| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 35.7 | Very low | 34.5 | Very low | 233 Ų | 233 | 159.2 Ų | 159.2 | 100% | 1.148 | 80% | 0.797 | S | S | * | * | 0 | 112.1 | 0 | -75.4 | 171.4 | 173.1 | 0 | 0 | 106.1 | |||||
| 2 | E | 36.7 | Very low | 34.3 | Very low | 161 Ų | 161 | 156.8 Ų | 156.8 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | cis | -172.3 | 128.8 | -0.5 | -120 | 165.8 | 173.6 | 0 | 0 | 100.9 | ||||
| 3 | E | 37.7 | Very low | 33.9 | Very low | 155 Ų | 155 | 151.2 Ų | 151.2 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | 62.9 | 138.7 | 109.7 | -70.9 | -161.8 | 161 | 0 | 0 | 114 | |||||
| 4 | N | 33.8 | Very low | 33.7 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 65% | 0.652 | 80% | 0.798 | S | S | * | * | cis | -173.4 | 144.5 | 2.7 | -103.6 | -29.3 | 0 | 0 | 0 | 104.4 | ||||
| 5 | E | 40.2 | Very low | 33.7 | Very low | 203 Ų | 203 | 153.5 Ų | 153.5 | 95% | 0.949 | 81% | 0.806 | S | S | * | * | trans | -157.9 | 105.3 | 139.2 | -116.6 | -174.1 | -171.4 | 0 | 0 | 109.2 | ||||
| 6 | E | 35.3 | Very low | 33.5 | Very low | 170 Ų | 170 | 154.5 Ų | 154.5 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -101.4 | 130.6 | 176.9 | -99.5 | -152.1 | 138.3 | 0 | 0 | 111.2 | ||||
| 7 | V | 35.8 | Very low | 33.4 | Very low | 92 Ų | 92 | 155.1 Ų | 155.1 | 56% | 0.558 | 80% | 0.8 | S | S | * | * | 71 | 125.6 | 124.5 | -162.8 | 0 | 0 | 0 | 0 | 119 | |||||
| 8 | H | 32.4 | Very low | 33.2 | Very low | 185 Ų | 185 | 157 Ų | 157 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | 158.8 | 133.3 | 114.2 | -85.5 | 81.3 | 0 | 0 | 0 | 109 | |||||
| 9 | G | 29.2 | Very low | 33 | Very low | 65 Ų | 65 | 156.7 Ų | 156.7 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | cis | 171.7 | 157.4 | -0.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 10 | R | 31.3 | Very low | 32.8 | Very low | 243 Ų | 243 | 160.9 Ų | 160.9 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | 54.2 | 127.9 | 139.2 | -83.3 | -179.8 | 177 | 175.7 | 1.4 | 119.2 | ||||
| 11 | T | 31.3 | Very low | 32.6 | Very low | 122 Ų | 122 | 164.3 Ų | 164.3 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | -177.9 | 126.8 | 61.7 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 12 | V | 31.8 | Very low | 32.3 | Very low | 131 Ų | 131 | 161.1 Ų | 161.1 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 38.4 | 128.6 | 132 | -167.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 13 | G | 30.2 | Very low | 31.8 | Very low | 83 Ų | 83 | 158.4 Ų | 158.4 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -156.8 | 113.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 14 | N | 30.9 | Very low | 31.4 | Very low | 140 Ų | 140 | 155.8 Ų | 155.8 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -110.7 | 139.5 | -166.6 | -156.8 | 4.2 | 0 | 0 | 0 | 109.5 | ||||
| 15 | Q | 32.6 | Very low | 31.2 | Very low | 197 Ų | 197 | 161.7 Ų | 161.7 | 92% | 0.921 | 81% | 0.806 | S | S | * | * | trans | -148 | 108.4 | 161.3 | -122.2 | 176.7 | 11 | 0 | 0 | 113.5 | ||||
| 16 | K | 31.6 | Very low | 30.5 | Very low | 170 Ų | 170 | 158.1 Ų | 158.1 | 74% | 0.739 | 80% | 0.798 | S | S | * | * | trans | -56.2 | 163.1 | 153.3 | -75.2 | 174.9 | 174.4 | 175.1 | 0 | 109.5 | ||||
| 17 | Q | 31.7 | Very low | 30.1 | Very low | 165 Ų | 165 | 155.4 Ų | 155.4 | 77% | 0.771 | 80% | 0.798 | S | S | * | * | cis | 178.3 | 148.4 | 25.6 | -130.3 | 171.2 | 2.5 | 0 | 0 | 106.9 | ||||
| 18 | K | 29.3 | Very low | 29.7 | Very low | 189 Ų | 189 | 156.9 Ų | 156.9 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | 176.2 | 118.8 | 116 | -115.7 | 172.8 | 175.8 | 169.1 | 0 | 113.5 | |||||
| 19 | L | 29.5 | Very low | 29.4 | Very low | 151 Ų | 151 | 154.1 Ų | 154.1 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -72.3 | 150.2 | 157.6 | -83.2 | 89.8 | 0 | 0 | 0 | 110.7 | ||||
| 20 | R | 29.5 | Very low | 29.3 | Very low | 240 Ų | 240 | 156.6 Ų | 156.6 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -138.9 | 127 | 143.2 | -95.5 | -173.6 | 171.7 | 176.2 | -3.2 | 110.8 | ||||
| 21 | R | 28.4 | Very low | 29.1 | Very low | 233 Ų | 233 | 151 Ų | 151 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -124.1 | 129 | 177.2 | -164.4 | -177.2 | -172.4 | 172.7 | 3 | 104.6 | ||||
| 22 | I | 28.5 | Very low | 29 | Very low | 166 Ų | 166 | 152.7 Ų | 152.7 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -136.4 | 136.7 | 164.7 | -62.7 | -177.4 | 0 | 0 | 0 | 108.7 | ||||
| 23 | S | 27.7 | Very low | 28.7 | Very low | 105 Ų | 105 | 151.3 Ų | 151.3 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -103.1 | 166.2 | -170.1 | -166.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 24 | S | 28.9 | Very low | 28.5 | Very low | 99 Ų | 99 | 151.9 Ų | 151.9 | 69% | 0.692 | 80% | 0.799 | S | S | * | * | trans | -46.5 | 153.6 | 174.3 | 55.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 25 | R | 28.2 | Very low | 28.3 | Very low | 247 Ų | 247 | 150.1 Ų | 150.1 | 93% | 0.932 | 80% | 0.804 | S | S | * | * | -174.8 | 147.9 | 119.5 | -113 | 176.3 | 165.5 | -178.5 | -5.6 | 115.3 | |||||
| 26 | T | 27.1 | Very low | 28 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -81.7 | 156.5 | 173.5 | 32.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 27 | S | 27.1 | Very low | 28.1 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -171.2 | 107.8 | 155.7 | -67.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 28 | T | 26.2 | Very low | 27.8 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 76% | 0.761 | 80% | 0.8 | S | S | * | * | 65.3 | 120.5 | 87.8 | 54.8 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 29 | T | 26.6 | Very low | 27.7 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | 84.5 | 120.8 | 136.9 | 42.9 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 30 | S | 27.8 | Very low | 28 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 176.8 | 110 | 132.2 | 34.2 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 31 | V | 27.1 | Very low | 27.8 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | 66.5 | 134.5 | 62.6 | -161.7 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 32 | I | 28.7 | Very low | 27.8 | Very low | 156 Ų | 156 | 137 Ų | 137 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | 106.8 | 126.5 | 165.1 | -56.1 | 170.4 | 0 | 0 | 0 | 112.9 | ||||
| 33 | S | 26.2 | Very low | 27.7 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | cis | -165.3 | 137.6 | -5.1 | -108.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 34 | A | 26 | Very low | 27.6 | Very low | 95 Ų | 95 | 142.9 Ų | 142.9 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | 70.7 | 116.2 | 111 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 35 | A | 26.2 | Very low | 27.4 | Very low | 102 Ų | 102 | 148.2 Ų | 148.2 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | 173.8 | 114.4 | 122.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 36 | E | 25.4 | Very low | 27.3 | Very low | 184 Ų | 184 | 144 Ų | 144 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | -75.7 | 165.7 | 150.1 | -92.1 | -166.9 | 176.4 | 0 | 0 | 109 | ||||
