| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | T | 51.5 | Low | 43.9 | Very low | 198 Ų | 198 | 181.3 Ų | 181.3 | 100% | 1.215 | 87% | 0.867 | S | S | * | * | 0 | 36.6 | 0 | 37.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 2 | K | 47.8 | Very low | 43.3 | Very low | 210 Ų | 210 | 181.4 Ų | 181.4 | 91% | 0.913 | 86% | 0.862 | S | S | * | * | trans | -144 | 39.2 | 165.4 | -95.1 | -171.1 | -179.9 | 177.4 | 0 | 113.1 | ||||
| 3 | Y | 39.6 | Very low | 42.9 | Very low | 234 Ų | 234 | 178.3 Ų | 178.3 | 92% | 0.918 | 86% | 0.861 | S | S | * | * | S | Bend | trans | -147.7 | 27.9 | 174.2 | -138.9 | -91.8 | 0 | 0 | 0 | 114.1 | ||
| 4 | R | 43 | Very low | 42.3 | Very low | 239 Ų | 239 | 177.2 Ų | 177.2 | 90% | 0.902 | 86% | 0.861 | S | S | * | * | S | Bend | trans | -134.8 | 22.7 | -178.5 | -128.7 | -178.9 | -173 | 178.5 | 2.2 | 115.2 | ||
| 5 | E | 47.1 | Very low | 42 | Very low | 175 Ų | 175 | 176.8 Ų | 176.8 | 82% | 0.818 | 86% | 0.856 | S | S | * | * | S | Bend | trans | -129.6 | 11.2 | -178 | -73.3 | -169.9 | 155 | 0 | 0 | 115.7 | ||
| 6 | K | 46.6 | Very low | 41.3 | Very low | 203 Ų | 203 | 175.3 Ų | 175.3 | 88% | 0.883 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -98.6 | 2.4 | 173.6 | -84.9 | -173.8 | 175 | -177.1 | 0 | 115.4 | ||
| 7 | T | 47.3 | Very low | 40.7 | Very low | 125 Ų | 125 | 173.4 Ų | 173.4 | 77% | 0.767 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -109 | 14.3 | 179.1 | -35.7 | 0 | 0 | 0 | 0 | 113.2 | ||
| 8 | R | 40.8 | Very low | 40.2 | Very low | 227 Ų | 227 | 170.4 Ų | 170.4 | 86% | 0.857 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -116.1 | 4.9 | 177.9 | -80.4 | -175 | 174.6 | 168 | -3.2 | 115.5 | ||
| 9 | L | 42.6 | Very low | 39.9 | Very low | 163 Ų | 163 | 170.1 Ų | 170.1 | 85% | 0.853 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -114.6 | 5.6 | 178.7 | -99.1 | 151.7 | 0 | 0 | 0 | 114.6 | ||
| 10 | A | 38.9 | Very low | 39.5 | Very low | 81 Ų | 81 | 168 Ų | 168 | 67% | 0.669 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -104.1 | -4.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 11 | N | 38 | Very low | 38.9 | Very low | 139 Ų | 139 | 163 Ų | 163 | 74% | 0.743 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -114.8 | 25.8 | -176.1 | -77.6 | -6.8 | 0 | 0 | 0 | 114 | ||
| 12 | F | 36.8 | Very low | 39.1 | Very low | 183 Ų | 183 | 159.5 Ų | 159.5 | 80% | 0.803 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -120.2 | 18 | 180 | -154.5 | -99.7 | 0 | 0 | 0 | 115 | ||
| 13 | V | 38.1 | Very low | 38.1 | Very low | 141 Ų | 141 | 155.2 Ų | 155.2 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -134.4 | 32.1 | 172.6 | -160.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 14 | L | 34.2 | Very low | 37.7 | Very low | 163 Ų | 163 | 153 Ų | 153 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -119.8 | 4.7 | 171.3 | -82 | 173.7 | 0 | 0 | 0 | 114.4 | ||
| 15 | E | 37.2 | Very low | 37 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -137.9 | 97.3 | 173.3 | -75.2 | 179.9 | 160.2 | 0 | 0 | 108.4 | ||
| 16 | N | 32 | Very low | 35.9 | Very low | 152 Ų | 152 | 149.1 Ų | 149.1 | 81% | 0.813 | 81% | 0.805 | S | S | * | * | trans | 151.8 | 92.3 | 152.8 | -78.2 | -35.5 | 0 | 0 | 0 | 109.1 | ||||
| 17 | T | 31 | Very low | 35 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | 176.8 | 103.9 | 121.9 | 29.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 18 | S | 30.7 | Very low | 34.2 | Very low | 119 Ų | 119 | 147.4 Ų | 147.4 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -65.8 | 128.2 | 160.9 | -56 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 19 | L | 34.9 | Very low | 33.6 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | 28.6 | 141.9 | 144.7 | -68.3 | 176.1 | 0 | 0 | 0 | 120.4 | ||||
| 20 | P | 32.1 | Very low | 33 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | -143.3 | 155 | 76.6 | 35.9 | -17.4 | 0 | 0 | 0 | 116 | |||||
| 21 | G | 26.4 | Very low | 32.8 | Very low | 63 Ų | 63 | 149 Ų | 149 | 65% | 0.649 | 81% | 0.813 | S | S | * | * | trans | -102 | -167 | 155.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 22 | P | 56.3 | Low | 32.6 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | cis | -122.3 | 160.7 | -48 | 36.8 | -24 | 0 | 0 | 0 | 111.2 | ||||
| 23 | S | 27.5 | Very low | 32.4 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -157.2 | 111.8 | 157.5 | -88.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 24 | K | 31.1 | Very low | 32.2 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 81% | 0.813 | 80% | 0.798 | S | S | * | * | trans | 7.5 | 142.6 | 147 | -51.6 | 178.3 | 177.7 | -179.9 | 0 | 117.4 | ||||
| 25 | H | 27.4 | Very low | 32 | Very low | 148 Ų | 148 | 141 Ų | 141 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | 176.6 | 155.7 | 50.8 | -135.6 | -62.4 | 0 | 0 | 0 | 110.9 | |||||
| 26 | F | 24.5 | Very low | 31.9 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | 73.3 | 131.9 | 165.7 | -77.6 | -86.9 | 0 | 0 | 0 | 118.5 | ||||
| 27 | S | 27.7 | Very low | 31.6 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | cis | -153.9 | 137.6 | 13 | 46.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 28 | E | 29.6 | Very low | 31.3 | Very low | 190 Ų | 190 | 141.4 Ų | 141.4 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | trans | -63.3 | 131.4 | 174.7 | -69.5 | 165.9 | 138.3 | 0 | 0 | 112.2 | ||||
| 29 | Q | 28.3 | Very low | 31.1 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | trans | -136.6 | 127.8 | 146.2 | -75.2 | -169.5 | -1.4 | 0 | 0 | 109.5 | ||||
| 30 | N | 30.1 | Very low | 30.8 | Very low | 170 Ų | 170 | 142.2 Ų | 142.2 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | -48.2 | 126.6 | -171.6 | -67.2 | -56.3 | 0 | 0 | 0 | 114.5 | ||||
| 31 | N | 34.3 | Very low | 30.6 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | trans | -142.4 | 123.6 | 164.5 | -141.9 | -9.7 | 0 | 0 | 0 | 107.6 | A33 | N31-A33 PolarHBondContact O-N 2.98Š| ||
| 32 | P | 34.9 | Very low | 30.6 | Very low | 125 Ų | 125 | 147 Ų | 147 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -68.5 | 107.4 | -171.5 | 25.9 | -31.4 | 0 | 0 | 0 | 109.8 | ||||
| 33 | A | 32.8 | Very low | 29.2 | Very low | 78 Ų | 78 | 148 Ų | 148 | 65% | 0.645 | 79% | 0.791 | S | S | * | * | trans | -63.9 | 140.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | N31 H35 | N31-A33 PolarHBondContact O-N 2.98Å; A33-H35 PolarHBondContact O-N 3.34Å | ||
| 34 | C | 32.7 | Very low | 29.2 | Very low | 95 Ų | 95 | 151.7 Ų | 151.7 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | trans | -59.5 | 88 | 175.7 | -42.2 | 0 | 0 | 0 | 0 | 110.4 | V36 | C34-V36 PolarHBondContact O-N 2.95Å; C34-V36 VanDerWaalsContact O-N 3.1Å | ||
| 35 | H | 30.9 | Very low | 29.1 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | -72.8 | 101.9 | 169.1 | -95.8 | -87.2 | 0 | 0 | 0 | 109.4 | A33 N37 | A33-H35 PolarHBondContact O-N 3.34Å; H35-N37 PolarHBondContact ND1-OD1 3.26Å | ||
| 36 | V | 34.2 | Very low | 29.4 | Very low | 123 Ų | 123 | 153 Ų | 153 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | trans | -101.7 | 92 | 157.8 | -142.8 | 0 | 0 | 0 | 0 | 105.1 | C34 W38 | C34-V36 PolarHBondContact O-N 2.95Å; C34-V36 VanDerWaalsContact O-N 3.1Å; V36-W38 PolarHBondContact O-N 3.1Å | ||
| 37 | N | 26.7 | Very low | 29.5 | Very low | 125 Ų | 125 | 151.2 Ų | 151.2 | 67% | 0.668 | 80% | 0.804 | S | S | * | * | trans | -70 | 115.8 | 177.8 | -77.8 | -4.6 | 0 | 0 | 0 | 109.5 | H35 | H35-N37 PolarHBondContact ND1-OD1 3.26Š| ||
| 38 | W | 24.2 | Very low | 29.4 | Very low | 228 Ų | 228 | 153.5 Ų | 153.5 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -122.8 | 105.8 | 156.4 | -91.5 | 80.9 | 0 | 0 | 0 | 106.2 | V36 | V36-W38 PolarHBondContact O-N 3.1Š| ||
| 39 | E | 26.3 | Very low | 29.3 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | trans | -92.3 | 135.8 | 167.1 | -71.4 | -169.2 | 159.8 | 0 | 0 | 109.7 | ||||
| 40 | P | 29.1 | Very low | 29.3 | Very low | 121 Ų | 121 | 149 Ų | 149 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -92.4 | 112.9 | 162.8 | 31.4 | -22.6 | 0 | 0 | 0 | 109.6 | ||||
| 41 | G | 27.6 | Very low | 29.2 | Very low | 82 Ų | 82 | 146.7 Ų | 146.7 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 129.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 42 | F | 27.1 | Very low | 28.9 | Very low | 208 Ų | 208 | 149 Ų | 149 | 91% | 0.912 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 152.2 | 175.5 | -104.6 | -105.2 | 0 | 0 | 0 | 113.7 | ||
| 43 | D | 27.2 | Very low | 28.4 | Very low | 148 Ų | 148 | 151 Ų | 151 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 135.8 | 169.9 | -74.9 | -60.6 | 0 | 0 | 0 | 113.9 | ||
| 44 | Q | 26.8 | Very low | 28 | Very low | 197 Ų | 197 | 152 Ų | 152 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -167.2 | 121.6 | 137.2 | -104.9 | 163.7 | 69.6 | 0 | 0 | 110.7 | ||||
| 45 | R | 29 | Very low | 27.6 | Very low | 239 Ų | 239 | 156.2 Ų | 156.2 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -80.6 | 150.1 | 160.6 | -76 | -171.9 | 178.5 | -156.7 | 1.1 | 108.5 | ||||
| 46 | P | 34.2 | Very low | 27.4 | Very low | 125 Ų | 125 | 154.7 Ų | 154.7 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | -146.1 | 150.6 | 80.6 | 33.6 | -13 | 0 | 0 | 0 | 117.3 | |||||
| 47 | D | 25.2 | Very low | 27 | Very low | 145 Ų | 145 | 156.7 Ų | 156.7 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | trans | 45.8 | 145.4 | 139.5 | -133.3 | 6.2 | 0 | 0 | 0 | 126.1 | ||||
| 48 | L | 27.3 | Very low | 27 | Very low | 151 Ų | 151 | 155.6 Ų | 155.6 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -38.9 | 141.3 | -177.9 | -65 | 155.6 | 0 | 0 | 0 | 119.4 | ||||
| 49 | S | 26.7 | Very low | 27.2 | Very low | 104 Ų | 104 | 153.1 Ų | 153.1 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | 168 | 125.4 | 103.2 | 65.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 50 | Q | 28.7 | Very low | 27.1 | Very low | 179 Ų | 179 | 150.2 Ų | 150.2 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | 51.3 | 128 | 141.3 | -75.9 | 174 | -35.4 | 0 | 0 | 124.2 | ||||
| 51 | D | 27.2 | Very low | 27 | Very low | 123 Ų | 123 | 151 Ų | 151 | 66% | 0.658 | 80% | 0.799 | S | S | * | * | trans | 96.9 | 117.9 | 131.3 | -90.1 | 16 | 0 | 0 | 0 | 123 | ||||
| 52 | R | 27.5 | Very low | 26.9 | Very low | 194 Ų | 194 | 156.6 Ų | 156.6 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | trans | 81.9 | 118.7 | 143.6 | -71.3 | -175.5 | -153.8 | -145.8 | 3.8 | 121.6 | ||||
| 53 | Q | 24.8 | Very low | 26.9 | Very low | 167 Ų | 167 | 155 Ų | 155 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | 57 | 133.5 | 130.2 | -64 | 176.3 | -28.1 | 0 | 0 | 116.4 | ||||
| 54 | S | 24.3 | Very low | 26.9 | Very low | 99 Ų | 99 | 154.6 Ų | 154.6 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | cis | 173.4 | 136.5 | 5.7 | 36.9 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 55 | E | 25 | Very low | 26.8 | Very low | 184 Ų | 184 | 156.8 Ų | 156.8 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | 159.1 | 111.9 | 144.9 | -90 | 174 | 170.8 | 0 | 0 | 111.3 | ||||
| 56 | V | 27.1 | Very low | 26.6 | Very low | 127 Ų | 127 | 155 Ų | 155 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | 33.9 | 117.7 | 129.7 | -166.7 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 57 | L | 25.2 | Very low | 26.2 | Very low | 165 Ų | 165 | 155 Ų | 155 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | -172.3 | 136.3 | 119.1 | -92.7 | 167.2 | 0 | 0 | 0 | 110.6 | |||||
| 58 | S | 27.5 | Very low | 26.4 | Very low | 102 Ų | 102 | 155.8 Ų | 155.8 | 71% | 0.713 | 79% | 0.788 | S | S | * | * | trans | -68.8 | 136.2 | 179.7 | 49.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 59 | E | 26.8 | Very low | 26.3 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -161.7 | 108.8 | 150.5 | -111.7 | 165.6 | -146.1 | 0 | 0 | 112.1 | N61 | E59-N61 PolarHBondContact O-N 2.86Š| ||
| 60 | S | 25.3 | Very low | 26.3 | Very low | 119 Ų | 119 | 158.3 Ų | 158.3 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -85.3 | 90.2 | 174.3 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 61 | N | 26.8 | Very low | 26.2 | Very low | 137 Ų | 137 | 155.9 Ų | 155.9 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -97.1 | 96.6 | 166.9 | -95.4 | -44.5 | 0 | 0 | 0 | 109.7 | E59 | E59-N61 PolarHBondContact O-N 2.86Š| ||
| 62 | F | 26.2 | Very low | 26 | Very low | 200 Ų | 200 | 153 Ų | 153 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -113.4 | 99.2 | 165.8 | -99.3 | -85.3 | 0 | 0 | 0 | 110.1 | N64 | F62-N64 PolarHBondContact O-N 3.24Š| ||
| 63 | Q | 26.9 | Very low | 26.1 | Very low | 174 Ų | 174 | 149.4 Ų | 149.4 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -59.4 | 123.8 | 168.5 | -77.7 | 159.3 | -40 | 0 | 0 | 110.4 | R65 | Q63-R65 PolarHBondContact O-N 3.23Š| ||
| 64 | N | 25.7 | Very low | 26.2 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -71.9 | 106.3 | 171.6 | -89.7 | -63.9 | 0 | 0 | 0 | 110.2 | F62 Y66 | F62-N64 PolarHBondContact O-N 3.24Å; N64-Y66 HydrophobicContact CB-CE2 4.21Å; N64-Y66 PolarHBondContact O-N 3.31Å | ||
| 65 | R | 26.2 | Very low | 26.2 | Very low | 243 Ų | 243 | 148.2 Ų | 148.2 | 92% | 0.917 | 79% | 0.791 | S | S | * | * | trans | -73.9 | 107.1 | 165.5 | -125.8 | 179.2 | -179.2 | 150.7 | 0 | 108.8 | Q63 | Q63-R65 PolarHBondContact O-N 3.23Š| ||
| 66 | Y | 24.3 | Very low | 26.3 | Very low | 203 Ų | 203 | 148.9 Ų | 148.9 | 80% | 0.796 | 79% | 0.791 | S | S | * | * | trans | -80.7 | 114.3 | 170.1 | -74.2 | -84.6 | 0 | 0 | 0 | 109.5 | N64 | N64-Y66 HydrophobicContact CB-CE2 4.21Å; N64-Y66 PolarHBondContact O-N 3.31Å | ||
| 67 | V | 26.3 | Very low | 26.4 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -83.2 | 113.6 | 163.7 | 177.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 68 | L | 29.8 | Very low | 26.5 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | -65.8 | 123.2 | 166.2 | -73.3 | 164.2 | 0 | 0 | 0 | 108.5 | ||||
| 69 | N | 24.8 | Very low | 26.6 | Very low | 154 Ų | 154 | 147.1 Ų | 147.1 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -130.8 | 121.2 | 155.3 | -86.4 | -18.8 | 0 | 0 | 0 | 107.9 | ||||
| 70 | D | 25.4 | Very low | 26.7 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 83% | 0.829 | 79% | 0.785 | S | S | * | * | trans | -55.5 | 137 | 176.9 | -75.1 | -49.8 | 0 | 0 | 0 | 112.8 | ||||
| 71 | L | 27.3 | Very low | 26.8 | Very low | 127 Ų | 127 | 144.3 Ų | 144.3 | 67% | 0.665 | 78% | 0.779 | S | S | * | * | trans | -148.4 | 107.1 | 142 | -79.1 | -173.9 | 0 | 0 | 0 | 109.2 | ||||
| 72 | G | 23 | Very low | 26.9 | Very low | 63 Ų | 63 | 146.5 Ų | 146.5 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | trans | -65.2 | 165.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 73 | S | 29.9 | Very low | 27.2 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 63.6 | 86.4 | 172 | -64.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 74 | F | 27.2 | Very low | 27.1 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 74% | 0.737 | 78% | 0.781 | S | S | * | * | trans | -109 | 116.2 | 149.5 | -79.7 | -82.3 | 0 | 0 | 0 | 108.8 | ||||
| 75 | G | 24.1 | Very low | 27.3 | Very low | 72 Ų | 72 | 144.6 Ų | 144.6 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -57 | 138.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | P77 | G75-P77 WeakPolarHBondContact O-CD 3.38Š|
| 76 | K | 27.1 | Very low | 27.4 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 87% | 0.865 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 129.2 | -179.6 | -59.4 | 176.7 | 178.2 | -179.8 | 0 | 110.7 | ||
| 77 | P | 28.3 | Very low | 27.5 | Very low | 99 Ų | 99 | 134 Ų | 134 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 121.2 | 147.3 | 11 | 7.4 | 0 | 0 | 0 | 107.8 | G75 Y79 | G75-P77 WeakPolarHBondContact O-CD 3.38Å; P77-Y79 VanDerWaalsContact O-CD1 3.23Å; P77-Y79 WeakPolarHBondContact O-CD1 3.42Å; P77-Y79 PolarHBondContact O-N 3.41Å |
| 78 | G | 28 | Very low | 27.7 | Very low | 80 Ų | 80 | 135.7 Ų | 135.7 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 119 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 79 | Y | 30.1 | Very low | 27.7 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 117.4 | 165.7 | 33.7 | -92.7 | 0 | 0 | 0 | 106.5 | P77 E81 | P77-Y79 VanDerWaalsContact O-CD1 3.23Å; P77-Y79 WeakPolarHBondContact O-CD1 3.42Å; P77-Y79 PolarHBondContact O-N 3.41Å; Y79-E81 HydrophobicContact CD2-CG 4.45Å; Y79-E81 PolarHBondContact O-N 3.47Å |
| 80 | G | 27.5 | Very low | 27.8 | Very low | 85 Ų | 85 | 137.2 Ų | 137.2 | 88% | 0.876 | 78% | 0.778 | S | S | * | * | trans | -74.8 | 106.9 | 159 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 81 | E | 27.5 | Very low | 27.8 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -71.1 | 120.6 | 168.9 | -88.3 | 170.2 | 140.7 | 0 | 0 | 109.4 | Y79 | Y79-E81 HydrophobicContact CD2-CG 4.45Å; Y79-E81 PolarHBondContact O-N 3.47Å | ||
| 82 | M | 30.4 | Very low | 28 | Very low | 184 Ų | 184 | 135.1 Ų | 135.1 | 91% | 0.906 | 78% | 0.783 | S | S | * | * | trans | -142.7 | 89.8 | 145.2 | -85.5 | -170.1 | -178.4 | 0 | 0 | 106.8 | ||||
| 83 | D | 31.1 | Very low | 28.2 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 61% | 0.61 | 79% | 0.792 | S | S | * | * | trans | -127.1 | 119.4 | 150.9 | -78.4 | -41.8 | 0 | 0 | 0 | 104.9 | Y85 | D83-Y85 PolarHBondContact O-N 3.08Å; D83-Y85 VanDerWaalsContact O-N 3.09Å | ||
| 84 | N | 25.9 | Very low | 28 | Very low | 177 Ų | 177 | 142.3 Ų | 142.3 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | trans | -52.3 | 113.8 | 177.8 | -85.6 | -40.2 | 0 | 0 | 0 | 110.2 | ||||
| 85 | Y | 28.6 | Very low | 28 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | trans | -85.5 | 114.1 | 166.3 | -95.1 | -96 | 0 | 0 | 0 | 108.2 | D83 G87 | D83-Y85 PolarHBondContact O-N 3.08Å; D83-Y85 VanDerWaalsContact O-N 3.09Å; Y85-G87 PolarHBondContact O-N 3.44Å; Y85-G87 VanDerWaalsContact O-N 3.12Å | ||
