContact O-N 3.48Å; L243-E247 PolarHBondContact O-N 3.39Å |
| 244 | L | 74.2 | Confident | 66.2 | Low | 73 Ų | 73 | 102.5 Ų | 102.5 | 38% | 0.382 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 173 | -78.3 | 168 | 0 | 0 | 0 | 111.9 | Y240 L246 E247 D248 | Y240-L244 HydrophobicContact CD1-CD1 3.86Å; Y240-L244 HydrophobicContact CE1-CD1 3.42Å; Y240-L244 VanDerWaalsContact CE1-CD1 3.42Å; Y240-L244 HydrophobicContact CE1-CG 4.2Å; Y240-L244 HydrophobicContact CE2-CG 4.45Å; Y240-L244 PolarHBondContact O-N 3.07Å; L244-L246 VanDerWaalsContact C-N 3.29Å; L244-L246 PolarHBondContact O-N 3.31Å; L244-E247 PolarHBondContact O-N 3.27Å; L244-D248 WeakPolarHBondContact O-CB 3.28Å; L244-D248 PolarHBondContact O-N 2.94Å |
| 245 | Q | 79.6 | Confident | 67.3 | Low | 116 Ų | 116 | 107.2 Ų | 107.2 | 54% | 0.542 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.4 | -32.3 | 173.6 | -73.6 | 167.5 | 47.7 | 0 | 0 | 112.2 | E241 E242 R249 | E241-Q245 WeakPolarHBondContact O-CB 3.24Å; E241-Q245 WeakPolarHBondContact O-CG 3.42Å; E241-Q245 PolarHBondContact O-N 3.34Å; E241-Q245 PolarHBondContact O-NE2 3.27Å; E242-Q245 PolarHBondContact O-N 3.36Å; Q245-R249 WeakPolarHBondContact O-CB 3.41Å; Q245-R249 WeakPolarHBondContact O-CD 3.37Å; Q245-R249 WeakPolarHBondContact O-CG 3.33Å; Q245-R249 PolarHBondContact O-N 3.05Å |
| 246 | L | 71.3 | Confident | 68.9 | Low | 72 Ų | 72 | 105.2 Ų | 105.2 | 38% | 0.377 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.8 | -40.8 | 172 | -73.5 | 168.6 | 0 | 0 | 0 | 111.4 | E242 L243 L244 L250 | E242-L246 VanDerWaalsContact O-CG 3.3Å; E242-L246 WeakPolarHBondContact O-CG 3.46Å; E242-L246 PolarHBondContact O-N 3.48Å; L243-L246 HydrophobicContact CD2-CD1 4.46Å; L243-L246 WeakPolarHBondContact O-CB 3.24Å; L243-L246 PolarHBondContact O-N 3.48Å; L244-L246 VanDerWaalsContact C-N 3.29Å; L244-L246 PolarHBondContact O-N 3.31Å; L246-L250 WeakPolarHBondContact O-CB 3.13Å; L246-L250 WeakPolarHBondContact O-CD1 3.46Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å; L246-L250 PolarHBondContact O-N 3.25Å |
| 247 | E | 71.7 | Confident | 70.7 | Confident | 138 Ų | 138 | 102 Ų | 102 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -49.6 | 174.7 | -175 | 169.6 | -161.2 | 0 | 0 | 111.7 | L243 L244 R249 L250 G251 | L243-E247 PolarHBondContact O-N 3.39Å; L244-E247 PolarHBondContact O-N 3.27Å; E247-R249 PolarHBondContact O-N 3.43Å; E247-L250 PolarHBondContact O-N 3.23Å; E247-G251 PolarHBondContact O-N 3.22Å |
| 248 | D | 69.6 | Low | 72.3 | Confident | 143 Ų | 143 | 98.7 Ų | 98.7 | 77% | 0.765 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.3 | -38.2 | 179.2 | -165.8 | 51.8 | 0 | 0 | 0 | 112.3 | L244 G251 | L244-D248 WeakPolarHBondContact O-CB 3.28Å; L244-D248 PolarHBondContact O-N 2.94Å; D248-G251 PolarHBondContact O-N 3.31Å |
| 249 | R | 69.9 | Low | 74 | Confident | 203 Ų | 203 | 96.7 Ų | 96.7 | 77% | 0.766 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -73 | -26.4 | 174.8 | -72.7 | 171.8 | 64.2 | -157.7 | -1.1 | 114.2 | Q245 E247 | Q245-R249 WeakPolarHBondContact O-CB 3.41Å; Q245-R249 WeakPolarHBondContact O-CD 3.37Å; Q245-R249 WeakPolarHBondContact O-CG 3.33Å; Q245-R249 PolarHBondContact O-N 3.05Å; E247-R249 PolarHBondContact O-N 3.43Å |
| 250 | L | 66.7 | Low | 75 | Confident | 109 Ų | 109 | 98.9 Ų | 98.9 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -82.1 | -33 | 173.7 | -74.2 | 167.1 | 0 | 0 | 0 | 110.8 | L246 E247 V253 | L246-L250 WeakPolarHBondContact O-CB 3.13Å; L246-L250 WeakPolarHBondContact O-CD1 3.46Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å; L246-L250 PolarHBondContact O-N 3.25Å; E247-L250 PolarHBondContact O-N 3.23Å; L250-V253 HydrophobicContact CB-CG2 3.94Å; L250-V253 WeakPolarHBondContact O-CG2 3.33Å |
| 251 | G | 56.9 | Low | 75.8 | Confident | 42 Ų | 42 | 93.5 Ų | 93.5 | 43% | 0.433 | 49% | 0.493 | S | S | . | . | trans | 62 | -171.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | E247 D248 V253 | E247-G251 PolarHBondContact O-N 3.22Å; D248-G251 PolarHBondContact O-N 3.31Å; G251-V253 WeakPolarHBondContact O-CG2 3.24Å; G251-V253 PolarHBondContact O-N 2.74Å | ||
| 252 | S | 52.7 | Low | 76.5 | Confident | 111 Ų | 111 | 90.1 Ų | 90.1 | 78% | 0.776 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -66.9 | 94.2 | 170 | 60.8 | 0 | 0 | 0 | 0 | 109.8 | S254 | S252-S254 PolarHBondContact O-N 2.79Š|
| 253 | V | 59 | Low | 77.3 | Confident | 66 Ų | 66 | 89 Ų | 89 | 40% | 0.4 | 47% | 0.472 | S | S | . | . | trans | -76.2 | 75.2 | -176.7 | -151.4 | 0 | 0 | 0 | 0 | 110.8 | L250 G251 R255 | L250-V253 HydrophobicContact CB-CG2 3.94Å; L250-V253 WeakPolarHBondContact O-CG2 3.33Å; G251-V253 WeakPolarHBondContact O-CG2 3.24Å; G251-V253 PolarHBondContact O-N 2.74Å; V253-R255 HydrophobicContact CB-CG 4.28Å; V253-R255 HydrophobicContact CG1-CG 3.58Å; V253-R255 PolarHBondContact O-N 3.46Å | ||
| 254 | S | 57 | Low | 78.1 | Confident | 100 Ų | 100 | 93.4 Ų | 93.4 | 70% | 0.699 | 48% | 0.481 | S | S | * | . | trans | -66.4 | 77.1 | 168.5 | -66.2 | 0 | 0 | 0 | 0 | 109.8 | S252 G256 | S252-S254 PolarHBondContact O-N 2.79Å; S254-G256 PolarHBondContact O-N 2.83Å | ||
| 255 | R | 75.6 | Confident | 79.1 | Confident | 167 Ų | 167 | 92.5 Ų | 92.5 | 63% | 0.63 | 47% | 0.474 | S | S | * | . | trans | -71.1 | -1.9 | 178.9 | -68.8 | -170.2 | 166.8 | 98.8 | -1.3 | 113.4 | V253 T327 S328 R329 | V253-R255 HydrophobicContact CB-CG 4.28Å; V253-R255 HydrophobicContact CG1-CG 3.58Å; V253-R255 PolarHBondContact O-N 3.46Å; R255-T327 CarbonylContact C-O 3.49Å; R255-S328 WeakPolarHBondContact O-CA 3.48Å; R255-R329 WeakPolarHBondContact O-CG 3.49Å; R255-R329 PolarHBondContact O-N 3.46Å; R255-R329 VanDerWaalsContact O-N 3.13Å | ||
| 256 | G | 88.9 | Confident | 79.8 | Confident | 9 Ų | 9 | 87.1 Ų | 87.1 | 9% | 0.093 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -83.7 | 170.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S254 L325 A326 T327 R329 | S254-G256 PolarHBondContact O-N 2.83Å; G256-L325 CarbonylContact C-O 3.6Å; G256-L325 WeakPolarHBondContact CA-O 3.38Å; G256-A326 WeakPolarHBondContact CA-O 3.49Å; G256-T327 VanDerWaalsContact CA-C 3.45Å; G256-T327 PolarHBondContact N-O 3.25Å; G256-T327 VanDerWaalsContact N-O 3.14Å; G256-R329 PolarHBondContact O-NE 3.01Å; G256-R329 PolarHBondContact O-NH2 3.38Å; G256-R329 VanDerWaalsContact O-NH2 3.12Å |
| 257 | A | 90.6 | Very high | 81 | Confident | 7 Ų | 7 | 89.8 Ų | 89.8 | 6% | 0.058 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -94 | 146.8 | 170 | 0 | 0 | 0 | 0 | 0 | 109.9 | T261 I262 L325 R329 I338 | A257-T261 HydrophobicContact CB-CG2 3.93Å; A257-I262 HydrophobicContact CB-CD1 4.33Å; A257-I262 HydrophobicContact CB-CG1 3.66Å; A257-L325 PolarHBondContact N-O 2.96Å; A257-R329 HydrophobicContact CB-CG 3.83Å; A257-I338 HydrophobicContact CB-CD1 3.94Å |
| 258 | V | 92.5 | Very high | 82.1 | Confident | 92 Ų | 92 | 86.3 Ų | 86.3 | 56% | 0.558 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -71.4 | 152.9 | 164.3 | -67.2 | 0 | 0 | 0 | 0 | 109.9 | T260 T261 I262 | V258-T260 WeakPolarHBondContact CG2-OG1 3.32Å; V258-T260 PolarHBondContact O-N 2.86Å; V258-T260 VanDerWaalsContact O-N 3.14Å; V258-T261 WeakPolarHBondContact CG2-OG1 3.28Å; V258-T261 WeakPolarHBondContact O-CA 3.11Å; V258-T261 WeakPolarHBondContact O-CB 3.29Å; V258-T261 PolarHBondContact O-N 2.8Å; V258-I262 PolarHBondContact O-N 2.96Å |