| 37 | P | 34.3 | Very low | 27.6 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | cis | -152.5 | -177.6 | 39.2 | 39.7 | -16.5 | 0 | 0 | 0 | 118.5 | ||||
| 38 | S | 25.2 | Very low | 27.7 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | 91.5 | 120.7 | 145.4 | 74.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 39 | S | 28.1 | Very low | 28.2 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -61 | 164.5 | 165 | -25.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 40 | P | 34.2 | Very low | 28.4 | Very low | 110 Ų | 110 | 149.9 Ų | 149.9 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | -160 | -176.9 | 62.9 | 44.3 | -22.1 | 0 | 0 | 0 | 118 | |||||
| 41 | K | 25.3 | Very low | 28.5 | Very low | 192 Ų | 192 | 150.1 Ų | 150.1 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 89.2 | 103.4 | 152.8 | -70.7 | 171.9 | -174 | 177.4 | 0 | 119.7 | ||||
| 42 | R | 28.9 | Very low | 28.5 | Very low | 251 Ų | 251 | 149.4 Ų | 149.4 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -36.5 | 132.5 | 146.7 | -86.5 | 177.4 | 165.5 | -145.6 | -2.2 | 112.7 | ||||
| 43 | L | 26.8 | Very low | 28.5 | Very low | 167 Ų | 167 | 150 Ų | 150 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -130.7 | 142.6 | 153.9 | -99.6 | 157.5 | 0 | 0 | 0 | 111.5 | ||||
| 44 | R | 24.7 | Very low | 28.7 | Very low | 227 Ų | 227 | 154.3 Ų | 154.3 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -46 | 133.2 | -167.8 | -77.5 | 165.9 | 148.6 | -171.6 | -7.2 | 116.8 | ||
| 45 | R | 25.3 | Very low | 28.9 | Very low | 211 Ų | 211 | 159.3 Ų | 159.3 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 116.2 | 159.9 | 175.7 | 177.8 | 165.1 | 171.7 | -1.8 | 110.2 | N47 | R45-N47 PolarHBondContact NE-OD1 3.07Š|
| 46 | N | 26.4 | Very low | 28.9 | Very low | 158 Ų | 158 | 157.5 Ų | 157.5 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -97.2 | 116.2 | 162.3 | -90.8 | -6.5 | 0 | 0 | 0 | 109.2 | ||
| 47 | N | 32.5 | Very low | 29.2 | Very low | 124 Ų | 124 | 154.3 Ų | 154.3 | 66% | 0.663 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 118.2 | 168.9 | -85.1 | -15.7 | 0 | 0 | 0 | 108.9 | R45 | R45-N47 PolarHBondContact NE-OD1 3.07Š|
| 48 | S | 30.2 | Very low | 29.2 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | -125.3 | 106.4 | 154.1 | 57.5 | 0 | 0 | 0 | 0 | 108.4 | K50 | S48-K50 PolarHBondContact O-N 3.17Š| ||
| 49 | K | 35.8 | Very low | 29.6 | Very low | 207 Ų | 207 | 151.1 Ų | 151.1 | 90% | 0.9 | 77% | 0.768 | S | S | * | * | trans | -64.8 | 112.7 | 172.1 | -71 | 176.7 | 174.8 | 179.3 | 0 | 108.4 | ||||
| 50 | K | 31.6 | Very low | 30 | Very low | 176 Ų | 176 | 149.4 Ų | 149.4 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 140.1 | 160.1 | -81.7 | -173.9 | 175.1 | -175.4 | 0 | 108.8 | S48 | S48-K50 PolarHBondContact O-N 3.17Š|
| 51 | P | 29.4 | Very low | 29.9 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 146.2 | 179 | 29.9 | -31.4 | 0 | 0 | 0 | 110.9 | L53 | P51-L53 PolarHBondContact O-N 3.02Š|
| 52 | S | 27.2 | Very low | 30.3 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 126.3 | 176 | 51.7 | 0 | 0 | 0 | 0 | 111.2 | Q54 | S52-Q54 PolarHBondContact O-N 2.95Š|
| 53 | L | 29.3 | Very low | 30.4 | Very low | 167 Ų | 167 | 137 Ų | 137 | 87% | 0.874 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -62 | 126.2 | 170.3 | -71.7 | 163.5 | 0 | 0 | 0 | 109.7 | P51 | P51-L53 PolarHBondContact O-N 3.02Š|
| 54 | Q | 29.3 | Very low | 30.9 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 91% | 0.907 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 127.4 | 174.8 | -75.1 | -165.6 | -30.4 | 0 | 0 | 110.2 | S52 | S52-Q54 PolarHBondContact O-N 2.95Š|
| 55 | R | 30.2 | Very low | 31 | Very low | 201 Ų | 201 | 127.7 Ų | 127.7 | 76% | 0.758 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 126.4 | 174.9 | -179.8 | 177.7 | -82 | -139.6 | -2.9 | 109.8 | ||
| 56 | G | 27.8 | Very low | 31.2 | Very low | 64 Ų | 64 | 123.9 Ų | 123.9 | 66% | 0.66 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 139.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S58 | G56-S58 PolarHBondContact O-N 3.42Š|
| 57 | S | 30.8 | Very low | 31.4 | Very low | 116 Ų | 116 | 121.9 Ų | 121.9 | 81% | 0.811 | 70% | 0.696 | S | S | * | * | trans | -52.8 | 114.8 | -171.3 | 177.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 58 | S | 33.9 | Very low | 31.3 | Very low | 53 Ų | 53 | 126.7 Ų | 126.7 | 37% | 0.371 | 71% | 0.705 | S | S | . | * | trans | -124 | 130.1 | 140.6 | 170.3 | 0 | 0 | 0 | 0 | 106.6 | G56 T60 | G56-S58 PolarHBondContact O-N 3.42Å; S58-T60 VanDerWaalsContact C-N 3.34Å; S58-T60 PolarHBondContact O-N 2.98Å | ||
| 59 | F | 33.9 | Very low | 31.1 | Very low | 104 Ų | 104 | 128.3 Ų | 128.3 | 46% | 0.456 | 71% | 0.705 | S | S | . | * | trans | -78.8 | 82.7 | -172.8 | -168.7 | -88.6 | 0 | 0 | 0 | 110 | F61 | F59-F61 HydrophobicContact CE1-CD1 4.29Å; F59-F61 HydrophobicContact CE1-CD2 4.46Å; F59-F61 HydrophobicContact CE1-CE1 4Å; F59-F61 HydrophobicContact CE1-CE2 4.24Å; F59-F61 HydrophobicContact CE1-CZ 4.08Å; F59-F61 HydrophobicContact CZ-CE1 4.41Å | ||
| 60 | T | 35.8 | Very low | 30.8 | Very low | 74 Ų | 74 | 125.7 Ų | 125.7 | 45% | 0.454 | 69% | 0.694 | S | S | . | * | trans | -90.4 | 133.9 | 167.1 | 55 | 0 | 0 | 0 | 0 | 109.4 | S58 L62 | S58-T60 VanDerWaalsContact C-N 3.34Å; S58-T60 PolarHBondContact O-N 2.98Å; T60-L62 PolarHBondContact O-N 3.43Å | ||
| 61 | F | 33.8 | Very low | 30.7 | Very low | 53 Ų | 53 | 122.7 Ų | 122.7 | 23% | 0.232 | 70% | 0.695 | C | S | . | * | S | Bend | trans | -66.2 | -22.8 | -175.6 | -92.7 | -72.3 | 0 | 0 | 0 | 114.5 | F59 R308 V312 N350 | F59-F61 HydrophobicContact CE1-CD1 4.29Å; F59-F61 HydrophobicContact CE1-CD2 4.46Å; F59-F61 HydrophobicContact CE1-CE1 4Å; F59-F61 HydrophobicContact CE1-CE2 4.24Å; F59-F61 HydrophobicContact CE1-CZ 4.08Å; F59-F61 HydrophobicContact CZ-CE1 4.41Å; F61-R308 HydrophobicContact CE2-CG 3.67Å; F61-R308 HydrophobicContact CZ-CG 3.43Å; F61-R308 VanDerWaalsContact CZ-CG 3.43Å; F61-V312 HydrophobicContact CD1-CG1 3.56Å; F61-V312 HydrophobicContact CE1-CB 4.09Å; F61-V312 HydrophobicContact CE1-CG1 3.08Å; F61-V312 HydrophobicContact CE1-CG2 4.07Å; F61-V312 HydrophobicContact CZ-CG1 3.65Å; F61-N350 HydrophobicContact CB-CB 4.42Å; F61-N350 WeakPolarHBondContact CB-OD1 3.49Å; F61-N350 PolarHBondContact N-OD1 3.36Å |
| 62 | L | 31.9 | Very low | 30.7 | Very low | 134 Ų | 134 | 123.7 Ų | 123.7 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | trans | -150.6 | 135.1 | 177.2 | -66.4 | 171.9 | 0 | 0 | 0 | 109.4 | T60 | T60-L62 PolarHBondContact O-N 3.43Š| ||