| 86 | D | 28.3 | Very low | 28.5 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -66 | 105.5 | 153.2 | -79.4 | -37.3 | 0 | 0 | 0 | 107.4 | L88 | D86-L88 PolarHBondContact O-N 3.21Š| ||
| 87 | G | 27.3 | Very low | 28.4 | Very low | 68 Ų | 68 | 140.8 Ų | 140.8 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -68.8 | 114 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y85 | Y85-G87 PolarHBondContact O-N 3.44Å; Y85-G87 VanDerWaalsContact O-N 3.12Å | ||
| 88 | L | 30 | Very low | 28.1 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | trans | -96.9 | 100.3 | 153.9 | -81.3 | 160.9 | 0 | 0 | 0 | 106.7 | D86 | D86-L88 PolarHBondContact O-N 3.21Š| ||
| 89 | Q | 29.5 | Very low | 27.9 | Very low | 193 Ų | 193 | 144 Ų | 144 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -74.2 | 116.7 | 162.8 | -78.6 | 177 | -27.7 | 0 | 0 | 107.9 | ||||
| 90 | D | 26.7 | Very low | 27.6 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | trans | -84 | 110.3 | 163.4 | -76.9 | -36.7 | 0 | 0 | 0 | 108.3 | ||||
| 91 | S | 26.7 | Very low | 27.4 | Very low | 114 Ų | 114 | 146.8 Ų | 146.8 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -155.5 | 148.2 | 154.6 | -78.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 92 | P | 31.3 | Very low | 27.2 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -85.7 | 148 | -148.7 | 32.1 | -34.1 | 0 | 0 | 0 | 115 | ||||
| 93 | T | 26 | Very low | 26.9 | Very low | 137 Ų | 137 | 141.5 Ų | 141.5 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -63.3 | 125.7 | 172.1 | 12.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 94 | H | 27 | Very low | 26.5 | Very low | 195 Ų | 195 | 143.2 Ų | 143.2 | 90% | 0.903 | 79% | 0.788 | S | S | * | * | trans | -146.6 | 117.6 | 146.5 | -106.6 | -76.8 | 0 | 0 | 0 | 109.1 | ||||
| 95 | L | 26.6 | Very low | 26.4 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -82.3 | 161.5 | 162.2 | -98.5 | 164.2 | 0 | 0 | 0 | 108.2 | ||||
| 96 | P | 35.2 | Very low | 26.2 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 78% | 0.776 | S | S | * | * | -151.8 | 175.1 | 58.2 | 40.6 | -18.3 | 0 | 0 | 0 | 119.6 | |||||
| 97 | D | 25.1 | Very low | 26.1 | Very low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | 78.2 | 112.1 | 151.9 | -61.7 | -23.8 | 0 | 0 | 0 | 123.1 | ||||
| 98 | G | 22.2 | Very low | 25.9 | Very low | 69 Ų | 69 | 142.6 Ų | 142.6 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | 77.5 | 106.8 | 118.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 99 | L | 24 | Very low | 25.8 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 92% | 0.921 | 77% | 0.766 | S | S | * | * | 171.6 | 144.7 | 110.8 | -86 | 173.1 | 0 | 0 | 0 | 111.3 | |||||
| 100 | S | 22.5 | Very low | 25.7 | Very low | 97 Ų | 97 | 143.7 Ų | 143.7 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | trans | -56.2 | 144.3 | -179.3 | 53.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 101 | Y | 23.9 | Very low | 25.8 | Very low | 225 Ų | 225 | 143.3 Ų | 143.3 | 88% | 0.882 | 76% | 0.756 | S | S | * | * | trans | -155.8 | 141.7 | 131 | -145.2 | -102.8 | 0 | 0 | 0 | 112.2 | ||||
| 102 | V | 22.4 | Very low | 26.3 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | trans | -102.7 | 160.1 | -172.6 | -171 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 103 | N | 24.1 | Very low | 26.1 | Very low | 118 Ų | 118 | 145.4 Ų | 145.4 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | trans | 116.4 | 103.9 | 152.7 | -59.6 | -44.1 | 0 | 0 | 0 | 113.2 | ||||
| 104 | Q | 23.9 | Very low | 26 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | 83.9 | 144.4 | 59.4 | -159.3 | 177 | 44.2 | 0 | 0 | 111.6 | |||||
| 105 | F | 23.3 | Very low | 26 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | 86.6 | 137.9 | 172.6 | -64.5 | -84.3 | 0 | 0 | 0 | 117.3 | ||||
| 106 | D | 25.1 | Very low | 25.9 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | cis | -166.9 | 171.1 | -18.6 | -139.5 | -16.4 | 0 | 0 | 0 | 108.3 | ||||
| 107 | E | 25.2 | Very low | 25.7 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | trans | -59 | 166.2 | 179 | -57.8 | -168.8 | 140.6 | 0 | 0 | 117.4 | ||||
| 108 | N | 24.5 | Very low | 25.8 | Very low | 122 Ų | 122 | 142 Ų | 142 | 65% | 0.652 | 74% | 0.744 | S | S | * | * | trans | 104.8 | 119.8 | 132.6 | -81.8 | -43.2 | 0 | 0 | 0 | 121.2 | ||||
| 109 | R | 27 | Very low | 25.9 | Very low | 201 Ų | 201 | 144.7 Ų | 144.7 | 76% | 0.758 | 75% | 0.751 | S | S | * | * | 97.2 | 126.4 | 124.4 | -91 | 179.4 | 169.2 | -174.8 | 0.1 | 120.7 | |||||
| 110 | K | 28.1 | Very low | 26 | Very low | 173 Ų | 173 | 146.6 Ų | 146.6 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | trans | 90.3 | 106.1 | 137.3 | -71.9 | 172.2 | 177.1 | -172.9 | 0 | 118.8 | ||||
| 111 | N | 27.8 | Very low | 26.3 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | -65.7 | 151.2 | 139.6 | -152.9 | 9.4 | 0 | 0 | 0 | 108.6 | ||||
| 112 | P | 37.8 | Very low | 26.3 | Very low | 98 Ų | 98 | 142.8 Ų | 142.8 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | -149 | 162.8 | 79.3 | 35.5 | -14.7 | 0 | 0 | 0 | 117.2 | |||||
| 113 | E | 26.1 | Very low | 26.5 | Very low | 183 Ų | 183 | 141.3 Ų | 141.3 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | trans | 66.1 | 126.7 | 139.8 | -73.9 | 170.7 | -174.3 | 0 | 0 | 122.9 | ||||
| 114 | G | 23.4 | Very low | 26.6 | Very low | 78 Ų | 78 | 141.6 Ų | 141.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | 118.4 | 139.4 | 124.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 115 | A | 27.4 | Very low | 27.1 | Very low | 89 Ų | 89 | 140.7 Ų | 140.7 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | trans | 93 | 85.4 | 162 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 116 | E | 25.5 | Very low | 27.3 | Very low | 164 Ų | 164 | 141.2 Ų | 141.2 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | 22.3 | 125.2 | 116.2 | -55.9 | -176.4 | 171.4 | 0 | 0 | 119.1 | |||||
| 117 | H | 31.3 | Very low | 27.4 | Very low | 193 Ų | 193 | 141.8 Ų | 141.8 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | trans | -128.3 | 109.4 | 154.9 | -88.9 | -91.9 | 0 | 0 | 0 | 110.3 | ||||
| 118 | Q | 27.3 | Very low | 27.5 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 67% | 0.673 | 80% | 0.798 | S | S | * | * | trans | -80.2 | 147.6 | 174.9 | -68.4 | 174.9 | -2 | 0 | 0 | 111.6 | ||||
| 119 | C | 23.7 | Very low | 27.6 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 86% | 0.858 | 80% | 0.797 | S | S | * | * | trans | -68.2 | 138 | 169.9 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 120 | Y | 26.6 | Very low | 27.6 | Very low | 215 Ų | 215 | 140.7 Ų | 140.7 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | trans | -123.7 | 123.7 | 161.1 | -89.1 | -83.5 | 0 | 0 | 0 | 110.4 | ||||
| 121 | T | 27.3 | Very low | 27.5 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -92.7 | 134.9 | 162.3 | 46.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 122 | A | 25.7 | Very low | 27.4 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 88% | 0.884 | 81% | 0.811 | S | S | * | * | trans | -173.7 | 138.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 123 | G | 25.6 | Very low | 26.8 | Very low | 74 Ų | 74 | 143.2 Ų | 143.2 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | trans | 111 | 88.5 | 137.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 124 | S | 26.5 | Very low | 26.7 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 87% | 0.867 | 81% | 0.812 | S | S | * | * | trans | -70.4 | 154.4 | 149 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 125 | P | 33.8 | Very low | 27.4 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | trans | -127.6 | 160.7 | 138 | 17.9 | 2.2 | 0 | 0 | 0 | 113.7 | ||||
| 126 | Q | 27.9 | Very low | 27.2 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | trans | -91.1 | 163 | -164.5 | -60.2 | 171 | -36.7 | 0 | 0 | 115.4 | ||||
| 127 | N | 27 | Very low | 27.2 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | trans | 84.6 | 117.2 | 135.5 | -83.6 | -30 | 0 | 0 | 0 | 123.6 | ||||
| 128 | R | 27.8 | Very low | 26.9 | Very low | 254 Ų | 254 | 143.1 Ų | 143.1 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | 159.6 | 135.8 | 126 | -92.4 | -177.4 | -164 | 174.5 | 5.9 | 107.8 | |||||
| 129 | G | 25.2 | Very low | 26.8 | Very low | 62 Ų | 62 | 143.1 Ų | 143.1 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | cis | 173.9 | 177.6 | 4.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 130 | T | 28.4 | Very low | 26.9 | Very low | 139 Ų | 139 | 141.6 Ų | 141.6 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | 72.9 | 97.8 | 172.6 | 68.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 131 | E | 26 | Very low | 26.8 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | 66.8 | 108.5 | 71.9 | -66.2 | -162.4 | 173 | 0 | 0 | 115.1 | |||||
| 132 | E | 24.5 | Very low | 26.7 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | -179.5 | 116.3 | 115.6 | -94.2 | -172.6 | 174.3 | 0 | 0 | 113.4 | |||||
| 133 | S | 26.1 | Very low | 26.7 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 69% | 0.685 | 80% | 0.8 | S | S | * | * | trans | 28.6 | 113.7 | 143.9 | 44.2 | 0 | 0 | 0 | 0 | 125 | ||||
| 134 | S | 22.9 | Very low | 26.7 | Very low | 118 Ų | 118 | 140.1 Ų | 140.1 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | 45.2 | 165.4 | 110 | -64.7 | 0 | 0 | 0 | 0 | 123 | |||||
| 135 | P | 38.3 | Very low | 26.8 | Very low | 112 Ų | 112 | 143.6 Ų | 143.6 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | cis | -140.7 | 164.7 | -14 | 26.8 | -2.1 | 0 | 0 | 0 | 117.7 | ||||
| 136 | V | 24.1 | Very low | 26.3 | Very low | 121 Ų | 121 | 147 Ų | 147 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | 49.2 | 127.3 | 131.8 | -176.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 137 | R | 25 | Very low | 26.3 | Very low | 247 Ų | 247 | 144 Ų | 144 | 93% | 0.932 | 81% | 0.805 | S | S | * | * | -157.3 | 131.4 | 124.1 | -110.9 | 175.6 | 176.4 | -141 | -1.9 | 113.7 | |||||
| 138 | T | 25.3 | Very low | 26.2 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 66% | 0.663 | 80% | 0.803 | S | S | * | * | trans | -90.5 | 162.4 | 178.2 | 50.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 139 | N | 25 | Very low | 26.2 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | 156.4 | 105.4 | 140.2 | -78.8 | -5.6 | 0 | 0 | 0 | 108.3 | ||||
| 140 | S | 26.5 | Very low | 26.3 | Very low | 95 Ų | 95 | 141.5 Ų | 141.5 | 66% | 0.664 | 81% | 0.811 | S | S | * | * | 76.2 | 106.3 | 78.6 | 71.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 141 | D | 23.7 | Very low | 26.3 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | 25 | 124 | 143.9 | -53.9 | -31.4 | 0 | 0 | 0 | 121 | ||||
| 142 | V | 26.4 | Very low | 26.2 | Very low | 145 Ų | 145 | 139.4 Ų | 139.4 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -147 | 127.5 | 137.3 | -171.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 143 | S | 25.2 | Very low | 26.9 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -73.9 | 149.9 | 171.3 | 41 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 144 | G | 24.9 | Very low | 27.7 | Very low | 80 Ų | 80 | 142.3 Ų | 142.3 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 177.9 | 99.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 145 | E | 28 | Very low | 28.2 | Very low | 198 Ų | 198 | 140.7 Ų | 140.7 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -69.3 | 126.3 | 164.9 | -66.5 | 176.5 | 145.7 | 0 | 0 | 110 | ||||
| 146 | F | 24.4 | Very low | 28 | Very low | 200 Ų | 200 | 144.9 Ų | 144.9 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -159.1 | 135.2 | 142.6 | -148.2 | -101.4 | 0 | 0 | 0 | 112 | ||||
| 147 | S | 26.8 | Very low | 28.1 | Very low | 112 Ų | 112 | 147.3 Ų | 147.3 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -57.7 | 139.1 | 178.4 | -50.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 148 | G | 26.1 | Very low | 28.2 | Very low | 70 Ų | 70 | 144.7 Ų | 144.7 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -179.5 | 92.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L150 | G148-L150 PolarHBondContact O-N 3.12Š| ||
| 149 | L | 27.8 | Very low | 28.4 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -56 | 115.1 | 163.2 | -82.8 | 150.6 | 0 | 0 | 0 | 109.1 | ||||
| 150 | L | 26.1 | Very low | 28.7 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | trans | -120.5 | 111.7 | 159.2 | -78.4 | 170.8 | 0 | 0 | 0 | 107.8 | G148 | G148-L150 PolarHBondContact O-N 3.12Š| ||
| 151 | I | 29 | Very low | 28.7 | Very low | 154 Ų | 154 | 149 Ų | 149 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -85.8 | 127 | 179.3 | -55.5 | 163.1 | 0 | 0 | 0 | 106.2 | ||||
| 152 | D | 25.1 | Very low | 28.8 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 68% | 0.684 | 82% | 0.815 | S | S | * | * | trans | -94.2 | 149.1 | 169.1 | 56.1 | -8.9 | 0 | 0 | 0 | 111.3 | E154 | D152-E154 PolarHBondContact O-N 3.05Š| ||
| 153 | E | 37.7 | Very low | 28.8 | Very low | 205 Ų | 205 | 151.4 Ų | 151.4 | 96% | 0.958 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -71.1 | 20.6 | -169.2 | -73 | -155.8 | 136.1 | 0 | 0 | 116 | ||
| 154 | E | 42.5 | Very low | 28.7 | Very low | 138 Ų | 138 | 156 Ų | 156 | 65% | 0.645 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -125.1 | 58 | -175 | -73.2 | -98 | 154.2 | 0 | 0 | 110.5 | D152 Y156 | D152-E154 PolarHBondContact O-N 3.05Å; E154-Y156 WeakPolarHBondContact O-CD2 3.43Å; E154-Y156 PolarHBondContact O-N 3.16Å |
| 155 | G | 34.6 | Very low | 28.7 | Very low | 85 Ų | 85 | 157.7 Ų | 157.7 | 88% | 0.876 | 81% | 0.814 | S | S | * | * | trans | -44.7 | 86.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 156 | Y | 32.7 | Very low | 28.7 | Very low | 199 Ų | 199 | 156.8 Ų | 156.8 | 78% | 0.78 | 81% | 0.81 | S | S | * | * | trans | -113.2 | 112.7 | 168.5 | -76.8 | -78.8 | 0 | 0 | 0 | 110 | E154 | E154-Y156 WeakPolarHBondContact O-CD2 3.43Å; E154-Y156 PolarHBondContact O-N 3.16Å | ||
| 157 | L | 27.8 | Very low | 28.8 | Very low | 173 Ų | 173 | 155.6 Ų | 155.6 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -87.8 | 120.5 | 153.2 | -76.2 | 169.9 | 0 | 0 | 0 | 107.9 | ||||
| 158 | Q | 26.8 | Very low | 28.8 | Very low | 191 Ų | 191 | 157.3 Ų | 157.3 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -92.9 | 111.6 | 171.5 | -154.3 | 165.9 | 9.2 | 0 | 0 | 107.2 | ||||
| 159 | E | 30.2 | Very low | 28.8 | Very low | 176 Ų | 176 | 159.6 Ų | 159.6 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | -64.1 | 138.2 | 176.7 | -72.3 | -91.2 | 145.5 | 0 | 0 | 110.7 | ||||
| 160 | P | 30.6 | Very low | 28.7 | Very low | 105 Ų | 105 | 155.5 Ų | 155.5 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | trans | -73.1 | 138.6 | -177 | 27.7 | -31.9 | 0 | 0 | 0 | 112.8 | I162 | P160-I162 PolarHBondContact O-N 2.75Å; P160-I162 VanDerWaalsContact O-N 3.15Å | ||
| 161 | N | 25.9 | Very low | 28.7 | Very low | 157 Ų | 157 | 154.9 Ų | 154.9 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -73.4 | 93.6 | -178.8 | -153.8 | -13.8 | 0 | 0 | 0 | 109.7 | R163 | N161-R163 PolarHBondContact O-N 2.8Š| ||
| 162 | I | 26.9 | Very low | 28.6 | Very low | 124 Ų | 124 | 155.3 Ų | 155.3 | 64% | 0.636 | 81% | 0.809 | S | S | * | * | trans | -82.8 | 102.6 | 175.6 | -56 | 179.5 | 0 | 0 | 0 | 109 | P160 Y164 | P160-I162 PolarHBondContact O-N 2.75Å; P160-I162 VanDerWaalsContact O-N 3.15Å; I162-Y164 HydrophobicContact CG2-CD2 3.6Å; I162-Y164 HydrophobicContact CG2-CE2 3.46Å; I162-Y164 VanDerWaalsContact CG2-CE2 3.46Å | ||
| 163 | R | 25.1 | Very low | 28.5 | Very low | 229 Ų | 229 | 152.5 Ų | 152.5 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -73 | 117.6 | 161.2 | -75.4 | -171.6 | 179.4 | -171.4 | 1.4 | 108.6 | N161 | N161-R163 PolarHBondContact O-N 2.8Š| ||
| 164 | Y | 23.8 | Very low | 27.9 | Very low | 214 Ų | 214 | 148.2 Ų | 148.2 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | -102 | 112 | 153.5 | -84.4 | -84.3 | 0 | 0 | 0 | 107.8 | I162 | I162-Y164 HydrophobicContact CG2-CD2 3.6Å; I162-Y164 HydrophobicContact CG2-CE2 3.46Å; I162-Y164 VanDerWaalsContact CG2-CE2 3.46Å | ||
| 165 | S | 26 | Very low | 27.1 | Very low | 115 Ų | 115 | 152.6 Ų | 152.6 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -106.1 | 104.5 | 161 | 53 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 166 | E | 27.3 | Very low | 26.6 | Very low | 179 Ų | 179 | 157.4 Ų | 157.4 | 84% | 0.836 | 82% | 0.816 | S | S | * | * | trans | -88.4 | 135.6 | 156.4 | -77.5 | -179.5 | 148.9 | 0 | 0 | 107.6 | ||||
| 167 | Q | 26.5 | Very low | 26.3 | Very low | 176 Ų | 176 | 153.5 Ų | 153.5 | 82% | 0.822 | 82% | 0.818 | S | S | * | * | trans | -166.7 | 127.1 | 134.4 | -106.7 | -177.6 | -10.8 | 0 | 0 | 112.8 | ||||
| 168 | I | 26.9 | Very low | 26.2 | Very low | 147 Ų | 147 | 154.8 Ų | 154.8 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | trans | 100.6 | 117.4 | 136.1 | -64.2 | 169.6 | 0 | 0 | 0 | 119.3 | ||||
| 169 | S | 25.7 | Very low | 26.2 | Very low | 118 Ų | 118 | 157.8 Ų | 157.8 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | trans | -63.8 | 145.5 | 159.4 | -41.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 170 | G | 25.6 | Very low | 25.9 | Very low | 80 Ų | 80 | 152.6 Ų | 152.6 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | 169.9 | 116.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 171 | D | 26.2 | Very low | 25.7 | Very low | 159 Ų | 159 | 157.2 Ų | 157.2 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -68 | 171.7 | -171.4 | -124.3 | -31.1 | 0 | 0 | 0 | 116.8 | ||||
| 172 | L | 27.6 | Very low | 25.7 | Very low | 163 Ų | 163 | 158.5 Ų | 158.5 | 85% | 0.853 | 83% | 0.827 | S | S | * | * | trans | 104.4 | 107.4 | 157.1 | -55.6 | -178.2 | 0 | 0 | 0 | 119.2 | ||||
| 173 | G | 23.2 | Very low | 25.6 | Very low | 70 Ų | 70 | 158.6 Ų | 158.6 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | 107.3 | 110.2 | 115 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 174 | S | 25.1 | Very low | 25.6 | Very low | 114 Ų | 114 | 155 Ų | 155 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | 94 | 122.3 | 137.2 | -62 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 175 | R | 25.5 | Very low | 25.4 | Very low | 230 Ų | 230 | 153.6 Ų | 153.6 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | trans | 86.3 | 100.8 | 136.3 | -70.5 | 168.4 | 92.9 | 143.7 | 3.2 | 120.1 | ||||