| 259 | Q | 93.4 | Very high | 83.4 | Confident | 80 Ų | 80 | 83.4 Ų | 83.4 | 37% | 0.374 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -52.6 | -39.9 | -175.8 | -173.8 | 62.9 | 20.2 | 0 | 0 | 113.2 | T261 I262 E263 D322 | Q259-T261 VanDerWaalsContact C-N 3.32Å; Q259-T261 PolarHBondContact O-N 3.39Å; Q259-I262 WeakPolarHBondContact O-CB 3.46Å; Q259-I262 PolarHBondContact O-N 2.96Å; Q259-I262 VanDerWaalsContact O-N 3.15Å; Q259-E263 WeakPolarHBondContact CG-OE1 3.48Å; Q259-E263 PolarHBondContact NE2-OE1 2.87Å; Q259-E263 WeakPolarHBondContact O-CG 3.35Å; Q259-E263 PolarHBondContact O-N 2.84Å; Q259-D322 PolarHBondContact NE2-OD2 3.03Å; Q259-D322 VanDerWaalsContact NE2-OD2 3.15Å |
| 260 | T | 93.8 | Very high | 84.6 | Confident | 101 Ų | 101 | 79.1 Ų | 79.1 | 62% | 0.62 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -64.7 | -31.9 | 177.2 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | V258 R264 | V258-T260 WeakPolarHBondContact CG2-OG1 3.32Å; V258-T260 PolarHBondContact O-N 2.86Å; V258-T260 VanDerWaalsContact O-N 3.14Å; T260-R264 VanDerWaalsContact O-CB 3.24Å; T260-R264 WeakPolarHBondContact O-CB 3.41Å; T260-R264 PolarHBondContact O-N 2.93Å; T260-R264 VanDerWaalsContact O-N 3.1Å |
| 261 | T | 93.2 | Very high | 85.9 | Confident | 30 Ų | 30 | 74.6 Ų | 74.6 | 18% | 0.184 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -71.1 | -44 | 171.4 | -63.7 | 0 | 0 | 0 | 0 | 110.2 | A257 V258 Q259 E263 R264 F265 I338 E339 | A257-T261 HydrophobicContact CB-CG2 3.93Å; V258-T261 WeakPolarHBondContact CG2-OG1 3.28Å; V258-T261 WeakPolarHBondContact O-CA 3.11Å; V258-T261 WeakPolarHBondContact O-CB 3.29Å; V258-T261 PolarHBondContact O-N 2.8Å; Q259-T261 VanDerWaalsContact C-N 3.32Å; Q259-T261 PolarHBondContact O-N 3.39Å; T261-E263 VanDerWaalsContact C-N 3.35Å; T261-E263 PolarHBondContact O-N 2.98Å; T261-R264 PolarHBondContact O-N 3.28Å; T261-F265 HydrophobicContact CG2-CD2 3.71Å; T261-F265 HydrophobicContact CG2-CE2 4.07Å; T261-F265 WeakPolarHBondContact O-CD2 3.42Å; T261-F265 PolarHBondContact O-N 2.75Å; T261-F265 VanDerWaalsContact O-N 3.07Å; T261-I338 HydrophobicContact CG2-CD1 4.45Å; T261-E339 HydrophobicContact CG2-CG 4.2Å |
| 262 | I | 94.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -56.7 | -51 | 177 | -61.1 | 170.4 | 0 | 0 | 0 | 109.8 | A257 V258 Q259 R264 F265 T266 D322 L325 I338 | A257-I262 HydrophobicContact CB-CD1 4.33Å; A257-I262 HydrophobicContact CB-CG1 3.66Å; V258-I262 PolarHBondContact O-N 2.96Å; Q259-I262 WeakPolarHBondContact O-CB 3.46Å; Q259-I262 PolarHBondContact O-N 2.96Å; Q259-I262 VanDerWaalsContact O-N 3.15Å; I262-R264 VanDerWaalsContact C-N 3.34Å; I262-R264 PolarHBondContact O-N 2.86Å; I262-F265 PolarHBondContact O-N 2.91Å; I262-T266 WeakPolarHBondContact O-CB 3.28Å; I262-T266 WeakPolarHBondContact O-CG2 3.25Å; I262-T266 PolarHBondContact O-N 3.19Å; I262-T266 VanDerWaalsContact O-N 3.15Å; I262-T266 PolarHBondContact O-OG1 3.32Å; I262-D322 WeakPolarHBondContact CG2-OD1 3.38Å; I262-L325 HydrophobicContact CD1-CB 3.57Å; I262-L325 HydrophobicContact CG1-CB 3.84Å; I262-L325 HydrophobicContact CG1-CD1 4.29Å; I262-L325 HydrophobicContact CG2-CD1 3.78Å; I262-I338 HydrophobicContact CG1-CD1 4.35Å |
| 263 | E | 94.8 | Very high | 89 | Confident | 101 Ų | 101 | 78.8 Ų | 78.8 | 47% | 0.472 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.9 | -34.2 | 179.4 | -72.6 | 167.7 | -171.6 | 0 | 0 | 113.7 | Q259 T261 | Q259-E263 WeakPolarHBondContact CG-OE1 3.48Å; Q259-E263 PolarHBondContact NE2-OE1 2.87Å; Q259-E263 WeakPolarHBondContact O-CG 3.35Å; Q259-E263 PolarHBondContact O-N 2.84Å; T261-E263 VanDerWaalsContact C-N 3.35Å; T261-E263 PolarHBondContact O-N 2.98Å |
| 264 | R | 94.7 | Very high | 90.1 | Very high | 201 Ų | 201 | 86.1 Ų | 86.1 | 76% | 0.758 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -72 | -34.5 | 178.6 | -179.5 | 175.7 | -179.5 | 175.8 | 0.8 | 113.6 | T260 T261 I262 | T260-R264 VanDerWaalsContact O-CB 3.24Å; T260-R264 WeakPolarHBondContact O-CB 3.41Å; T260-R264 PolarHBondContact O-N 2.93Å; T260-R264 VanDerWaalsContact O-N 3.1Å; T261-R264 PolarHBondContact O-N 3.28Å; I262-R264 VanDerWaalsContact C-N 3.34Å; I262-R264 PolarHBondContact O-N 2.86Å |
| 265 | F | 94.4 | Very high | 90.8 | Very high | 54 Ų | 54 | 90 Ų | 90 | 24% | 0.237 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -108.2 | 5.2 | -170.1 | -72.2 | -75.8 | 0 | 0 | 0 | 114.3 | T261 I262 P311 I338 E339 | T261-F265 HydrophobicContact CG2-CD2 3.71Å; T261-F265 HydrophobicContact CG2-CE2 4.07Å; T261-F265 WeakPolarHBondContact O-CD2 3.42Å; T261-F265 PolarHBondContact O-N 2.75Å; T261-F265 VanDerWaalsContact O-N 3.07Å; I262-F265 PolarHBondContact O-N 2.91Å; F265-P311 WeakPolarHBondContact O-CD 3.25Å; F265-I338 HydrophobicContact CB-CB 4.37Å; F265-I338 HydrophobicContact CB-CG1 4.45Å; F265-I338 WeakPolarHBondContact CB-O 3.46Å; F265-E339 HydrophobicContact CD2-CG 4.11Å; F265-E339 HydrophobicContact CE2-CG 4.09Å; F265-E339 HydrophobicContact CG-CG 4.46Å; F265-E339 HydrophobicContact CZ-CG 4.42Å |
| 266 | T | 94.5 | Very high | 90.3 | Very high | 4 Ų | 4 | 87 Ų | 87 | 3% | 0.025 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -139 | 165.2 | 179.7 | 69 | 0 | 0 | 0 | 0 | 111.3 | I262 P268 R308 L310 L325 I338 | I262-T266 WeakPolarHBondContact O-CB 3.28Å; I262-T266 WeakPolarHBondContact O-CG2 3.25Å; I262-T266 PolarHBondContact O-N 3.19Å; I262-T266 VanDerWaalsContact O-N 3.15Å; I262-T266 PolarHBondContact O-OG1 3.32Å; T266-P268 VanDerWaalsContact O-CD 3.28Å; T266-P268 WeakPolarHBondContact O-CD 3.23Å; T266-R308 WeakPolarHBondContact OG1-CD 3.45Å; T266-R308 WeakPolarHBondContact OG1-CG 3.45Å; T266-R308 PolarHBondContact OG1-NH1 2.68Å; T266-L310 HydrophobicContact CG2-CD1 4.19Å; T266-L310 HydrophobicContact CG2-CG 4.12Å; T266-L325 HydrophobicContact CG2-CD1 4.36Å; T266-I338 HydrophobicContact CG2-CB 4.29Å; T266-I338 HydrophobicContact CG2-CG2 4.05Å |
| 267 | F | 95.4 | Very high | 89.1 | Confident | 127 Ų | 127 | 94.6 Ų | 94.6 | 56% | 0.557 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 91.9 | -169.9 | -55 | -79.7 | 0 | 0 | 0 | 111.4 | H269 R309 | F267-H269 PolarHBondContact O-ND1 3.38Å; F267-R309 HydrophobicContact CB-CB 4.37Å; F267-R309 PolarHBondContact N-O 3.1Å; F267-R309 PolarHBondContact O-N 3.04Å |
| 268 | P | 96 | Very high | 87.6 | Confident | 65 Ų | 65 | 101.7 Ų | 101.7 | 42% | 0.422 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 136.9 | 171.7 | 31.4 | -32.6 | 0 | 0 | 0 | 110.3 | T266 V307 | T266-P268 VanDerWaalsContact O-CD 3.28Å; T266-P268 WeakPolarHBondContact O-CD 3.23Å; P268-V307 CarbonylContact C-O 3.58Å; P268-V307 WeakPolarHBondContact CA-O 3.08Å |
| 269 | H | 95.6 | Very high | 85.9 | Confident | 83 Ų | 83 | 105.1 Ų | 105.1 | 38% | 0.384 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 170.1 | 176.5 | 63.8 | -67.8 | 0 | 0 | 0 | 111 | F267 V307 | F267-H269 PolarHBondContact O-ND1 3.38Å; H269-V307 PolarHBondContact N-O 2.89Å; H269-V307 VanDerWaalsContact O-CG2 3.3Å; H269-V307 WeakPolarHBondContact O-CG2 3.16Å; H269-V307 PolarHBondContact O-N 3.43Å |