| 63 | T | 32.1 | Very low | 30.8 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | trans | -89.9 | 131.3 | 162.2 | 22.4 | 0 | 0 | 0 | 0 | 108 | G65 | T63-G65 PolarHBondContact O-N 2.87Š| ||
| 64 | P | 37.1 | Very low | 30.8 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 88% | 0.877 | 70% | 0.701 | S | S | * | * | trans | -81.7 | 112.6 | 177.3 | 29.5 | -27.9 | 0 | 0 | 0 | 109.7 | ||||
| 65 | G | 27.3 | Very low | 30.6 | Very low | 63 Ų | 63 | 132.7 Ų | 132.7 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | trans | -172.2 | 104 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T63 | T63-G65 PolarHBondContact O-N 2.87Š| ||
| 66 | T | 29.1 | Very low | 30.8 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 80% | 0.804 | 70% | 0.704 | S | S | * | * | trans | 69.3 | 138.7 | 167.5 | 36.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 67 | P | 30.1 | Very low | 30.6 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 76% | 0.76 | 72% | 0.716 | S | S | * | * | trans | -70.9 | 137.1 | 179.7 | 31.7 | -33.8 | 0 | 0 | 0 | 110 | D69 | P67-D69 PolarHBondContact O-N 3.26Å; P67-D69 VanDerWaalsContact O-N 3.08Å | ||
| 68 | W | 31.4 | Very low | 30.5 | Very low | 225 Ų | 225 | 142.5 Ų | 142.5 | 85% | 0.852 | 71% | 0.713 | S | S | * | * | trans | -66 | 103.9 | -177.9 | -58.5 | 93.1 | 0 | 0 | 0 | 110.9 | F70 | W68-F70 HydrophobicContact CD2-CE2 4.44Å; W68-F70 AromaticContact CE3-CE2 3.52Å; W68-F70 HydrophobicContact CE3-CE2 3.52Å; W68-F70 AromaticContact CE3-CZ 3.86Å; W68-F70 HydrophobicContact CE3-CZ 3.86Å; W68-F70 HydrophobicContact CZ3-CE2 4.14Å; W68-F70 HydrophobicContact CZ3-CZ 4.06Å | ||
| 69 | D | 24.8 | Very low | 30.2 | Very low | 139 Ų | 139 | 149 Ų | 149 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | trans | -109.1 | 110.2 | 163.7 | -173.5 | 5.6 | 0 | 0 | 0 | 109.2 | P67 S71 | P67-D69 PolarHBondContact O-N 3.26Å; P67-D69 VanDerWaalsContact O-N 3.08Å; D69-S71 PolarHBondContact OD1-N 3.09Å | ||
| 70 | F | 29.4 | Very low | 29.9 | Very low | 153 Ų | 153 | 152 Ų | 152 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | trans | -106 | 70.8 | 173 | -77 | -74.1 | 0 | 0 | 0 | 110.6 | W68 L72 | W68-F70 HydrophobicContact CD2-CE2 4.44Å; W68-F70 AromaticContact CE3-CE2 3.52Å; W68-F70 HydrophobicContact CE3-CE2 3.52Å; W68-F70 AromaticContact CE3-CZ 3.86Å; W68-F70 HydrophobicContact CE3-CZ 3.86Å; W68-F70 HydrophobicContact CZ3-CE2 4.14Å; W68-F70 HydrophobicContact CZ3-CZ 4.06Å; F70-L72 HydrophobicContact CD1-CD1 4.25Å; F70-L72 PolarHBondContact O-N 3.1Å | ||
| 71 | S | 29.8 | Very low | 29.6 | Very low | 112 Ų | 112 | 155.4 Ų | 155.4 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | -81 | 86.4 | 158.7 | -145.8 | 0 | 0 | 0 | 0 | 109.8 | D69 | D69-S71 PolarHBondContact OD1-N 3.09Š| ||
| 72 | L | 29.2 | Very low | 29.5 | Very low | 145 Ų | 145 | 160 Ų | 160 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -94.9 | 112.3 | 172.4 | -78.3 | 168.6 | 0 | 0 | 0 | 110.6 | F70 R74 | F70-L72 HydrophobicContact CD1-CD1 4.25Å; F70-L72 PolarHBondContact O-N 3.1Å; L72-R74 PolarHBondContact O-N 3.37Å; L72-R74 VanDerWaalsContact O-N 3.11Å | ||
| 73 | K | 29.1 | Very low | 29.7 | Very low | 214 Ų | 214 | 159.8 Ų | 159.8 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | trans | -56.9 | 111.9 | 165.7 | -98.5 | 176.3 | 174.3 | 175.6 | 0 | 109.7 | K75 | K73-K75 PolarHBondContact O-N 3.12Š| ||
| 74 | R | 30.2 | Very low | 29.6 | Very low | 237 Ų | 237 | 160.6 Ų | 160.6 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -62.9 | 120.8 | 179.4 | -145.8 | -179.7 | -70.9 | 167 | -4.2 | 110.6 | L72 | L72-R74 PolarHBondContact O-N 3.37Å; L72-R74 VanDerWaalsContact O-N 3.11Å | ||
| 75 | K | 25.8 | Very low | 29.5 | Very low | 211 Ų | 211 | 156.9 Ų | 156.9 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | trans | -108.5 | 107.2 | 153.3 | -162.3 | 173.5 | -175.3 | 176.5 | 0 | 107.7 | K73 | K73-K75 PolarHBondContact O-N 3.12Š| ||
| 76 | R | 32.7 | Very low | 30 | Very low | 214 Ų | 214 | 157 Ų | 157 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | trans | -65.2 | 126.4 | -174.2 | -148.2 | 178.9 | -173 | 178.9 | 0.6 | 110.3 | ||||
| 77 | K | 24.9 | Very low | 30.2 | Very low | 210 Ų | 210 | 154.8 Ų | 154.8 | 91% | 0.913 | 76% | 0.755 | S | S | * | * | trans | -151.8 | 125 | 153.2 | -155 | 176.1 | -179 | -175.6 | 0 | 108.7 | ||||
| 78 | E | 27.3 | Very low | 30.3 | Very low | 162 Ų | 162 | 153.8 Ų | 153.8 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | -80.4 | 157.9 | -174.2 | -74.6 | 174.6 | 148.5 | 0 | 0 | 113.9 | ||||
| 79 | K | 29.6 | Very low | 30.2 | Very low | 190 Ų | 190 | 150.6 Ų | 150.6 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | trans | 70.1 | 137.1 | 167.8 | -80.3 | -175.9 | 166.9 | -168.7 | 0 | 116.8 | ||||
| 80 | E | 26.5 | Very low | 30.4 | Very low | 166 Ų | 166 | 151.3 Ų | 151.3 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | cis | -149.6 | 145.9 | 20.2 | -129.9 | 160.1 | -156.3 | 0 | 0 | 108.7 | ||||
| 81 | D | 30 | Very low | 30.4 | Very low | 146 Ų | 146 | 151.1 Ų | 151.1 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | -82.3 | 108.5 | -175.2 | -95.2 | -14.7 | 0 | 0 | 0 | 111.3 | ||||
| 82 | D | 30.4 | Very low | 30.3 | Very low | 150 Ų | 150 | 155 Ų | 155 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -97.2 | 117.8 | 160.4 | -81 | -32.8 | 0 | 0 | 0 | 109.3 | V84 | D82-V84 WeakPolarHBondContact O-CG2 3.43Å; D82-V84 PolarHBondContact O-N 2.78Å | ||
| 83 | T | 36.7 | Very low | 30.2 | Very low | 129 Ų | 129 | 156.1 Ų | 156.1 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | -63 | 99.5 | 172.8 | 41.5 | 0 | 0 | 0 | 0 | 110.4 | S85 | T83-S85 PolarHBondContact O-N 3.5Š| ||
| 84 | V | 30.1 | Very low | 30.1 | Very low | 123 Ų | 123 | 151.3 Ų | 151.3 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | trans | -78.9 | 107.5 | 173 | -142.8 | 0 | 0 | 0 | 0 | 108.2 | D82 L86 | D82-V84 WeakPolarHBondContact O-CG2 3.43Å; D82-V84 PolarHBondContact O-N 2.78Å; V84-L86 PolarHBondContact O-N 3.48Å | ||
| 85 | S | 34.7 | Very low | 29.9 | Very low | 58 Ų | 58 | 145.1 Ų | 145.1 | 41% | 0.406 | 74% | 0.74 | S | S | . | * | trans | -59.9 | 122.3 | 168.8 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | T83 S87 S88 | T83-S85 PolarHBondContact O-N 3.5Å; S85-S87 PolarHBondContact O-N 2.84Å; S85-S87 WeakPolarHBondContact OG-CB 3.48Å; S85-S87 PolarHBondContact OG-OG 3.28Å; S85-S88 PolarHBondContact O-N 3.29Å | ||
| 86 | L | 38.1 | Very low | 30 | Very low | 64 Ų | 64 | 142.8 Ų | 142.8 | 34% | 0.335 | 74% | 0.737 | S | S | . | * | G | 310 helix | trans | -67.8 | -2.1 | 179.2 | -61.8 | 175 | 0 | 0 | 0 | 112.7 | V84 S88 F89 | V84-L86 PolarHBondContact O-N 3.48Å; L86-S88 PolarHBondContact O-N 3.34Å; L86-F89 HydrophobicContact CD2-CD2 4.47Å; L86-F89 HydrophobicContact CD2-CE2 3.73Å |