| 176 | M | 23.8 | Very low | 25.9 | Very low | 186 Ų | 186 | 153.3 Ų | 153.3 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | 28 | 128 | 122 | -60.8 | -170.6 | 173.1 | 0 | 0 | 118.8 | |||||
| 177 | S | 25 | Very low | 25.8 | Very low | 117 Ų | 117 | 151 Ų | 151 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | 171 | 152.2 | 93.1 | -161.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 178 | F | 26.5 | Very low | 25.8 | Very low | 201 Ų | 201 | 147.9 Ų | 147.9 | 88% | 0.882 | 82% | 0.823 | S | S | * | * | trans | -69.3 | 155.4 | -174.6 | -81.6 | -108.1 | 0 | 0 | 0 | 115.2 | ||||
| 179 | R | 27.8 | Very low | 25.6 | Very low | 253 Ų | 253 | 145.7 Ų | 145.7 | 96% | 0.955 | 82% | 0.82 | S | S | * | * | trans | -158.5 | 119.5 | 133.3 | -116.6 | -178.9 | -174.4 | -162 | 1.3 | 110.5 | ||||
| 180 | G | 23.5 | Very low | 25.6 | Very low | 67 Ų | 67 | 149.5 Ų | 149.5 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | -91.5 | 170.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 181 | Q | 26.7 | Very low | 25.6 | Very low | 203 Ų | 203 | 153.9 Ų | 153.9 | 95% | 0.949 | 82% | 0.817 | S | S | * | * | trans | -164.2 | 120.7 | 135 | -120.6 | 168.8 | -15.4 | 0 | 0 | 110.3 | ||||
| 182 | E | 25.3 | Very low | 25.7 | Very low | 183 Ų | 183 | 151.3 Ų | 151.3 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -78.5 | 155.3 | 170.7 | -60.3 | 170.8 | 132.3 | 0 | 0 | 111.2 | ||||
| 183 | V | 24.9 | Very low | 25.8 | Very low | 126 Ų | 126 | 149 Ų | 149 | 76% | 0.764 | 81% | 0.809 | S | S | * | * | trans | -154.4 | 104.9 | 138.9 | -167.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 184 | Q | 24.3 | Very low | 26 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | trans | 58.7 | 114.5 | 131.1 | -53.2 | -179.2 | -40.1 | 0 | 0 | 122.9 | ||||
| 185 | F | 20.7 | Very low | 26.6 | Very low | 184 Ų | 184 | 149.4 Ų | 149.4 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | 95.7 | 158.5 | 78.6 | -74.5 | -51.9 | 0 | 0 | 0 | 113.5 | |||||
| 186 | P | 35.8 | Very low | 26.8 | Very low | 108 Ų | 108 | 148.5 Ų | 148.5 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | cis | -138.4 | 158.2 | 5 | 37.6 | -16.6 | 0 | 0 | 0 | 118.5 | ||||
| 187 | T | 26 | Very low | 27.2 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 34.4 | 128.1 | 139.7 | 67.3 | 0 | 0 | 0 | 0 | 124 | ||||
| 188 | A | 24.8 | Very low | 27.8 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | -164.2 | 137.7 | 118.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 189 | S | 24.5 | Very low | 28.4 | Very low | 100 Ų | 100 | 139.8 Ų | 139.8 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -116.6 | 160.1 | -179.8 | 51 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 190 | Y | 24.6 | Very low | 29.2 | Very low | 198 Ų | 198 | 134.6 Ų | 134.6 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 78 | 133.1 | 167.8 | 98.8 | -103.2 | 0 | 0 | 0 | 115.1 | ||||
| 191 | E | 25.4 | Very low | 30.1 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | cis | -152.6 | 171.7 | 32.1 | -123.1 | 154.8 | -149.3 | 0 | 0 | 113.2 | ||||
| 192 | S | 28 | Very low | 30.8 | Very low | 105 Ų | 105 | 136.5 Ų | 136.5 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -67 | 154.4 | -168.2 | -64.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 193 | S | 31.1 | Very low | 31.5 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | 68.2 | 111.9 | 141.9 | 42.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 194 | A | 27.9 | Very low | 32.2 | Very low | 96 Ų | 96 | 135 Ų | 135 | 79% | 0.793 | 74% | 0.74 | S | S | * | * | 164.8 | 143.9 | 99.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 195 | S | 36.5 | Very low | 32.8 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | trans | 66.1 | 102.5 | 157.7 | -178 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 196 | Y | 28.9 | Very low | 33.6 | Very low | 211 Ų | 211 | 131.5 Ų | 131.5 | 83% | 0.827 | 73% | 0.726 | S | S | * | * | trans | 154.3 | 69.1 | 136.1 | -90.8 | -77.8 | 0 | 0 | 0 | 108.4 | ||||
| 197 | G | 32.4 | Very low | 33.5 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 72% | 0.72 | S | S | * | * | trans | -94.3 | 83.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 198 | E | 38.1 | Very low | 33.9 | Very low | 142 Ų | 142 | 130.9 Ų | 130.9 | 66% | 0.664 | 71% | 0.708 | S | S | * | * | trans | -102.7 | 91.2 | 158.6 | -80.1 | -169.6 | -176.9 | 0 | 0 | 107.7 | R203 | E198-R203 IonicContact OE2-NH2 3.56Å; E198-R203 PolarHBondContact OE2-NH2 3.21Å | ||
| 199 | T | 40.3 | Very low | 34.2 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 63% | 0.626 | 69% | 0.686 | S | S | * | * | trans | -75.1 | 135.5 | 171.1 | 45.6 | 0 | 0 | 0 | 0 | 109.4 | Q201 Q202 | T199-Q201 PolarHBondContact O-N 3.13Å; T199-Q202 PolarHBondContact O-N 3.41Å | ||
| 200 | L | 42.7 | Very low | 34.7 | Very low | 144 Ų | 144 | 129.9 Ų | 129.9 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.1 | -4.2 | 178 | -129.8 | 102.6 | 0 | 0 | 0 | 115.3 | ||
| 201 | Q | 42.4 | Very low | 35.2 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 73% | 0.734 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -76.2 | -30.6 | -179.9 | -145.8 | 94.2 | 2.1 | 0 | 0 | 113.1 | T199 | T199-Q201 PolarHBondContact O-N 3.13Å |
| 202 | Q | 41.3 | Very low | 35.4 | Very low | 153 Ų | 153 | 125 Ų | 125 | 72% | 0.715 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -84.9 | -23.9 | -179.1 | -78.3 | 177.1 | -11.6 | 0 | 0 | 113.5 | T199 L204 H205 | T199-Q202 PolarHBondContact O-N 3.41Å; Q202-L204 VanDerWaalsContact C-N 3.34Å; Q202-H205 PolarHBondContact O-N 3.5Å |
| 203 | R | 41.2 | Very low | 35.6 | Very low | 173 Ų | 173 | 124.4 Ų | 124.4 | 65% | 0.653 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.3 | -26 | 178 | -155 | 174.1 | -67.6 | -175.9 | 0.3 | 112.7 | E198 | E198-R203 IonicContact OE2-NH2 3.56Å; E198-R203 PolarHBondContact OE2-NH2 3.21Å |
| 204 | L | 39.3 | Very low | 35.9 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 55% | 0.55 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -76.4 | -24.8 | 174.9 | -74.7 | 165 | 0 | 0 | 0 | 113.1 | Q202 N208 | Q202-L204 VanDerWaalsContact C-N 3.34Å; L204-N208 PolarHBondContact O-ND2 2.86Å |
| 205 | H | 37 | Very low | 36.1 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 68% | 0.681 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -82.7 | -28.1 | -179.4 | -136.9 | -66.7 | 0 | 0 | 0 | 113.2 | Q202 S209 | Q202-H205 PolarHBondContact O-N 3.5Å; H205-S209 PolarHBondContact O-N 2.97Å |
| 206 | H | 36.6 | Very low | 35.9 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 55% | 0.551 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -81.5 | -27.2 | 177.8 | -153.8 | -56 | 0 | 0 | 0 | 113.1 | N208 S209 E210 | H206-N208 VanDerWaalsContact C-N 3.33Å; H206-S209 PolarHBondContact O-OG 2.85Å; H206-E210 IonicContact CE1-OE1 3.77Å; H206-E210 IonicContact ND1-OE1 3.25Å |
| 207 | Q | 34.6 | Very low | 36.1 | Very low | 123 Ų | 123 | 125 Ų | 125 | 58% | 0.575 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -76.6 | -20 | 171.1 | -85.1 | -177 | -25.6 | 0 | 0 | 113.2 | N211 | Q207-N211 PolarHBondContact O-ND2 3.25Å |
| 208 | N | 34.8 | Very low | 36 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 55% | 0.551 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -84.7 | -31 | 175 | -79.3 | -15.8 | 0 | 0 | 0 | 112.9 | L204 H206 N211 E212 | L204-N208 PolarHBondContact O-ND2 2.86Å; H206-N208 VanDerWaalsContact C-N 3.33Å; N208-N211 PolarHBondContact O-N 3.08Å; N208-E212 PolarHBondContact O-N 3.34Å |
| 209 | S | 31.8 | Very low | 36.1 | Very low | 64 Ų | 64 | 126.3 Ų | 126.3 | 45% | 0.448 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -74 | -28.4 | 176.6 | 67.8 | 0 | 0 | 0 | 0 | 113.6 | H205 H206 | H205-S209 PolarHBondContact O-N 2.97Å; H206-S209 PolarHBondContact O-OG 2.85Å |
| 210 | E | 33.9 | Very low | 36 | Very low | 126 Ų | 126 | 129.2 Ų | 129.2 | 59% | 0.589 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -79.4 | -21.5 | 174.9 | -69.5 | -173.8 | 171.6 | 0 | 0 | 113.2 | H206 | H206-E210 IonicContact CE1-OE1 3.77Å; H206-E210 IonicContact ND1-OE1 3.25Å |
| 211 | N | 34.3 | Very low | 35.4 | Very low | 107 Ų | 107 | 125 Ų | 125 | 57% | 0.572 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -87.7 | -19.9 | 176.4 | -78.5 | -40.1 | 0 | 0 | 0 | 113.3 | Q207 N208 A213 R214 | Q207-N211 PolarHBondContact O-ND2 3.25Å; N208-N211 PolarHBondContact O-N 3.08Å; N211-A213 VanDerWaalsContact C-N 3.35Å; N211-R214 PolarHBondContact O-N 3.36Å |
| 212 | E | 30.4 | Very low | 35 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 75% | 0.748 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -74.7 | -20.7 | 173.6 | -81.5 | -177.3 | 153.6 | 0 | 0 | 113.6 | N208 R214 | N208-E212 PolarHBondContact O-N 3.34Å; E212-R214 VanDerWaalsContact C-N 3.31Å; E212-R214 PolarHBondContact O-N 2.83Å |
| 213 | A | 32.3 | Very low | 34.6 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 78% | 0.777 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -4.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | N211 | N211-A213 VanDerWaalsContact C-N 3.35Š|
| 214 | R | 37.8 | Very low | 34.2 | Very low | 233 Ų | 233 | 123.3 Ų | 123.3 | 88% | 0.879 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -120.5 | 4.4 | -179.8 | -94.8 | 178.4 | 164.5 | 172.6 | -2.4 | 115 | N211 E212 S216 | N211-R214 PolarHBondContact O-N 3.36Å; E212-R214 VanDerWaalsContact C-N 3.31Å; E212-R214 PolarHBondContact O-N 2.83Å; R214-S216 PolarHBondContact O-N 3.11Å |
| 215 | S | 32.3 | Very low | 34 | Very low | 83 Ų | 83 | 124.1 Ų | 124.1 | 58% | 0.58 | 66% | 0.655 | S | S | * | * | trans | -98.9 | 77.6 | 173.5 | -156 | 0 | 0 | 0 | 0 | 110.6 | T217 | S215-T217 PolarHBondContact O-N 2.71Å; S215-T217 VanDerWaalsContact O-N 3.09Å | ||
| 216 | S | 32.3 | Very low | 34 | Very low | 120 Ų | 120 | 122.3 Ų | 122.3 | 84% | 0.839 | 66% | 0.656 | S | S | * | * | trans | -68.2 | 103.3 | 157.2 | 171.9 | 0 | 0 | 0 | 0 | 107 | R214 H218 | R214-S216 PolarHBondContact O-N 3.11Å; S216-H218 PolarHBondContact O-N 3.2Å | ||
| 217 | T | 31.3 | Very low | 33.9 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 57% | 0.571 | 67% | 0.666 | S | S | * | * | trans | -55.8 | 116.6 | -177.8 | 43.3 | 0 | 0 | 0 | 0 | 112.1 | S215 | S215-T217 PolarHBondContact O-N 2.71Å; S215-T217 VanDerWaalsContact O-N 3.09Å | ||
| 218 | H | 30.6 | Very low | 34.2 | Very low | 108 Ų | 108 | 122.9 Ų | 122.9 | 50% | 0.5 | 68% | 0.675 | S | S | . | * | trans | -98.6 | 74.4 | 161.5 | -169.7 | -92.2 | 0 | 0 | 0 | 108.5 | S216 H220 H238 | S216-H218 PolarHBondContact O-N 3.2Å; H218-H220 PolarHBondContact O-N 2.71Å; H218-H238 AromaticContact CE1-CD2 3.58Å; H218-H238 AromaticContact CE1-CE1 3.87Å; H218-H238 AromaticContact CE1-CG 3.71Å; H218-H238 AromaticContact CE1-ND1 3.88Å; H218-H238 AromaticContact CE1-NE2 3.71Å; H218-H238 AromaticContact NE2-CD2 3.95Å; H218-H238 AromaticContact NE2-CG 3.77Å | ||
| 219 | N | 40.4 | Very low | 34.7 | Very low | 139 Ų | 139 | 124.1 Ų | 124.1 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 32.3 | -173.9 | -77.2 | -22.7 | 0 | 0 | 0 | 114.9 | ||
| 220 | H | 37.6 | Very low | 35.1 | Very low | 162 Ų | 162 | 124.6 Ų | 124.6 | 75% | 0.75 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.5 | -5.1 | 178 | -152.7 | -52.1 | 0 | 0 | 0 | 114.7 | H218 | H218-H220 PolarHBondContact O-N 2.71Š|
| 221 | C | 31.9 | Very low | 35.4 | Very low | 57 Ų | 57 | 126 Ų | 126 | 39% | 0.385 | 70% | 0.695 | S | S | . | * | trans | -137.8 | 103.8 | 174.2 | -87.5 | 0 | 0 | 0 | 0 | 111.2 | T223 | C221-T223 PolarHBondContact O-N 2.74Š| ||
| 222 | F | 34.2 | Very low | 35.7 | Very low | 212 Ų | 212 | 130.1 Ų | 130.1 | 93% | 0.93 | 71% | 0.707 | S | S | * | * | trans | -72.8 | 76.2 | 163.5 | -84.9 | -88 | 0 | 0 | 0 | 109.6 | ||||
| 223 | T | 33 | Very low | 36.5 | Very low | 87 Ų | 87 | 126.9 Ų | 126.9 | 53% | 0.534 | 70% | 0.7 | S | S | . | * | trans | -134.1 | 93.9 | 161.6 | 48.1 | 0 | 0 | 0 | 0 | 108.2 | C221 L225 | C221-T223 PolarHBondContact O-N 2.74Å; T223-L225 PolarHBondContact O-N 3.36Å; T223-L225 VanDerWaalsContact O-N 3.16Å | ||
| 224 | T | 31.9 | Very low | 36.9 | Very low | 147 Ų | 147 | 125.7 Ų | 125.7 | 90% | 0.902 | 68% | 0.678 | S | S | * | * | trans | -68.7 | 101.8 | 165.9 | 20.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 225 | L | 34.6 | Very low | 37 | Very low | 123 Ų | 123 | 122.7 Ų | 122.7 | 64% | 0.644 | 67% | 0.672 | S | S | * | * | trans | -89.8 | 120.3 | 169.4 | -71 | 171.7 | 0 | 0 | 0 | 108.6 | T223 | T223-L225 PolarHBondContact O-N 3.36Å; T223-L225 VanDerWaalsContact O-N 3.16Å | ||
| 226 | P | 37.3 | Very low | 37.7 | Very low | 108 Ų | 108 | 126 Ų | 126 | 70% | 0.701 | 68% | 0.677 | S | S | * | * | trans | -74.8 | 135.5 | 169.6 | 29.8 | -28.1 | 0 | 0 | 0 | 108.8 | ||||
| 227 | N | 35.7 | Very low | 38.4 | Very low | 142 Ų | 142 | 124.5 Ų | 124.5 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 97 | 122 | 171.9 | -53.1 | -22.7 | 0 | 0 | 0 | 116.9 | V229 | N227-V229 PolarHBondContact O-N 2.82Š|
| 228 | S | 40.8 | Very low | 39 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 78% | 0.783 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 22.4 | -167.9 | 47.8 | 0 | 0 | 0 | 0 | 116.4 | ||
| 229 | V | 43.4 | Very low | 39.4 | Very low | 130 Ų | 130 | 127.1 Ų | 127.1 | 79% | 0.788 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -10.6 | -173.8 | -171.6 | 0 | 0 | 0 | 0 | 113.9 | N227 | N227-V229 PolarHBondContact O-N 2.82Š|
| 230 | S | 40.3 | Very low | 39.7 | Very low | 73 Ų | 73 | 123.4 Ų | 123.4 | 51% | 0.51 | 67% | 0.665 | S | S | . | * | trans | -121.2 | 20.3 | -172.6 | -68.8 | 0 | 0 | 0 | 0 | 116.3 | K232 P233 | S230-K232 PolarHBondContact O-N 3.2Å; S230-P233 WeakPolarHBondContact O-CD 3.49Å | ||
| 231 | F | 41.9 | Very low | 39.9 | Very low | 157 Ų | 157 | 123 Ų | 123 | 69% | 0.689 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69.9 | -28.7 | 178.2 | -97.4 | -89.7 | 0 | 0 | 0 | 114.2 | ||
| 232 | K | 40.7 | Very low | 40.5 | Very low | 193 Ų | 193 | 123.6 Ų | 123.6 | 84% | 0.839 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -66.8 | -44.8 | -177.8 | -70.5 | -176.1 | -179.8 | 177.5 | 0 | 114.2 | S230 | S230-K232 PolarHBondContact O-N 3.2Å |
| 233 | P | 45.7 | Very low | 41.2 | Very low | 91 Ų | 91 | 123 Ų | 123 | 59% | 0.591 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -76.5 | -24.6 | 178.4 | 26.3 | -33.2 | 0 | 0 | 0 | 114.4 | S230 | S230-P233 WeakPolarHBondContact O-CD 3.49Å |
| 234 | H | 41.9 | Very low | 41.9 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 32% | 0.319 | 70% | 0.701 | S | S | . | * | H | α-helix | trans | -72.9 | -38.7 | -177.8 | -176.7 | 68.8 | 0 | 0 | 0 | 112.7 | Q236 S237 H238 | H234-Q236 PolarHBondContact O-N 3.47Å; H234-S237 VanDerWaalsContact O-CB 3.31Å; H234-S237 WeakPolarHBondContact O-CB 3.33Å; H234-S237 PolarHBondContact O-N 2.8Å; H234-H238 AromaticContact CE1-NE2 3.9Å; H234-H238 AromaticContact NE2-NE2 3.98Å |
| 235 | K | 39.7 | Very low | 42.6 | Very low | 171 Ų | 171 | 119.3 Ų | 119.3 | 74% | 0.743 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65.1 | -22.6 | 178.4 | -153.7 | 174.3 | -173.9 | 177.4 | 0 | 113.1 | S237 | K235-S237 VanDerWaalsContact C-N 3.28Å; K235-S237 PolarHBondContact O-N 3.12Å |
| 236 | Q | 47.5 | Very low | 43.6 | Very low | 151 Ų | 151 | 116.7 Ų | 116.7 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -16.5 | 175.3 | -153.9 | 75.4 | 13.4 | 0 | 0 | 112.8 | H234 | H234-Q236 PolarHBondContact O-N 3.47Š|
| 237 | S | 45.5 | Very low | 45.2 | Very low | 90 Ų | 90 | 115.9 Ų | 115.9 | 63% | 0.629 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -18.3 | -176.6 | -169.4 | 0 | 0 | 0 | 0 | 114 | H234 K235 | H234-S237 VanDerWaalsContact O-CB 3.31Å; H234-S237 WeakPolarHBondContact O-CB 3.33Å; H234-S237 PolarHBondContact O-N 2.8Å; K235-S237 VanDerWaalsContact C-N 3.28Å; K235-S237 PolarHBondContact O-N 3.12Å |
| 238 | H | 45.2 | Very low | 46.9 | Very low | 80 Ų | 80 | 113 Ų | 113 | 37% | 0.37 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -103.5 | 1.9 | -176 | -72.9 | -73.6 | 0 | 0 | 0 | 114.4 | H218 H234 G240 | H218-H238 AromaticContact CE1-CD2 3.58Å; H218-H238 AromaticContact CE1-CE1 3.87Å; H218-H238 AromaticContact CE1-CG 3.71Å; H218-H238 AromaticContact CE1-ND1 3.88Å; H218-H238 AromaticContact CE1-NE2 3.71Å; H218-H238 AromaticContact NE2-CD2 3.95Å; H218-H238 AromaticContact NE2-CG 3.77Å; H234-H238 AromaticContact CE1-NE2 3.9Å; H234-H238 AromaticContact NE2-NE2 3.98Å; H238-G240 PolarHBondContact O-N 2.83Å |
| 239 | K | 38.1 | Very low | 48.5 | Very low | 176 Ų | 176 | 107.7 Ų | 107.7 | 77% | 0.765 | 61% | 0.608 | S | S | * | * | trans | -87.2 | 87.6 | 169.7 | -72.2 | -170.2 | 175.9 | -171.2 | 0 | 109.6 | ||||
| 240 | G | 46.8 | Very low | 50 | Low | 61 Ų | 61 | 108.9 Ų | 108.9 | 63% | 0.629 | 61% | 0.61 | S | S | * | * | trans | -75.1 | 140.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | H238 | H238-G240 PolarHBondContact O-N 2.83Š| ||
| 241 | T | 41 | Very low | 51.4 | Low | 152 Ų | 152 | 111.4 Ų | 111.4 | 93% | 0.933 | 61% | 0.613 | S | S | * | * | S | Bend | trans | 92.9 | 123.4 | 169.3 | 74.4 | 0 | 0 | 0 | 0 | 117.7 | ||
| 242 | G | 44.3 | Very low | 52.8 | Low | 71 Ų | 71 | 106.5 Ų | 106.5 | 73% | 0.732 | 60% | 0.598 | S | S | * | * | S | Bend | trans | 104.5 | 89.8 | 162.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 243 | Q | 49.3 | Very low | 54.1 | Low | 199 Ų | 199 | 99.7 Ų | 99.7 | 93% | 0.93 | 58% | 0.583 | S | S | * | * | trans | 60.5 | 61.1 | 164.3 | -60.5 | -178.6 | -22.8 | 0 | 0 | 116.4 | S245 | Q243-S245 PolarHBondContact O-N 3.42Š| ||