| 270 | K | 95.1 | Very high | 84.2 | Confident | 112 Ų | 112 | 111 Ų | 111 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 131.9 | 169.7 | -67.9 | -51.6 | -154.4 | 165.1 | 0 | 110.7 | G304 E305 D306 | K270-G304 WeakPolarHBondContact CD-O 3.42Å; K270-G304 WeakPolarHBondContact CE-O 3.48Å; K270-G304 PolarHBondContact NZ-O 3.26Å; K270-E305 CarbonylContact C-O 3.5Å; K270-E305 WeakPolarHBondContact CA-O 3.39Å; K270-D306 VanDerWaalsContact CD-OD1 3.24Å; K270-D306 WeakPolarHBondContact CD-OD1 3.3Å; K270-D306 WeakPolarHBondContact CE-OD1 3.46Å; K270-D306 IonicContact NZ-OD1 3.02Å; K270-D306 PolarHBondContact NZ-OD1 3.47Å; K270-D306 IonicContact NZ-OD2 3.76Å; K270-D306 PolarHBondContact NZ-OD2 3.27Å |
| 271 | Y | 94.1 | Very high | 82.2 | Confident | 15 Ų | 15 | 113.8 Ų | 113.8 | 6% | 0.059 | 53% | 0.529 | C | S | . | . | trans | -64.3 | 145.7 | 176 | -172.5 | -114.2 | 0 | 0 | 0 | 110.7 | K273 E292 L301 E302 G304 E305 V307 L315 | Y271-K273 HydrophobicContact CE1-CB 4.14Å; Y271-E292 HydrophobicContact CE2-CB 4.4Å; Y271-E292 WeakPolarHBondContact CE2-OE2 3.43Å; Y271-L301 HydrophobicContact CD1-CB 3.84Å; Y271-L301 HydrophobicContact CD2-CB 4.29Å; Y271-L301 HydrophobicContact CD2-CD1 4.27Å; Y271-L301 HydrophobicContact CE1-CB 3.87Å; Y271-L301 VanDerWaalsContact CE1-O 3.3Å; Y271-L301 WeakPolarHBondContact CE1-O 3.4Å; Y271-L301 HydrophobicContact CE2-CB 4.32Å; Y271-L301 HydrophobicContact CE2-CD1 4.21Å; Y271-L301 HydrophobicContact CG-CB 4.05Å; Y271-E302 WeakPolarHBondContact CD1-O 3.5Å; Y271-G304 PolarHBondContact O-N 3.34Å; Y271-E305 PolarHBondContact N-O 2.93Å; Y271-V307 HydrophobicContact CD2-CG2 4.29Å; Y271-V307 HydrophobicContact CG-CG1 4.48Å; Y271-L315 HydrophobicContact CD2-CD2 3.76Å; Y271-L315 HydrophobicContact CE2-CD2 3.77Å | ||
| 272 | K | 90.7 | Very high | 80.5 | Confident | 170 Ų | 170 | 115.4 Ų | 115.4 | 74% | 0.739 | 55% | 0.551 | S | S | * | * | trans | -147.1 | 109.9 | 173 | -170.5 | 171.2 | -176.1 | 173 | 0 | 110.6 | R274 D303 | K272-R274 PolarHBondContact O-N 3.2Å; K272-D303 VanDerWaalsContact CA-OD1 3.25Å; K272-D303 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 273 | K | 85.2 | Confident | 78.3 | Confident | 71 Ų | 71 | 124.4 Ų | 124.4 | 31% | 0.309 | 59% | 0.593 | S | S | . | * | trans | -57.2 | 129.3 | 177.8 | -171.8 | 161 | 178.1 | 163.4 | 0 | 110.1 | Y271 K275 D289 D291 D303 | Y271-K273 HydrophobicContact CE1-CB 4.14Å; K273-K275 PolarHBondContact O-N 3.46Å; K273-K275 VanDerWaalsContact O-N 3.11Å; K273-D289 WeakPolarHBondContact CE-OD1 3.41Å; K273-D289 IonicContact NZ-OD1 3.29Å; K273-D289 PolarHBondContact NZ-OD1 3.21Å; K273-D289 IonicContact NZ-OD2 2.66Å; K273-D289 PolarHBondContact NZ-OD2 3.18Å; K273-D291 WeakPolarHBondContact CE-OD1 3.37Å; K273-D291 IonicContact NZ-OD1 2.8Å; K273-D291 PolarHBondContact NZ-OD1 2.73Å; K273-D291 IonicContact NZ-OD2 2.68Å; K273-D303 PolarHBondContact N-OD1 3.42Å | ||
| 274 | R | 80.9 | Confident | 76.5 | Confident | 219 Ų | 219 | 129.1 Ų | 129.1 | 83% | 0.826 | 62% | 0.615 | S | S | * | * | trans | -79.5 | 97.7 | -178.3 | -62.5 | -173.2 | 72.1 | 162.7 | 2.6 | 109 | K272 P276 | K272-R274 PolarHBondContact O-N 3.2Å; R274-P276 WeakPolarHBondContact O-CD 3.38Å | ||
| 275 | K | 73.3 | Confident | 74.3 | Confident | 181 Ų | 181 | 127.5 Ų | 127.5 | 79% | 0.787 | 62% | 0.616 | S | S | * | * | trans | -57 | 122.4 | 169.9 | -63.3 | -170.3 | 177.6 | -169.8 | 0 | 109.3 | K273 L277 | K273-K275 PolarHBondContact O-N 3.46Å; K273-K275 VanDerWaalsContact O-N 3.11Å; K275-L277 PolarHBondContact O-N 3.05Å | ||
| 276 | P | 63.6 | Low | 72.4 | Confident | 104 Ų | 104 | 132.9 Ų | 132.9 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | trans | -57.4 | 136.7 | 173.1 | -22.9 | 33.5 | 0 | 0 | 0 | 109.7 | R274 Q278 | R274-P276 WeakPolarHBondContact O-CD 3.38Å; P276-Q278 VanDerWaalsContact C-N 3.3Å; P276-Q278 PolarHBondContact O-N 3.36Å | ||
| 277 | L | 65.3 | Low | 70.3 | Confident | 169 Ų | 169 | 140.5 Ų | 140.5 | 89% | 0.885 | 68% | 0.678 | S | S | * | * | trans | -73.4 | 92.6 | 169.4 | -76 | 168.4 | 0 | 0 | 0 | 107.5 | K275 L279 | K275-L277 PolarHBondContact O-N 3.05Å; L277-L279 VanDerWaalsContact C-N 3.31Å; L277-L279 PolarHBondContact O-N 2.86Å | ||
| 278 | Q | 57.8 | Low | 67.9 | Low | 156 Ų | 156 | 139.5 Ų | 139.5 | 73% | 0.729 | 68% | 0.682 | S | S | * | * | trans | -59.9 | 88.7 | 179.6 | -73.7 | 167 | -27.1 | 0 | 0 | 111.2 | P276 K280 | P276-Q278 VanDerWaalsContact C-N 3.3Å; P276-Q278 PolarHBondContact O-N 3.36Å; Q278-K280 PolarHBondContact O-N 3.11Å; Q278-K280 VanDerWaalsContact O-N 3.09Å | ||
| 279 | L | 57.8 | Low | 65.8 | Low | 164 Ų | 164 | 139.7 Ų | 139.7 | 86% | 0.859 | 68% | 0.679 | S | S | * | * | trans | -70.8 | 95.9 | 161.5 | -74.8 | 172.1 | 0 | 0 | 0 | 107.1 | L277 I281 | L277-L279 VanDerWaalsContact C-N 3.31Å; L277-L279 PolarHBondContact O-N 2.86Å; L279-I281 PolarHBondContact O-N 2.88Å | ||
| 280 | K | 58.3 | Low | 63.9 | Low | 203 Ų | 203 | 141.8 Ų | 141.8 | 88% | 0.883 | 70% | 0.698 | S | S | * | * | trans | -53.7 | 97.3 | -178 | -64.8 | -175.1 | 178.3 | -174.5 | 0 | 112.6 | Q278 | Q278-K280 PolarHBondContact O-N 3.11Å; Q278-K280 VanDerWaalsContact O-N 3.09Å | ||
| 281 | I | 50.6 | Low | 62.5 | Low | 161 Ų | 161 | 138.2 Ų | 138.2 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | trans | -132.6 | 130 | 150.8 | -56.9 | -177.4 | 0 | 0 | 0 | 104.5 | L279 | L279-I281 PolarHBondContact O-N 2.88Š| ||
| 282 | G | 57 | Low | 62 | Low | 64 Ų | 64 | 141.9 Ų | 141.9 | 66% | 0.66 | 70% | 0.702 | S | S | * | * | trans | -80.1 | -170.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 283 | E | 50.1 | Low | 62 | Low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 69% | 0.694 | S | S | * | * | S | Bend | trans | 87.1 | 96.9 | -178.8 | -56.6 | 175.4 | -178.2 | 0 | 0 | 113.9 | E285 | E283-E285 PolarHBondContact O-N 3.23Š|
| 284 | E | 55.8 | Low | 62.4 | Low | 200 Ų | 200 | 136.7 Ų | 136.7 | 94% | 0.935 | 68% | 0.679 | S | S | * | * | trans | 44.2 | 62.3 | 150.8 | -60.2 | 178.3 | -170.7 | 0 | 0 | 116.3 | E286 | E284-E286 PolarHBondContact O-N 3.1Š| ||
| 285 | E | 49.3 | Very low | 63.1 | Low | 168 Ų | 168 | 129.2 Ų | 129.2 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | trans | -62.1 | 103.2 | 163.7 | -77.9 | -175.2 | 136.6 | 0 | 0 | 109.6 | E283 E287 | E283-E285 PolarHBondContact O-N 3.23Å; E285-E287 VanDerWaalsContact C-N 3.29Å; E285-E287 PolarHBondContact O-N 3.18Å | ||
| 286 | E | 54.8 | Low | 64.1 | Low | 167 Ų | 167 | 123.6 Ų | 123.6 | 78% | 0.78 | 64% | 0.636 | S | S | * | * | trans | -56.5 | 100.9 | 151.1 | -175.7 | 177.4 | -177.5 | 0 | 0 | 106.3 | E284 T288 | E284-E286 PolarHBondContact O-N 3.1Å; E286-T288 HydrophobicContact CG-CG2 4.28Å; E286-T288 PolarHBondContact O-N 3.3Å | ||
| 287 | E | 49.2 | Very low | 65.6 | Low | 164 Ų | 164 | 121.1 Ų | 121.1 | 77% | 0.766 | 62% | 0.621 | S | S | * | * | trans | -63 | 81.2 | 176.1 | -172.8 | 170.8 | -152.2 | 0 | 0 | 108 | E285 D289 | E285-E287 VanDerWaalsContact C-N 3.29Å; E285-E287 PolarHBondContact O-N 3.18Å; E287-D289 HydrophobicContact CG-CB 4.28Å; E287-D289 PolarHBondContact O-N 3.02Å | ||