| 87 | S | 33.4 | Very low | 29.9 | Very low | 86 Ų | 86 | 141.2 Ų | 141.2 | 60% | 0.601 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -66.7 | -14.8 | 173 | 65.2 | 0 | 0 | 0 | 0 | 114.4 | S85 | S85-S87 PolarHBondContact O-N 2.84Å; S85-S87 WeakPolarHBondContact OG-CB 3.48Å; S85-S87 PolarHBondContact OG-OG 3.28Å |
| 88 | S | 31.9 | Very low | 29.9 | Very low | 96 Ų | 96 | 143.4 Ų | 143.4 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -99.5 | 12.6 | -172.8 | -167.2 | 0 | 0 | 0 | 0 | 116.4 | S85 L86 D90 | S85-S88 PolarHBondContact O-N 3.29Å; L86-S88 PolarHBondContact O-N 3.34Å; S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 PolarHBondContact O-N 3.12Å |
| 89 | F | 28.8 | Very low | 29.9 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 69% | 0.693 | 74% | 0.743 | S | S | * | * | trans | -78.4 | 79.2 | 171.9 | -72.2 | -72.5 | 0 | 0 | 0 | 111.4 | L86 L91 | L86-F89 HydrophobicContact CD2-CD2 4.47Å; L86-F89 HydrophobicContact CD2-CE2 3.73Å; F89-L91 PolarHBondContact O-N 3.26Å | ||
| 90 | D | 30.2 | Very low | 29.7 | Very low | 154 Ų | 154 | 144.7 Ų | 144.7 | 82% | 0.824 | 75% | 0.747 | S | S | * | * | trans | -69 | 107.1 | 158 | -98.8 | -30.1 | 0 | 0 | 0 | 108.2 | S88 K92 | S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 PolarHBondContact O-N 3.12Å; D90-K92 PolarHBondContact O-N 3.14Å | ||
| 91 | L | 28.5 | Very low | 29.5 | Very low | 148 Ų | 148 | 142.2 Ų | 142.2 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | -69 | 82.9 | 164.9 | -79.7 | 164.7 | 0 | 0 | 0 | 108.3 | F89 E93 | F89-L91 PolarHBondContact O-N 3.26Å; L91-E93 PolarHBondContact O-N 2.76Å | ||
| 92 | K | 27.9 | Very low | 29.3 | Very low | 194 Ų | 194 | 143.8 Ų | 143.8 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -75.5 | 116.5 | 174.5 | -157.2 | 172.1 | -171.8 | 173.7 | 0 | 109.4 | D90 | D90-K92 PolarHBondContact O-N 3.14Š| ||
| 93 | E | 28.3 | Very low | 29.1 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -58.6 | 133.9 | 172.3 | -163.6 | 174.6 | -171.4 | 0 | 0 | 110.7 | L91 S95 | L91-E93 PolarHBondContact O-N 2.76Å; E93-S95 PolarHBondContact O-N 2.92Å | ||
| 94 | P | 25.2 | Very low | 28.6 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | trans | -75.6 | 112 | -177.7 | 27.3 | -29.8 | 0 | 0 | 0 | 111 | N96 | P94-N96 PolarHBondContact O-N 2.88Š| ||
| 95 | S | 27.8 | Very low | 28.4 | Very low | 106 Ų | 106 | 148.7 Ų | 148.7 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -72.8 | 118.3 | 171.2 | -174.5 | 0 | 0 | 0 | 0 | 111 | E93 K97 | E93-S95 PolarHBondContact O-N 2.92Å; S95-K97 PolarHBondContact O-N 3.05Å | ||
| 96 | N | 27.4 | Very low | 28 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -74.4 | 87.5 | 172 | -81.1 | -39.3 | 0 | 0 | 0 | 111.3 | P94 | P94-N96 PolarHBondContact O-N 2.88Š| ||
| 97 | K | 29.3 | Very low | 27.4 | Very low | 181 Ų | 181 | 154.2 Ų | 154.2 | 79% | 0.787 | 81% | 0.809 | S | S | * | * | trans | -136.3 | 109.3 | 158 | -73.5 | -170.5 | -179.3 | 175.9 | 0 | 111 | S95 V99 | S95-K97 PolarHBondContact O-N 3.05Å; K97-V99 PolarHBondContact O-N 3.45Å | ||
| 98 | R | 26.6 | Very low | 27 | Very low | 255 Ų | 255 | 155.1 Ų | 155.1 | 96% | 0.962 | 82% | 0.822 | S | S | * | * | trans | -57.4 | 114.4 | 171.5 | -171.3 | -177.6 | -160.7 | -178.8 | 6 | 110.1 | ||||
| 99 | V | 27 | Very low | 26.9 | Very low | 138 Ų | 138 | 157 Ų | 157 | 84% | 0.836 | 83% | 0.829 | S | S | * | * | trans | -134.6 | 129.6 | 164 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | K97 | K97-V99 PolarHBondContact O-N 3.45Š| ||
| 100 | R | 25.7 | Very low | 26.9 | Very low | 242 Ų | 242 | 161.1 Ų | 161.1 | 91% | 0.913 | 84% | 0.84 | S | S | * | * | trans | -70.1 | 139 | -174.2 | -145.1 | 176.2 | -155.9 | -176.6 | 4 | 110.7 | ||||
| 101 | S | 21 | Very low | 26.9 | Very low | 113 Ų | 113 | 164.9 Ų | 164.9 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | trans | -76.2 | 132.3 | 176.3 | 58.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 102 | L | 27.1 | Very low | 26.7 | Very low | 179 Ų | 179 | 168 Ų | 168 | 94% | 0.937 | 85% | 0.85 | S | S | * | * | trans | -134.3 | 151.1 | 159.8 | -92.9 | 161.5 | 0 | 0 | 0 | 110.3 | ||||
| 103 | A | 25.8 | Very low | 26.6 | Very low | 97 Ų | 97 | 162 Ų | 162 | 80% | 0.802 | 84% | 0.843 | S | S | * | * | trans | -82.4 | 165.2 | -147.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 104 | K | 26.7 | Very low | 26.8 | Very low | 198 Ų | 198 | 163.7 Ų | 163.7 | 86% | 0.861 | 85% | 0.851 | S | S | * | * | trans | -23.8 | 136.7 | 169.1 | -76.5 | 172.7 | 169.4 | 173.3 | 0 | 117.6 | ||||
| 105 | K | 25.5 | Very low | 26.9 | Very low | 210 Ų | 210 | 163.1 Ų | 163.1 | 91% | 0.913 | 85% | 0.85 | S | S | * | * | -158 | 139.3 | 127.9 | -116.6 | 177.7 | -179.2 | -179 | 0 | 112.3 | |||||
| 106 | N | 25.7 | Very low | 27.1 | Very low | 165 Ų | 165 | 165.9 Ų | 165.9 | 88% | 0.882 | 86% | 0.855 | S | S | * | * | trans | -67.8 | 154.7 | -179.1 | -57.5 | -24.7 | 0 | 0 | 0 | 112.4 | ||||
| 107 | G | 25.1 | Very low | 27.1 | Very low | 74 Ų | 74 | 166.6 Ų | 166.6 | 76% | 0.763 | 85% | 0.853 | S | S | * | * | trans | 149.1 | 111.2 | 151.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 108 | A | 26.1 | Very low | 27.2 | Very low | 105 Ų | 105 | 163 Ų | 163 | 87% | 0.868 | 85% | 0.85 | S | S | * | * | trans | 59.1 | 114.8 | 138.2 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 109 | V | 28.4 | Very low | 27.2 | Very low | 136 Ų | 136 | 159.3 Ų | 159.3 | 82% | 0.824 | 85% | 0.846 | S | S | * | * | trans | -40.6 | 135.1 | 149.2 | 174.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 110 | R | 29.3 | Very low | 27.3 | Very low | 243 Ų | 243 | 158.5 Ų | 158.5 | 92% | 0.917 | 85% | 0.847 | S | S | * | * | trans | -169.5 | 134.2 | 136 | -101.6 | 161.9 | -158.8 | -121.7 | 5.8 | 112.2 | ||||
| 111 | R | 30 | Very low | 27.6 | Very low | 233 Ų | 233 | 155 Ų | 155 | 88% | 0.879 | 85% | 0.845 | S | S | * | * | trans | -63.8 | 151.2 | 164 | -66.4 | 178.6 | -174.9 | 173.6 | 1.2 | 110.5 | ||||
| 112 | F | 24.7 | Very low | 28.2 | Very low | 214 Ų | 214 | 161 Ų | 161 | 94% | 0.939 | 85% | 0.85 | S | S | * | * | trans | 158.5 | 128.8 | 144.7 | -103.3 | -84.5 | 0 | 0 | 0 | 104.3 | ||||
| 113 | G | 26.1 | Very low | 28.2 | Very low | 68 Ų | 68 | 160.3 Ų | 160.3 | 70% | 0.701 | 85% | 0.848 | S | S | * | * | 130.4 | 124.2 | 52.6 | 0 | 0 | 0 | 0 | 0 | 104.8 | |||||
| 114 | Q | 32.1 | Very low | 28.5 | Very low | 204 Ų | 204 | 163.2 Ų | 163.2 | 95% | 0.953 | 85% | 0.85 | S | S | * | * | trans | -63.9 | 137.8 | 179.1 | -70.1 | 168.8 | -28.4 | 0 | 0 | 111 | ||||