| 244 | G | 48.1 | Very low | 55 | Low | 73 Ų | 73 | 101.2 Ų | 101.2 | 75% | 0.753 | 58% | 0.58 | S | S | * | * | trans | -79.1 | 110.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | S246 | G244-S246 PolarHBondContact O-N 3.29Š| ||
| 245 | S | 47.6 | Very low | 56.2 | Low | 83 Ų | 83 | 102 Ų | 102 | 58% | 0.58 | 59% | 0.59 | S | S | * | * | trans | -44.9 | 106.3 | 173.7 | 58.3 | 0 | 0 | 0 | 0 | 110.2 | Q243 Y247 | Q243-S245 PolarHBondContact O-N 3.42Å; S245-Y247 WeakPolarHBondContact O-CD2 3.43Å; S245-Y247 WeakPolarHBondContact O-CE2 3.39Å | ||
| 246 | S | 54.1 | Low | 57.7 | Low | 68 Ų | 68 | 95.9 Ų | 95.9 | 48% | 0.476 | 56% | 0.563 | S | S | . | * | trans | -84.3 | 128.8 | -179.7 | 69 | 0 | 0 | 0 | 0 | 108 | G244 I248 T255 | G244-S246 PolarHBondContact O-N 3.29Å; S246-I248 PolarHBondContact O-N 3.05Å; S246-T255 VanDerWaalsContact CB-CG2 3.45Å | ||
| 247 | Y | 71.2 | Confident | 58.9 | Low | 92 Ų | 92 | 94.4 Ų | 94.4 | 36% | 0.361 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.2 | 106 | -175.2 | -68 | -85.8 | 0 | 0 | 0 | 108.3 | S245 T255 F256 A259 L262 | S245-Y247 WeakPolarHBondContact O-CD2 3.43Å; S245-Y247 WeakPolarHBondContact O-CE2 3.39Å; Y247-T255 CarbonylContact O-C 3.55Å; Y247-F256 PolarHBondContact N-O 3.31Å; Y247-F256 WeakPolarHBondContact O-CD2 3.49Å; Y247-F256 PolarHBondContact O-N 3.23Å; Y247-A259 HydrophobicContact CD1-CB 3.86Å; Y247-A259 HydrophobicContact CD2-CB 4.28Å; Y247-A259 HydrophobicContact CE1-CB 3.53Å; Y247-A259 HydrophobicContact CE2-CB 4Å; Y247-A259 HydrophobicContact CG-CB 4.21Å; Y247-L262 HydrophobicContact CD1-CD2 4.49Å |
| 248 | I | 71.7 | Confident | 60.2 | Low | 81 Ų | 81 | 95.1 Ų | 95.1 | 42% | 0.415 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 134.8 | -176.5 | -55.3 | 173.4 | 0 | 0 | 0 | 109.6 | S246 N250 K254 T255 | S246-I248 PolarHBondContact O-N 3.05Å; I248-N250 PolarHBondContact O-N 2.78Å; I248-K254 CarbonylContact C-O 3.57Å; I248-K254 WeakPolarHBondContact CA-O 3.43Å; I248-T255 HydrophobicContact CG1-CG2 4.34Å |
| 249 | C | 74.9 | Confident | 61.4 | Low | 1 Ų | 1 | 93 Ų | 93 | 1% | 0.007 | 55% | 0.554 | C | S | . | * | trans | -78.8 | 112.2 | 169.7 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | Q251 C252 G253 K254 F256 L262 H269 | C249-Q251 PolarHBondContact O-N 2.89Å; C249-C252 PolarHBondContact O-N 3.09Å; C249-C252 VanDerWaalsContact SG-SG 3.64Å; C249-G253 WeakPolarHBondContact O-CA 3.34Å; C249-G253 PolarHBondContact O-N 3.36Å; C249-K254 PolarHBondContact N-O 3.4Å; C249-F256 HydrophobicContact CB-CE2 4.27Å; C249-L262 HydrophobicContact CB-CD1 3.58Å; C249-H269 VanDerWaalsContact SG-CD2 3.53Å; C249-H269 PolarHBondContact SG-NE2 2.91Å | ||
| 250 | N | 73.5 | Confident | 62.8 | Low | 154 Ų | 154 | 87.7 Ų | 87.7 | 82% | 0.824 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -16.3 | -179.7 | -61.8 | -19.7 | 0 | 0 | 0 | 114.3 | I248 | I248-N250 PolarHBondContact O-N 2.78Š|
| 251 | Q | 69.9 | Low | 63.8 | Low | 126 Ų | 126 | 88.1 Ų | 88.1 | 59% | 0.589 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -23.9 | -179.7 | -59.5 | -168.5 | 24.8 | 0 | 0 | 114 | C249 H269 | C249-Q251 PolarHBondContact O-N 2.89Å; Q251-H269 VanDerWaalsContact OE1-CG 3.25Å |
| 252 | C | 72.6 | Confident | 65.2 | Low | 54 Ų | 54 | 81.7 Ų | 81.7 | 37% | 0.365 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | 4.7 | -176.4 | 72.9 | 0 | 0 | 0 | 0 | 114.7 | C249 K254 H265 | C249-C252 PolarHBondContact O-N 3.09Å; C249-C252 VanDerWaalsContact SG-SG 3.64Å; C252-K254 PolarHBondContact O-N 3.09Å; C252-K254 VanDerWaalsContact O-N 3.07Å; C252-K254 VanDerWaalsContact SG-CG 3.56Å; C252-H265 PolarHBondContact SG-NE2 2.8Å |
| 253 | G | 67.1 | Low | 66.3 | Low | 51 Ų | 51 | 85.4 Ų | 85.4 | 53% | 0.526 | 48% | 0.482 | S | S | . | . | trans | 67.8 | 2.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | C249 T255 | C249-G253 WeakPolarHBondContact O-CA 3.34Å; C249-G253 PolarHBondContact O-N 3.36Å; G253-T255 PolarHBondContact O-N 3.37Å | ||
| 254 | K | 65.8 | Low | 67.1 | Low | 122 Ų | 122 | 78.1 Ų | 78.1 | 53% | 0.53 | 45% | 0.451 | S | S | . | . | trans | -67.6 | 131.6 | -178.3 | -72.7 | -179.9 | -176.8 | 178.3 | 0 | 110.9 | I248 C249 C252 F256 | I248-K254 CarbonylContact C-O 3.57Å; I248-K254 WeakPolarHBondContact CA-O 3.43Å; C249-K254 PolarHBondContact N-O 3.4Å; C252-K254 PolarHBondContact O-N 3.09Å; C252-K254 VanDerWaalsContact O-N 3.07Å; C252-K254 VanDerWaalsContact SG-CG 3.56Å; K254-F256 HydrophobicContact CB-CE2 3.63Å; K254-F256 HydrophobicContact CB-CZ 3.82Å; K254-F256 WeakPolarHBondContact O-CD2 3.48Å; K254-F256 VanDerWaalsContact O-CE2 3.32Å; K254-F256 WeakPolarHBondContact O-CE2 3.46Å | ||
| 255 | T | 65.3 | Low | 68.1 | Low | 85 Ų | 85 | 75.3 Ų | 75.3 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 133.6 | -177.8 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | S246 Y247 I248 G253 | S246-T255 VanDerWaalsContact CB-CG2 3.45Å; Y247-T255 CarbonylContact O-C 3.55Å; I248-T255 HydrophobicContact CG1-CG2 4.34Å; G253-T255 PolarHBondContact O-N 3.37Å |
| 256 | F | 72.1 | Confident | 69.1 | Low | 43 Ų | 43 | 74.8 Ų | 74.8 | 19% | 0.189 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 142.2 | -179 | -60.3 | -89.1 | 0 | 0 | 0 | 110.3 | Y247 C249 K254 Q258 N261 L262 H265 | Y247-F256 PolarHBondContact N-O 3.31Å; Y247-F256 WeakPolarHBondContact O-CD2 3.49Å; Y247-F256 PolarHBondContact O-N 3.23Å; C249-F256 HydrophobicContact CB-CE2 4.27Å; K254-F256 HydrophobicContact CB-CE2 3.63Å; K254-F256 HydrophobicContact CB-CZ 3.82Å; K254-F256 WeakPolarHBondContact O-CD2 3.48Å; K254-F256 VanDerWaalsContact O-CE2 3.32Å; K254-F256 WeakPolarHBondContact O-CE2 3.46Å; F256-Q258 VanDerWaalsContact C-N 3.26Å; F256-Q258 PolarHBondContact O-N 3.48Å; F256-N261 HydrophobicContact CB-CB 4.31Å; F256-N261 HydrophobicContact CD1-CB 3.9Å; F256-N261 HydrophobicContact CG-CB 4.41Å; F256-L262 HydrophobicContact CB-CB 4.23Å; F256-L262 HydrophobicContact CD2-CB 3.9Å; F256-L262 HydrophobicContact CD2-CD1 3.67Å; F256-L262 HydrophobicContact CD2-CG 4.38Å; F256-L262 HydrophobicContact CE2-CD1 3.82Å; F256-L262 HydrophobicContact CG-CB 4.18Å; F256-H265 HydrophobicContact CE1-CB 3.87Å; F256-H265 HydrophobicContact CE2-CB 3.93Å; F256-H265 AromaticContact CE2-CD2 3.5Å; F256-H265 AromaticContact CE2-CG 3.66Å; F256-H265 HydrophobicContact CZ-CB 3.41Å; F256-H265 VanDerWaalsContact CZ-CB 3.41Å; F256-H265 AromaticContact CZ-CD2 3.5Å; F256-H265 AromaticContact CZ-CG 3.18Å; F256-H265 AromaticContact CZ-ND1 3.66Å |
| 257 | T | 73 | Confident | 69.9 | Low | 121 Ų | 121 | 75.1 Ų | 75.1 | 74% | 0.742 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -75.3 | -17.3 | 177 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 258 | Q | 72.9 | Confident | 69.6 | Low | 105 Ų | 105 | 74.5 Ų | 74.5 | 49% | 0.491 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -137.8 | 139 | -177.2 | -57.8 | 179.5 | 17.8 | 0 | 0 | 110.9 | F256 C260 N261 L262 | F256-Q258 VanDerWaalsContact C-N 3.26Å; F256-Q258 PolarHBondContact O-N 3.48Å; Q258-C260 VanDerWaalsContact C-N 3.27Å; Q258-C260 PolarHBondContact O-N 3.12Å; Q258-C260 PolarHBondContact OE1-SG 3.06Å; Q258-C260 VanDerWaalsContact OE1-SG 3.37Å; Q258-N261 WeakPolarHBondContact O-CB 3.42Å; Q258-N261 PolarHBondContact O-N 3.43Å; Q258-N261 VanDerWaalsContact O-N 3.12Å; Q258-L262 PolarHBondContact O-N 3.39Å |
| 259 | A | 69.8 | Low | 69.4 | Low | 34 Ų | 34 | 73.7 Ų | 73.7 | 28% | 0.281 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59.5 | -36.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y247 N261 L262 K263 | Y247-A259 HydrophobicContact CD1-CB 3.86Å; Y247-A259 HydrophobicContact CD2-CB 4.28Å; Y247-A259 HydrophobicContact CE1-CB 3.53Å; Y247-A259 HydrophobicContact CE2-CB 4Å; Y247-A259 HydrophobicContact CG-CB 4.21Å; A259-N261 VanDerWaalsContact C-N 3.3Å; A259-N261 PolarHBondContact O-N 3.07Å; A259-L262 PolarHBondContact O-N 3.32Å; A259-K263 WeakPolarHBondContact O-CG 3.16Å; A259-K263 PolarHBondContact O-N 2.76Å |
| 260 | C | 68 | Low | 68.9 | Low | 65 Ų | 65 | 78.8 Ų | 78.8 | 44% | 0.439 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 177.4 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | Q258 K263 V264 | Q258-C260 VanDerWaalsContact C-N 3.27Å; Q258-C260 PolarHBondContact O-N 3.12Å; Q258-C260 PolarHBondContact OE1-SG 3.06Å; Q258-C260 VanDerWaalsContact OE1-SG 3.37Å; C260-K263 PolarHBondContact O-N 2.82Å; C260-V264 WeakPolarHBondContact O-CB 3.46Å; C260-V264 VanDerWaalsContact O-CG2 3.27Å; C260-V264 WeakPolarHBondContact O-CG2 3.28Å; C260-V264 PolarHBondContact O-N 3.19Å |
| 261 | N | 67.8 | Low | 68.3 | Low | 70 Ų | 70 | 74 Ų | 74 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -69.1 | -37.6 | 177.5 | -67 | -24.4 | 0 | 0 | 0 | 111.6 | F256 Q258 A259 V264 H265 | F256-N261 HydrophobicContact CB-CB 4.31Å; F256-N261 HydrophobicContact CD1-CB 3.9Å; F256-N261 HydrophobicContact CG-CB 4.41Å; Q258-N261 WeakPolarHBondContact O-CB 3.42Å; Q258-N261 PolarHBondContact O-N 3.43Å; Q258-N261 VanDerWaalsContact O-N 3.12Å; A259-N261 VanDerWaalsContact C-N 3.3Å; A259-N261 PolarHBondContact O-N 3.07Å; N261-V264 PolarHBondContact O-N 3.34Å; N261-H265 VanDerWaalsContact O-CB 3.26Å; N261-H265 WeakPolarHBondContact O-CB 3.37Å; N261-H265 PolarHBondContact O-N 3.44Å |
| 262 | L | 69.4 | Low | 67.5 | Low | 17 Ų | 17 | 74.5 Ų | 74.5 | 9% | 0.089 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -63.7 | -46 | 172.3 | 175.2 | 62.8 | 0 | 0 | 0 | 111.4 | Y247 C249 F256 Q258 A259 V264 H265 Q266 | Y247-L262 HydrophobicContact CD1-CD2 4.49Å; C249-L262 HydrophobicContact CB-CD1 3.58Å; F256-L262 HydrophobicContact CB-CB 4.23Å; F256-L262 HydrophobicContact CD2-CB 3.9Å; F256-L262 HydrophobicContact CD2-CD1 3.67Å; F256-L262 HydrophobicContact CD2-CG 4.38Å; F256-L262 HydrophobicContact CE2-CD1 3.82Å; F256-L262 HydrophobicContact CG-CB 4.18Å; Q258-L262 PolarHBondContact O-N 3.39Å; A259-L262 PolarHBondContact O-N 3.32Å; L262-V264 VanDerWaalsContact C-N 3.33Å; L262-V264 PolarHBondContact O-N 3.44Å; L262-H265 CarbonylContact O-C 3.51Å; L262-H265 WeakPolarHBondContact O-CA 3.39Å; L262-H265 WeakPolarHBondContact O-CB 3.32Å; L262-H265 PolarHBondContact O-N 2.87Å; L262-H265 VanDerWaalsContact O-N 3.11Å; L262-Q266 HydrophobicContact CD1-CG 4.14Å; L262-Q266 HydrophobicContact CG-CG 4.36Å; L262-Q266 VanDerWaalsContact O-CG 3.32Å; L262-Q266 WeakPolarHBondContact O-CG 3.39Å; L262-Q266 PolarHBondContact O-N 3.49Å |
| 263 | K | 69.4 | Low | 66.7 | Low | 149 Ų | 149 | 74.4 Ų | 74.4 | 65% | 0.648 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -59.5 | -43.7 | 177 | -73.3 | -179.1 | 180 | -175.8 | 0 | 111.9 | A259 C260 H265 Q266 | A259-K263 WeakPolarHBondContact O-CG 3.16Å; A259-K263 PolarHBondContact O-N 2.76Å; C260-K263 PolarHBondContact O-N 2.82Å; K263-H265 VanDerWaalsContact C-N 3.31Å; K263-H265 PolarHBondContact O-N 3.41Å; K263-Q266 PolarHBondContact O-N 3.28Å |
| 264 | V | 65.9 | Low | 66.6 | Low | 46 Ų | 46 | 73.9 Ų | 73.9 | 28% | 0.279 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 174.9 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | C260 N261 L262 R267 P285 | C260-V264 WeakPolarHBondContact O-CB 3.46Å; C260-V264 VanDerWaalsContact O-CG2 3.27Å; C260-V264 WeakPolarHBondContact O-CG2 3.28Å; C260-V264 PolarHBondContact O-N 3.19Å; N261-V264 PolarHBondContact O-N 3.34Å; L262-V264 VanDerWaalsContact C-N 3.33Å; L262-V264 PolarHBondContact O-N 3.44Å; V264-R267 WeakPolarHBondContact O-CB 3.32Å; V264-R267 PolarHBondContact O-N 2.9Å; V264-P285 HydrophobicContact CG1-CB 3.91Å; V264-P285 WeakPolarHBondContact CG1-O 3.33Å |
| 265 | H | 68.9 | Low | 66.5 | Low | 15 Ų | 15 | 71.2 Ų | 71.2 | 7% | 0.069 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.3 | -38.3 | 176.4 | 172.2 | 69.1 | 0 | 0 | 0 | 113 | C252 F256 N261 L262 K263 R267 I268 H269 | C252-H265 PolarHBondContact SG-NE2 2.8Å; F256-H265 HydrophobicContact CE1-CB 3.87Å; F256-H265 HydrophobicContact CE2-CB 3.93Å; F256-H265 AromaticContact CE2-CD2 3.5Å; F256-H265 AromaticContact CE2-CG 3.66Å; F256-H265 HydrophobicContact CZ-CB 3.41Å; F256-H265 VanDerWaalsContact CZ-CB 3.41Å; F256-H265 AromaticContact CZ-CD2 3.5Å; F256-H265 AromaticContact CZ-CG 3.18Å; F256-H265 AromaticContact CZ-ND1 3.66Å; N261-H265 VanDerWaalsContact O-CB 3.26Å; N261-H265 WeakPolarHBondContact O-CB 3.37Å; N261-H265 PolarHBondContact O-N 3.44Å; L262-H265 CarbonylContact O-C 3.51Å; L262-H265 WeakPolarHBondContact O-CA 3.39Å; L262-H265 WeakPolarHBondContact O-CB 3.32Å; L262-H265 PolarHBondContact O-N 2.87Å; L262-H265 VanDerWaalsContact O-N 3.11Å; K263-H265 VanDerWaalsContact C-N 3.31Å; K263-H265 PolarHBondContact O-N 3.41Å; H265-R267 PolarHBondContact O-N 3.48Å; H265-I268 VanDerWaalsContact O-CB 3.26Å; H265-I268 WeakPolarHBondContact O-CB 3.38Å; H265-I268 WeakPolarHBondContact O-CG1 3.48Å; H265-I268 PolarHBondContact O-N 3.42Å; H265-H269 AromaticContact CD2-NE2 3.99Å; H265-H269 AromaticContact CE1-NE2 3.88Å; H265-H269 AromaticContact NE2-CD2 4Å; H265-H269 AromaticContact NE2-NE2 3.2Å; H265-H269 PolarHBondContact NE2-NE2 3.02Å |
| 266 | Q | 68.9 | Low | 66.2 | Low | 71 Ų | 71 | 72.6 Ų | 72.6 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.9 | -26.2 | 178.5 | -75.9 | 169.3 | -27.3 | 0 | 0 | 113 | L262 K263 I268 H269 L270 | L262-Q266 HydrophobicContact CD1-CG 4.14Å; L262-Q266 HydrophobicContact CG-CG 4.36Å; L262-Q266 VanDerWaalsContact O-CG 3.32Å; L262-Q266 WeakPolarHBondContact O-CG 3.39Å; L262-Q266 PolarHBondContact O-N 3.49Å; K263-Q266 PolarHBondContact O-N 3.28Å; Q266-I268 PolarHBondContact O-N 3.48Å; Q266-H269 PolarHBondContact O-N 3.16Å; Q266-H269 VanDerWaalsContact O-N 3.1Å; Q266-L270 PolarHBondContact O-N 3.5Å |
| 267 | R | 69.8 | Low | 65.7 | Low | 75 Ų | 75 | 70.6 Ų | 70.6 | 28% | 0.283 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.5 | -26.7 | 171.9 | -68.7 | -166.4 | -73 | -178.9 | -14.8 | 113.8 | V264 H265 H269 G271 Q272 G273 L274 P285 | V264-R267 WeakPolarHBondContact O-CB 3.32Å; V264-R267 PolarHBondContact O-N 2.9Å; H265-R267 PolarHBondContact O-N 3.48Å; R267-H269 VanDerWaalsContact C-N 3.34Å; R267-G271 PolarHBondContact O-N 2.89Å; R267-G271 VanDerWaalsContact O-N 3.1Å; R267-Q272 VanDerWaalsContact CB-O 3.24Å; R267-Q272 WeakPolarHBondContact CB-O 3.33Å; R267-Q272 WeakPolarHBondContact CG-O 3.38Å; R267-Q272 PolarHBondContact O-N 3.31Å; R267-G273 PolarHBondContact NH1-O 2.85Å; R267-L274 HydrophobicContact CB-CD2 4.27Å; R267-P285 PolarHBondContact NH2-O 3.48Å |
| 268 | I | 64.6 | Low | 64.8 | Low | 79 Ų | 79 | 70.2 Ų | 70.2 | 41% | 0.405 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.5 | -39.2 | 177.5 | -56.7 | 174.6 | 0 | 0 | 0 | 110.5 | H265 Q266 L274 P285 | H265-I268 VanDerWaalsContact O-CB 3.26Å; H265-I268 WeakPolarHBondContact O-CB 3.38Å; H265-I268 WeakPolarHBondContact O-CG1 3.48Å; H265-I268 PolarHBondContact O-N 3.42Å; Q266-I268 PolarHBondContact O-N 3.48Å; I268-L274 HydrophobicContact CG1-CD2 4.26Å; I268-P285 HydrophobicContact CD1-CB 4.05Å; I268-P285 HydrophobicContact CD1-CG 3.94Å; I268-P285 HydrophobicContact CG1-CB 3.86Å; I268-P285 HydrophobicContact CG1-CG 4.21Å |
| 269 | H | 67.2 | Low | 63.8 | Low | 65 Ų | 65 | 72.7 Ų | 72.7 | 30% | 0.301 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -76.6 | -37.1 | -178.7 | -63.4 | -51.4 | 0 | 0 | 0 | 113 | C249 Q251 H265 Q266 R267 G271 | C249-H269 VanDerWaalsContact SG-CD2 3.53Å; C249-H269 PolarHBondContact SG-NE2 2.91Å; Q251-H269 VanDerWaalsContact OE1-CG 3.25Å; H265-H269 AromaticContact CD2-NE2 3.99Å; H265-H269 AromaticContact CE1-NE2 3.88Å; H265-H269 AromaticContact NE2-CD2 4Å; H265-H269 AromaticContact NE2-NE2 3.2Å; H265-H269 PolarHBondContact NE2-NE2 3.02Å; Q266-H269 PolarHBondContact O-N 3.16Å; Q266-H269 VanDerWaalsContact O-N 3.1Å; R267-H269 VanDerWaalsContact C-N 3.34Å; H269-G271 VanDerWaalsContact C-N 3.28Å |
| 270 | L | 65.5 | Low | 63.5 | Low | 107 Ų | 107 | 73.5 Ų | 73.5 | 56% | 0.56 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -81.9 | -9.7 | -179.4 | -63.3 | 171.4 | 0 | 0 | 0 | 112.5 | Q266 Q272 | Q266-L270 PolarHBondContact O-N 3.5Å; L270-Q272 HydrophobicContact CB-CB 4.3Å; L270-Q272 HydrophobicContact CB-CG 4.43Å; L270-Q272 WeakPolarHBondContact O-CG 3.44Å; L270-Q272 PolarHBondContact O-N 3.22Å |
| 271 | G | 59.7 | Low | 62.9 | Low | 54 Ų | 54 | 72.9 Ų | 72.9 | 56% | 0.557 | 41% | 0.409 | S | S | * | . | trans | 62.6 | 2.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | R267 H269 | R267-G271 PolarHBondContact O-N 2.89Å; R267-G271 VanDerWaalsContact O-N 3.1Å; H269-G271 VanDerWaalsContact C-N 3.28Å | ||
| 272 | Q | 53.9 | Low | 62.6 | Low | 137 Ų | 137 | 72.6 Ų | 72.6 | 64% | 0.64 | 40% | 0.404 | S | S | * | . | trans | -93.3 | 131.6 | -173.8 | -73.7 | 178 | -12.3 | 0 | 0 | 111.1 | R267 L270 L274 | R267-Q272 VanDerWaalsContact CB-O 3.24Å; R267-Q272 WeakPolarHBondContact CB-O 3.33Å; R267-Q272 WeakPolarHBondContact CG-O 3.38Å; R267-Q272 PolarHBondContact O-N 3.31Å; L270-Q272 HydrophobicContact CB-CB 4.3Å; L270-Q272 HydrophobicContact CB-CG 4.43Å; L270-Q272 WeakPolarHBondContact O-CG 3.44Å; L270-Q272 PolarHBondContact O-N 3.22Å; Q272-L274 PolarHBondContact O-N 3.09Å | ||
| 273 | G | 55.7 | Low | 62.1 | Low | 51 Ų | 51 | 73.3 Ų | 73.3 | 53% | 0.526 | 42% | 0.416 | S | S | . | . | S | Bend | trans | 69.7 | 28.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R267 | R267-G273 PolarHBondContact NH1-O 2.85Š|
| 274 | L | 64.4 | Low | 61.9 | Low | 40 Ų | 40 | 68 Ų | 68 | 21% | 0.209 | 39% | 0.393 | C | S | . | . | trans | -77.7 | 137.4 | 166.4 | -61.9 | 179.2 | 0 | 0 | 0 | 109.7 | R267 I268 Q272 L276 F284 P285 | R267-L274 HydrophobicContact CB-CD2 4.27Å; I268-L274 HydrophobicContact CG1-CD2 4.26Å; Q272-L274 PolarHBondContact O-N 3.09Å; L274-L276 PolarHBondContact O-N 3.47Å; L274-L276 VanDerWaalsContact O-N 3.16Å; L274-F284 CarbonylContact C-O 3.27Å; L274-F284 WeakPolarHBondContact CA-O 3.41Å; L274-P285 HydrophobicContact CD2-CB 4.22Å | ||