| 288 | T | 45.8 | Very low | 66.9 | Low | 105 Ų | 105 | 119.5 Ų | 119.5 | 64% | 0.644 | 61% | 0.612 | S | S | * | * | trans | -71.7 | 70.9 | 167.2 | 44.7 | 0 | 0 | 0 | 0 | 106.8 | E286 V290 | E286-T288 HydrophobicContact CG-CG2 4.28Å; E286-T288 PolarHBondContact O-N 3.3Å; T288-V290 WeakPolarHBondContact O-CG2 3.22Å; T288-V290 PolarHBondContact O-N 2.93Å | ||
| 289 | D | 50.9 | Low | 68.6 | Low | 69 Ų | 69 | 115.1 Ų | 115.1 | 37% | 0.369 | 60% | 0.598 | S | S | . | * | trans | -58.1 | 106 | -178.7 | -154.7 | -12.6 | 0 | 0 | 0 | 107.5 | K273 E287 D291 | K273-D289 WeakPolarHBondContact CE-OD1 3.41Å; K273-D289 IonicContact NZ-OD1 3.29Å; K273-D289 PolarHBondContact NZ-OD1 3.21Å; K273-D289 IonicContact NZ-OD2 2.66Å; K273-D289 PolarHBondContact NZ-OD2 3.18Å; E287-D289 HydrophobicContact CG-CB 4.28Å; E287-D289 PolarHBondContact O-N 3.02Å; D289-D291 PolarHBondContact O-N 3.45Å | ||
| 290 | V | 56.2 | Low | 70.2 | Confident | 127 Ų | 127 | 112.6 Ų | 112.6 | 77% | 0.77 | 58% | 0.584 | S | S | * | * | trans | -80.9 | 53.7 | -178 | -160.1 | 0 | 0 | 0 | 0 | 108 | T288 E292 | T288-V290 WeakPolarHBondContact O-CG2 3.22Å; T288-V290 PolarHBondContact O-N 2.93Å; V290-E292 PolarHBondContact O-N 2.83Å | ||
| 291 | D | 66.4 | Low | 71.8 | Confident | 38 Ų | 38 | 103.1 Ų | 103.1 | 20% | 0.203 | 54% | 0.543 | C | S | . | . | trans | -59.7 | 109.8 | 177.9 | -84.5 | -39.8 | 0 | 0 | 0 | 108.7 | K273 D289 K293 M300 | K273-D291 WeakPolarHBondContact CE-OD1 3.37Å; K273-D291 IonicContact NZ-OD1 2.8Å; K273-D291 PolarHBondContact NZ-OD1 2.73Å; K273-D291 IonicContact NZ-OD2 2.68Å; D289-D291 PolarHBondContact O-N 3.45Å; D291-K293 PolarHBondContact O-N 3.02Å; D291-K293 VanDerWaalsContact O-N 3.1Å; D291-M300 HydrophobicContact CB-CE 4.23Å; D291-M300 HydrophobicContact CB-CG 4.25Å; D291-M300 WeakPolarHBondContact OD2-CE 3.36Å | ||
| 292 | E | 82.3 | Confident | 73.7 | Confident | 91 Ų | 91 | 101.9 Ų | 101.9 | 43% | 0.425 | 53% | 0.533 | S | S | . | . | trans | -65.5 | 113.6 | 170.4 | -63.6 | -177.8 | 172 | 0 | 0 | 106.5 | Y271 V290 L301 L315 | Y271-E292 HydrophobicContact CE2-CB 4.4Å; Y271-E292 WeakPolarHBondContact CE2-OE2 3.43Å; V290-E292 PolarHBondContact O-N 2.83Å; E292-L301 HydrophobicContact CB-CD1 4.01Å; E292-L301 WeakPolarHBondContact O-CB 3.39Å; E292-L301 WeakPolarHBondContact O-CD1 3.44Å; E292-L301 WeakPolarHBondContact O-CG 3.44Å; E292-L301 PolarHBondContact O-N 3.18Å; E292-L315 WeakPolarHBondContact OE2-CD2 3.24Å | ||
| 293 | K | 91.4 | Very high | 75.3 | Confident | 132 Ų | 132 | 103.7 Ų | 103.7 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | B | Isolated β-bridge | trans | -104 | 141.3 | 178.4 | 69.2 | -169 | 174.3 | -161.2 | 0 | 110.7 | D291 T295 S299 | D291-K293 PolarHBondContact O-N 3.02Å; D291-K293 VanDerWaalsContact O-N 3.1Å; K293-T295 PolarHBondContact O-N 3.46Å; K293-S299 CarbonylContact C-O 3.6Å; K293-S299 WeakPolarHBondContact CA-O 3.32Å; K293-S299 WeakPolarHBondContact CB-O 3.3Å |
| 294 | C | 94.9 | Very high | 77.2 | Confident | 0 Ų | 0 | 96.7 Ų | 96.7 | 0% | 0 | 51% | 0.506 | C | S | . | . | trans | -72.2 | 115.8 | 173.3 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | I296 C297 L298 S299 L301 H317 | C294-I296 PolarHBondContact O-N 2.86Å; C294-C297 VanDerWaalsContact CB-SG 3.58Å; C294-L298 WeakPolarHBondContact O-CA 3.43Å; C294-L298 PolarHBondContact O-N 2.93Å; C294-S299 PolarHBondContact N-O 2.89Å; C294-L301 HydrophobicContact CB-CD2 3.98Å; C294-H317 WeakPolarHBondContact CB-ND1 3.36Å | ||
| 295 | T | 94.2 | Very high | 79.1 | Confident | 63 Ų | 63 | 90.1 Ų | 90.1 | 39% | 0.387 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 4.9 | -177.7 | 75.7 | 0 | 0 | 0 | 0 | 114.3 | K293 I333 | K293-T295 PolarHBondContact O-N 3.46Å; T295-I333 HydrophobicContact CG2-CD1 3.98Å |
| 296 | I | 94.5 | Very high | 81.3 | Confident | 63 Ų | 63 | 86 Ų | 86 | 32% | 0.323 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -51.7 | 178.9 | -57.2 | 172.5 | 0 | 0 | 0 | 109.9 | C294 F316 C320 V321 W324 P332 | C294-I296 PolarHBondContact O-N 2.86Å; I296-F316 HydrophobicContact CD1-CB 4.3Å; I296-F316 HydrophobicContact CD1-CD1 3.77Å; I296-F316 HydrophobicContact CD1-CE1 4.37Å; I296-F316 HydrophobicContact CD1-CG 4.12Å; I296-F316 HydrophobicContact CG1-CD1 3.88Å; I296-F316 HydrophobicContact CG1-CE1 4.29Å; I296-C320 HydrophobicContact CB-CB 3.96Å; I296-C320 HydrophobicContact CD1-CB 4.03Å; I296-C320 HydrophobicContact CG2-CB 3.92Å; I296-V321 HydrophobicContact CD1-CB 3.93Å; I296-V321 HydrophobicContact CD1-CG2 4.28Å; I296-W324 HydrophobicContact CD1-CB 4.43Å; I296-P332 HydrophobicContact CD1-CG 4.12Å; I296-P332 HydrophobicContact CG1-CG 4.3Å |
| 297 | C | 95.3 | Very high | 83.3 | Confident | 52 Ų | 52 | 78 Ų | 78 | 35% | 0.351 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -10 | 174.7 | 61.9 | 0 | 0 | 0 | 0 | 113.7 | C294 S299 H317 | C294-C297 VanDerWaalsContact CB-SG 3.58Å; C297-S299 PolarHBondContact O-N 3.37Å; C297-H317 PolarHBondContact SG-ND1 2.96Å |
| 298 | L | 92.8 | Very high | 85.6 | Confident | 134 Ų | 134 | 70.3 Ų | 70.3 | 70% | 0.702 | 39% | 0.385 | S | S | * | . | trans | 64.9 | 8.2 | -176.3 | -51 | 178 | 0 | 0 | 0 | 115.3 | C294 | C294-L298 WeakPolarHBondContact O-CA 3.43Å; C294-L298 PolarHBondContact O-N 2.93Å | ||
| 299 | S | 92.9 | Very high | 87.9 | Confident | 64 Ų | 64 | 70.3 Ų | 70.3 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 153.4 | 175.5 | -51.9 | 0 | 0 | 0 | 0 | 112.4 | K293 C294 C297 | K293-S299 CarbonylContact C-O 3.6Å; K293-S299 WeakPolarHBondContact CA-O 3.32Å; K293-S299 WeakPolarHBondContact CB-O 3.3Å; C294-S299 PolarHBondContact N-O 2.89Å; C297-S299 PolarHBondContact O-N 3.37Å |
| 300 | M | 91.8 | Very high | 90.1 | Very high | 112 Ų | 112 | 67 Ų | 67 | 55% | 0.552 | 36% | 0.356 | S | S | * | . | B | Isolated β-bridge | trans | -63.7 | 154.7 | 169.5 | -70.9 | 165 | 160 | 0 | 0 | 110.7 | D291 | D291-M300 HydrophobicContact CB-CE 4.23Å; D291-M300 HydrophobicContact CB-CG 4.25Å; D291-M300 WeakPolarHBondContact OD2-CE 3.36Å |
| 301 | L | 91.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -92.6 | 125.5 | 171 | -61.4 | 175.1 | 0 | 0 | 0 | 109.6 | Y271 E292 C294 E305 V307 L315 H317 | Y271-L301 HydrophobicContact CD1-CB 3.84Å; Y271-L301 HydrophobicContact CD2-CB 4.29Å; Y271-L301 HydrophobicContact CD2-CD1 4.27Å; Y271-L301 HydrophobicContact CE1-CB 3.87Å; Y271-L301 VanDerWaalsContact CE1-O 3.3Å; Y271-L301 WeakPolarHBondContact CE1-O 3.4Å; Y271-L301 HydrophobicContact CE2-CB 4.32Å; Y271-L301 HydrophobicContact CE2-CD1 4.21Å; Y271-L301 HydrophobicContact CG-CB 4.05Å; E292-L301 HydrophobicContact CB-CD1 4.01Å; E292-L301 WeakPolarHBondContact O-CB 3.39Å; E292-L301 WeakPolarHBondContact O-CD1 3.44Å; E292-L301 WeakPolarHBondContact O-CG 3.44Å; E292-L301 PolarHBondContact O-N 3.18Å; C294-L301 HydrophobicContact CB-CD2 3.98Å; L301-E305 WeakPolarHBondContact CA-OE2 3.42Å; L301-V307 HydrophobicContact CD1-CG1 4.15Å; L301-V307 HydrophobicContact CD2-CG1 3.71Å; L301-V307 HydrophobicContact CG-CG1 4.4Å; L301-L315 HydrophobicContact CD1-CD2 3.6Å; L301-L315 HydrophobicContact CD1-CG 3.94Å; L301-H317 WeakPolarHBondContact CD2-NE2 3.41Å |