| 115 | S | 27 | Very low | 28.6 | Very low | 101 Ų | 101 | 157.5 Ų | 157.5 | 71% | 0.706 | 85% | 0.847 | S | S | * | * | trans | 169.1 | 121.5 | 132.7 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 116 | I | 31.6 | Very low | 28.9 | Very low | 165 Ų | 165 | 157 Ų | 157 | 85% | 0.846 | 85% | 0.845 | S | S | * | * | trans | -142.2 | 109.2 | 136.2 | -64.8 | -165.5 | 0 | 0 | 0 | 106.8 | ||||
| 117 | Q | 28 | Very low | 29.1 | Very low | 178 Ų | 178 | 154.1 Ų | 154.1 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | trans | -76.2 | 137.1 | 157.3 | -69.6 | 175.2 | -13.4 | 0 | 0 | 108.3 | ||||
| 118 | S | 30.8 | Very low | 30 | Very low | 105 Ų | 105 | 156.6 Ų | 156.6 | 73% | 0.734 | 84% | 0.84 | S | S | * | * | trans | -118.1 | 109.3 | 166.1 | 58.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 119 | M | 27.1 | Very low | 30.2 | Very low | 178 Ų | 178 | 154.8 Ų | 154.8 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | -9.9 | 134.8 | 152.5 | 40.5 | -112.8 | -103.4 | 0 | 0 | 119.5 | ||||
| 120 | S | 30 | Very low | 30.2 | Very low | 121 Ų | 121 | 155 Ų | 155 | 85% | 0.846 | 83% | 0.833 | S | S | * | * | -155.5 | 164 | 126.7 | -160.6 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 121 | L | 32.4 | Very low | 30.7 | Very low | 168 Ų | 168 | 149.9 Ų | 149.9 | 88% | 0.88 | 83% | 0.829 | S | S | * | * | trans | -78 | 161.8 | -149.4 | -71.5 | 148.2 | 0 | 0 | 0 | 116.7 | ||||
| 122 | R | 32 | Very low | 31 | Very low | 238 Ų | 238 | 146.4 Ų | 146.4 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | -66 | 143.9 | 177.4 | -59.5 | 175.8 | 174 | -160.9 | -3 | 112.7 | ||||
| 123 | N | 28.4 | Very low | 31.3 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 88% | 0.882 | 82% | 0.824 | S | S | * | * | trans | -148.5 | 130.6 | 142.5 | -155.5 | 30.9 | 0 | 0 | 0 | 109.7 | ||||
| 124 | D | 31.2 | Very low | 31.6 | Very low | 159 Ų | 159 | 147.2 Ų | 147.2 | 85% | 0.85 | 83% | 0.83 | S | S | * | * | trans | -86.2 | 136.6 | -179.5 | -93.8 | -55.2 | 0 | 0 | 0 | 111.2 | ||||
| 125 | G | 30 | Very low | 31.6 | Very low | 77 Ų | 77 | 142.2 Ų | 142.2 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -163.3 | 123.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 126 | K | 30.8 | Very low | 32.1 | Very low | 201 Ų | 201 | 143.1 Ų | 143.1 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -92.7 | 127.6 | -162.6 | -143.4 | 171.3 | -176.9 | 174.5 | 0 | 112.4 | ||||
| 127 | S | 29.4 | Very low | 32.5 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 73% | 0.727 | 83% | 0.832 | S | S | * | * | trans | 69.9 | 166.7 | 151.8 | -54.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 128 | P | 43.8 | Very low | 33.2 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 81% | 0.812 | 83% | 0.827 | S | S | * | * | -133.6 | 165.4 | -60.5 | 38.1 | -22.4 | 0 | 0 | 0 | 112.9 | |||||
| 129 | G | 30.7 | Very low | 33.7 | Very low | 67 Ų | 67 | 141.7 Ų | 141.7 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | 104.9 | 103.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 130 | T | 28.8 | Very low | 34.5 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | 178.9 | 137.7 | 120.3 | 21.2 | 0 | 0 | 0 | 0 | 109.9 | L132 | T130-L132 PolarHBondContact O-N 3.45Š| |||
| 131 | T | 40.3 | Very low | 35.2 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | trans | -58.2 | 121.4 | 178.3 | 42.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 132 | L | 35 | Very low | 35.9 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | trans | -142.3 | 113.1 | 163 | -75.2 | 176.9 | 0 | 0 | 0 | 112.6 | T130 | T130-L132 PolarHBondContact O-N 3.45Š| ||
| 133 | K | 32.5 | Very low | 36.5 | Very low | 202 Ų | 202 | 128 Ų | 128 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | trans | 22.1 | 122.4 | 148.7 | -84.1 | 173 | 170.1 | 173.8 | 0 | 119.2 | A135 | K133-A135 PolarHBondContact O-N 3.08Š| ||
| 134 | A | 31 | Very low | 37.5 | Very low | 98 Ų | 98 | 123.1 Ų | 123.1 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -49.2 | 123 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S136 | A134-S136 PolarHBondContact O-N 3.43Š| ||
| 135 | A | 32.4 | Very low | 38.3 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -67.6 | 112.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | K133 K137 | K133-A135 PolarHBondContact O-N 3.08Å; A135-K137 PolarHBondContact O-N 2.85Å | ||
| 136 | S | 37.1 | Very low | 39.5 | Very low | 120 Ų | 120 | 131 Ų | 131 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 116.8 | 172.3 | -11.4 | 0 | 0 | 0 | 0 | 108.9 | A134 A138 | A134-S136 PolarHBondContact O-N 3.43Å; S136-A138 PolarHBondContact O-N 3.3Å |
| 137 | K | 41.7 | Very low | 41.3 | Very low | 206 Ų | 206 | 125.5 Ų | 125.5 | 90% | 0.896 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 126.1 | 165.4 | -83.4 | 174.2 | 173.6 | 173.8 | 0 | 108.5 | A135 | A135-K137 PolarHBondContact O-N 2.85Š|
| 138 | A | 41.2 | Very low | 42.6 | Very low | 89 Ų | 89 | 126 Ų | 126 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 133.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | S136 A140 | S136-A138 PolarHBondContact O-N 3.3Å; A138-A140 PolarHBondContact O-N 3.22Å |
| 139 | P | 42.5 | Very low | 43.8 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 79% | 0.792 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 136 | 179.7 | 24.7 | -30.8 | 0 | 0 | 0 | 109.2 | ||
| 140 | A | 43.1 | Very low | 46.1 | Very low | 83 Ų | 83 | 124.1 Ų | 124.1 | 69% | 0.686 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 141.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | A138 T142 | A138-A140 PolarHBondContact O-N 3.22Å; A140-T142 PolarHBondContact O-N 2.86Å |
| 141 | P | 45.1 | Very low | 48.5 | Very low | 124 Ų | 124 | 121.3 Ų | 121.3 | 81% | 0.805 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 119.4 | 179 | 23.4 | -31.9 | 0 | 0 | 0 | 108.8 | ||
| 142 | T | 46.6 | Very low | 50.6 | Low | 93 Ų | 93 | 115.6 Ų | 115.6 | 57% | 0.571 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 128.3 | 173.6 | 16.2 | 0 | 0 | 0 | 0 | 108.1 | A140 T144 P293 | A140-T142 PolarHBondContact O-N 2.86Å; T142-T144 PolarHBondContact O-N 3.22Å; T142-T144 VanDerWaalsContact O-N 3.12Å; T142-P293 WeakPolarHBondContact OG1-CG 3.27Å |
| 143 | P | 44.3 | Very low | 52.6 | Low | 117 Ų | 117 | 108.4 Ų | 108.4 | 76% | 0.76 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -60 | 122.9 | -178 | 22 | -30.6 | 0 | 0 | 0 | 108.9 | K145 | P143-K145 PolarHBondContact O-N 3.16Å; P143-K145 VanDerWaalsContact O-N 3.07Å |
| 144 | T | 49.2 | Very low | 54.8 | Low | 64 Ų | 64 | 104.5 Ų | 104.5 | 39% | 0.393 | 61% | 0.608 | S | S | . | * | trans | -58.1 | 115.8 | 170.5 | 49.5 | 0 | 0 | 0 | 0 | 107.3 | T142 R146 | T142-T144 PolarHBondContact O-N 3.22Å; T142-T144 VanDerWaalsContact O-N 3.12Å; T144-R146 PolarHBondContact O-N 2.84Å | ||