| 275 | H | 64.5 | Low | 61.8 | Low | 67 Ų | 67 | 67 Ų | 67 | 31% | 0.31 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 105.1 | 170 | -63.4 | -83.4 | 0 | 0 | 0 | 108.4 | F284 S286 F287 L290 | H275-F284 PolarHBondContact N-O 3.48Å; H275-F284 PolarHBondContact O-N 3.27Å; H275-S286 VanDerWaalsContact CD2-C 3.44Å; H275-F287 PolarHBondContact CD2-N 3.45Å; H275-F287 VanDerWaalsContact CD2-N 3.28Å; H275-L290 HydrophobicContact CB-CB 3.97Å; H275-L290 HydrophobicContact CB-CD2 3.6Å; H275-L290 HydrophobicContact CB-CG 4.35Å |
| 276 | L | 58.8 | Low | 61.7 | Low | 113 Ų | 113 | 67.8 Ų | 67.8 | 59% | 0.592 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 139.5 | -177.9 | -61.3 | 172.6 | 0 | 0 | 0 | 111 | L274 S278 L290 | L274-L276 PolarHBondContact O-N 3.47Å; L274-L276 VanDerWaalsContact O-N 3.16Å; L276-S278 PolarHBondContact O-N 2.9Å; L276-L290 WeakPolarHBondContact O-CD2 3.42Å |
| 277 | C | 60.8 | Low | 61.6 | Low | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.014 | 41% | 0.405 | C | S | . | . | trans | -77.9 | 117.7 | 165.7 | -178.1 | 0 | 0 | 0 | 0 | 109.9 | H279 C280 G281 K282 F284 L290 Q297 | C277-H279 PolarHBondContact O-N 3.43Å; C277-H279 VanDerWaalsContact O-N 3.15Å; C277-C280 PolarHBondContact O-N 3.27Å; C277-G281 VanDerWaalsContact O-CA 3.32Å; C277-G281 WeakPolarHBondContact O-CA 3.46Å; C277-G281 PolarHBondContact O-N 3.46Å; C277-K282 PolarHBondContact N-O 2.87Å; C277-F284 HydrophobicContact CB-CE2 4.4Å; C277-L290 HydrophobicContact CB-CD1 3.71Å; C277-Q297 PolarHBondContact SG-OE1 2.81Å | ||
| 278 | S | 55.8 | Low | 61.4 | Low | 113 Ų | 113 | 69.9 Ų | 69.9 | 79% | 0.79 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -24.8 | 177.6 | 49 | 0 | 0 | 0 | 0 | 113.8 | L276 | L276-S278 PolarHBondContact O-N 2.9Š|
| 279 | H | 52 | Low | 61.5 | Low | 157 Ų | 157 | 70 Ų | 70 | 73% | 0.727 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -27.7 | -176.7 | -169.1 | 62 | 0 | 0 | 0 | 114.3 | C277 | C277-H279 PolarHBondContact O-N 3.43Å; C277-H279 VanDerWaalsContact O-N 3.15Å |
| 280 | C | 62 | Low | 61.5 | Low | 50 Ų | 50 | 67.2 Ų | 67.2 | 34% | 0.338 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.6 | 3.9 | -177 | 73.6 | 0 | 0 | 0 | 0 | 115.1 | C277 K282 H293 Q297 | C277-C280 PolarHBondContact O-N 3.27Å; C280-K282 PolarHBondContact O-N 3.22Å; C280-H293 PolarHBondContact SG-NE2 3.24Å; C280-Q297 PolarHBondContact SG-NE2 2.96Å |
| 281 | G | 56.2 | Low | 61.6 | Low | 53 Ų | 53 | 69.1 Ų | 69.1 | 55% | 0.546 | 41% | 0.409 | S | S | . | . | trans | 69 | -3.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | C277 G283 | C277-G281 VanDerWaalsContact O-CA 3.32Å; C277-G281 WeakPolarHBondContact O-CA 3.46Å; C277-G281 PolarHBondContact O-N 3.46Å; G281-G283 PolarHBondContact O-N 3.39Å | ||
| 282 | K | 61.8 | Low | 61.8 | Low | 63 Ų | 63 | 68.6 Ų | 68.6 | 27% | 0.274 | 40% | 0.395 | S | S | . | . | trans | -68.1 | 129.9 | -178.8 | -69 | -177.4 | -178.1 | -179.4 | 0 | 111.4 | C277 C280 F284 | C277-K282 PolarHBondContact N-O 2.87Å; C280-K282 PolarHBondContact O-N 3.22Å; K282-F284 HydrophobicContact CB-CE2 3.84Å; K282-F284 HydrophobicContact CB-CZ 4.09Å; K282-F284 WeakPolarHBondContact O-CD2 3.31Å; K282-F284 WeakPolarHBondContact O-CE2 3.46Å | ||
| 283 | G | 58.2 | Low | 62.5 | Low | 32 Ų | 32 | 63.4 Ų | 63.4 | 33% | 0.33 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 133 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | G281 | G281-G283 PolarHBondContact O-N 3.39Å |
| 284 | F | 65.9 | Low | 62.9 | Low | 37 Ų | 37 | 64.8 Ų | 64.8 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 138.3 | 178.6 | -63.2 | -88.6 | 0 | 0 | 0 | 111.3 | L274 H275 C277 K282 S286 N289 L290 H293 | L274-F284 CarbonylContact C-O 3.27Å; L274-F284 WeakPolarHBondContact CA-O 3.41Å; H275-F284 PolarHBondContact N-O 3.48Å; H275-F284 PolarHBondContact O-N 3.27Å; C277-F284 HydrophobicContact CB-CE2 4.4Å; K282-F284 HydrophobicContact CB-CE2 3.84Å; K282-F284 HydrophobicContact CB-CZ 4.09Å; K282-F284 WeakPolarHBondContact O-CD2 3.31Å; K282-F284 WeakPolarHBondContact O-CE2 3.46Å; F284-S286 PolarHBondContact O-N 2.9Å; F284-N289 HydrophobicContact CB-CB 4.15Å; F284-N289 HydrophobicContact CD1-CB 4.05Å; F284-N289 HydrophobicContact CG-CB 4.43Å; F284-L290 HydrophobicContact CB-CB 4.12Å; F284-L290 HydrophobicContact CD2-CB 4.1Å; F284-L290 HydrophobicContact CD2-CD1 3.65Å; F284-L290 HydrophobicContact CD2-CG 4.49Å; F284-L290 HydrophobicContact CE2-CD1 4.02Å; F284-L290 HydrophobicContact CG-CB 4.29Å; F284-H293 HydrophobicContact CE1-CB 3.92Å; F284-H293 HydrophobicContact CE2-CB 3.83Å; F284-H293 AromaticContact CE2-CD2 3.33Å; F284-H293 WeakPolarHBondContact CE2-CD2 3.37Å; F284-H293 AromaticContact CE2-CG 3.46Å; F284-H293 VanDerWaalsContact CE2-CG 3.46Å; F284-H293 AromaticContact CE2-NE2 3.84Å; F284-H293 HydrophobicContact CZ-CB 3.49Å; F284-H293 VanDerWaalsContact CZ-CB 3.49Å; F284-H293 AromaticContact CZ-CD2 3.55Å; F284-H293 AromaticContact CZ-CE1 3.87Å; F284-H293 AromaticContact CZ-CG 3.17Å; F284-H293 AromaticContact CZ-ND1 3.42Å; F284-H293 WeakPolarHBondContact CZ-ND1 3.42Å; F284-H293 AromaticContact CZ-NE2 3.94Å |
| 285 | P | 62.6 | Low | 62.8 | Low | 27 Ų | 27 | 63.8 Ų | 63.8 | 18% | 0.175 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -70.4 | -12.2 | -179 | 30.1 | -37.4 | 0 | 0 | 0 | 113.2 | V264 R267 I268 L274 | V264-P285 HydrophobicContact CG1-CB 3.91Å; V264-P285 WeakPolarHBondContact CG1-O 3.33Å; R267-P285 PolarHBondContact NH2-O 3.48Å; I268-P285 HydrophobicContact CD1-CB 4.05Å; I268-P285 HydrophobicContact CD1-CG 3.94Å; I268-P285 HydrophobicContact CG1-CB 3.86Å; I268-P285 HydrophobicContact CG1-CG 4.21Å; L274-P285 HydrophobicContact CD2-CB 4.22Å |
| 286 | S | 67.1 | Low | 62.6 | Low | 31 Ų | 31 | 63 Ų | 63 | 22% | 0.217 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -140.8 | 150.8 | 177.7 | 75.7 | 0 | 0 | 0 | 0 | 111.4 | H275 F284 A288 N289 L290 | H275-S286 VanDerWaalsContact CD2-C 3.44Å; F284-S286 PolarHBondContact O-N 2.9Å; S286-A288 VanDerWaalsContact C-N 3.33Å; S286-A288 PolarHBondContact O-N 3.41Å; S286-N289 PolarHBondContact O-N 2.69Å; S286-N289 VanDerWaalsContact OG-CB 3.3Å; S286-N289 WeakPolarHBondContact OG-CB 3.1Å; S286-N289 PolarHBondContact OG-N 3.22Å; S286-N289 VanDerWaalsContact OG-N 3.16Å; S286-N289 PolarHBondContact OG-OD1 3.36Å; S286-L290 PolarHBondContact O-N 2.91Å; S286-L290 VanDerWaalsContact O-N 3.1Å |
| 287 | F | 67.1 | Low | 62.6 | Low | 126 Ų | 126 | 61.2 Ų | 61.2 | 55% | 0.553 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.3 | -36.8 | 176.2 | -174.2 | -98.9 | 0 | 0 | 0 | 112.2 | H275 N289 L290 K291 | H275-F287 PolarHBondContact CD2-N 3.45Å; H275-F287 VanDerWaalsContact CD2-N 3.28Å; F287-N289 VanDerWaalsContact C-N 3.31Å; F287-N289 PolarHBondContact O-N 2.93Å; F287-L290 PolarHBondContact O-N 3.22Å; F287-K291 WeakPolarHBondContact O-CB 3.46Å; F287-K291 PolarHBondContact O-N 3.03Å |
| 288 | A | 66.3 | Low | 62.5 | Low | 63 Ų | 63 | 66.2 Ų | 66.2 | 52% | 0.521 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.2 | -43.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | S286 K291 T292 | S286-A288 VanDerWaalsContact C-N 3.33Å; S286-A288 PolarHBondContact O-N 3.41Å; A288-K291 PolarHBondContact O-N 2.68Å; A288-T292 WeakPolarHBondContact O-CG2 3.32Å; A288-T292 PolarHBondContact O-N 3.39Å |
| 289 | N | 66.6 | Low | 62.8 | Low | 82 Ų | 82 | 63.2 Ų | 63.2 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 176.8 | -72 | 47.6 | 0 | 0 | 0 | 111.1 | F284 S286 F287 T292 H293 | F284-N289 HydrophobicContact CB-CB 4.15Å; F284-N289 HydrophobicContact CD1-CB 4.05Å; F284-N289 HydrophobicContact CG-CB 4.43Å; S286-N289 PolarHBondContact O-N 2.69Å; S286-N289 VanDerWaalsContact OG-CB 3.3Å; S286-N289 WeakPolarHBondContact OG-CB 3.1Å; S286-N289 PolarHBondContact OG-N 3.22Å; S286-N289 VanDerWaalsContact OG-N 3.16Å; S286-N289 PolarHBondContact OG-OD1 3.36Å; F287-N289 VanDerWaalsContact C-N 3.31Å; F287-N289 PolarHBondContact O-N 2.93Å; N289-T292 PolarHBondContact O-N 3.39Å; N289-T292 PolarHBondContact O-OG1 3.32Å; N289-H293 WeakPolarHBondContact O-CB 3.41Å; N289-H293 PolarHBondContact O-N 3.03Å |
| 290 | L | 65.9 | Low | 63.4 | Low | 7 Ų | 7 | 60.5 Ų | 60.5 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 173.5 | 176.9 | 64 | 0 | 0 | 0 | 111.9 | H275 L276 C277 F284 S286 F287 T292 H293 K294 | H275-L290 HydrophobicContact CB-CB 3.97Å; H275-L290 HydrophobicContact CB-CD2 3.6Å; H275-L290 HydrophobicContact CB-CG 4.35Å; L276-L290 WeakPolarHBondContact O-CD2 3.42Å; C277-L290 HydrophobicContact CB-CD1 3.71Å; F284-L290 HydrophobicContact CB-CB 4.12Å; F284-L290 HydrophobicContact CD2-CB 4.1Å; F284-L290 HydrophobicContact CD2-CD1 3.65Å; F284-L290 HydrophobicContact CD2-CG 4.49Å; F284-L290 HydrophobicContact CE2-CD1 4.02Å; F284-L290 HydrophobicContact CG-CB 4.29Å; S286-L290 PolarHBondContact O-N 2.91Å; S286-L290 VanDerWaalsContact O-N 3.1Å; F287-L290 PolarHBondContact O-N 3.22Å; L290-T292 PolarHBondContact O-N 3.21Å; L290-H293 WeakPolarHBondContact O-CB 3.44Å; L290-H293 PolarHBondContact O-N 3.2Å; L290-H293 VanDerWaalsContact O-N 3.13Å; L290-K294 HydrophobicContact CD1-CD 4.37Å; L290-K294 HydrophobicContact CD1-CG 4.06Å; L290-K294 HydrophobicContact CG-CD 4.25Å; L290-K294 HydrophobicContact CG-CG 4.32Å; L290-K294 PolarHBondContact O-N 3.21Å |
| 291 | K | 68.8 | Low | 63.9 | Low | 146 Ų | 146 | 62.9 Ų | 62.9 | 64% | 0.635 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.8 | -46.1 | 178.2 | -172.7 | 173.5 | -177.5 | 174.1 | 0 | 110.7 | F287 A288 H293 K294 C295 | F287-K291 WeakPolarHBondContact O-CB 3.46Å; F287-K291 PolarHBondContact O-N 3.03Å; A288-K291 PolarHBondContact O-N 2.68Å; K291-H293 VanDerWaalsContact C-N 3.28Å; K291-H293 PolarHBondContact O-N 3.42Å; K291-K294 PolarHBondContact O-N 2.97Å; K291-C295 WeakPolarHBondContact O-CB 3.38Å; K291-C295 PolarHBondContact O-N 3.09Å |
| 292 | T | 64.3 | Low | 64.7 | Low | 43 Ų | 43 | 64 Ų | 64 | 26% | 0.264 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.7 | -33.3 | 175.7 | 68.5 | 0 | 0 | 0 | 0 | 113 | A288 N289 L290 G296 R314 | A288-T292 WeakPolarHBondContact O-CG2 3.32Å; A288-T292 PolarHBondContact O-N 3.39Å; N289-T292 PolarHBondContact O-N 3.39Å; N289-T292 PolarHBondContact O-OG1 3.32Å; L290-T292 PolarHBondContact O-N 3.21Å; T292-G296 PolarHBondContact O-N 3.08Å; T292-R314 HydrophobicContact CG2-CG 4.28Å; T292-R314 PolarHBondContact OG1-NH2 3.25Å |
| 293 | H | 68.7 | Low | 65.4 | Low | 29 Ų | 29 | 65.3 Ų | 65.3 | 13% | 0.134 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.4 | -48.7 | 176.8 | 169.7 | 75.2 | 0 | 0 | 0 | 111.5 | C280 F284 N289 L290 K291 C295 G296 Q297 | C280-H293 PolarHBondContact SG-NE2 3.24Å; F284-H293 HydrophobicContact CE1-CB 3.92Å; F284-H293 HydrophobicContact CE2-CB 3.83Å; F284-H293 AromaticContact CE2-CD2 3.33Å; F284-H293 WeakPolarHBondContact CE2-CD2 3.37Å; F284-H293 AromaticContact CE2-CG 3.46Å; F284-H293 VanDerWaalsContact CE2-CG 3.46Å; F284-H293 AromaticContact CE2-NE2 3.84Å; F284-H293 HydrophobicContact CZ-CB 3.49Å; F284-H293 VanDerWaalsContact CZ-CB 3.49Å; F284-H293 AromaticContact CZ-CD2 3.55Å; F284-H293 AromaticContact CZ-CE1 3.87Å; F284-H293 AromaticContact CZ-CG 3.17Å; F284-H293 AromaticContact CZ-ND1 3.42Å; F284-H293 WeakPolarHBondContact CZ-ND1 3.42Å; F284-H293 AromaticContact CZ-NE2 3.94Å; N289-H293 WeakPolarHBondContact O-CB 3.41Å; N289-H293 PolarHBondContact O-N 3.03Å; L290-H293 WeakPolarHBondContact O-CB 3.44Å; L290-H293 PolarHBondContact O-N 3.2Å; L290-H293 VanDerWaalsContact O-N 3.13Å; K291-H293 VanDerWaalsContact C-N 3.28Å; K291-H293 PolarHBondContact O-N 3.42Å; H293-C295 VanDerWaalsContact C-N 3.31Å; H293-C295 PolarHBondContact O-N 3.26Å; H293-G296 PolarHBondContact O-N 3.27Å; H293-G296 VanDerWaalsContact O-N 3.12Å; H293-Q297 PolarHBondContact NE2-NE2 3.47Å; H293-Q297 PolarHBondContact NE2-OE1 2.95Å; H293-Q297 PolarHBondContact O-N 3.12Å |
| 294 | K | 63.5 | Low | 65.6 | Low | 79 Ų | 79 | 66.9 Ų | 66.9 | 34% | 0.343 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 174.6 | -75.3 | -174.4 | 173.6 | -174.3 | 0 | 111.6 | L290 K291 G296 Q297 T298 | L290-K294 HydrophobicContact CD1-CD 4.37Å; L290-K294 HydrophobicContact CD1-CG 4.06Å; L290-K294 HydrophobicContact CG-CD 4.25Å; L290-K294 HydrophobicContact CG-CG 4.32Å; L290-K294 PolarHBondContact O-N 3.21Å; K291-K294 PolarHBondContact O-N 2.97Å; K294-G296 PolarHBondContact O-N 3.15Å; K294-Q297 WeakPolarHBondContact O-CB 3.4Å; K294-Q297 PolarHBondContact O-N 3.25Å; K294-T298 PolarHBondContact O-N 2.92Å; K294-T298 PolarHBondContact O-OG1 3.37Å; K294-T298 VanDerWaalsContact O-OG1 3.1Å |
| 295 | C | 63.1 | Low | 65.9 | Low | 19 Ų | 19 | 65.1 Ų | 65.1 | 13% | 0.128 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.3 | -36.9 | 176.5 | -160.9 | 0 | 0 | 0 | 0 | 112.3 | K291 H293 Q297 G299 N300 P302 | K291-C295 WeakPolarHBondContact O-CB 3.38Å; K291-C295 PolarHBondContact O-N 3.09Å; H293-C295 VanDerWaalsContact C-N 3.31Å; H293-C295 PolarHBondContact O-N 3.26Å; C295-Q297 VanDerWaalsContact C-N 3.33Å; C295-G299 PolarHBondContact O-N 3.42Å; C295-N300 PolarHBondContact O-N 3.45Å; C295-N300 PolarHBondContact SG-O 3.34Å; C295-P302 WeakPolarHBondContact SG-CD 3.44Å |
| 296 | G | 59.8 | Low | 66.1 | Low | 51 Ų | 51 | 68.8 Ų | 68.8 | 53% | 0.526 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70.8 | -25.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T292 H293 K294 | T292-G296 PolarHBondContact O-N 3.08Å; H293-G296 PolarHBondContact O-N 3.27Å; H293-G296 VanDerWaalsContact O-N 3.12Å; K294-G296 PolarHBondContact O-N 3.15Å |
| 297 | Q | 57.3 | Low | 66.2 | Low | 75 Ų | 75 | 72.4 Ų | 72.4 | 35% | 0.35 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -86.1 | -39.2 | 179.8 | -68.8 | -179 | -49.9 | 0 | 0 | 112.9 | C277 C280 H293 K294 C295 G299 | C277-Q297 PolarHBondContact SG-OE1 2.81Å; C280-Q297 PolarHBondContact SG-NE2 2.96Å; H293-Q297 PolarHBondContact NE2-NE2 3.47Å; H293-Q297 PolarHBondContact NE2-OE1 2.95Å; H293-Q297 PolarHBondContact O-N 3.12Å; K294-Q297 WeakPolarHBondContact O-CB 3.4Å; K294-Q297 PolarHBondContact O-N 3.25Å; C295-Q297 VanDerWaalsContact C-N 3.33Å; Q297-G299 PolarHBondContact O-N 3.22Å |
| 298 | T | 59.6 | Low | 66.3 | Low | 108 Ų | 108 | 69 Ų | 69 | 66% | 0.663 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -81.1 | -2.3 | 179.4 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | K294 N300 | K294-T298 PolarHBondContact O-N 2.92Å; K294-T298 PolarHBondContact O-OG1 3.37Å; K294-T298 VanDerWaalsContact O-OG1 3.1Å; T298-N300 PolarHBondContact O-N 2.93Å; T298-N300 VanDerWaalsContact O-N 3.08Å |
| 299 | G | 62.1 | Low | 66.1 | Low | 50 Ų | 50 | 68.1 Ų | 68.1 | 52% | 0.515 | 41% | 0.411 | S | S | . | . | trans | 67.5 | 3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | C295 Q297 K301 | C295-G299 PolarHBondContact O-N 3.42Å; Q297-G299 PolarHBondContact O-N 3.22Å; G299-K301 PolarHBondContact O-N 3.49Å | ||
| 300 | N | 65.3 | Low | 66.2 | Low | 99 Ų | 99 | 68.2 Ų | 68.2 | 53% | 0.529 | 41% | 0.411 | S | S | . | . | trans | -63.2 | 123.8 | 174.9 | -166.2 | -16.7 | 0 | 0 | 0 | 108.1 | C295 T298 | C295-N300 PolarHBondContact O-N 3.45Å; C295-N300 PolarHBondContact SG-O 3.34Å; T298-N300 PolarHBondContact O-N 2.93Å; T298-N300 VanDerWaalsContact O-N 3.08Å | ||
| 301 | K | 71.8 | Confident | 66.7 | Low | 100 Ų | 100 | 74 Ų | 74 | 44% | 0.435 | 44% | 0.436 | S | S | . | . | trans | -127.5 | 80.7 | -177.9 | -75 | 167 | 159.6 | -157.7 | 0 | 107.1 | G299 Y303 K311 F312 | G299-K301 PolarHBondContact O-N 3.49Å; K301-Y303 PolarHBondContact O-N 3.23Å; K301-K311 HydrophobicContact CB-CB 3.48Å; K301-K311 VanDerWaalsContact CB-CB 3.48Å; K301-K311 HydrophobicContact CD-CB 3.93Å; K301-K311 VanDerWaalsContact CD-O 3.26Å; K301-K311 WeakPolarHBondContact CD-O 3.48Å; K301-K311 WeakPolarHBondContact CE-O 3.31Å; K301-K311 HydrophobicContact CG-CB 4.33Å; K301-K311 PolarHBondContact NZ-O 3.44Å; K301-F312 CarbonylContact C-O 3.38Å; K301-F312 VanDerWaalsContact C-O 3.27Å; K301-F312 VanDerWaalsContact CA-O 3.3Å; K301-F312 WeakPolarHBondContact CA-O 3.21Å | ||
| 302 | P | 73.1 | Confident | 67.2 | Low | 77 Ų | 77 | 69 Ų | 69 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | trans | -70.9 | -13.3 | -169.5 | 27.1 | -34.2 | 0 | 0 | 0 | 113 | C295 | C295-P302 WeakPolarHBondContact SG-CD 3.44Š| ||
| 303 | Y | 75.9 | Confident | 67.8 | Low | 90 Ų | 90 | 68.3 Ų | 68.3 | 35% | 0.353 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.4 | -177.7 | -55.4 | -72.9 | 0 | 0 | 0 | 110 | K301 K311 F312 L315 | K301-Y303 PolarHBondContact O-N 3.23Å; Y303-K311 CarbonylContact O-C 3.57Å; Y303-K311 WeakPolarHBondContact O-CA 3.35Å; Y303-F312 WeakPolarHBondContact CB-O 3.48Å; Y303-F312 PolarHBondContact N-O 2.75Å; Y303-F312 VanDerWaalsContact N-O 3.16Å; Y303-F312 PolarHBondContact O-N 2.94Å; Y303-L315 HydrophobicContact CD1-CB 4.06Å; Y303-L315 HydrophobicContact CD1-CD1 3.78Å; Y303-L315 VanDerWaalsContact CD2-N 3.35Å; Y303-L315 HydrophobicContact CE1-CB 3.82Å; Y303-L315 HydrophobicContact CE1-CD1 4.04Å; Y303-L315 HydrophobicContact CE1-CG 4.42Å; Y303-L315 HydrophobicContact CE2-CB 4.31Å; Y303-L315 HydrophobicContact CG-CB 4.4Å |
| 304 | C | 64 | Low | 68.3 | Low | 65 Ų | 65 | 71.4 Ų | 71.4 | 44% | 0.439 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 140.1 | -179.9 | -167.1 | 0 | 0 | 0 | 0 | 111 | G309 N310 K311 L318 | C304-G309 PolarHBondContact SG-O 3.11Å; C304-G309 VanDerWaalsContact SG-O 3.39Å; C304-N310 CarbonylContact C-O 3.53Å; C304-N310 WeakPolarHBondContact CA-O 3.34Å; C304-K311 HydrophobicContact CB-CG 4.5Å; C304-L318 WeakPolarHBondContact O-CD2 3.49Å |
| 305 | C | 72 | Confident | 69 | Low | 1 Ų | 1 | 71.5 Ų | 71.5 | 1% | 0.007 | 43% | 0.426 | C | S | . | . | trans | -76.9 | 120.3 | 167.6 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | V307 C308 G309 N310 F312 L318 H325 | C305-V307 PolarHBondContact O-N 3.04Å; C305-C308 VanDerWaalsContact SG-SG 3.68Å; C305-G309 WeakPolarHBondContact O-CA 3.31Å; C305-G309 PolarHBondContact O-N 3.5Å; C305-N310 HydrophobicContact CB-CB 4.39Å; C305-N310 PolarHBondContact N-O 3.35Å; C305-F312 HydrophobicContact CB-CE2 4.31Å; C305-L318 HydrophobicContact CB-CD1 3.7Å; C305-H325 PolarHBondContact SG-NE2 3.38Å; C305-H325 VanDerWaalsContact SG-NE2 3.4Å | ||