| 302 | E | 90.3 | Very high | 93.2 | Very high | 135 Ų | 135 | 61 Ų | 61 | 63% | 0.631 | 32% | 0.322 | S | S | * | . | P | Polyproline II helix | trans | -101.8 | 152 | -178.1 | -64.7 | -174 | -169.8 | 0 | 0 | 112.9 | Y271 G304 E305 | Y271-E302 WeakPolarHBondContact CD1-O 3.5Å; E302-G304 PolarHBondContact O-N 3.02Å; E302-E305 HydrophobicContact CB-CG 3.96Å; E302-E305 PolarHBondContact N-OE2 3.12Å; E302-E305 WeakPolarHBondContact O-CB 3.2Å; E302-E305 WeakPolarHBondContact O-CG 3.36Å; E302-E305 PolarHBondContact O-N 3.3Å; E302-E305 VanDerWaalsContact O-N 3.1Å |
| 303 | D | 90.6 | Very high | 93.7 | Very high | 101 Ų | 101 | 61.2 Ų | 61.2 | 54% | 0.54 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 119.1 | -179.8 | -95.5 | -22.5 | 0 | 0 | 0 | 111.5 | K272 K273 | K272-D303 VanDerWaalsContact CA-OD1 3.25Å; K272-D303 WeakPolarHBondContact CA-OD1 3.5Å; K273-D303 PolarHBondContact N-OD1 3.42Å |
| 304 | G | 90.8 | Very high | 93.8 | Very high | 41 Ų | 41 | 57.7 Ų | 57.7 | 42% | 0.423 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | 0.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116 | K270 Y271 E302 | K270-G304 WeakPolarHBondContact CD-O 3.42Å; K270-G304 WeakPolarHBondContact CE-O 3.48Å; K270-G304 PolarHBondContact NZ-O 3.26Å; Y271-G304 PolarHBondContact O-N 3.34Å; E302-G304 PolarHBondContact O-N 3.02Å |
| 305 | E | 94.4 | Very high | 93.8 | Very high | 62 Ų | 62 | 58.9 Ų | 58.9 | 29% | 0.29 | 32% | 0.316 | S | S | . | . | trans | -66.6 | 152.5 | 169.8 | -70.8 | -168 | 124.1 | 0 | 0 | 112.6 | K270 Y271 L301 E302 V307 H317 | K270-E305 CarbonylContact C-O 3.5Å; K270-E305 WeakPolarHBondContact CA-O 3.39Å; Y271-E305 PolarHBondContact N-O 2.93Å; L301-E305 WeakPolarHBondContact CA-OE2 3.42Å; E302-E305 HydrophobicContact CB-CG 3.96Å; E302-E305 PolarHBondContact N-OE2 3.12Å; E302-E305 WeakPolarHBondContact O-CB 3.2Å; E302-E305 WeakPolarHBondContact O-CG 3.36Å; E302-E305 PolarHBondContact O-N 3.3Å; E302-E305 VanDerWaalsContact O-N 3.1Å; E305-V307 PolarHBondContact O-N 3.44Å; E305-H317 VanDerWaalsContact CD-NE2 3.25Å; E305-H317 IonicContact OE1-CD2 3.7Å; E305-H317 IonicContact OE1-NE2 3.46Å; E305-H317 PolarHBondContact OE1-NE2 3.4Å; E305-H317 IonicContact OE2-CD2 3.25Å; E305-H317 PolarHBondContact OE2-CD2 3.1Å; E305-H317 IonicContact OE2-CE1 2.74Å; E305-H317 IonicContact OE2-NE2 2.82Å; E305-H317 PolarHBondContact OE2-NE2 3.4Å | ||
| 306 | D | 96.9 | Very high | 94 | Very high | 82 Ų | 82 | 55.9 Ų | 55.9 | 44% | 0.439 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 111.9 | 173.7 | -68 | -63.2 | 0 | 0 | 0 | 110.5 | K270 Q318 | K270-D306 VanDerWaalsContact CD-OD1 3.24Å; K270-D306 WeakPolarHBondContact CD-OD1 3.3Å; K270-D306 WeakPolarHBondContact CE-OD1 3.46Å; K270-D306 IonicContact NZ-OD1 3.02Å; K270-D306 PolarHBondContact NZ-OD1 3.47Å; K270-D306 IonicContact NZ-OD2 3.76Å; K270-D306 PolarHBondContact NZ-OD2 3.27Å; D306-Q318 HydrophobicContact CB-CB 4.12Å; D306-Q318 PolarHBondContact O-N 3.02Å |
| 307 | V | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 148.7 | -179.4 | -66.6 | 0 | 0 | 0 | 0 | 110.9 | P268 H269 Y271 L301 E305 L315 F316 | P268-V307 CarbonylContact C-O 3.58Å; P268-V307 WeakPolarHBondContact CA-O 3.08Å; H269-V307 PolarHBondContact N-O 2.89Å; H269-V307 VanDerWaalsContact O-CG2 3.3Å; H269-V307 WeakPolarHBondContact O-CG2 3.16Å; H269-V307 PolarHBondContact O-N 3.43Å; Y271-V307 HydrophobicContact CD2-CG2 4.29Å; Y271-V307 HydrophobicContact CG-CG1 4.48Å; L301-V307 HydrophobicContact CD1-CG1 4.15Å; L301-V307 HydrophobicContact CD2-CG1 3.71Å; L301-V307 HydrophobicContact CG-CG1 4.4Å; E305-V307 PolarHBondContact O-N 3.44Å; V307-L315 HydrophobicContact CB-CD1 3.86Å; V307-L315 HydrophobicContact CB-CG 4.21Å; V307-L315 HydrophobicContact CG2-CD1 3.9Å; V307-L315 HydrophobicContact CG2-CD2 4.42Å; V307-L315 HydrophobicContact CG2-CG 4.47Å; V307-F316 CarbonylContact C-O 3.34Å; V307-F316 WeakPolarHBondContact CA-O 3.18Å; V307-F316 WeakPolarHBondContact CB-O 3.47Å |
| 308 | R | 96.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 54 Ų | 54 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 124.8 | 178.1 | -177.9 | -173 | -68.6 | -80.9 | 12.8 | 109.7 | T266 F316 Q318 V321 D322 | T266-R308 WeakPolarHBondContact OG1-CD 3.45Å; T266-R308 WeakPolarHBondContact OG1-CG 3.45Å; T266-R308 PolarHBondContact OG1-NH1 2.68Å; R308-F316 PolarHBondContact N-O 3.26Å; R308-F316 PolarHBondContact O-N 3.46Å; R308-Q318 HydrophobicContact CB-CB 4.31Å; R308-Q318 HydrophobicContact CB-CG 4.43Å; R308-V321 HydrophobicContact CB-CG1 3.83Å; R308-V321 HydrophobicContact CG-CG1 4.25Å; R308-D322 WeakPolarHBondContact CD-OD1 3.36Å; R308-D322 IonicContact CZ-OD1 3.88Å; R308-D322 VanDerWaalsContact CZ-OD1 3.29Å; R308-D322 IonicContact CZ-OD2 3.84Å; R308-D322 IonicContact NE-OD1 2.74Å; R308-D322 PolarHBondContact NE-OD1 3.42Å; R308-D322 IonicContact NE-OD2 3.22Å; R308-D322 IonicContact NH2-OD1 3.78Å; R308-D322 PolarHBondContact NH2-OD1 2.8Å; R308-D322 IonicContact NH2-OD2 2.62Å; R308-D322 PolarHBondContact NH2-OD2 2.93Å |
| 309 | R | 95.7 | Very high | 94.3 | Very high | 105 Ų | 105 | 50.2 Ų | 50.2 | 40% | 0.396 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127.3 | 175.1 | -156.7 | 176.4 | -168.5 | -166.8 | 1.7 | 109.9 | F267 M313 H314 L315 | F267-R309 HydrophobicContact CB-CB 4.37Å; F267-R309 PolarHBondContact N-O 3.1Å; F267-R309 PolarHBondContact O-N 3.04Å; R309-M313 PolarHBondContact NE-O 3.05Å; R309-M313 PolarHBondContact NH2-O 3.24Å; R309-H314 WeakPolarHBondContact CA-O 3.22Å; R309-L315 HydrophobicContact CB-CD1 3.91Å; R309-L315 HydrophobicContact CG-CD1 4.25Å |
| 310 | L | 95.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | trans | -80 | 162.1 | 174.4 | -89.6 | 62 | 0 | 0 | 0 | 110.2 | T266 C312 M313 H314 F316 V321 L325 C331 I338 | T266-L310 HydrophobicContact CG2-CD1 4.19Å; T266-L310 HydrophobicContact CG2-CG 4.12Å; L310-C312 VanDerWaalsContact CB-SG 3.56Å; L310-C312 PolarHBondContact O-N 3.11Å; L310-M313 WeakPolarHBondContact O-CA 3.4Å; L310-M313 PolarHBondContact O-N 3.13Å; L310-H314 PolarHBondContact N-O 3.41Å; L310-F316 HydrophobicContact CD1-CD2 4.12Å; L310-F316 HydrophobicContact CD1-CE2 4.27Å; L310-F316 HydrophobicContact CD2-CE2 4.31Å; L310-V321 HydrophobicContact CD1-CG1 4.47Å; L310-V321 HydrophobicContact CD1-CG2 3.79Å; L310-L325 HydrophobicContact CD1-CD1 4.39Å; L310-C331 HydrophobicContact CD2-CB 3.74Å; L310-I338 HydrophobicContact CD2-CG2 3.88Å; L310-I338 HydrophobicContact CG-CG2 3.93Å | ||
| 311 | P | 94.2 | Very high | 94.8 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 14% | 0.136 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -28.6 | 177.8 | 23.7 | -33.4 | 0 | 0 | 0 | 111.9 | F265 M313 I338 | F265-P311 WeakPolarHBondContact O-CD 3.25Å; P311-M313 WeakPolarHBondContact O-CE 3.21Å; P311-M313 PolarHBondContact O-N 3.27Å; P311-I338 WeakPolarHBondContact CG-O 3.47Å |
| 312 | C | 93.9 | Very high | 95 | Very high | 16 Ų | 16 | 44 Ų | 44 | 11% | 0.108 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | 19.7 | 168.6 | 63.5 | 0 | 0 | 0 | 0 | 115.4 | L310 H314 C331 C334 V336 L342 | L310-C312 VanDerWaalsContact CB-SG 3.56Å; L310-C312 PolarHBondContact O-N 3.11Å; C312-H314 PolarHBondContact O-N 3.27Å; C312-H314 PolarHBondContact O-ND1 2.87Å; C312-H314 PolarHBondContact SG-ND1 3.21Å; C312-H314 VanDerWaalsContact SG-ND1 3.37Å; C312-C331 VanDerWaalsContact SG-CB 3.6Å; C312-C334 VanDerWaalsContact CB-SG 3.55Å; C312-V336 HydrophobicContact CB-CB 4.37Å; C312-L342 HydrophobicContact CB-CD1 3.8Å |