| 145 | K | 48.9 | Very low | 57 | Low | 180 Ų | 180 | 103.3 Ų | 103.3 | 78% | 0.783 | 59% | 0.592 | S | S | * | * | trans | -59 | 99.8 | 178.1 | -165.7 | -179.7 | -177.8 | -171.2 | 0 | 107.7 | P143 R147 | P143-K145 PolarHBondContact O-N 3.16Å; P143-K145 VanDerWaalsContact O-N 3.07Å; K145-R147 PolarHBondContact O-N 3.44Å | ||
| 146 | R | 56.3 | Low | 58.9 | Low | 222 Ų | 222 | 99.8 Ų | 99.8 | 84% | 0.838 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 135.9 | 169.1 | -90 | -172 | 176.2 | -172.4 | -2.2 | 106.8 | T144 N148 | T144-R146 PolarHBondContact O-N 2.84Å; R146-N148 PolarHBondContact O-N 2.87Å |
| 147 | R | 67.1 | Low | 60.4 | Low | 84 Ų | 84 | 99.7 Ų | 99.7 | 32% | 0.317 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 134.6 | 173.5 | -72.9 | -173.2 | 159.4 | 144.5 | 6.7 | 109 | K145 S149 D184 D188 R296 | K145-R147 PolarHBondContact O-N 3.44Å; R147-S149 PolarHBondContact O-N 2.82Å; R147-D184 VanDerWaalsContact CD-CG 3.46Å; R147-D184 WeakPolarHBondContact CD-OD1 3.37Å; R147-D184 VanDerWaalsContact CD-OD2 3.32Å; R147-D184 WeakPolarHBondContact CD-OD2 3.34Å; R147-D184 IonicContact CZ-OD1 2.77Å; R147-D184 IonicContact NE-OD1 3.95Å; R147-D184 PolarHBondContact NE-OD1 2.94Å; R147-D184 IonicContact NE-OD2 3.73Å; R147-D184 PolarHBondContact NH2-O 3.37Å; R147-D188 IonicContact CZ-OD1 3.96Å; R147-D188 IonicContact CZ-OD2 3.79Å; R147-D188 VanDerWaalsContact CZ-OD2 3.25Å; R147-D188 IonicContact NH1-OD1 2.83Å; R147-D188 IonicContact NH1-OD2 2.69Å; R147-D188 PolarHBondContact NH1-OD2 2.82Å; R147-D188 IonicContact NH2-OD1 3.43Å; R147-D188 PolarHBondContact NH2-OD1 3.3Å; R147-D188 IonicContact NH2-OD2 2.78Å; R147-D188 PolarHBondContact NH2-OD2 2.76Å; R147-R296 VanDerWaalsContact NH1-NH1 3.16Å |
| 148 | N | 57.4 | Low | 61.3 | Low | 116 Ų | 116 | 95.7 Ų | 95.7 | 62% | 0.62 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 123.1 | -179.5 | -71.5 | -10.1 | 0 | 0 | 0 | 108.9 | R146 T150 | R146-N148 PolarHBondContact O-N 2.87Å; N148-T150 PolarHBondContact O-N 2.88Å |
| 149 | S | 68.8 | Low | 62.2 | Low | 92 Ų | 92 | 99.1 Ų | 99.1 | 64% | 0.643 | 54% | 0.542 | S | S | * | . | trans | -88.3 | 42.5 | 175.8 | -178 | 0 | 0 | 0 | 0 | 111 | R147 L151 | R147-S149 PolarHBondContact O-N 2.82Å; S149-L151 PolarHBondContact O-N 2.93Å | ||
| 150 | T | 78.4 | Confident | 63.4 | Low | 59 Ų | 59 | 97 Ų | 97 | 36% | 0.362 | 52% | 0.521 | S | S | . | . | trans | -65.9 | 125.5 | -178.1 | -56.8 | 0 | 0 | 0 | 0 | 109.4 | N148 E154 T155 Y176 | N148-T150 PolarHBondContact O-N 2.88Å; T150-E154 WeakPolarHBondContact CA-OE2 3.34Å; T150-E154 HydrophobicContact CG2-CB 4.08Å; T150-T155 HydrophobicContact CG2-CG2 4.1Å; T150-Y176 WeakPolarHBondContact O-CE1 3.4Å | ||
| 151 | L | 80.2 | Confident | 64.5 | Low | 82 Ų | 82 | 96.9 Ų | 96.9 | 43% | 0.429 | 51% | 0.505 | S | S | . | . | trans | -76 | 151.1 | 176.6 | -62.6 | 172 | 0 | 0 | 0 | 109.9 | S149 S153 E154 | S149-L151 PolarHBondContact O-N 2.93Å; L151-S153 PolarHBondContact O-N 2.86Å; L151-E154 HydrophobicContact CB-CG 4.02Å; L151-E154 PolarHBondContact N-OE2 2.96Å; L151-E154 WeakPolarHBondContact O-CB 3.43Å; L151-E154 PolarHBondContact O-N 2.82Å | ||
| 152 | W | 84.6 | Confident | 65.6 | Low | 15 Ų | 15 | 95.6 Ų | 95.6 | 6% | 0.057 | 50% | 0.499 | C | S | . | . | G | 310 helix | trans | -56.8 | -39.3 | 171.9 | 177.5 | 81.2 | 0 | 0 | 0 | 111.2 | E154 T155 L156 F164 Q172 E173 Y176 G240 T241 | W152-E154 PolarHBondContact O-N 2.71Å; W152-T155 PolarHBondContact O-N 2.77Å; W152-T155 PolarHBondContact O-OG1 2.84Å; W152-L156 HydrophobicContact CD2-CD1 4.42Å; W152-L156 HydrophobicContact CE3-CD1 4.22Å; W152-L156 HydrophobicContact CH2-CD1 3.21Å; W152-L156 HydrophobicContact CH2-CG 4.35Å; W152-L156 HydrophobicContact CZ2-CD1 3.42Å; W152-L156 VanDerWaalsContact CZ2-CD1 3.42Å; W152-L156 HydrophobicContact CZ2-CD2 4.49Å; W152-L156 HydrophobicContact CZ2-CG 4.18Å; W152-L156 HydrophobicContact CZ3-CD1 3.64Å; W152-F164 HydrophobicContact CH2-CD2 4.24Å; W152-F164 HydrophobicContact CH2-CE2 4.19Å; W152-Q172 HydrophobicContact CD2-CB 3.65Å; W152-Q172 HydrophobicContact CE3-CB 3.62Å; W152-Q172 HydrophobicContact CG-CB 4.36Å; W152-Q172 HydrophobicContact CH2-CB 3.74Å; W152-Q172 HydrophobicContact CH2-CG 3.76Å; W152-Q172 HydrophobicContact CZ2-CB 3.78Å; W152-Q172 HydrophobicContact CZ2-CG 3.86Å; W152-Q172 HydrophobicContact CZ3-CB 3.67Å; W152-Q172 HydrophobicContact CZ3-CG 4.12Å; W152-E173 HydrophobicContact CB-CG 4.12Å; W152-Y176 HydrophobicContact CB-CD1 3.76Å; W152-Y176 HydrophobicContact CB-CD2 4.46Å; W152-Y176 HydrophobicContact CB-CE1 4.49Å; W152-Y176 HydrophobicContact CB-CG 3.72Å; W152-Y176 AromaticContact CD1-CD2 3.88Å; W152-Y176 AromaticContact CD1-CG 3.92Å; W152-Y176 HydrophobicContact CG-CG 4.22Å; W152-G240 WeakPolarHBondContact CZ2-O 3.38Å; W152-G240 PolarHBondContact NE1-O 3.28Å; W152-T241 HydrophobicContact CH2-CG2 4.04Å; W152-T241 HydrophobicContact CZ2-CG2 3.87Å |
| 153 | S | 75.4 | Confident | 67.2 | Low | 9 Ų | 9 | 95 Ų | 95 | 6% | 0.063 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -71.5 | -1.2 | 179.2 | 70.4 | 0 | 0 | 0 | 0 | 114.4 | L151 K161 E173 | L151-S153 PolarHBondContact O-N 2.86Å; S153-K161 VanDerWaalsContact CB-NZ 3.32Å; S153-K161 PolarHBondContact O-NZ 3.02Å; S153-K161 PolarHBondContact OG-NZ 3.35Å; S153-K161 VanDerWaalsContact OG-NZ 3.09Å; S153-E173 PolarHBondContact OG-OE1 3Å |
| 154 | E | 79.9 | Confident | 69.1 | Low | 120 Ų | 120 | 91.6 Ų | 91.6 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -98.1 | -13.2 | 168.8 | -65.9 | 171 | 170.1 | 0 | 0 | 112.4 | T150 L151 W152 L156 | T150-E154 WeakPolarHBondContact CA-OE2 3.34Å; T150-E154 HydrophobicContact CG2-CB 4.08Å; L151-E154 HydrophobicContact CB-CG 4.02Å; L151-E154 PolarHBondContact N-OE2 2.96Å; L151-E154 WeakPolarHBondContact O-CB 3.43Å; L151-E154 PolarHBondContact O-N 2.82Å; W152-E154 PolarHBondContact O-N 2.71Å; E154-L156 VanDerWaalsContact C-N 3.33Å |
| 155 | T | 77.6 | Confident | 71.1 | Confident | 74 Ų | 74 | 92 Ų | 92 | 45% | 0.454 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -86.1 | -6.6 | 175.2 | 62.7 | 0 | 0 | 0 | 0 | 113.1 | T150 W152 | T150-T155 HydrophobicContact CG2-CG2 4.1Å; W152-T155 PolarHBondContact O-N 2.77Å; W152-T155 PolarHBondContact O-OG1 2.84Å |
| 156 | L | 71.6 | Confident | 73 | Confident | 24 Ų | 24 | 86.9 Ų | 86.9 | 13% | 0.126 | 47% | 0.474 | C | S | . | . | S | Bend | trans | -106.5 | 152.2 | 179.1 | -65 | -175.7 | 0 | 0 | 0 | 112.7 | W152 E154 Q160 F164 | W152-L156 HydrophobicContact CD2-CD1 4.42Å; W152-L156 HydrophobicContact CE3-CD1 4.22Å; W152-L156 HydrophobicContact CH2-CD1 3.21Å; W152-L156 HydrophobicContact CH2-CG 4.35Å; W152-L156 HydrophobicContact CZ2-CD1 3.42Å; W152-L156 VanDerWaalsContact CZ2-CD1 3.42Å; W152-L156 HydrophobicContact CZ2-CD2 4.49Å; W152-L156 HydrophobicContact CZ2-CG 4.18Å; W152-L156 HydrophobicContact CZ3-CD1 3.64Å; E154-L156 VanDerWaalsContact C-N 3.33Å; L156-Q160 HydrophobicContact CB-CB 4.44Å; L156-F164 HydrophobicContact CD1-CE2 4.16Å |