| 306 | A | 65.7 | Low | 70 | Confident | 104 Ų | 104 | 77.1 Ų | 77.1 | 86% | 0.86 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -25.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 307 | V | 69.6 | Low | 71.2 | Confident | 106 Ų | 106 | 76.6 Ų | 76.6 | 64% | 0.642 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -43.6 | -175.7 | -176.4 | 0 | 0 | 0 | 0 | 112.2 | C305 H325 | C305-V307 PolarHBondContact O-N 3.04Å; V307-H325 HydrophobicContact CG1-CB 4.44Å |
| 308 | C | 69.2 | Low | 72.4 | Confident | 55 Ų | 55 | 73.6 Ų | 73.6 | 37% | 0.372 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.8 | 5.4 | -174 | 67.4 | 0 | 0 | 0 | 0 | 114.6 | C305 N310 H321 H325 | C305-C308 VanDerWaalsContact SG-SG 3.68Å; C308-N310 PolarHBondContact O-N 3.13Å; C308-N310 VanDerWaalsContact O-N 3.1Å; C308-N310 PolarHBondContact SG-ND2 3.32Å; C308-N310 VanDerWaalsContact SG-ND2 3.38Å; C308-H321 PolarHBondContact SG-NE2 3.37Å; C308-H325 PolarHBondContact SG-NE2 3.39Å; C308-H325 VanDerWaalsContact SG-NE2 3.38Å |
| 309 | G | 62.5 | Low | 73.7 | Confident | 44 Ų | 44 | 74.4 Ų | 74.4 | 45% | 0.454 | 41% | 0.41 | S | S | . | . | trans | 71.6 | 1.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.4 | C304 C305 K311 | C304-G309 PolarHBondContact SG-O 3.11Å; C304-G309 VanDerWaalsContact SG-O 3.39Å; C305-G309 WeakPolarHBondContact O-CA 3.31Å; C305-G309 PolarHBondContact O-N 3.5Å; G309-K311 PolarHBondContact O-N 3.29Å | ||
| 310 | N | 69.1 | Low | 74.9 | Confident | 85 Ų | 85 | 73.6 Ų | 73.6 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | trans | -64.4 | 131.9 | -179.3 | -83.9 | -31.4 | 0 | 0 | 0 | 111.9 | C304 C305 C308 F312 | C304-N310 CarbonylContact C-O 3.53Å; C304-N310 WeakPolarHBondContact CA-O 3.34Å; C305-N310 HydrophobicContact CB-CB 4.39Å; C305-N310 PolarHBondContact N-O 3.35Å; C308-N310 PolarHBondContact O-N 3.13Å; C308-N310 VanDerWaalsContact O-N 3.1Å; C308-N310 PolarHBondContact SG-ND2 3.32Å; C308-N310 VanDerWaalsContact SG-ND2 3.38Å; N310-F312 HydrophobicContact CB-CE2 3.75Å; N310-F312 HydrophobicContact CB-CZ 3.82Å; N310-F312 WeakPolarHBondContact O-CD2 3.31Å; N310-F312 VanDerWaalsContact O-CE2 3.23Å; N310-F312 WeakPolarHBondContact O-CE2 3.48Å | ||
| 311 | K | 75.4 | Confident | 75.9 | Confident | 129 Ų | 129 | 70 Ų | 70 | 56% | 0.561 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 138.1 | -177.3 | -54.5 | -174.9 | -177.9 | 178.5 | 0 | 112 | K301 Y303 C304 G309 | K301-K311 HydrophobicContact CB-CB 3.48Å; K301-K311 VanDerWaalsContact CB-CB 3.48Å; K301-K311 HydrophobicContact CD-CB 3.93Å; K301-K311 VanDerWaalsContact CD-O 3.26Å; K301-K311 WeakPolarHBondContact CD-O 3.48Å; K301-K311 WeakPolarHBondContact CE-O 3.31Å; K301-K311 HydrophobicContact CG-CB 4.33Å; K301-K311 PolarHBondContact NZ-O 3.44Å; Y303-K311 CarbonylContact O-C 3.57Å; Y303-K311 WeakPolarHBondContact O-CA 3.35Å; C304-K311 HydrophobicContact CB-CG 4.5Å; G309-K311 PolarHBondContact O-N 3.29Å |
| 312 | F | 78.7 | Confident | 76.5 | Confident | 39 Ų | 39 | 69 Ų | 69 | 17% | 0.171 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.5 | -177.3 | -57.1 | -85 | 0 | 0 | 0 | 111.4 | K301 Y303 C305 N310 R314 N317 L318 H321 | K301-F312 CarbonylContact C-O 3.38Å; K301-F312 VanDerWaalsContact C-O 3.27Å; K301-F312 VanDerWaalsContact CA-O 3.3Å; K301-F312 WeakPolarHBondContact CA-O 3.21Å; Y303-F312 WeakPolarHBondContact CB-O 3.48Å; Y303-F312 PolarHBondContact N-O 2.75Å; Y303-F312 VanDerWaalsContact N-O 3.16Å; Y303-F312 PolarHBondContact O-N 2.94Å; C305-F312 HydrophobicContact CB-CE2 4.31Å; N310-F312 HydrophobicContact CB-CE2 3.75Å; N310-F312 HydrophobicContact CB-CZ 3.82Å; N310-F312 WeakPolarHBondContact O-CD2 3.31Å; N310-F312 VanDerWaalsContact O-CE2 3.23Å; N310-F312 WeakPolarHBondContact O-CE2 3.48Å; F312-R314 VanDerWaalsContact C-N 3.32Å; F312-N317 HydrophobicContact CB-CB 4.03Å; F312-N317 HydrophobicContact CD1-CB 3.8Å; F312-N317 HydrophobicContact CG-CB 4.17Å; F312-L318 HydrophobicContact CB-CB 4.27Å; F312-L318 HydrophobicContact CD2-CB 3.83Å; F312-L318 HydrophobicContact CD2-CD1 3.73Å; F312-L318 HydrophobicContact CD2-CG 4.38Å; F312-L318 HydrophobicContact CE2-CD1 3.87Å; F312-L318 HydrophobicContact CG-CB 4.2Å; F312-H321 HydrophobicContact CE1-CB 3.83Å; F312-H321 HydrophobicContact CE2-CB 3.88Å; F312-H321 AromaticContact CE2-CD2 3.51Å; F312-H321 AromaticContact CE2-CG 3.66Å; F312-H321 HydrophobicContact CZ-CB 3.37Å; F312-H321 AromaticContact CZ-CD2 3.47Å; F312-H321 VanDerWaalsContact CZ-CD2 3.47Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.43Å; F312-H321 AromaticContact CZ-CG 3.15Å; F312-H321 AromaticContact CZ-ND1 3.62Å |
| 313 | S | 77.8 | Confident | 77.2 | Confident | 29 Ų | 29 | 69.2 Ų | 69.2 | 20% | 0.203 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -81.1 | -11.8 | 177.3 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 314 | R | 78.6 | Confident | 77.7 | Confident | 94 Ų | 94 | 67.9 Ų | 67.9 | 36% | 0.355 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -139.3 | 141.2 | -178.1 | -60 | -178.2 | 176.2 | 175.6 | -10.9 | 110.6 | T292 F312 W316 N317 L318 | T292-R314 HydrophobicContact CG2-CG 4.28Å; T292-R314 PolarHBondContact OG1-NH2 3.25Å; F312-R314 VanDerWaalsContact C-N 3.32Å; R314-W316 VanDerWaalsContact C-N 3.31Å; R314-W316 HydrophobicContact CB-CG 4.43Å; R314-W316 PolarHBondContact O-N 3.33Å; R314-N317 HydrophobicContact CB-CB 4.46Å; R314-N317 WeakPolarHBondContact O-CB 3.49Å; R314-N317 PolarHBondContact O-N 3Å; R314-N317 VanDerWaalsContact O-N 3.16Å; R314-L318 PolarHBondContact O-N 3.42Å |
| 315 | L | 79.6 | Confident | 78.6 | Confident | 82 Ų | 82 | 68.3 Ų | 68.3 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | 179 | -177 | 63 | 0 | 0 | 0 | 112.5 | Y303 N317 L318 K319 | Y303-L315 HydrophobicContact CD1-CB 4.06Å; Y303-L315 HydrophobicContact CD1-CD1 3.78Å; Y303-L315 VanDerWaalsContact CD2-N 3.35Å; Y303-L315 HydrophobicContact CE1-CB 3.82Å; Y303-L315 HydrophobicContact CE1-CD1 4.04Å; Y303-L315 HydrophobicContact CE1-CG 4.42Å; Y303-L315 HydrophobicContact CE2-CB 4.31Å; Y303-L315 HydrophobicContact CG-CB 4.4Å; L315-N317 VanDerWaalsContact C-N 3.26Å; L315-N317 PolarHBondContact O-N 3.22Å; L315-L318 HydrophobicContact CD1-CD2 4.42Å; L315-L318 WeakPolarHBondContact O-CB 3.45Å; L315-L318 PolarHBondContact O-N 3.35Å; L315-K319 PolarHBondContact O-N 3.2Å |
| 316 | W | 82.9 | Confident | 79.2 | Confident | 136 Ų | 136 | 72 Ų | 72 | 52% | 0.515 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -34.4 | 178.7 | 77.9 | -102.3 | 0 | 0 | 0 | 112.3 | R314 K319 L320 | R314-W316 VanDerWaalsContact C-N 3.31Å; R314-W316 HydrophobicContact CB-CG 4.43Å; R314-W316 PolarHBondContact O-N 3.33Å; W316-K319 PolarHBondContact O-N 2.83Å; W316-L320 HydrophobicContact CE3-CB 4.47Å; W316-L320 HydrophobicContact CE3-CD2 4.4Å; W316-L320 HydrophobicContact CZ3-CD2 3.8Å; W316-L320 WeakPolarHBondContact O-CB 3.18Å; W316-L320 PolarHBondContact O-N 2.99Å |
| 317 | N | 85 | Confident | 80.1 | Confident | 40 Ų | 40 | 73.1 Ų | 73.1 | 21% | 0.214 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 175.7 | -77.4 | -29.7 | 0 | 0 | 0 | 110.5 | F312 R314 L315 L320 H321 | F312-N317 HydrophobicContact CB-CB 4.03Å; F312-N317 HydrophobicContact CD1-CB 3.8Å; F312-N317 HydrophobicContact CG-CB 4.17Å; R314-N317 HydrophobicContact CB-CB 4.46Å; R314-N317 WeakPolarHBondContact O-CB 3.49Å; R314-N317 PolarHBondContact O-N 3Å; R314-N317 VanDerWaalsContact O-N 3.16Å; L315-N317 VanDerWaalsContact C-N 3.26Å; L315-N317 PolarHBondContact O-N 3.22Å; N317-L320 PolarHBondContact O-N 3.48Å; N317-H321 VanDerWaalsContact O-CB 3.28Å; N317-H321 WeakPolarHBondContact O-CB 3.31Å; N317-H321 PolarHBondContact O-N 3.1Å |
| 318 | L | 83.1 | Confident | 80.7 | Confident | 13 Ų | 13 | 73.5 Ų | 73.5 | 7% | 0.068 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.5 | -47.7 | 174.8 | 171.8 | 61.2 | 0 | 0 | 0 | 111 | C304 C305 F312 R314 L315 L320 H321 Q322 | C304-L318 WeakPolarHBondContact O-CD2 3.49Å; C305-L318 HydrophobicContact CB-CD1 3.7Å; F312-L318 HydrophobicContact CB-CB 4.27Å; F312-L318 HydrophobicContact CD2-CB 3.83Å; F312-L318 HydrophobicContact CD2-CD1 3.73Å; F312-L318 HydrophobicContact CD2-CG 4.38Å; F312-L318 HydrophobicContact CE2-CD1 3.87Å; F312-L318 HydrophobicContact CG-CB 4.2Å; R314-L318 PolarHBondContact O-N 3.42Å; L315-L318 HydrophobicContact CD1-CD2 4.42Å; L315-L318 WeakPolarHBondContact O-CB 3.45Å; L315-L318 PolarHBondContact O-N 3.35Å; L318-L320 VanDerWaalsContact C-N 3.32Å; L318-L320 PolarHBondContact O-N 2.94Å; L318-H321 WeakPolarHBondContact O-CB 3.42Å; L318-H321 PolarHBondContact O-N 3.48Å; L318-H321 VanDerWaalsContact O-N 3.16Å; L318-Q322 HydrophobicContact CD1-CG 4.18Å; L318-Q322 WeakPolarHBondContact O-CG 3.28Å; L318-Q322 PolarHBondContact O-N 3.2Å |
| 319 | K | 85.6 | Confident | 81.6 | Confident | 124 Ų | 124 | 75.9 Ų | 75.9 | 54% | 0.539 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 177.4 | -72.5 | -172.1 | 176.5 | -169.9 | 0 | 112.4 | L315 W316 Q322 | L315-K319 PolarHBondContact O-N 3.2Å; W316-K319 PolarHBondContact O-N 2.83Å; K319-Q322 PolarHBondContact O-N 3.36Å |
| 320 | L | 87.7 | Confident | 82.8 | Confident | 34 Ų | 34 | 77.4 Ų | 77.4 | 18% | 0.178 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -64.6 | -43 | 175.9 | 176.7 | 61.6 | 0 | 0 | 0 | 111.2 | W316 N317 L318 Q322 R323 R342 | W316-L320 HydrophobicContact CE3-CB 4.47Å; W316-L320 HydrophobicContact CE3-CD2 4.4Å; W316-L320 HydrophobicContact CZ3-CD2 3.8Å; W316-L320 WeakPolarHBondContact O-CB 3.18Å; W316-L320 PolarHBondContact O-N 2.99Å; N317-L320 PolarHBondContact O-N 3.48Å; L318-L320 VanDerWaalsContact C-N 3.32Å; L318-L320 PolarHBondContact O-N 2.94Å; L320-Q322 VanDerWaalsContact C-N 3.31Å; L320-Q322 PolarHBondContact O-N 2.89Å; L320-R323 VanDerWaalsContact O-CB 3.31Å; L320-R323 WeakPolarHBondContact O-CB 3.32Å; L320-R323 PolarHBondContact O-N 3.43Å; L320-R342 HydrophobicContact CD1-CG 3.57Å; L320-R342 HydrophobicContact CD2-CG 3.98Å; L320-R342 HydrophobicContact CG-CG 4.38Å |
| 321 | H | 87.1 | Confident | 83.8 | Confident | 24 Ų | 24 | 76 Ų | 76 | 11% | 0.111 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 176.1 | 170.2 | 73.9 | 0 | 0 | 0 | 112.4 | C308 F312 N317 L318 R323 I324 H325 | C308-H321 PolarHBondContact SG-NE2 3.37Å; F312-H321 HydrophobicContact CE1-CB 3.83Å; F312-H321 HydrophobicContact CE2-CB 3.88Å; F312-H321 AromaticContact CE2-CD2 3.51Å; F312-H321 AromaticContact CE2-CG 3.66Å; F312-H321 HydrophobicContact CZ-CB 3.37Å; F312-H321 AromaticContact CZ-CD2 3.47Å; F312-H321 VanDerWaalsContact CZ-CD2 3.47Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.43Å; F312-H321 AromaticContact CZ-CG 3.15Å; F312-H321 AromaticContact CZ-ND1 3.62Å; N317-H321 VanDerWaalsContact O-CB 3.28Å; N317-H321 WeakPolarHBondContact O-CB 3.31Å; N317-H321 PolarHBondContact O-N 3.1Å; L318-H321 WeakPolarHBondContact O-CB 3.42Å; L318-H321 PolarHBondContact O-N 3.48Å; L318-H321 VanDerWaalsContact O-N 3.16Å; H321-R323 PolarHBondContact O-N 3.49Å; H321-R323 VanDerWaalsContact O-N 3.14Å; H321-I324 VanDerWaalsContact O-CB 3.26Å; H321-I324 WeakPolarHBondContact O-CB 3.42Å; H321-I324 WeakPolarHBondContact O-CG1 3.38Å; H321-I324 PolarHBondContact O-N 3.16Å; H321-H325 AromaticContact CD2-NE2 3.95Å; H321-H325 AromaticContact CE1-NE2 3.82Å; H321-H325 AromaticContact NE2-CD2 3.98Å; H321-H325 AromaticContact NE2-NE2 3.19Å; H321-H325 PolarHBondContact NE2-NE2 3.11Å; H321-H325 VanDerWaalsContact NE2-NE2 3.19Å |
| 322 | Q | 84.1 | Confident | 84.6 | Confident | 79 Ų | 79 | 75.7 Ų | 75.7 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.5 | -26.5 | 176.4 | -76.5 | 172.7 | -39.5 | 0 | 0 | 112.8 | L318 K319 L320 I324 H325 T326 | L318-Q322 HydrophobicContact CD1-CG 4.18Å; L318-Q322 WeakPolarHBondContact O-CG 3.28Å; L318-Q322 PolarHBondContact O-N 3.2Å; K319-Q322 PolarHBondContact O-N 3.36Å; L320-Q322 VanDerWaalsContact C-N 3.31Å; L320-Q322 PolarHBondContact O-N 2.89Å; Q322-I324 PolarHBondContact O-N 3.4Å; Q322-H325 PolarHBondContact O-N 2.9Å; Q322-T326 PolarHBondContact O-N 2.93Å; Q322-T326 VanDerWaalsContact O-N 3.15Å |
| 323 | R | 88.1 | Confident | 85.3 | Confident | 80 Ų | 80 | 74.1 Ų | 74.1 | 30% | 0.302 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.4 | -20.4 | 174.1 | -60.7 | -175.7 | -178.7 | 173.2 | -5.3 | 113.9 | L320 H321 H325 T326 Q327 E328 T341 | L320-R323 VanDerWaalsContact O-CB 3.31Å; L320-R323 WeakPolarHBondContact O-CB 3.32Å; L320-R323 PolarHBondContact O-N 3.43Å; H321-R323 PolarHBondContact O-N 3.49Å; H321-R323 VanDerWaalsContact O-N 3.14Å; R323-H325 VanDerWaalsContact C-N 3.34Å; R323-T326 WeakPolarHBondContact CA-OG1 3.49Å; R323-Q327 VanDerWaalsContact O-CA 3.28Å; R323-Q327 WeakPolarHBondContact O-CA 3.32Å; R323-Q327 PolarHBondContact O-N 2.95Å; R323-E328 HydrophobicContact CB-CB 4.44Å; R323-E328 HydrophobicContact CG-CB 4.42Å; R323-E328 PolarHBondContact O-N 3.35Å; R323-T341 HydrophobicContact CB-CG2 4.43Å; R323-T341 PolarHBondContact NH1-O 2.86Å |
| 324 | I | 85.5 | Confident | 86 | Confident | 62 Ų | 62 | 77.6 Ų | 77.6 | 32% | 0.318 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | 173.7 | -58.9 | 173.6 | 0 | 0 | 0 | 109.8 | H321 Q322 Q327 | H321-I324 VanDerWaalsContact O-CB 3.26Å; H321-I324 WeakPolarHBondContact O-CB 3.42Å; H321-I324 WeakPolarHBondContact O-CG1 3.38Å; H321-I324 PolarHBondContact O-N 3.16Å; Q322-I324 PolarHBondContact O-N 3.4Å; I324-Q327 PolarHBondContact O-NE2 3.42Å |
| 325 | H | 83.6 | Confident | 86.6 | Confident | 74 Ų | 74 | 79.5 Ų | 79.5 | 34% | 0.343 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.5 | -38.2 | 178.6 | -60.4 | -56 | 0 | 0 | 0 | 112 | C305 V307 C308 H321 Q322 R323 Q327 | C305-H325 PolarHBondContact SG-NE2 3.38Å; C305-H325 VanDerWaalsContact SG-NE2 3.4Å; V307-H325 HydrophobicContact CG1-CB 4.44Å; C308-H325 PolarHBondContact SG-NE2 3.39Å; C308-H325 VanDerWaalsContact SG-NE2 3.38Å; H321-H325 AromaticContact CD2-NE2 3.95Å; H321-H325 AromaticContact CE1-NE2 3.82Å; H321-H325 AromaticContact NE2-CD2 3.98Å; H321-H325 AromaticContact NE2-NE2 3.19Å; H321-H325 PolarHBondContact NE2-NE2 3.11Å; H321-H325 VanDerWaalsContact NE2-NE2 3.19Å; Q322-H325 PolarHBondContact O-N 2.9Å; R323-H325 VanDerWaalsContact C-N 3.34Å; H325-Q327 VanDerWaalsContact C-N 3.32Å |
| 326 | T | 84.3 | Confident | 87.2 | Confident | 79 Ų | 79 | 77.2 Ų | 77.2 | 49% | 0.485 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -84 | -8.2 | 178.4 | 62.1 | 0 | 0 | 0 | 0 | 113.5 | Q322 R323 E328 | Q322-T326 PolarHBondContact O-N 2.93Å; Q322-T326 VanDerWaalsContact O-N 3.15Å; R323-T326 WeakPolarHBondContact CA-OG1 3.49Å; T326-E328 PolarHBondContact O-N 2.83Å; T326-E328 VanDerWaalsContact O-N 3.08Å; T326-E328 WeakPolarHBondContact OG1-CG 3.26Å |
| 327 | Q | 84.9 | Confident | 87.5 | Confident | 128 Ų | 128 | 77.8 Ų | 77.8 | 60% | 0.598 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 21.3 | -172.3 | -62.7 | -66.2 | -23.3 | 0 | 0 | 113.9 | R323 I324 H325 K329 | R323-Q327 VanDerWaalsContact O-CA 3.28Å; R323-Q327 WeakPolarHBondContact O-CA 3.32Å; R323-Q327 PolarHBondContact O-N 2.95Å; I324-Q327 PolarHBondContact O-NE2 3.42Å; H325-Q327 VanDerWaalsContact C-N 3.32Å; Q327-K329 PolarHBondContact O-N 3.16Å; Q327-K329 VanDerWaalsContact O-N 3.16Å |
| 328 | E | 82.5 | Confident | 87.8 | Confident | 113 Ų | 113 | 81.4 Ų | 81.4 | 53% | 0.528 | 41% | 0.408 | S | S | . | . | trans | -69.3 | 113.3 | 179 | -78.9 | 178.1 | -164.8 | 0 | 0 | 110.9 | R323 T326 P330 | R323-E328 HydrophobicContact CB-CB 4.44Å; R323-E328 HydrophobicContact CG-CB 4.42Å; R323-E328 PolarHBondContact O-N 3.35Å; T326-E328 PolarHBondContact O-N 2.83Å; T326-E328 VanDerWaalsContact O-N 3.08Å; T326-E328 WeakPolarHBondContact OG1-CG 3.26Å; E328-P330 VanDerWaalsContact C-CD 3.45Å; E328-P330 WeakPolarHBondContact O-CD 3.4Å | ||
| 329 | K | 86.8 | Confident | 88.2 | Confident | 105 Ų | 105 | 82.5 Ų | 82.5 | 46% | 0.457 | 42% | 0.416 | S | S | . | . | trans | -116.7 | 76.6 | 177.8 | -70.8 | 166.7 | 172.8 | -176 | 0 | 110 | Q327 H331 S339 F340 T341 | Q327-K329 PolarHBondContact O-N 3.16Å; Q327-K329 VanDerWaalsContact O-N 3.16Å; K329-H331 PolarHBondContact O-N 2.86Å; K329-H331 VanDerWaalsContact O-N 3.09Å; K329-S339 WeakPolarHBondContact CD-O 3.44Å; K329-F340 CarbonylContact C-O 3.31Å; K329-F340 WeakPolarHBondContact CA-O 3.28Å; K329-T341 HydrophobicContact CG-CG2 3.98Å | ||
| 330 | P | 88.6 | Confident | 88.4 | Confident | 77 Ų | 77 | 78.3 Ų | 78.3 | 50% | 0.5 | 40% | 0.398 | S | S | . | . | trans | -69 | -8.3 | -172.7 | 26.7 | -34.5 | 0 | 0 | 0 | 114.2 | E328 | E328-P330 VanDerWaalsContact C-CD 3.45Å; E328-P330 WeakPolarHBondContact O-CD 3.4Å | ||
| 331 | H | 90.7 | Very high | 88.4 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 26% | 0.259 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 90.9 | -175.3 | -57.9 | -68.1 | 0 | 0 | 0 | 110.9 | K329 S339 F340 A343 L346 | K329-H331 PolarHBondContact O-N 2.86Å; K329-H331 VanDerWaalsContact O-N 3.09Å; H331-S339 CarbonylContact O-C 3.34Å; H331-S339 WeakPolarHBondContact O-CA 3.35Å; H331-F340 HydrophobicContact CB-CB 4.43Å; H331-F340 WeakPolarHBondContact CB-O 3.26Å; H331-F340 PolarHBondContact N-O 3.14Å; H331-F340 VanDerWaalsContact N-O 3.09Å; H331-F340 PolarHBondContact O-N 3.16Å; H331-A343 PolarHBondContact CD2-N 3.43Å; H331-A343 VanDerWaalsContact CD2-N 3.28Å; H331-A343 PolarHBondContact NE2-N 3.33Å; H331-L346 HydrophobicContact CB-CB 4.17Å; H331-L346 HydrophobicContact CB-CD2 3.85Å |
| 332 | Q | 92.2 | Very high | 88.4 | Confident | 122 Ų | 122 | 82 Ų | 82 | 57% | 0.57 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 142.9 | 177.2 | -171.6 | 172.7 | 2.4 | 0 | 0 | 111.8 | S339 L346 | Q332-S339 WeakPolarHBondContact CG-OG 3.48Å; Q332-L346 WeakPolarHBondContact O-CD2 3.5Å |
| 333 | C | 93.5 | Very high | 88.7 | Confident | 5 Ų | 5 | 80.9 Ų | 80.9 | 3% | 0.034 | 42% | 0.418 | C | S | . | . | trans | -75 | 137.5 | 170.1 | -168.2 | 0 | 0 | 0 | 0 | 110.7 | M335 C336 K338 L346 | C333-M335 VanDerWaalsContact C-N 3.29Å; C333-M335 PolarHBondContact SG-N 3.46Å; C333-C336 CarbonylContact C-O 3.56Å; C333-C336 WeakPolarHBondContact CB-O 3.27Å; C333-K338 WeakPolarHBondContact CB-O 3.36Å; C333-K338 PolarHBondContact N-O 3.19Å; C333-L346 HydrophobicContact CB-CD1 3.77Å | ||