| 313 | M | 92.7 | Very high | 95.2 | Very high | 96 Ų | 96 | 44.8 Ų | 44.8 | 47% | 0.473 | 25% | 0.245 | S | C | . | . | S | Bend | trans | 61.2 | -9.2 | 175.8 | -62.9 | -63 | 103.8 | 0 | 0 | 117.6 | R309 L310 P311 | R309-M313 PolarHBondContact NE-O 3.05Å; R309-M313 PolarHBondContact NH2-O 3.24Å; L310-M313 WeakPolarHBondContact O-CA 3.4Å; L310-M313 PolarHBondContact O-N 3.13Å; P311-M313 WeakPolarHBondContact O-CE 3.21Å; P311-M313 PolarHBondContact O-N 3.27Å |
| 314 | H | 94.4 | Very high | 95.4 | Very high | 58 Ų | 58 | 45.1 Ų | 45.1 | 27% | 0.269 | 24% | 0.239 | S | C | . | . | trans | -62.5 | 144.2 | 171 | -63.5 | 97.4 | 0 | 0 | 0 | 112.3 | R309 L310 C312 F316 I333 | R309-H314 WeakPolarHBondContact CA-O 3.22Å; L310-H314 PolarHBondContact N-O 3.41Å; C312-H314 PolarHBondContact O-N 3.27Å; C312-H314 PolarHBondContact O-ND1 2.87Å; C312-H314 PolarHBondContact SG-ND1 3.21Å; C312-H314 VanDerWaalsContact SG-ND1 3.37Å; H314-F316 HydrophobicContact CB-CE2 3.74Å; H314-F316 HydrophobicContact CB-CZ 3.96Å; H314-I333 HydrophobicContact CB-CD1 4.27Å; H314-I333 VanDerWaalsContact CD2-CD1 3.45Å; H314-I333 WeakPolarHBondContact CD2-CD1 3.35Å; H314-I333 WeakPolarHBondContact NE2-CG2 3.39Å | ||
| 315 | L | 94.9 | Very high | 95.7 | Very high | 25 Ų | 25 | 43.2 Ų | 43.2 | 13% | 0.131 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 141.7 | -174.1 | -169.9 | 68.1 | 0 | 0 | 0 | 111.3 | Y271 E292 L301 V307 R309 | Y271-L315 HydrophobicContact CD2-CD2 3.76Å; Y271-L315 HydrophobicContact CE2-CD2 3.77Å; E292-L315 WeakPolarHBondContact OE2-CD2 3.24Å; L301-L315 HydrophobicContact CD1-CD2 3.6Å; L301-L315 HydrophobicContact CD1-CG 3.94Å; V307-L315 HydrophobicContact CB-CD1 3.86Å; V307-L315 HydrophobicContact CB-CG 4.21Å; V307-L315 HydrophobicContact CG2-CD1 3.9Å; V307-L315 HydrophobicContact CG2-CD2 4.42Å; V307-L315 HydrophobicContact CG2-CG 4.47Å; R309-L315 HydrophobicContact CB-CD1 3.91Å; R309-L315 HydrophobicContact CG-CD1 4.25Å |
| 316 | F | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 161.6 | 179.5 | -51 | -87.8 | 0 | 0 | 0 | 109.7 | I296 V307 R308 L310 H314 Q318 V321 P332 I333 | I296-F316 HydrophobicContact CD1-CB 4.3Å; I296-F316 HydrophobicContact CD1-CD1 3.77Å; I296-F316 HydrophobicContact CD1-CE1 4.37Å; I296-F316 HydrophobicContact CD1-CG 4.12Å; I296-F316 HydrophobicContact CG1-CD1 3.88Å; I296-F316 HydrophobicContact CG1-CE1 4.29Å; V307-F316 CarbonylContact C-O 3.34Å; V307-F316 WeakPolarHBondContact CA-O 3.18Å; V307-F316 WeakPolarHBondContact CB-O 3.47Å; R308-F316 PolarHBondContact N-O 3.26Å; R308-F316 PolarHBondContact O-N 3.46Å; L310-F316 HydrophobicContact CD1-CD2 4.12Å; L310-F316 HydrophobicContact CD1-CE2 4.27Å; L310-F316 HydrophobicContact CD2-CE2 4.31Å; H314-F316 HydrophobicContact CB-CE2 3.74Å; H314-F316 HydrophobicContact CB-CZ 3.96Å; F316-Q318 PolarHBondContact O-N 3.47Å; F316-V321 HydrophobicContact CB-CB 3.77Å; F316-V321 HydrophobicContact CB-CG1 4.1Å; F316-V321 HydrophobicContact CB-CG2 4.36Å; F316-V321 HydrophobicContact CD2-CB 4.15Å; F316-V321 HydrophobicContact CD2-CG2 3.8Å; F316-V321 HydrophobicContact CE2-CG2 4.35Å; F316-V321 HydrophobicContact CG-CB 4.09Å; F316-V321 HydrophobicContact CG-CG2 4.16Å; F316-P332 HydrophobicContact CE1-CB 4.36Å; F316-P332 HydrophobicContact CE1-CG 4.09Å; F316-P332 HydrophobicContact CZ-CB 4.39Å; F316-P332 HydrophobicContact CZ-CG 4.02Å; F316-I333 HydrophobicContact CE1-CD1 3.73Å; F316-I333 HydrophobicContact CE1-CG1 4.09Å; F316-I333 HydrophobicContact CZ-CD1 3.63Å; F316-I333 HydrophobicContact CZ-CG1 3.93Å |
| 317 | H | 97.4 | Very high | 95.3 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 11% | 0.111 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 136.5 | 162.2 | -68.1 | 114.7 | 0 | 0 | 0 | 110.6 | C294 C297 L301 E305 G319 C320 V321 | C294-H317 WeakPolarHBondContact CB-ND1 3.36Å; C297-H317 PolarHBondContact SG-ND1 2.96Å; L301-H317 WeakPolarHBondContact CD2-NE2 3.41Å; E305-H317 VanDerWaalsContact CD-NE2 3.25Å; E305-H317 IonicContact OE1-CD2 3.7Å; E305-H317 IonicContact OE1-NE2 3.46Å; E305-H317 PolarHBondContact OE1-NE2 3.4Å; E305-H317 IonicContact OE2-CD2 3.25Å; E305-H317 PolarHBondContact OE2-CD2 3.1Å; E305-H317 IonicContact OE2-CE1 2.74Å; E305-H317 IonicContact OE2-NE2 2.82Å; E305-H317 PolarHBondContact OE2-NE2 3.4Å; H317-G319 PolarHBondContact O-N 3.11Å; H317-C320 HydrophobicContact CB-CB 4.04Å; H317-C320 PolarHBondContact O-N 3.07Å; H317-V321 PolarHBondContact O-N 3.22Å; H317-V321 VanDerWaalsContact O-N 3.1Å |
| 318 | Q | 96.5 | Very high | 95.1 | Very high | 52 Ų | 52 | 45.7 Ų | 45.7 | 24% | 0.243 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.5 | -50.9 | -176.4 | 179.9 | 176.2 | -23.3 | 0 | 0 | 111.6 | D306 R308 F316 C320 V321 D322 | D306-Q318 HydrophobicContact CB-CB 4.12Å; D306-Q318 PolarHBondContact O-N 3.02Å; R308-Q318 HydrophobicContact CB-CB 4.31Å; R308-Q318 HydrophobicContact CB-CG 4.43Å; F316-Q318 PolarHBondContact O-N 3.47Å; Q318-C320 VanDerWaalsContact C-N 3.34Å; Q318-C320 PolarHBondContact O-N 3.36Å; Q318-V321 PolarHBondContact O-N 3.4Å; Q318-D322 WeakPolarHBondContact O-CB 3.39Å; Q318-D322 PolarHBondContact O-N 3.32Å |
| 319 | G | 96.1 | Very high | 94.9 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 57% | 0.567 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -61.5 | -39.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | H317 Q323 | H317-G319 PolarHBondContact O-N 3.11Å; G319-Q323 PolarHBondContact O-N 3.49Å |
| 320 | C | 97.2 | Very high | 94.8 | Very high | 31 Ų | 31 | 50 Ų | 50 | 21% | 0.209 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.8 | -43.6 | -179.9 | -68.5 | 0 | 0 | 0 | 0 | 112.1 | I296 H317 Q318 W324 | I296-C320 HydrophobicContact CB-CB 3.96Å; I296-C320 HydrophobicContact CD1-CB 4.03Å; I296-C320 HydrophobicContact CG2-CB 3.92Å; H317-C320 HydrophobicContact CB-CB 4.04Å; H317-C320 PolarHBondContact O-N 3.07Å; Q318-C320 VanDerWaalsContact C-N 3.34Å; Q318-C320 PolarHBondContact O-N 3.36Å; C320-W324 PolarHBondContact O-N 2.89Å |
| 321 | V | 96.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -81.7 | -28 | -178.2 | 73.9 | 0 | 0 | 0 | 0 | 112.7 | I296 R308 L310 F316 H317 Q318 W324 L325 | I296-V321 HydrophobicContact CD1-CB 3.93Å; I296-V321 HydrophobicContact CD1-CG2 4.28Å; R308-V321 HydrophobicContact CB-CG1 3.83Å; R308-V321 HydrophobicContact CG-CG1 4.25Å; L310-V321 HydrophobicContact CD1-CG1 4.47Å; L310-V321 HydrophobicContact CD1-CG2 3.79Å; F316-V321 HydrophobicContact CB-CB 3.77Å; F316-V321 HydrophobicContact CB-CG1 4.1Å; F316-V321 HydrophobicContact CB-CG2 4.36Å; F316-V321 HydrophobicContact CD2-CB 4.15Å; F316-V321 HydrophobicContact CD2-CG2 3.8Å; F316-V321 HydrophobicContact CE2-CG2 4.35Å; F316-V321 HydrophobicContact CG-CB 4.09Å; F316-V321 HydrophobicContact CG-CG2 4.16Å; H317-V321 PolarHBondContact O-N 3.22Å; H317-V321 VanDerWaalsContact O-N 3.1Å; Q318-V321 PolarHBondContact O-N 3.4Å; V321-W324 PolarHBondContact O-N 3.49Å; V321-L325 HydrophobicContact CG2-CD1 4Å; V321-L325 HydrophobicContact CG2-CG 4.08Å; V321-L325 WeakPolarHBondContact O-CB 3.44Å; V321-L325 VanDerWaalsContact O-CG 3.24Å; V321-L325 WeakPolarHBondContact O-CG 3.45Å; V321-L325 PolarHBondContact O-N 3Å |