| 157 | D | 68.1 | Low | 74.7 | Confident | 118 Ų | 118 | 80.6 Ų | 80.6 | 63% | 0.631 | 45% | 0.452 | S | S | * | . | trans | -67.1 | 149.7 | 171.1 | -81.7 | -24.4 | 0 | 0 | 0 | 111.8 | H159 Q160 K161 | D157-H159 PolarHBondContact O-N 3.35Å; D157-H159 VanDerWaalsContact O-N 3.13Å; D157-Q160 HydrophobicContact CB-CG 4.42Å; D157-Q160 WeakPolarHBondContact O-CB 3.42Å; D157-Q160 PolarHBondContact O-N 2.83Å; D157-K161 PolarHBondContact O-N 2.86Å | ||
| 158 | V | 62.2 | Low | 76 | Confident | 122 Ų | 122 | 78.4 Ų | 78.4 | 74% | 0.739 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -55.3 | -36 | -176.4 | -179.2 | 0 | 0 | 0 | 0 | 112.4 | S162 | V158-S162 PolarHBondContact O-N 3.44Å |
| 159 | H | 60.1 | Low | 77.6 | Confident | 161 Ų | 161 | 74.2 Ų | 74.2 | 75% | 0.745 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -70.5 | -37.9 | 177.8 | -68 | -66.8 | 0 | 0 | 0 | 112.8 | D157 S162 | D157-H159 PolarHBondContact O-N 3.35Å; D157-H159 VanDerWaalsContact O-N 3.13Å; H159-S162 PolarHBondContact O-N 3.06Å; H159-S162 PolarHBondContact O-OG 3.42Å |
| 160 | Q | 67.6 | Low | 78.9 | Confident | 79 Ų | 79 | 73.3 Ų | 73.3 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.4 | -38.8 | 176.1 | -67.5 | 174.9 | -25.8 | 0 | 0 | 111.1 | L156 D157 S162 A163 F164 | L156-Q160 HydrophobicContact CB-CB 4.44Å; D157-Q160 HydrophobicContact CB-CG 4.42Å; D157-Q160 WeakPolarHBondContact O-CB 3.42Å; D157-Q160 PolarHBondContact O-N 2.83Å; Q160-S162 VanDerWaalsContact C-N 3.26Å; Q160-S162 PolarHBondContact O-N 2.85Å; Q160-A163 WeakPolarHBondContact O-CB 3.42Å; Q160-A163 PolarHBondContact O-N 3.08Å; Q160-A163 VanDerWaalsContact O-N 3.12Å; Q160-F164 VanDerWaalsContact O-CD2 3.25Å; Q160-F164 WeakPolarHBondContact O-CD2 3.42Å; Q160-F164 VanDerWaalsContact O-CE2 3.3Å; Q160-F164 WeakPolarHBondContact O-CE2 3.42Å |
| 161 | K | 65.6 | Low | 79.7 | Confident | 80 Ų | 80 | 70.7 Ų | 70.7 | 35% | 0.348 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -59.4 | -34.6 | 177.3 | -171.1 | 172 | -173.7 | 152.7 | 0 | 113.3 | S153 D157 A163 | S153-K161 VanDerWaalsContact CB-NZ 3.32Å; S153-K161 PolarHBondContact O-NZ 3.02Å; S153-K161 PolarHBondContact OG-NZ 3.35Å; S153-K161 VanDerWaalsContact OG-NZ 3.09Å; D157-K161 PolarHBondContact O-N 2.86Å; K161-A163 VanDerWaalsContact C-N 3.26Å; K161-A163 PolarHBondContact O-N 2.61Å |
| 162 | S | 67.4 | Low | 80.5 | Confident | 97 Ų | 97 | 66.9 Ų | 66.9 | 68% | 0.678 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -11.7 | 179.8 | 67.9 | 0 | 0 | 0 | 0 | 114.7 | V158 H159 Q160 | V158-S162 PolarHBondContact O-N 3.44Å; H159-S162 PolarHBondContact O-N 3.06Å; H159-S162 PolarHBondContact O-OG 3.42Å; Q160-S162 VanDerWaalsContact C-N 3.26Å; Q160-S162 PolarHBondContact O-N 2.85Å |
| 163 | A | 79.9 | Confident | 81 | Confident | 79 Ų | 79 | 68.5 Ų | 68.5 | 65% | 0.653 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -16.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q160 K161 | Q160-A163 WeakPolarHBondContact O-CB 3.42Å; Q160-A163 PolarHBondContact O-N 3.08Å; Q160-A163 VanDerWaalsContact O-N 3.12Å; K161-A163 VanDerWaalsContact C-N 3.26Å; K161-A163 PolarHBondContact O-N 2.61Å |
| 164 | F | 85.3 | Confident | 82 | Confident | 47 Ų | 47 | 68.3 Ų | 68.3 | 21% | 0.206 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -104.1 | 146.6 | -173.2 | -58.3 | -67.6 | 0 | 0 | 0 | 112.8 | W152 L156 Q160 E168 I169 T241 | W152-F164 HydrophobicContact CH2-CD2 4.24Å; W152-F164 HydrophobicContact CH2-CE2 4.19Å; L156-F164 HydrophobicContact CD1-CE2 4.16Å; Q160-F164 VanDerWaalsContact O-CD2 3.25Å; Q160-F164 WeakPolarHBondContact O-CD2 3.42Å; Q160-F164 VanDerWaalsContact O-CE2 3.3Å; Q160-F164 WeakPolarHBondContact O-CE2 3.42Å; F164-E168 HydrophobicContact CD1-CG 4.23Å; F164-I169 HydrophobicContact CB-CD1 4.39Å; F164-I169 HydrophobicContact CB-CG1 3.84Å; F164-T241 HydrophobicContact CD1-CG2 4.47Å; F164-T241 HydrophobicContact CE1-CG2 3.59Å; F164-T241 HydrophobicContact CE2-CG2 4.09Å; F164-T241 HydrophobicContact CZ-CG2 3.36Å |
| 165 | S | 90.1 | Very high | 82.8 | Confident | 72 Ų | 72 | 62.9 Ų | 62.9 | 50% | 0.503 | 35% | 0.353 | S | S | . | . | trans | -67.7 | 152.8 | 171 | 78.9 | 0 | 0 | 0 | 0 | 110.8 | K167 E168 I169 | S165-K167 PolarHBondContact O-N 2.93Å; S165-K167 VanDerWaalsContact O-N 3.14Å; S165-E168 PolarHBondContact O-N 2.81Å; S165-E168 WeakPolarHBondContact OG-CB 3.41Å; S165-E168 PolarHBondContact OG-N 2.93Å; S165-E168 VanDerWaalsContact OG-N 3.1Å; S165-I169 WeakPolarHBondContact O-CG1 3.45Å; S165-I169 PolarHBondContact O-N 3.21Å | ||
| 166 | A | 89.8 | Confident | 83.6 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 60% | 0.603 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -58.1 | -29.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K170 | A166-K170 WeakPolarHBondContact O-CG 3.4Å; A166-K170 PolarHBondContact O-N 3.01Å |
| 167 | K | 92.5 | Very high | 84.7 | Confident | 90 Ų | 90 | 63.1 Ų | 63.1 | 39% | 0.391 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -71.6 | -41.5 | 176 | -165.3 | -177.6 | 179.2 | -160 | 0 | 111 | S165 K170 R171 H324 T325 | S165-K167 PolarHBondContact O-N 2.93Å; S165-K167 VanDerWaalsContact O-N 3.14Å; K167-K170 PolarHBondContact O-N 3.15Å; K167-R171 PolarHBondContact O-N 3.21Å; K167-H324 WeakPolarHBondContact CE-O 3.32Å; K167-H324 HydrophobicContact CG-CB 4.35Å; K167-H324 WeakPolarHBondContact CG-O 3.36Å; K167-T325 PolarHBondContact NZ-O 3.04Å |
| 168 | E | 93.3 | Very high | 86.1 | Confident | 37 Ų | 37 | 57.6 Ų | 57.6 | 17% | 0.173 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68 | -39.8 | 177.1 | -176.1 | 56.5 | -162.2 | 0 | 0 | 112.1 | F164 S165 K170 R171 Q172 | F164-E168 HydrophobicContact CD1-CG 4.23Å; S165-E168 PolarHBondContact O-N 2.81Å; S165-E168 WeakPolarHBondContact OG-CB 3.41Å; S165-E168 PolarHBondContact OG-N 2.93Å; S165-E168 VanDerWaalsContact OG-N 3.1Å; E168-K170 VanDerWaalsContact C-N 3.28Å; E168-K170 PolarHBondContact O-N 3.36Å; E168-R171 WeakPolarHBondContact O-CB 3.47Å; E168-R171 PolarHBondContact O-N 2.83Å; E168-R171 VanDerWaalsContact O-N 3.08Å; E168-R171 IonicContact OE1-CZ 3.47Å; E168-R171 IonicContact OE1-NE 3.19Å; E168-R171 PolarHBondContact OE1-NE 3.28Å; E168-R171 IonicContact OE1-NH2 2.87Å; E168-R171 PolarHBondContact OE1-NH2 2.79Å; E168-R171 IonicContact OE2-CZ 3.83Å; E168-R171 IonicContact OE2-NE 2.94Å; E168-R171 PolarHBondContact OE2-NE 3.11Å; E168-R171 IonicContact OE2-NH2 3.82Å; E168-Q172 HydrophobicContact CG-CG 4.45Å; E168-Q172 WeakPolarHBondContact O-CG 3.24Å; E168-Q172 PolarHBondContact O-N 2.79Å; E168-Q172 PolarHBondContact OE1-NE2 2.8Å |