| 334 | S | 91.8 | Very high | 88.6 | Confident | 103 Ų | 103 | 80.8 Ų | 80.8 | 72% | 0.72 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -77.7 | -15.8 | 175.5 | 56.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 335 | M | 90.3 | Very high | 88.8 | Confident | 134 Ų | 134 | 80.9 Ų | 80.9 | 66% | 0.66 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -102.9 | -10.5 | -175.4 | -57.4 | -62.7 | -71.8 | 0 | 0 | 112.8 | C333 H353 | C333-M335 VanDerWaalsContact C-N 3.29Å; C333-M335 PolarHBondContact SG-N 3.46Å; M335-H353 HydrophobicContact CB-CB 4.39Å; M335-H353 HydrophobicContact CG-CB 4.39Å |
| 336 | C | 92.4 | Very high | 89.2 | Confident | 33 Ų | 33 | 78.3 Ų | 78.3 | 22% | 0.223 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -160.3 | 167.4 | 177.5 | 67.6 | 0 | 0 | 0 | 0 | 111 | C333 K338 H349 H353 | C333-C336 CarbonylContact C-O 3.56Å; C333-C336 WeakPolarHBondContact CB-O 3.27Å; C336-K338 PolarHBondContact O-N 3.03Å; C336-H349 PolarHBondContact SG-NE2 3.29Å; C336-H353 PolarHBondContact SG-NE2 3.06Å; C336-H353 VanDerWaalsContact SG-NE2 3.41Å |
| 337 | D | 90.7 | Very high | 89.6 | Confident | 149 Ų | 149 | 80.9 Ų | 80.9 | 80% | 0.797 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -75.2 | 11 | -176.9 | -56.9 | -45.5 | 0 | 0 | 0 | 114.6 | ||
| 338 | K | 89.7 | Confident | 89.9 | Confident | 116 Ų | 116 | 76.8 Ų | 76.8 | 50% | 0.504 | 40% | 0.4 | S | S | . | . | trans | -80.1 | 127.6 | -179.1 | -63.2 | -170.1 | 179.6 | -165.3 | 0 | 110.9 | C333 C336 F340 | C333-K338 WeakPolarHBondContact CB-O 3.36Å; C333-K338 PolarHBondContact N-O 3.19Å; C336-K338 PolarHBondContact O-N 3.03Å; K338-F340 HydrophobicContact CB-CE2 3.94Å; K338-F340 HydrophobicContact CB-CZ 3.93Å | ||
| 339 | S | 91.9 | Very high | 90.3 | Very high | 35 Ų | 35 | 72.6 Ų | 72.6 | 25% | 0.245 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 147.5 | 175 | -59.2 | 0 | 0 | 0 | 0 | 112 | K329 H331 Q332 | K329-S339 WeakPolarHBondContact CD-O 3.44Å; H331-S339 CarbonylContact O-C 3.34Å; H331-S339 WeakPolarHBondContact O-CA 3.35Å; Q332-S339 WeakPolarHBondContact CG-OG 3.48Å |
| 340 | F | 89.5 | Confident | 90.6 | Very high | 37 Ų | 37 | 70.9 Ų | 70.9 | 16% | 0.162 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 150.7 | -173.4 | -57.9 | -86.3 | 0 | 0 | 0 | 111.7 | K329 H331 K338 R342 I345 L346 H349 | K329-F340 CarbonylContact C-O 3.31Å; K329-F340 WeakPolarHBondContact CA-O 3.28Å; H331-F340 HydrophobicContact CB-CB 4.43Å; H331-F340 WeakPolarHBondContact CB-O 3.26Å; H331-F340 PolarHBondContact N-O 3.14Å; H331-F340 VanDerWaalsContact N-O 3.09Å; H331-F340 PolarHBondContact O-N 3.16Å; K338-F340 HydrophobicContact CB-CE2 3.94Å; K338-F340 HydrophobicContact CB-CZ 3.93Å; F340-R342 VanDerWaalsContact C-N 3.28Å; F340-R342 PolarHBondContact O-N 3.31Å; F340-I345 HydrophobicContact CD1-CB 4.43Å; F340-I345 HydrophobicContact CD1-CG2 3.58Å; F340-I345 HydrophobicContact CE1-CG2 4.14Å; F340-I345 HydrophobicContact CG-CG2 4.29Å; F340-L346 HydrophobicContact CB-CB 4.31Å; F340-L346 HydrophobicContact CD2-CB 3.89Å; F340-L346 HydrophobicContact CD2-CD1 3.73Å; F340-L346 HydrophobicContact CD2-CG 4.4Å; F340-L346 HydrophobicContact CE2-CD1 3.93Å; F340-L346 HydrophobicContact CG-CB 4.3Å; F340-H349 HydrophobicContact CE1-CB 4.09Å; F340-H349 HydrophobicContact CE2-CB 3.83Å; F340-H349 AromaticContact CE2-CD2 3.33Å; F340-H349 WeakPolarHBondContact CE2-CD2 3.41Å; F340-H349 AromaticContact CE2-CG 3.55Å; F340-H349 HydrophobicContact CZ-CB 3.5Å; F340-H349 AromaticContact CZ-CD2 3.44Å; F340-H349 VanDerWaalsContact CZ-CD2 3.44Å; F340-H349 WeakPolarHBondContact CZ-CD2 3.24Å; F340-H349 AromaticContact CZ-CG 3.2Å; F340-H349 AromaticContact CZ-ND1 3.66Å; F340-H349 AromaticContact CZ-NE2 4Å |
| 341 | T | 88.1 | Confident | 90.8 | Very high | 40 Ų | 40 | 69.2 Ų | 69.2 | 25% | 0.245 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -75.3 | -18.8 | 177.7 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | R323 K329 | R323-T341 HydrophobicContact CB-CG2 4.43Å; R323-T341 PolarHBondContact NH1-O 2.86Å; K329-T341 HydrophobicContact CG-CG2 3.98Å |
| 342 | R | 88.3 | Confident | 90.8 | Very high | 95 Ų | 95 | 69.6 Ų | 69.6 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -137.1 | 144.1 | -177.5 | -54.1 | 161 | 58.5 | 156.2 | -4.8 | 112.3 | L320 F340 D344 I345 L346 | L320-R342 HydrophobicContact CD1-CG 3.57Å; L320-R342 HydrophobicContact CD2-CG 3.98Å; L320-R342 HydrophobicContact CG-CG 4.38Å; F340-R342 VanDerWaalsContact C-N 3.28Å; F340-R342 PolarHBondContact O-N 3.31Å; R342-D344 WeakPolarHBondContact CB-OD1 3.41Å; R342-D344 IonicContact CZ-OD1 3.44Å; R342-D344 IonicContact CZ-OD2 2.68Å; R342-D344 IonicContact NE-OD1 3.39Å; R342-D344 PolarHBondContact NE-OD1 3.18Å; R342-D344 IonicContact NE-OD2 3.51Å; R342-D344 IonicContact NH2-OD1 2.87Å; R342-D344 PolarHBondContact NH2-OD1 3.26Å; R342-D344 IonicContact NH2-OD2 3.55Å; R342-D344 PolarHBondContact NH2-OD2 3.36Å; R342-I345 HydrophobicContact CB-CB 4.49Å; R342-I345 HydrophobicContact CB-CG1 4.05Å; R342-I345 PolarHBondContact O-N 2.88Å; R342-L346 PolarHBondContact O-N 3.1Å |
| 343 | A | 88.8 | Confident | 90.7 | Very high | 56 Ų | 56 | 67.5 Ų | 67.5 | 46% | 0.463 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67 | -34.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | H331 I345 L346 K347 | H331-A343 PolarHBondContact CD2-N 3.43Å; H331-A343 VanDerWaalsContact CD2-N 3.28Å; H331-A343 PolarHBondContact NE2-N 3.33Å; A343-I345 VanDerWaalsContact C-N 3.34Å; A343-L346 PolarHBondContact O-N 2.97Å; A343-K347 PolarHBondContact O-N 3.17Å |
| 344 | D | 87.1 | Confident | 90.6 | Very high | 77 Ų | 77 | 71.3 Ų | 71.3 | 41% | 0.412 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.2 | -35.7 | 179.3 | 63 | -46 | 0 | 0 | 0 | 112 | R342 K347 V348 | R342-D344 WeakPolarHBondContact CB-OD1 3.41Å; R342-D344 IonicContact CZ-OD1 3.44Å; R342-D344 IonicContact CZ-OD2 2.68Å; R342-D344 IonicContact NE-OD1 3.39Å; R342-D344 PolarHBondContact NE-OD1 3.18Å; R342-D344 IonicContact NE-OD2 3.51Å; R342-D344 IonicContact NH2-OD1 2.87Å; R342-D344 PolarHBondContact NH2-OD1 3.26Å; R342-D344 IonicContact NH2-OD2 3.55Å; R342-D344 PolarHBondContact NH2-OD2 3.36Å; D344-K347 PolarHBondContact O-N 3.36Å; D344-V348 WeakPolarHBondContact O-CG2 3.34Å; D344-V348 PolarHBondContact O-N 2.75Å |
| 345 | I | 89.7 | Confident | 90.5 | Very high | 64 Ų | 64 | 68.6 Ų | 68.6 | 33% | 0.328 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68 | -42.7 | 173.4 | -55.1 | -58 | 0 | 0 | 0 | 110.6 | F340 R342 A343 K347 V348 H349 | F340-I345 HydrophobicContact CD1-CB 4.43Å; F340-I345 HydrophobicContact CD1-CG2 3.58Å; F340-I345 HydrophobicContact CE1-CG2 4.14Å; F340-I345 HydrophobicContact CG-CG2 4.29Å; R342-I345 HydrophobicContact CB-CB 4.49Å; R342-I345 HydrophobicContact CB-CG1 4.05Å; R342-I345 PolarHBondContact O-N 2.88Å; A343-I345 VanDerWaalsContact C-N 3.34Å; I345-K347 VanDerWaalsContact C-N 3.3Å; I345-K347 PolarHBondContact O-N 3.44Å; I345-V348 PolarHBondContact O-N 2.84Å; I345-H349 WeakPolarHBondContact O-CB 3.49Å; I345-H349 PolarHBondContact O-N 3.16Å |
| 346 | L | 92.5 | Very high | 90.5 | Very high | 20 Ų | 20 | 67.7 Ų | 67.7 | 11% | 0.105 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 172.2 | 170.4 | 61.8 | 0 | 0 | 0 | 111.2 | H331 Q332 C333 F340 R342 A343 V348 H349 Q350 | H331-L346 HydrophobicContact CB-CB 4.17Å; H331-L346 HydrophobicContact CB-CD2 3.85Å; Q332-L346 WeakPolarHBondContact O-CD2 3.5Å; C333-L346 HydrophobicContact CB-CD1 3.77Å; F340-L346 HydrophobicContact CB-CB 4.31Å; F340-L346 HydrophobicContact CD2-CB 3.89Å; F340-L346 HydrophobicContact CD2-CD1 3.73Å; F340-L346 HydrophobicContact CD2-CG 4.4Å; F340-L346 HydrophobicContact CE2-CD1 3.93Å; F340-L346 HydrophobicContact CG-CB 4.3Å; R342-L346 PolarHBondContact O-N 3.1Å; A343-L346 PolarHBondContact O-N 2.97Å; L346-V348 VanDerWaalsContact C-N 3.34Å; L346-V348 PolarHBondContact O-N 2.72Å; L346-H349 CarbonylContact O-C 3.58Å; L346-H349 WeakPolarHBondContact O-CA 3.26Å; L346-H349 WeakPolarHBondContact O-CB 3.33Å; L346-H349 PolarHBondContact O-N 3.41Å; L346-H349 VanDerWaalsContact O-N 3.12Å; L346-Q350 HydrophobicContact CD1-CG 4.15Å; L346-Q350 HydrophobicContact CG-CG 4.49Å; L346-Q350 WeakPolarHBondContact O-CG 3.39Å; L346-Q350 PolarHBondContact O-N 3.29Å |
| 347 | K | 91.3 | Very high | 90.4 | Very high | 134 Ų | 134 | 71.1 Ų | 71.1 | 58% | 0.583 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.6 | -39.4 | -179.6 | -164.1 | 173.8 | -170.7 | 172.3 | 0 | 112.4 | A343 D344 I345 Q350 | A343-K347 PolarHBondContact O-N 3.17Å; D344-K347 PolarHBondContact O-N 3.36Å; I345-K347 VanDerWaalsContact C-N 3.3Å; I345-K347 PolarHBondContact O-N 3.44Å; K347-Q350 PolarHBondContact O-N 3.49Å |
| 348 | V | 91.2 | Very high | 90.4 | Very high | 41 Ų | 41 | 67.2 Ų | 67.2 | 25% | 0.248 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.6 | -39.5 | 173 | 170.6 | 0 | 0 | 0 | 0 | 111 | D344 I345 L346 Q350 R351 R370 | D344-V348 WeakPolarHBondContact O-CG2 3.34Å; D344-V348 PolarHBondContact O-N 2.75Å; I345-V348 PolarHBondContact O-N 2.84Å; L346-V348 VanDerWaalsContact C-N 3.34Å; L346-V348 PolarHBondContact O-N 2.72Å; V348-Q350 VanDerWaalsContact C-N 3.34Å; V348-R351 VanDerWaalsContact O-CB 3.32Å; V348-R351 WeakPolarHBondContact O-CB 3.21Å; V348-R351 PolarHBondContact O-N 3.37Å; V348-R370 HydrophobicContact CG1-CG 3.44Å; V348-R370 VanDerWaalsContact CG1-CG 3.44Å; V348-R370 HydrophobicContact CG2-CG 4.27Å |
| 349 | H | 92.3 | Very high | 90.6 | Very high | 25 Ų | 25 | 65 Ų | 65 | 12% | 0.116 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.5 | -40 | 174.8 | 171.9 | 67.4 | 0 | 0 | 0 | 111.7 | C336 F340 I345 L346 R351 T352 H353 | C336-H349 PolarHBondContact SG-NE2 3.29Å; F340-H349 HydrophobicContact CE1-CB 4.09Å; F340-H349 HydrophobicContact CE2-CB 3.83Å; F340-H349 AromaticContact CE2-CD2 3.33Å; F340-H349 WeakPolarHBondContact CE2-CD2 3.41Å; F340-H349 AromaticContact CE2-CG 3.55Å; F340-H349 HydrophobicContact CZ-CB 3.5Å; F340-H349 AromaticContact CZ-CD2 3.44Å; F340-H349 VanDerWaalsContact CZ-CD2 3.44Å; F340-H349 WeakPolarHBondContact CZ-CD2 3.24Å; F340-H349 AromaticContact CZ-CG 3.2Å; F340-H349 AromaticContact CZ-ND1 3.66Å; F340-H349 AromaticContact CZ-NE2 4Å; I345-H349 WeakPolarHBondContact O-CB 3.49Å; I345-H349 PolarHBondContact O-N 3.16Å; L346-H349 CarbonylContact O-C 3.58Å; L346-H349 WeakPolarHBondContact O-CA 3.26Å; L346-H349 WeakPolarHBondContact O-CB 3.33Å; L346-H349 PolarHBondContact O-N 3.41Å; L346-H349 VanDerWaalsContact O-N 3.12Å; H349-R351 PolarHBondContact O-N 3.18Å; H349-R351 VanDerWaalsContact O-N 3.12Å; H349-T352 WeakPolarHBondContact O-CA 3.3Å; H349-T352 WeakPolarHBondContact O-CB 3.38Å; H349-T352 WeakPolarHBondContact O-CG2 3.23Å; H349-T352 PolarHBondContact O-N 3.29Å; H349-T352 PolarHBondContact O-OG1 3.19Å; H349-H353 AromaticContact CD2-NE2 3.98Å; H349-H353 AromaticContact CE1-NE2 3.65Å; H349-H353 AromaticContact NE2-CD2 3.88Å; H349-H353 AromaticContact NE2-NE2 3.13Å; H349-H353 PolarHBondContact NE2-NE2 3.38Å; H349-H353 VanDerWaalsContact NE2-NE2 3.13Å |
| 350 | Q | 91.8 | Very high | 90.6 | Very high | 69 Ų | 69 | 66.2 Ų | 66.2 | 32% | 0.322 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -57.3 | -30.7 | 176.1 | -75 | 171.6 | -34.1 | 0 | 0 | 112.7 | L346 K347 V348 T352 H353 T354 | L346-Q350 HydrophobicContact CD1-CG 4.15Å; L346-Q350 HydrophobicContact CG-CG 4.49Å; L346-Q350 WeakPolarHBondContact O-CG 3.39Å; L346-Q350 PolarHBondContact O-N 3.29Å; K347-Q350 PolarHBondContact O-N 3.49Å; V348-Q350 VanDerWaalsContact C-N 3.34Å; Q350-T352 PolarHBondContact O-N 2.84Å; Q350-T352 VanDerWaalsContact O-N 3.16Å; Q350-H353 PolarHBondContact O-N 3.38Å; Q350-T354 PolarHBondContact O-N 3.4Å |
| 351 | R | 92.8 | Very high | 90.8 | Very high | 43 Ų | 43 | 64.6 Ų | 64.6 | 16% | 0.162 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65 | -14.1 | 172.8 | -59.5 | 176.4 | 177 | 161.7 | -0.9 | 113.8 | V348 H349 T354 G355 E356 K369 | V348-R351 VanDerWaalsContact O-CB 3.32Å; V348-R351 WeakPolarHBondContact O-CB 3.21Å; V348-R351 PolarHBondContact O-N 3.37Å; H349-R351 PolarHBondContact O-N 3.18Å; H349-R351 VanDerWaalsContact O-N 3.12Å; R351-T354 WeakPolarHBondContact CA-OG1 3.38Å; R351-G355 WeakPolarHBondContact O-CA 3.47Å; R351-G355 PolarHBondContact O-N 2.93Å; R351-G355 VanDerWaalsContact O-N 3.08Å; R351-E356 HydrophobicContact CB-CB 4.36Å; R351-E356 HydrophobicContact CG-CB 4.25Å; R351-E356 PolarHBondContact O-N 3.41Å; R351-K369 HydrophobicContact CB-CG 4.47Å; R351-K369 PolarHBondContact NH1-O 3.49Å; R351-K369 WeakPolarHBondContact O-CE 3.43Å |
| 352 | T | 91.5 | Very high | 90.9 | Very high | 64 Ų | 64 | 67.4 Ų | 67.4 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -74.9 | -29.6 | 172.2 | 71 | 0 | 0 | 0 | 0 | 112.4 | H349 Q350 K369 | H349-T352 WeakPolarHBondContact O-CA 3.3Å; H349-T352 WeakPolarHBondContact O-CB 3.38Å; H349-T352 WeakPolarHBondContact O-CG2 3.23Å; H349-T352 PolarHBondContact O-N 3.29Å; H349-T352 PolarHBondContact O-OG1 3.19Å; Q350-T352 PolarHBondContact O-N 2.84Å; Q350-T352 VanDerWaalsContact O-N 3.16Å; T352-K369 HydrophobicContact CG2-CD 4.12Å |
| 353 | H | 90.4 | Very high | 90.8 | Very high | 77 Ų | 77 | 67.8 Ų | 67.8 | 36% | 0.356 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -80.7 | -41.6 | 176.4 | -61.6 | -62.6 | 0 | 0 | 0 | 111.5 | M335 C336 H349 Q350 | M335-H353 HydrophobicContact CB-CB 4.39Å; M335-H353 HydrophobicContact CG-CB 4.39Å; C336-H353 PolarHBondContact SG-NE2 3.06Å; C336-H353 VanDerWaalsContact SG-NE2 3.41Å; H349-H353 AromaticContact CD2-NE2 3.98Å; H349-H353 AromaticContact CE1-NE2 3.65Å; H349-H353 AromaticContact NE2-CD2 3.88Å; H349-H353 AromaticContact NE2-NE2 3.13Å; H349-H353 PolarHBondContact NE2-NE2 3.38Å; H349-H353 VanDerWaalsContact NE2-NE2 3.13Å; Q350-H353 PolarHBondContact O-N 3.38Å |
| 354 | T | 90.3 | Very high | 91 | Very high | 86 Ų | 86 | 68.2 Ų | 68.2 | 53% | 0.528 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -81.8 | -14.6 | -179.6 | 64 | 0 | 0 | 0 | 0 | 113.8 | Q350 R351 E356 | Q350-T354 PolarHBondContact O-N 3.4Å; R351-T354 WeakPolarHBondContact CA-OG1 3.38Å; T354-E356 PolarHBondContact O-N 3.29Å; T354-E356 WeakPolarHBondContact OG1-CG 3.41Å; T354-E356 PolarHBondContact OG1-N 3.29Å |
| 355 | G | 89.3 | Confident | 91.1 | Very high | 45 Ų | 45 | 67 Ų | 67 | 46% | 0.464 | 38% | 0.38 | S | S | . | . | trans | 71.4 | 4.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R351 R357 | R351-G355 WeakPolarHBondContact O-CA 3.47Å; R351-G355 PolarHBondContact O-N 2.93Å; R351-G355 VanDerWaalsContact O-N 3.08Å; G355-R357 PolarHBondContact O-N 3.45Å | ||
| 356 | E | 90.8 | Very high | 91.1 | Very high | 115 Ų | 115 | 68.5 Ų | 68.5 | 54% | 0.537 | 39% | 0.386 | S | S | . | . | trans | -60.8 | 125 | -178.2 | -77.3 | 179.8 | -172 | 0 | 0 | 112.6 | R351 T354 P358 | R351-E356 HydrophobicContact CB-CB 4.36Å; R351-E356 HydrophobicContact CG-CB 4.25Å; R351-E356 PolarHBondContact O-N 3.41Å; T354-E356 PolarHBondContact O-N 3.29Å; T354-E356 WeakPolarHBondContact OG1-CG 3.41Å; T354-E356 PolarHBondContact OG1-N 3.29Å; E356-P358 WeakPolarHBondContact O-CD 3.47Å | ||
| 357 | R | 90.9 | Very high | 91.1 | Very high | 105 Ų | 105 | 68.7 Ų | 68.7 | 40% | 0.396 | 39% | 0.389 | S | S | . | . | trans | -123.6 | 75.8 | 176.7 | -62 | 177.1 | 83.5 | 105.8 | -3.1 | 110.2 | G355 Y359 H366 S367 F368 K369 | G355-R357 PolarHBondContact O-N 3.45Å; R357-Y359 PolarHBondContact O-N 3.02Å; R357-Y359 VanDerWaalsContact O-N 3.11Å; R357-H366 PolarHBondContact NH2-NE2 3.22Å; R357-S367 VanDerWaalsContact CB-CB 3.47Å; R357-S367 VanDerWaalsContact NE-C 3.33Å; R357-S367 PolarHBondContact NE-O 3.31Å; R357-S367 PolarHBondContact NH2-O 3.18Å; R357-F368 CarbonylContact C-O 3.58Å; R357-F368 VanDerWaalsContact C-O 3.31Å; R357-F368 WeakPolarHBondContact CA-O 3.33Å; R357-K369 HydrophobicContact CG-CG 3.99Å | ||
| 358 | P | 90.6 | Very high | 91.1 | Very high | 67 Ų | 67 | 63.4 Ų | 63.4 | 44% | 0.435 | 37% | 0.366 | S | S | . | . | trans | -70.6 | -8.7 | -170.1 | 27.1 | -34.5 | 0 | 0 | 0 | 114.5 | E356 | E356-P358 WeakPolarHBondContact O-CD 3.47Š| ||
| 359 | Y | 93.1 | Very high | 91.1 | Very high | 69 Ų | 69 | 64.2 Ų | 64.2 | 27% | 0.271 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 103.1 | -175.5 | -55.7 | -69.5 | 0 | 0 | 0 | 110.9 | R357 S367 F368 L371 | R357-Y359 PolarHBondContact O-N 3.02Å; R357-Y359 VanDerWaalsContact O-N 3.11Å; Y359-S367 CarbonylContact O-C 3.59Å; Y359-S367 WeakPolarHBondContact O-CA 3.43Å; Y359-F368 PolarHBondContact N-O 2.79Å; Y359-F368 PolarHBondContact O-N 3.28Å; Y359-L371 HydrophobicContact CD1-CB 4.14Å; Y359-L371 HydrophobicContact CD1-CD1 3.95Å; Y359-L371 HydrophobicContact CD2-CB 4.43Å; Y359-L371 HydrophobicContact CE1-CB 3.93Å; Y359-L371 HydrophobicContact CE1-CD1 4.25Å; Y359-L371 HydrophobicContact CE2-CB 4.21Å; Y359-L371 HydrophobicContact CG-CB 4.38Å |
| 360 | C | 93 | Very high | 91 | Very high | 62 Ų | 62 | 66.5 Ų | 66.5 | 42% | 0.419 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 139.4 | -179.2 | -53.8 | 0 | 0 | 0 | 0 | 111.8 | S367 | C360-S367 PolarHBondContact SG-OG 3.16Å |
| 361 | C | 92.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.02 | 38% | 0.378 | C | S | . | . | trans | -76.2 | 122.2 | 169.1 | -173.3 | 0 | 0 | 0 | 0 | 109.9 | I363 G365 H366 F368 L374 | C361-I363 PolarHBondContact O-N 3.19Å; C361-I363 PolarHBondContact SG-N 2.92Å; C361-G365 WeakPolarHBondContact O-CA 3.23Å; C361-G365 PolarHBondContact O-N 2.82Å; C361-H366 WeakPolarHBondContact CB-O 3.41Å; C361-H366 PolarHBondContact N-O 3.43Å; C361-F368 HydrophobicContact CB-CE2 4.44Å; C361-L374 HydrophobicContact CB-CD1 3.75Å | ||