| 322 | D | 95.9 | Very high | 94.8 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 174 | -73.1 | 8.9 | 0 | 0 | 0 | 110.6 | Q259 I262 R308 Q318 W324 L325 A326 | Q259-D322 PolarHBondContact NE2-OD2 3.03Å; Q259-D322 VanDerWaalsContact NE2-OD2 3.15Å; I262-D322 WeakPolarHBondContact CG2-OD1 3.38Å; R308-D322 WeakPolarHBondContact CD-OD1 3.36Å; R308-D322 IonicContact CZ-OD1 3.88Å; R308-D322 VanDerWaalsContact CZ-OD1 3.29Å; R308-D322 IonicContact CZ-OD2 3.84Å; R308-D322 IonicContact NE-OD1 2.74Å; R308-D322 PolarHBondContact NE-OD1 3.42Å; R308-D322 IonicContact NE-OD2 3.22Å; R308-D322 IonicContact NH2-OD1 3.78Å; R308-D322 PolarHBondContact NH2-OD1 2.8Å; R308-D322 IonicContact NH2-OD2 2.62Å; R308-D322 PolarHBondContact NH2-OD2 2.93Å; Q318-D322 WeakPolarHBondContact O-CB 3.39Å; Q318-D322 PolarHBondContact O-N 3.32Å; D322-W324 VanDerWaalsContact C-N 3.34Å; D322-W324 PolarHBondContact O-N 3.44Å; D322-L325 PolarHBondContact O-N 3.47Å; D322-A326 WeakPolarHBondContact O-CB 3Å; D322-A326 PolarHBondContact O-N 3.07Å |
| 323 | Q | 95.4 | Very high | 94.7 | Very high | 151 Ų | 151 | 53.7 Ų | 53.7 | 71% | 0.706 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.4 | -39.4 | 174.1 | -172.1 | 177 | 11.5 | 0 | 0 | 112.6 | G319 T327 | G319-Q323 PolarHBondContact O-N 3.49Å; Q323-T327 PolarHBondContact O-OG1 3.15Å |
| 324 | W | 95.4 | Very high | 94.8 | Very high | 108 Ų | 108 | 51.5 Ų | 51.5 | 41% | 0.409 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -65.5 | -47.9 | 174.2 | 175.6 | -89.9 | 0 | 0 | 0 | 111.9 | I296 C320 V321 D322 A326 T327 S328 K330 P332 | I296-W324 HydrophobicContact CD1-CB 4.43Å; C320-W324 PolarHBondContact O-N 2.89Å; V321-W324 PolarHBondContact O-N 3.49Å; D322-W324 VanDerWaalsContact C-N 3.34Å; D322-W324 PolarHBondContact O-N 3.44Å; W324-A326 VanDerWaalsContact C-N 3.29Å; W324-A326 PolarHBondContact O-N 2.82Å; W324-T327 WeakPolarHBondContact O-CA 3.42Å; W324-T327 WeakPolarHBondContact O-CB 3.34Å; W324-T327 PolarHBondContact O-N 2.91Å; W324-S328 PolarHBondContact O-N 3.35Å; W324-K330 PolarHBondContact NE1-O 2.93Å; W324-P332 HydrophobicContact CD2-CG 4.06Å; W324-P332 HydrophobicContact CG-CG 3.96Å |
| 325 | L | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.5 | -29.3 | -177.1 | -70.7 | 174.5 | 0 | 0 | 0 | 112.5 | G256 A257 I262 T266 L310 V321 D322 T327 S328 I338 | G256-L325 CarbonylContact C-O 3.6Å; G256-L325 WeakPolarHBondContact CA-O 3.38Å; A257-L325 PolarHBondContact N-O 2.96Å; I262-L325 HydrophobicContact CD1-CB 3.57Å; I262-L325 HydrophobicContact CG1-CB 3.84Å; I262-L325 HydrophobicContact CG1-CD1 4.29Å; I262-L325 HydrophobicContact CG2-CD1 3.78Å; T266-L325 HydrophobicContact CG2-CD1 4.36Å; L310-L325 HydrophobicContact CD1-CD1 4.39Å; V321-L325 HydrophobicContact CG2-CD1 4Å; V321-L325 HydrophobicContact CG2-CG 4.08Å; V321-L325 WeakPolarHBondContact O-CB 3.44Å; V321-L325 VanDerWaalsContact O-CG 3.24Å; V321-L325 WeakPolarHBondContact O-CG 3.45Å; V321-L325 PolarHBondContact O-N 3Å; D322-L325 PolarHBondContact O-N 3.47Å; L325-T327 PolarHBondContact O-N 3.44Å; L325-S328 WeakPolarHBondContact CA-O 3.21Å; L325-S328 WeakPolarHBondContact CD2-O 3.48Å; L325-S328 CarbonylContact O-C 3.57Å; L325-S328 PolarHBondContact O-N 2.66Å; L325-I338 HydrophobicContact CD1-CD1 4.32Å; L325-I338 HydrophobicContact CD1-CG2 4.15Å; L325-I338 HydrophobicContact CD2-CD1 4.33Å; L325-I338 HydrophobicContact CD2-CG2 3.7Å |
| 326 | A | 92.8 | Very high | 94.5 | Very high | 61 Ų | 61 | 59.2 Ų | 59.2 | 50% | 0.504 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -19.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | G256 D322 W324 | G256-A326 WeakPolarHBondContact CA-O 3.49Å; D322-A326 WeakPolarHBondContact O-CB 3Å; D322-A326 PolarHBondContact O-N 3.07Å; W324-A326 VanDerWaalsContact C-N 3.29Å; W324-A326 PolarHBondContact O-N 2.82Å |
| 327 | T | 91.2 | Very high | 94.3 | Very high | 102 Ų | 102 | 61.1 Ų | 61.1 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.4 | -33.3 | 175.4 | -50 | 0 | 0 | 0 | 0 | 112.6 | R255 G256 Q323 W324 L325 | R255-T327 CarbonylContact C-O 3.49Å; G256-T327 VanDerWaalsContact CA-C 3.45Å; G256-T327 PolarHBondContact N-O 3.25Å; G256-T327 VanDerWaalsContact N-O 3.14Å; Q323-T327 PolarHBondContact O-OG1 3.15Å; W324-T327 WeakPolarHBondContact O-CA 3.42Å; W324-T327 WeakPolarHBondContact O-CB 3.34Å; W324-T327 PolarHBondContact O-N 2.91Å; L325-T327 PolarHBondContact O-N 3.44Å |
| 328 | S | 92.1 | Very high | 94.1 | Very high | 33 Ų | 33 | 60.1 Ų | 60.1 | 23% | 0.231 | 32% | 0.316 | C | S | . | . | trans | -151.8 | 121 | -175.3 | 173.8 | 0 | 0 | 0 | 0 | 112.1 | R255 W324 L325 K330 | R255-S328 WeakPolarHBondContact O-CA 3.48Å; W324-S328 PolarHBondContact O-N 3.35Å; L325-S328 WeakPolarHBondContact CA-O 3.21Å; L325-S328 WeakPolarHBondContact CD2-O 3.48Å; L325-S328 CarbonylContact O-C 3.57Å; L325-S328 PolarHBondContact O-N 2.66Å; S328-K330 PolarHBondContact O-N 2.98Å | ||
| 329 | R | 92.9 | Very high | 93.8 | Very high | 90 Ų | 90 | 61.3 Ų | 61.3 | 34% | 0.34 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -64.4 | 2.7 | 179.1 | -55.8 | -168.3 | -164.9 | 158.4 | 14.6 | 115.9 | R255 G256 A257 D337 I338 E339 | R255-R329 WeakPolarHBondContact O-CG 3.49Å; R255-R329 PolarHBondContact O-N 3.46Å; R255-R329 VanDerWaalsContact O-N 3.13Å; G256-R329 PolarHBondContact O-NE 3.01Å; G256-R329 PolarHBondContact O-NH2 3.38Å; G256-R329 VanDerWaalsContact O-NH2 3.12Å; A257-R329 HydrophobicContact CB-CG 3.83Å; R329-D337 WeakPolarHBondContact O-CA 3.2Å; R329-I338 HydrophobicContact CB-CG1 4.38Å; R329-I338 PolarHBondContact O-N 2.8Å; R329-E339 VanDerWaalsContact CD-OE1 3.29Å; R329-E339 WeakPolarHBondContact CD-OE1 3.29Å; R329-E339 IonicContact CZ-OE1 2.78Å; R329-E339 IonicContact NE-OE1 3.63Å; R329-E339 IonicContact NH1-OE1 3.63Å; R329-E339 PolarHBondContact NH1-OE1 2.93Å |
| 330 | K | 93.3 | Very high | 93.1 | Very high | 106 Ų | 106 | 61.9 Ų | 61.9 | 46% | 0.461 | 32% | 0.315 | S | S | . | . | B | Isolated β-bridge | trans | -105.8 | 137.8 | -170.9 | -64.9 | -177.9 | 176.2 | -168.1 | 0 | 111.7 | W324 S328 R335 V336 | W324-K330 PolarHBondContact NE1-O 2.93Å; S328-K330 PolarHBondContact O-N 2.98Å; K330-R335 WeakPolarHBondContact CD-O 3.45Å; K330-V336 CarbonylContact C-O 3.54Å; K330-V336 WeakPolarHBondContact CA-O 3.37Å |
| 331 | C | 95 | Very high | 91.4 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.007 | 34% | 0.342 | C | S | . | . | trans | -53.5 | 132.2 | 175.3 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | L310 C312 I333 C334 R335 V336 | L310-C331 HydrophobicContact CD2-CB 3.74Å; C312-C331 VanDerWaalsContact SG-CB 3.6Å; C331-I333 PolarHBondContact O-N 2.93Å; C331-I333 PolarHBondContact SG-N 2.69Å; C331-I333 VanDerWaalsContact SG-N 3.45Å; C331-C334 VanDerWaalsContact CB-SG 3.58Å; C331-C334 VanDerWaalsContact SG-SG 3.66Å; C331-R335 WeakPolarHBondContact O-CA 3.45Å; C331-R335 PolarHBondContact O-N 2.95Å; C331-V336 PolarHBondContact N-O 3.49Å | ||