| 362 | A | 89.6 | Confident | 90.8 | Very high | 99 Ų | 99 | 68.2 Ų | 68.2 | 82% | 0.818 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -20 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 363 | I | 88.1 | Confident | 90.8 | Very high | 102 Ų | 102 | 69.3 Ų | 69.3 | 52% | 0.523 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -47 | -176 | -57.9 | 173.1 | 0 | 0 | 0 | 110.9 | C361 H381 | C361-I363 PolarHBondContact O-N 3.19Å; C361-I363 PolarHBondContact SG-N 2.92Å; I363-H381 HydrophobicContact CD1-CB 3.53Å; I363-H381 HydrophobicContact CG2-CB 4.35Å |
| 364 | C | 91.4 | Very high | 91 | Very high | 65 Ų | 65 | 66.2 Ų | 66.2 | 44% | 0.439 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.1 | 3.5 | -175.1 | 68.8 | 0 | 0 | 0 | 0 | 114.6 | H366 H377 H381 | C364-H366 PolarHBondContact O-N 2.87Å; C364-H366 VanDerWaalsContact O-N 3.08Å; C364-H377 PolarHBondContact SG-NE2 3.26Å; C364-H381 PolarHBondContact SG-NE2 3.42Å; C364-H381 VanDerWaalsContact SG-NE2 3.43Å |
| 365 | G | 89.1 | Confident | 91 | Very high | 51 Ų | 51 | 68 Ų | 68 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | trans | 72 | -5.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | C361 S367 | C361-G365 WeakPolarHBondContact O-CA 3.23Å; C361-G365 PolarHBondContact O-N 2.82Å; G365-S367 PolarHBondContact O-N 3.12Å | ||
| 366 | H | 91.3 | Very high | 91.1 | Very high | 96 Ų | 96 | 68.1 Ų | 68.1 | 44% | 0.444 | 37% | 0.369 | S | S | . | . | trans | -67.8 | 127.5 | -176.7 | -162.1 | 82.4 | 0 | 0 | 0 | 111.8 | R357 C361 C364 F368 | R357-H366 PolarHBondContact NH2-NE2 3.22Å; C361-H366 WeakPolarHBondContact CB-O 3.41Å; C361-H366 PolarHBondContact N-O 3.43Å; C364-H366 PolarHBondContact O-N 2.87Å; C364-H366 VanDerWaalsContact O-N 3.08Å; H366-F368 HydrophobicContact CB-CE2 4.3Å; H366-F368 HydrophobicContact CB-CZ 4.46Å; H366-F368 AromaticContact CD2-CE1 3.72Å; H366-F368 AromaticContact CD2-CE2 3.75Å; H366-F368 AromaticContact CD2-CZ 3.39Å; H366-F368 WeakPolarHBondContact CD2-CZ 3.36Å; H366-F368 WeakPolarHBondContact O-CD2 3.4Å; H366-F368 VanDerWaalsContact O-CE2 3.28Å; H366-F368 WeakPolarHBondContact O-CE2 3.42Å | ||
| 367 | S | 92.4 | Very high | 91.1 | Very high | 24 Ų | 24 | 64.6 Ų | 64.6 | 17% | 0.168 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 154.4 | -177.5 | -47.6 | 0 | 0 | 0 | 0 | 111.8 | R357 Y359 C360 G365 | R357-S367 VanDerWaalsContact CB-CB 3.47Å; R357-S367 VanDerWaalsContact NE-C 3.33Å; R357-S367 PolarHBondContact NE-O 3.31Å; R357-S367 PolarHBondContact NH2-O 3.18Å; Y359-S367 CarbonylContact O-C 3.59Å; Y359-S367 WeakPolarHBondContact O-CA 3.43Å; C360-S367 PolarHBondContact SG-OG 3.16Å; G365-S367 PolarHBondContact O-N 3.12Å |
| 368 | F | 90.8 | Very high | 91.1 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 149 | -178.4 | -61.3 | -90.4 | 0 | 0 | 0 | 111.4 | R357 Y359 C361 H366 R370 H373 L374 H377 | R357-F368 CarbonylContact C-O 3.58Å; R357-F368 VanDerWaalsContact C-O 3.31Å; R357-F368 WeakPolarHBondContact CA-O 3.33Å; Y359-F368 PolarHBondContact N-O 2.79Å; Y359-F368 PolarHBondContact O-N 3.28Å; C361-F368 HydrophobicContact CB-CE2 4.44Å; H366-F368 HydrophobicContact CB-CE2 4.3Å; H366-F368 HydrophobicContact CB-CZ 4.46Å; H366-F368 AromaticContact CD2-CE1 3.72Å; H366-F368 AromaticContact CD2-CE2 3.75Å; H366-F368 AromaticContact CD2-CZ 3.39Å; H366-F368 WeakPolarHBondContact CD2-CZ 3.36Å; H366-F368 WeakPolarHBondContact O-CD2 3.4Å; H366-F368 VanDerWaalsContact O-CE2 3.28Å; H366-F368 WeakPolarHBondContact O-CE2 3.42Å; F368-R370 VanDerWaalsContact C-N 3.32Å; F368-H373 HydrophobicContact CB-CB 4.46Å; F368-H373 HydrophobicContact CD1-CB 3.83Å; F368-H373 HydrophobicContact CG-CB 4.38Å; F368-L374 HydrophobicContact CB-CB 4.43Å; F368-L374 HydrophobicContact CD2-CB 3.83Å; F368-L374 HydrophobicContact CD2-CD1 3.84Å; F368-L374 HydrophobicContact CD2-CG 4.44Å; F368-L374 HydrophobicContact CE2-CB 4.45Å; F368-L374 HydrophobicContact CE2-CD1 3.89Å; F368-L374 HydrophobicContact CG-CB 4.27Å; F368-H377 HydrophobicContact CE1-CB 4.06Å; F368-H377 HydrophobicContact CE2-CB 3.99Å; F368-H377 AromaticContact CE2-CD2 3.65Å; F368-H377 AromaticContact CE2-CG 3.8Å; F368-H377 HydrophobicContact CZ-CB 3.41Å; F368-H377 VanDerWaalsContact CZ-CB 3.41Å; F368-H377 AromaticContact CZ-CD2 3.62Å; F368-H377 AromaticContact CZ-CG 3.29Å; F368-H377 AromaticContact CZ-ND1 3.69Å |
| 369 | K | 90 | Very high | 91 | Very high | 58 Ų | 58 | 67.7 Ų | 67.7 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -75.1 | -21.3 | 174.3 | -62.8 | 179.2 | 175.3 | 163.6 | 0 | 112.8 | R351 T352 R357 | R351-K369 HydrophobicContact CB-CG 4.47Å; R351-K369 PolarHBondContact NH1-O 3.49Å; R351-K369 WeakPolarHBondContact O-CE 3.43Å; T352-K369 HydrophobicContact CG2-CD 4.12Å; R357-K369 HydrophobicContact CG-CG 3.99Å |
| 370 | R | 90.3 | Very high | 90.8 | Very high | 73 Ų | 73 | 70.7 Ų | 70.7 | 28% | 0.275 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -132.1 | 145.9 | -176.5 | -69.2 | 172.3 | 56.9 | 166.7 | -0.3 | 112.5 | V348 F368 D372 H373 L374 | V348-R370 HydrophobicContact CG1-CG 3.44Å; V348-R370 VanDerWaalsContact CG1-CG 3.44Å; V348-R370 HydrophobicContact CG2-CG 4.27Å; F368-R370 VanDerWaalsContact C-N 3.32Å; R370-D372 VanDerWaalsContact CB-OD1 3.31Å; R370-D372 WeakPolarHBondContact CB-OD1 3.42Å; R370-D372 IonicContact CZ-OD1 3.39Å; R370-D372 IonicContact CZ-OD2 2.69Å; R370-D372 VanDerWaalsContact CZ-OD2 3.31Å; R370-D372 IonicContact NE-OD1 3.59Å; R370-D372 PolarHBondContact NE-OD1 3.33Å; R370-D372 IonicContact NE-OD2 3.31Å; R370-D372 PolarHBondContact NE-OD2 3.13Å; R370-D372 IonicContact NH2-OD1 3.44Å; R370-D372 PolarHBondContact NH2-OD1 2.79Å; R370-D372 IonicContact NH2-OD2 2.93Å; R370-D372 PolarHBondContact NH2-OD2 3.47Å; R370-H373 HydrophobicContact CB-CB 4.47Å; R370-H373 WeakPolarHBondContact CD-NE2 3.43Å; R370-L374 PolarHBondContact O-N 3.22Å |
| 371 | L | 91.1 | Very high | 90.4 | Very high | 76 Ų | 76 | 69.3 Ų | 69.3 | 40% | 0.398 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.1 | -37.7 | -179.2 | 178.9 | 61.3 | 0 | 0 | 0 | 112.9 | Y359 H373 L374 K375 | Y359-L371 HydrophobicContact CD1-CB 4.14Å; Y359-L371 HydrophobicContact CD1-CD1 3.95Å; Y359-L371 HydrophobicContact CD2-CB 4.43Å; Y359-L371 HydrophobicContact CE1-CB 3.93Å; Y359-L371 HydrophobicContact CE1-CD1 4.25Å; Y359-L371 HydrophobicContact CE2-CB 4.21Å; Y359-L371 HydrophobicContact CG-CB 4.38Å; L371-H373 VanDerWaalsContact C-N 3.3Å; L371-H373 PolarHBondContact O-N 3.1Å; L371-L374 HydrophobicContact CD1-CD2 4.26Å; L371-L374 WeakPolarHBondContact O-CB 3.18Å; L371-L374 PolarHBondContact O-N 2.99Å; L371-K375 WeakPolarHBondContact O-CG 3.48Å; L371-K375 PolarHBondContact O-N 3.38Å |
| 372 | D | 89.9 | Confident | 89.8 | Confident | 72 Ų | 72 | 73 Ų | 73 | 39% | 0.385 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.3 | -33.5 | 179.7 | 58.2 | -63.6 | 0 | 0 | 0 | 112.1 | R370 K375 S376 | R370-D372 VanDerWaalsContact CB-OD1 3.31Å; R370-D372 WeakPolarHBondContact CB-OD1 3.42Å; R370-D372 IonicContact CZ-OD1 3.39Å; R370-D372 IonicContact CZ-OD2 2.69Å; R370-D372 VanDerWaalsContact CZ-OD2 3.31Å; R370-D372 IonicContact NE-OD1 3.59Å; R370-D372 PolarHBondContact NE-OD1 3.33Å; R370-D372 IonicContact NE-OD2 3.31Å; R370-D372 PolarHBondContact NE-OD2 3.13Å; R370-D372 IonicContact NH2-OD1 3.44Å; R370-D372 PolarHBondContact NH2-OD1 2.79Å; R370-D372 IonicContact NH2-OD2 2.93Å; R370-D372 PolarHBondContact NH2-OD2 3.47Å; D372-K375 PolarHBondContact O-N 2.99Å; D372-S376 WeakPolarHBondContact O-CB 3.42Å; D372-S376 PolarHBondContact O-N 2.91Å |
| 373 | H | 92 | Very high | 89 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 40% | 0.398 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.2 | -43.6 | 170.6 | -65.1 | -27.8 | 0 | 0 | 0 | 112 | F368 R370 L371 K375 S376 H377 | F368-H373 HydrophobicContact CB-CB 4.46Å; F368-H373 HydrophobicContact CD1-CB 3.83Å; F368-H373 HydrophobicContact CG-CB 4.38Å; R370-H373 HydrophobicContact CB-CB 4.47Å; R370-H373 WeakPolarHBondContact CD-NE2 3.43Å; L371-H373 VanDerWaalsContact C-N 3.3Å; L371-H373 PolarHBondContact O-N 3.1Å; H373-K375 PolarHBondContact O-N 3.38Å; H373-S376 PolarHBondContact O-N 3.26Å; H373-H377 VanDerWaalsContact O-CB 3.31Å; H373-H377 WeakPolarHBondContact O-CB 3.26Å; H373-H377 PolarHBondContact O-N 2.73Å |
| 374 | L | 93.4 | Very high | 88 | Confident | 13 Ų | 13 | 72 Ų | 72 | 7% | 0.068 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58 | -48.4 | 172.9 | 171.3 | 62.5 | 0 | 0 | 0 | 111.1 | C361 F368 R370 L371 S376 H377 Q378 | C361-L374 HydrophobicContact CB-CD1 3.75Å; F368-L374 HydrophobicContact CB-CB 4.43Å; F368-L374 HydrophobicContact CD2-CB 3.83Å; F368-L374 HydrophobicContact CD2-CD1 3.84Å; F368-L374 HydrophobicContact CD2-CG 4.44Å; F368-L374 HydrophobicContact CE2-CB 4.45Å; F368-L374 HydrophobicContact CE2-CD1 3.89Å; F368-L374 HydrophobicContact CG-CB 4.27Å; R370-L374 PolarHBondContact O-N 3.22Å; L371-L374 HydrophobicContact CD1-CD2 4.26Å; L371-L374 WeakPolarHBondContact O-CB 3.18Å; L371-L374 PolarHBondContact O-N 2.99Å; L374-S376 VanDerWaalsContact C-N 3.31Å; L374-S376 PolarHBondContact O-N 3.16Å; L374-H377 WeakPolarHBondContact O-CB 3.5Å; L374-H377 PolarHBondContact O-N 3.2Å; L374-Q378 HydrophobicContact CD1-CG 3.94Å; L374-Q378 HydrophobicContact CG-CG 4.36Å; L374-Q378 WeakPolarHBondContact O-CB 3.49Å; L374-Q378 WeakPolarHBondContact O-CG 3.21Å; L374-Q378 PolarHBondContact O-N 3.1Å |
| 375 | K | 92 | Very high | 86.7 | Confident | 122 Ų | 122 | 74.4 Ų | 74.4 | 53% | 0.53 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.4 | -41.3 | 178.1 | -72.5 | -177.6 | 177.8 | -174.1 | 0 | 112.1 | L371 D372 H373 Q378 R379 | L371-K375 WeakPolarHBondContact O-CG 3.48Å; L371-K375 PolarHBondContact O-N 3.38Å; D372-K375 PolarHBondContact O-N 2.99Å; H373-K375 PolarHBondContact O-N 3.38Å; K375-Q378 PolarHBondContact O-N 3.39Å; K375-R379 WeakPolarHBondContact O-CG 3.32Å; K375-R379 PolarHBondContact O-N 3.25Å |
| 376 | S | 90.5 | Very high | 85.4 | Confident | 49 Ų | 49 | 77.3 Ų | 77.3 | 34% | 0.343 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 177.1 | -159.9 | 0 | 0 | 0 | 0 | 111.8 | D372 H373 L374 R379 | D372-S376 WeakPolarHBondContact O-CB 3.42Å; D372-S376 PolarHBondContact O-N 2.91Å; H373-S376 PolarHBondContact O-N 3.26Å; L374-S376 VanDerWaalsContact C-N 3.31Å; L374-S376 PolarHBondContact O-N 3.16Å; S376-R379 PolarHBondContact O-N 2.75Å; S376-R379 PolarHBondContact OG-NH2 3.15Å |
| 377 | H | 91.4 | Very high | 83.6 | Confident | 40 Ų | 40 | 74.8 Ų | 74.8 | 19% | 0.185 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 175.3 | 170.4 | 82.4 | 0 | 0 | 0 | 112.4 | C364 F368 H373 L374 R379 K380 H381 | C364-H377 PolarHBondContact SG-NE2 3.26Å; F368-H377 HydrophobicContact CE1-CB 4.06Å; F368-H377 HydrophobicContact CE2-CB 3.99Å; F368-H377 AromaticContact CE2-CD2 3.65Å; F368-H377 AromaticContact CE2-CG 3.8Å; F368-H377 HydrophobicContact CZ-CB 3.41Å; F368-H377 VanDerWaalsContact CZ-CB 3.41Å; F368-H377 AromaticContact CZ-CD2 3.62Å; F368-H377 AromaticContact CZ-CG 3.29Å; F368-H377 AromaticContact CZ-ND1 3.69Å; H373-H377 VanDerWaalsContact O-CB 3.31Å; H373-H377 WeakPolarHBondContact O-CB 3.26Å; H373-H377 PolarHBondContact O-N 2.73Å; L374-H377 WeakPolarHBondContact O-CB 3.5Å; L374-H377 PolarHBondContact O-N 3.2Å; H377-R379 PolarHBondContact O-N 3.41Å; H377-K380 VanDerWaalsContact O-CB 3.31Å; H377-K380 WeakPolarHBondContact O-CB 3.36Å; H377-K380 PolarHBondContact O-N 2.8Å; H377-H381 AromaticContact CD2-CD2 3.94Å; H377-H381 AromaticContact CD2-NE2 3.67Å; H377-H381 AromaticContact CE1-NE2 3.43Å; H377-H381 PolarHBondContact CE1-NE2 3.08Å; H377-H381 AromaticContact NE2-CD2 3.62Å; H377-H381 AromaticContact NE2-CE1 3.96Å; H377-H381 AromaticContact NE2-NE2 2.9Å; H377-H381 PolarHBondContact NE2-NE2 3.35Å |
| 378 | Q | 90.1 | Very high | 81.8 | Confident | 70 Ų | 70 | 80.1 Ų | 80.1 | 33% | 0.327 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.7 | -33 | 176.8 | -77.4 | 174.7 | -31.3 | 0 | 0 | 113 | L374 K375 K380 H381 V382 | L374-Q378 HydrophobicContact CD1-CG 3.94Å; L374-Q378 HydrophobicContact CG-CG 4.36Å; L374-Q378 WeakPolarHBondContact O-CB 3.49Å; L374-Q378 WeakPolarHBondContact O-CG 3.21Å; L374-Q378 PolarHBondContact O-N 3.1Å; K375-Q378 PolarHBondContact O-N 3.39Å; Q378-K380 PolarHBondContact O-N 2.83Å; Q378-H381 PolarHBondContact O-N 2.81Å; Q378-V382 PolarHBondContact O-N 3.36Å |
| 379 | R | 89.7 | Confident | 79.9 | Confident | 168 Ų | 168 | 89.3 Ų | 89.3 | 63% | 0.634 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.1 | -28.9 | 175 | -71.1 | -177.1 | -66.2 | 163.6 | 1.3 | 112.9 | K375 S376 H377 V382 T383 | K375-R379 WeakPolarHBondContact O-CG 3.32Å; K375-R379 PolarHBondContact O-N 3.25Å; S376-R379 PolarHBondContact O-N 2.75Å; S376-R379 PolarHBondContact OG-NH2 3.15Å; H377-R379 PolarHBondContact O-N 3.41Å; R379-V382 PolarHBondContact O-N 3.48Å; R379-T383 PolarHBondContact O-N 3.1Å; R379-T383 VanDerWaalsContact O-N 3.11Å; R379-T383 PolarHBondContact O-OG1 2.95Å |
| 380 | K | 88 | Confident | 77.9 | Confident | 132 Ų | 132 | 91.1 Ų | 91.1 | 57% | 0.574 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.2 | -41.9 | 176.1 | -59 | -174.1 | 176.5 | -172 | 0 | 111.4 | H377 Q378 V382 T383 D384 | H377-K380 VanDerWaalsContact O-CB 3.31Å; H377-K380 WeakPolarHBondContact O-CB 3.36Å; H377-K380 PolarHBondContact O-N 2.8Å; Q378-K380 PolarHBondContact O-N 2.83Å; K380-V382 VanDerWaalsContact C-N 3.26Å; K380-V382 PolarHBondContact O-N 2.98Å; K380-T383 WeakPolarHBondContact CA-OG1 3.47Å; K380-T383 PolarHBondContact O-N 2.94Å; K380-T383 VanDerWaalsContact O-N 3.13Å; K380-T383 PolarHBondContact O-OG1 3.39Å; K380-D384 PolarHBondContact O-N 3.46Å |
| 381 | H | 84.9 | Confident | 75.4 | Confident | 32 Ų | 32 | 98.4 Ų | 98.4 | 15% | 0.148 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -59.9 | -38 | 174 | -67.4 | -62.4 | 0 | 0 | 0 | 112.5 | I363 C364 H377 Q378 D384 L385 | I363-H381 HydrophobicContact CD1-CB 3.53Å; I363-H381 HydrophobicContact CG2-CB 4.35Å; C364-H381 PolarHBondContact SG-NE2 3.42Å; C364-H381 VanDerWaalsContact SG-NE2 3.43Å; H377-H381 AromaticContact CD2-CD2 3.94Å; H377-H381 AromaticContact CD2-NE2 3.67Å; H377-H381 AromaticContact CE1-NE2 3.43Å; H377-H381 PolarHBondContact CE1-NE2 3.08Å; H377-H381 AromaticContact NE2-CD2 3.62Å; H377-H381 AromaticContact NE2-CE1 3.96Å; H377-H381 AromaticContact NE2-NE2 2.9Å; H377-H381 PolarHBondContact NE2-NE2 3.35Å; Q378-H381 PolarHBondContact O-N 2.81Å; H381-D384 PolarHBondContact O-N 3.39Å; H381-L385 WeakPolarHBondContact O-CB 3.48Å; H381-L385 WeakPolarHBondContact O-CD1 3.3Å; H381-L385 WeakPolarHBondContact O-CG 3.46Å; H381-L385 PolarHBondContact O-N 3.38Å |
| 382 | V | 78.9 | Confident | 74.6 | Confident | 82 Ų | 82 | 99.5 Ų | 99.5 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -38.8 | 177.1 | 179.9 | 0 | 0 | 0 | 0 | 111.5 | Q378 R379 K380 L386 | Q378-V382 PolarHBondContact O-N 3.36Å; R379-V382 PolarHBondContact O-N 3.48Å; K380-V382 VanDerWaalsContact C-N 3.26Å; K380-V382 PolarHBondContact O-N 2.98Å; V382-L386 HydrophobicContact CG1-CD1 4.1Å; V382-L386 WeakPolarHBondContact O-CG 3.14Å; V382-L386 PolarHBondContact O-N 3.23Å |
| 383 | T | 74.1 | Confident | 73.8 | Confident | 87 Ų | 87 | 100.9 Ų | 100.9 | 53% | 0.534 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 176 | 50.1 | 0 | 0 | 0 | 0 | 112 | R379 K380 L386 G387 | R379-T383 PolarHBondContact O-N 3.1Å; R379-T383 VanDerWaalsContact O-N 3.11Å; R379-T383 PolarHBondContact O-OG1 2.95Å; K380-T383 WeakPolarHBondContact CA-OG1 3.47Å; K380-T383 PolarHBondContact O-N 2.94Å; K380-T383 VanDerWaalsContact O-N 3.13Å; K380-T383 PolarHBondContact O-OG1 3.39Å; T383-L386 PolarHBondContact O-N 3.08Å; T383-G387 PolarHBondContact O-N 3.15Å |
| 384 | D | 67.4 | Low | 72.8 | Confident | 91 Ų | 91 | 101.8 Ų | 101.8 | 49% | 0.487 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -71.1 | -35.8 | -178.8 | -59.4 | -17.5 | 0 | 0 | 0 | 111.5 | K380 H381 L386 N388 | K380-D384 PolarHBondContact O-N 3.46Å; H381-D384 PolarHBondContact O-N 3.39Å; D384-L386 VanDerWaalsContact C-N 3.35Å; D384-L386 PolarHBondContact O-N 2.9Å; D384-N388 PolarHBondContact O-N 3.27Å; D384-N388 PolarHBondContact O-ND2 2.91Å |
| 385 | L | 63.4 | Low | 71.6 | Confident | 117 Ų | 117 | 107 Ų | 107 | 61% | 0.613 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.1 | -28 | 175.3 | -70.9 | 171.3 | 0 | 0 | 0 | 113.6 | H381 | H381-L385 WeakPolarHBondContact O-CB 3.48Å; H381-L385 WeakPolarHBondContact O-CD1 3.3Å; H381-L385 WeakPolarHBondContact O-CG 3.46Å; H381-L385 PolarHBondContact O-N 3.38Å |
| 386 | L | 62.7 | Low | 70.3 | Confident | 112 Ų | 112 | 106.1 Ų | 106.1 | 59% | 0.586 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -89 | -31.4 | 177.2 | -66.6 | 174.7 | 0 | 0 | 0 | 112.3 | V382 T383 D384 | V382-L386 HydrophobicContact CG1-CD1 4.1Å; V382-L386 WeakPolarHBondContact O-CG 3.14Å; V382-L386 PolarHBondContact O-N 3.23Å; T383-L386 PolarHBondContact O-N 3.08Å; D384-L386 VanDerWaalsContact C-N 3.35Å; D384-L386 PolarHBondContact O-N 2.9Å |
| 387 | G | 53.6 | Low | 69 | Low | 43 Ų | 43 | 109.9 Ų | 109.9 | 44% | 0.443 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.2 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T383 R389 S390 | T383-G387 PolarHBondContact O-N 3.15Å; G387-R389 PolarHBondContact O-N 2.73Å; G387-S390 PolarHBondContact O-N 3.21Å |
| 388 | N | 52.9 | Low | 67.4 | Low | 135 Ų | 135 | 114.9 Ų | 114.9 | 72% | 0.722 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 2 | -179.8 | -74.1 | -16.4 | 0 | 0 | 0 | 115 | D384 | D384-N388 PolarHBondContact O-N 3.27Å; D384-N388 PolarHBondContact O-ND2 2.91Å |
| 389 | R | 52.2 | Low | 65.7 | Low | 217 Ų | 217 | 118.3 Ų | 118.3 | 82% | 0.819 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 4 | 172 | -74.3 | -172.8 | 178.5 | -167.4 | -1.1 | 113.8 | G387 | G387-R389 PolarHBondContact O-N 2.73Š|
| 390 | S | 48.3 | Very low | 63.7 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | trans | -114.2 | 8.1 | -173 | -46 | 0 | 0 | 0 | 0 | 114.5 | G387 | G387-S390 PolarHBondContact O-N 3.21Š| ||
| 391 | N | 37.6 | Very low | 61.4 | Low | 225 Ų | 225 | 112.5 Ų | 112.5 | 100% | 1.203 | 61% | 0.612 | S | S | * | * | trans | -115 | 0 | 176.1 | -89.3 | -10.2 | 0 | 0 | 0 | 111.5 |
Retrieved 391 of 391 residues in 275.5 ms
(Link to these results)