| 332 | P | 94.1 | Very high | 89.6 | Confident | 37 Ų | 37 | 72.7 Ų | 72.7 | 24% | 0.24 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -33.5 | 176.4 | -24.5 | 30.6 | 0 | 0 | 0 | 114.1 | I296 F316 W324 | I296-P332 HydrophobicContact CD1-CG 4.12Å; I296-P332 HydrophobicContact CG1-CG 4.3Å; F316-P332 HydrophobicContact CE1-CB 4.36Å; F316-P332 HydrophobicContact CE1-CG 4.09Å; F316-P332 HydrophobicContact CZ-CB 4.39Å; F316-P332 HydrophobicContact CZ-CG 4.02Å; W324-P332 HydrophobicContact CD2-CG 4.06Å; W324-P332 HydrophobicContact CG-CG 3.96Å |
| 333 | I | 92.9 | Very high | 87.5 | Confident | 79 Ų | 79 | 77.6 Ų | 77.6 | 41% | 0.405 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -60.8 | -172.8 | -60.5 | 170.4 | 0 | 0 | 0 | 111 | T295 H314 F316 C331 | T295-I333 HydrophobicContact CG2-CD1 3.98Å; H314-I333 HydrophobicContact CB-CD1 4.27Å; H314-I333 VanDerWaalsContact CD2-CD1 3.45Å; H314-I333 WeakPolarHBondContact CD2-CD1 3.35Å; H314-I333 WeakPolarHBondContact NE2-CG2 3.39Å; F316-I333 HydrophobicContact CE1-CD1 3.73Å; F316-I333 HydrophobicContact CE1-CG1 4.09Å; F316-I333 HydrophobicContact CZ-CD1 3.63Å; F316-I333 HydrophobicContact CZ-CG1 3.93Å; C331-I333 PolarHBondContact O-N 2.93Å; C331-I333 PolarHBondContact SG-N 2.69Å; C331-I333 VanDerWaalsContact SG-N 3.45Å |
| 334 | C | 93.3 | Very high | 85.5 | Confident | 50 Ų | 50 | 76.1 Ų | 76.1 | 34% | 0.338 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -5.2 | -173.4 | 64.6 | 0 | 0 | 0 | 0 | 115.2 | C312 C331 V336 | C312-C334 VanDerWaalsContact CB-SG 3.55Å; C331-C334 VanDerWaalsContact CB-SG 3.58Å; C331-C334 VanDerWaalsContact SG-SG 3.66Å; C334-V336 HydrophobicContact CB-CG2 4.2Å; C334-V336 PolarHBondContact O-N 2.78Å |
| 335 | R | 92 | Very high | 83.1 | Confident | 200 Ų | 200 | 77.8 Ų | 77.8 | 76% | 0.755 | 41% | 0.411 | S | S | * | . | trans | 58.8 | 10.7 | -178.6 | -52.5 | -179.1 | 179.3 | -164.8 | -2.1 | 115.9 | K330 C331 | K330-R335 WeakPolarHBondContact CD-O 3.45Å; C331-R335 WeakPolarHBondContact O-CA 3.45Å; C331-R335 PolarHBondContact O-N 2.95Å | ||
| 336 | V | 92.1 | Very high | 80.4 | Confident | 45 Ų | 45 | 86.4 Ų | 86.4 | 27% | 0.273 | 47% | 0.471 | S | S | . | . | trans | -67.2 | 142.3 | 168.6 | 178.6 | 0 | 0 | 0 | 0 | 109 | C312 K330 C331 C334 T340 L342 | C312-V336 HydrophobicContact CB-CB 4.37Å; K330-V336 CarbonylContact C-O 3.54Å; K330-V336 WeakPolarHBondContact CA-O 3.37Å; C331-V336 PolarHBondContact N-O 3.49Å; C334-V336 HydrophobicContact CB-CG2 4.2Å; C334-V336 PolarHBondContact O-N 2.78Å; V336-T340 VanDerWaalsContact CG1-OG1 3.24Å; V336-T340 WeakPolarHBondContact CG1-OG1 3.26Å; V336-L342 HydrophobicContact CG1-CD1 4.38Å; V336-L342 HydrophobicContact CG1-CD2 4.19Å; V336-L342 HydrophobicContact CG1-CG 4.46Å | ||
| 337 | D | 92.7 | Very high | 79.8 | Confident | 40 Ų | 40 | 87.7 Ų | 87.7 | 21% | 0.214 | 47% | 0.47 | C | S | . | . | B | Isolated β-bridge | trans | -77 | 145.1 | -179.9 | -154.9 | -66.4 | 0 | 0 | 0 | 111 | R329 E339 T340 | R329-D337 WeakPolarHBondContact O-CA 3.2Å; D337-E339 PolarHBondContact O-N 3.47Å; D337-E339 PolarHBondContact OD1-N 2.95Å; D337-T340 HydrophobicContact CB-CG2 4.08Å; D337-T340 PolarHBondContact O-N 2.85Å; D337-T340 PolarHBondContact O-OG1 2.97Å |
| 338 | I | 93.1 | Very high | 79.2 | Confident | 3 Ų | 3 | 86.9 Ų | 86.9 | 2% | 0.015 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -25.7 | 175.2 | 63.9 | 174.6 | 0 | 0 | 0 | 112.4 | A257 T261 I262 F265 T266 L310 P311 L325 R329 T340 | A257-I338 HydrophobicContact CB-CD1 3.94Å; T261-I338 HydrophobicContact CG2-CD1 4.45Å; I262-I338 HydrophobicContact CG1-CD1 4.35Å; F265-I338 HydrophobicContact CB-CB 4.37Å; F265-I338 HydrophobicContact CB-CG1 4.45Å; F265-I338 WeakPolarHBondContact CB-O 3.46Å; T266-I338 HydrophobicContact CG2-CB 4.29Å; T266-I338 HydrophobicContact CG2-CG2 4.05Å; L310-I338 HydrophobicContact CD2-CG2 3.88Å; L310-I338 HydrophobicContact CG-CG2 3.93Å; P311-I338 WeakPolarHBondContact CG-O 3.47Å; L325-I338 HydrophobicContact CD1-CD1 4.32Å; L325-I338 HydrophobicContact CD1-CG2 4.15Å; L325-I338 HydrophobicContact CD2-CD1 4.33Å; L325-I338 HydrophobicContact CD2-CG2 3.7Å; R329-I338 HydrophobicContact CB-CG1 4.38Å; R329-I338 PolarHBondContact O-N 2.8Å; I338-T340 VanDerWaalsContact C-N 3.34Å |
| 339 | E | 89.5 | Confident | 78.5 | Confident | 77 Ų | 77 | 89.9 Ų | 89.9 | 36% | 0.36 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -16.8 | 179.2 | -63.4 | -178.1 | -145.2 | 0 | 0 | 112.5 | T261 F265 R329 D337 Q341 | T261-E339 HydrophobicContact CG2-CG 4.2Å; F265-E339 HydrophobicContact CD2-CG 4.11Å; F265-E339 HydrophobicContact CE2-CG 4.09Å; F265-E339 HydrophobicContact CG-CG 4.46Å; F265-E339 HydrophobicContact CZ-CG 4.42Å; R329-E339 VanDerWaalsContact CD-OE1 3.29Å; R329-E339 WeakPolarHBondContact CD-OE1 3.29Å; R329-E339 IonicContact CZ-OE1 2.78Å; R329-E339 IonicContact NE-OE1 3.63Å; R329-E339 IonicContact NH1-OE1 3.63Å; R329-E339 PolarHBondContact NH1-OE1 2.93Å; D337-E339 PolarHBondContact O-N 3.47Å; D337-E339 PolarHBondContact OD1-N 2.95Å; E339-Q341 PolarHBondContact O-N 3.29Å |
| 340 | T | 81.8 | Confident | 77.7 | Confident | 67 Ų | 67 | 89.9 Ų | 89.9 | 41% | 0.411 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -75.8 | 110.7 | 176.1 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | V336 D337 I338 L342 | V336-T340 VanDerWaalsContact CG1-OG1 3.24Å; V336-T340 WeakPolarHBondContact CG1-OG1 3.26Å; D337-T340 HydrophobicContact CB-CG2 4.08Å; D337-T340 PolarHBondContact O-N 2.85Å; D337-T340 PolarHBondContact O-OG1 2.97Å; I338-T340 VanDerWaalsContact C-N 3.34Å; T340-L342 PolarHBondContact O-N 3.09Å |
| 341 | Q | 62.4 | Low | 76.7 | Confident | 167 Ų | 167 | 88.9 Ų | 88.9 | 78% | 0.78 | 48% | 0.484 | S | S | * | . | trans | -65.5 | 115.1 | 170.6 | -63.1 | -163.8 | 42.5 | 0 | 0 | 109.6 | E339 N343 | E339-Q341 PolarHBondContact O-N 3.29Å; Q341-N343 PolarHBondContact O-N 3.09Å | ||
| 342 | L | 58.1 | Low | 75.5 | Confident | 91 Ų | 91 | 94.8 Ų | 94.8 | 48% | 0.476 | 52% | 0.515 | S | S | . | . | trans | -82.2 | 102.4 | 170.7 | -67.1 | 175.4 | 0 | 0 | 0 | 108.4 | C312 V336 T340 | C312-L342 HydrophobicContact CB-CD1 3.8Å; V336-L342 HydrophobicContact CG1-CD1 4.38Å; V336-L342 HydrophobicContact CG1-CD2 4.19Å; V336-L342 HydrophobicContact CG1-CG 4.46Å; T340-L342 PolarHBondContact O-N 3.09Å | ||
| 343 | N | 52.8 | Low | 74.1 | Confident | 121 Ų | 121 | 98.9 Ų | 98.9 | 65% | 0.647 | 54% | 0.535 | S | S | * | . | trans | -60.2 | 128 | 165.9 | -67.6 | -14.4 | 0 | 0 | 0 | 108.1 | Q341 D345 | Q341-N343 PolarHBondContact O-N 3.09Å; N343-D345 PolarHBondContact O-N 2.85Å; N343-D345 VanDerWaalsContact O-N 3.13Å | ||
| 344 | P | 52.7 | Low | 72.7 | Confident | 120 Ų | 120 | 100.5 Ų | 100.5 | 78% | 0.779 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -73.9 | 2.5 | -177 | 30 | -35.6 | 0 | 0 | 0 | 114.5 | ||
| 345 | D | 45.2 | Very low | 71 | Confident | 143 Ų | 143 | 104.7 Ų | 104.7 | 77% | 0.765 | 56% | 0.562 | S | S | * | * | trans | -118.2 | 57 | -168.4 | -56.9 | -51.1 | 0 | 0 | 0 | 112.6 | N343 | N343-D345 PolarHBondContact O-N 2.85Å; N343-D345 VanDerWaalsContact O-N 3.13Å | ||
| 346 | S | 39.4 | Very low | 69.1 | Low | 182 Ų | 182 | 96 Ų | 96 | 100% | 1.273 | 55% | 0.545 | S | S | * | . | trans | -143 | 0 | 176.2 | -67.1 | 0 | 0 | 0 | 0 | 113.3 |
Retrieved 346 of 346 residues in 100.1 ms
(Link to these results)