| 169 | I | 92.4 | Very high | 87.7 | Confident | 29 Ų | 29 | 53.5 Ų | 53.5 | 15% | 0.149 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -55.9 | -45.6 | 173.1 | -66.4 | 170 | 0 | 0 | 0 | 110.4 | F164 S165 R171 Q172 E173 | F164-I169 HydrophobicContact CB-CD1 4.39Å; F164-I169 HydrophobicContact CB-CG1 3.84Å; S165-I169 WeakPolarHBondContact O-CG1 3.45Å; S165-I169 PolarHBondContact O-N 3.21Å; I169-R171 VanDerWaalsContact C-N 3.35Å; I169-R171 PolarHBondContact O-N 2.78Å; I169-Q172 PolarHBondContact O-N 3.46Å; I169-E173 HydrophobicContact CG2-CG 4.35Å; I169-E173 WeakPolarHBondContact O-CB 3.48Å; I169-E173 VanDerWaalsContact O-CG 3.29Å; I169-E173 WeakPolarHBondContact O-CG 3.5Å; I169-E173 PolarHBondContact O-N 2.91Å |
| 170 | K | 94.7 | Very high | 89.3 | Confident | 73 Ų | 73 | 49 Ų | 49 | 32% | 0.317 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.7 | -35.1 | 177.4 | -70.9 | -177.4 | -178.2 | -175 | 0 | 112.9 | A166 K167 E168 A174 H324 | A166-K170 WeakPolarHBondContact O-CG 3.4Å; A166-K170 PolarHBondContact O-N 3.01Å; K167-K170 PolarHBondContact O-N 3.15Å; E168-K170 VanDerWaalsContact C-N 3.28Å; E168-K170 PolarHBondContact O-N 3.36Å; K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 2.68Å; K170-H324 HydrophobicContact CB-CB 4.4Å |
| 171 | R | 96.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 1% | 0.011 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 173.9 | -165.7 | -178 | 76 | 102.3 | -1.8 | 110.8 | K167 E168 I169 A174 I175 V242 D243 I321 H324 D331 | K167-R171 PolarHBondContact O-N 3.21Å; E168-R171 WeakPolarHBondContact O-CB 3.47Å; E168-R171 PolarHBondContact O-N 2.83Å; E168-R171 VanDerWaalsContact O-N 3.08Å; E168-R171 IonicContact OE1-CZ 3.47Å; E168-R171 IonicContact OE1-NE 3.19Å; E168-R171 PolarHBondContact OE1-NE 3.28Å; E168-R171 IonicContact OE1-NH2 2.87Å; E168-R171 PolarHBondContact OE1-NH2 2.79Å; E168-R171 IonicContact OE2-CZ 3.83Å; E168-R171 IonicContact OE2-NE 2.94Å; E168-R171 PolarHBondContact OE2-NE 3.11Å; E168-R171 IonicContact OE2-NH2 3.82Å; I169-R171 VanDerWaalsContact C-N 3.35Å; I169-R171 PolarHBondContact O-N 2.78Å; R171-A174 PolarHBondContact O-N 3.2Å; R171-I175 HydrophobicContact CG-CD1 4.29Å; R171-I175 WeakPolarHBondContact O-CG1 3.28Å; R171-I175 PolarHBondContact O-N 2.89Å; R171-V242 PolarHBondContact NH2-O 3.36Å; R171-D243 PolarHBondContact NH1-O 3.37Å; R171-D243 PolarHBondContact NH2-O 2.99Å; R171-D243 VanDerWaalsContact NH2-O 3.1Å; R171-I321 HydrophobicContact CG-CG2 4.3Å; R171-H324 HydrophobicContact CB-CB 3.72Å; R171-H324 HydrophobicContact CG-CB 4.28Å; R171-D331 IonicContact NH1-OD2 3.85Å; R171-D331 PolarHBondContact NH1-OD2 3.34Å |
| 172 | Q | 95.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -37.7 | 178.3 | -65 | -58.4 | -33.2 | 0 | 0 | 112.2 | W152 E168 I169 A174 I175 Y176 T241 V242 | W152-Q172 HydrophobicContact CD2-CB 3.65Å; W152-Q172 HydrophobicContact CE3-CB 3.62Å; W152-Q172 HydrophobicContact CG-CB 4.36Å; W152-Q172 HydrophobicContact CH2-CB 3.74Å; W152-Q172 HydrophobicContact CH2-CG 3.76Å; W152-Q172 HydrophobicContact CZ2-CB 3.78Å; W152-Q172 HydrophobicContact CZ2-CG 3.86Å; W152-Q172 HydrophobicContact CZ3-CB 3.67Å; W152-Q172 HydrophobicContact CZ3-CG 4.12Å; E168-Q172 HydrophobicContact CG-CG 4.45Å; E168-Q172 WeakPolarHBondContact O-CG 3.24Å; E168-Q172 PolarHBondContact O-N 2.79Å; E168-Q172 PolarHBondContact OE1-NE2 2.8Å; I169-Q172 PolarHBondContact O-N 3.46Å; Q172-A174 PolarHBondContact O-N 3.11Å; Q172-I175 PolarHBondContact O-N 3.07Å; Q172-Y176 VanDerWaalsContact O-CB 3.28Å; Q172-Y176 WeakPolarHBondContact O-CB 3.15Å; Q172-Y176 PolarHBondContact O-N 3.2Å; Q172-T241 HydrophobicContact CG-CG2 4.46Å; Q172-V242 PolarHBondContact NE2-O 2.87Å |
| 173 | E | 95 | Very high | 93.4 | Very high | 50 Ų | 50 | 40.3 Ų | 40.3 | 23% | 0.234 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -42.4 | 173.2 | -77.4 | 174.4 | 170.1 | 0 | 0 | 112 | W152 S153 I169 Y176 E177 | W152-E173 HydrophobicContact CB-CG 4.12Å; S153-E173 PolarHBondContact OG-OE1 3Å; I169-E173 HydrophobicContact CG2-CG 4.35Å; I169-E173 WeakPolarHBondContact O-CB 3.48Å; I169-E173 VanDerWaalsContact O-CG 3.29Å; I169-E173 WeakPolarHBondContact O-CG 3.5Å; I169-E173 PolarHBondContact O-N 2.91Å; E173-Y176 PolarHBondContact O-N 3.36Å; E173-E177 WeakPolarHBondContact O-CB 3.26Å; E173-E177 PolarHBondContact O-N 2.78Å |
| 174 | A | 96.4 | Very high | 94.1 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.1 | -38.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | K170 R171 Q172 E177 L178 E320 I321 | K170-A174 WeakPolarHBondContact O-CB 3.44Å; K170-A174 PolarHBondContact O-N 2.68Å; R171-A174 PolarHBondContact O-N 3.2Å; Q172-A174 PolarHBondContact O-N 3.11Å; A174-E177 PolarHBondContact O-N 3.32Å; A174-L178 PolarHBondContact O-N 3.04Å; A174-L178 VanDerWaalsContact O-N 3.13Å; A174-E320 HydrophobicContact CB-CB 4.48Å; A174-E320 HydrophobicContact CB-CG 3.94Å; A174-I321 HydrophobicContact CB-CG1 3.7Å |
| 175 | I | 96.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 36.1 Ų | 36.1 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -44.2 | 173.7 | -69.6 | 169.4 | 0 | 0 | 0 | 110.6 | R171 Q172 E177 L178 F179 V242 I245 I321 | R171-I175 HydrophobicContact CG-CD1 4.29Å; R171-I175 WeakPolarHBondContact O-CG1 3.28Å; R171-I175 PolarHBondContact O-N 2.89Å; Q172-I175 PolarHBondContact O-N 3.07Å; I175-E177 VanDerWaalsContact C-N 3.34Å; I175-E177 PolarHBondContact O-N 3.22Å; I175-L178 WeakPolarHBondContact O-CB 3.28Å; I175-L178 PolarHBondContact O-N 3.2Å; I175-F179 PolarHBondContact O-N 3.38Å; I175-V242 HydrophobicContact CD1-CB 4.17Å; I175-V242 HydrophobicContact CD1-CG1 4.43Å; I175-V242 HydrophobicContact CG2-CB 4.07Å; I175-V242 HydrophobicContact CG2-CG1 4.44Å; I175-V242 HydrophobicContact CG2-CG2 3.89Å; I175-I245 HydrophobicContact CB-CD1 4.35Å; I175-I245 HydrophobicContact CD1-CB 4.49Å; I175-I245 HydrophobicContact CD1-CG2 4.12Å; I175-I245 HydrophobicContact CG1-CD1 3.96Å; I175-I245 HydrophobicContact CG1-CG2 4.31Å; I175-I245 HydrophobicContact CG2-CD1 3.78Å; I175-I321 HydrophobicContact CD1-CG2 4.36Å; I175-I321 HydrophobicContact CG1-CD1 4.02Å; I175-I321 HydrophobicContact CG1-CG1 4.05Å; I175-I321 HydrophobicContact CG1-CG2 3.97Å |
| 176 | Y | 94.8 | Very high | 94.8 | Very high | 45 Ų | 45 | 33.4 Ų | 33.4 | 18% | 0.176 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.6 | -34.4 | 178.2 | -172.2 | -109 | 0 | 0 | 0 | 112.2 | T150 W152 Q172 E173 L178 F179 R180 | T150-Y176 WeakPolarHBondContact O-CE1 3.4Å; W152-Y176 HydrophobicContact CB-CD1 3.76Å; W152-Y176 HydrophobicContact CB-CD2 4.46Å; W152-Y176 HydrophobicContact CB-CE1 4.49Å; W152-Y176 HydrophobicContact CB-CG 3.72Å; W152-Y176 AromaticContact CD1-CD2 3.88Å; W152-Y176 AromaticContact CD1-CG 3.92Å; W152-Y176 HydrophobicContact CG-CG 4.22Å; Q172-Y176 VanDerWaalsContact O-CB 3.28Å; Q172-Y176 WeakPolarHBondContact O-CB 3.15Å; Q172-Y176 PolarHBondContact O-N 3.2Å; E173-Y176 PolarHBondContact O-N 3.36Å; Y176-L178 VanDerWaalsContact C-N 3.33Å; Y176-L178 PolarHBondContact O-N 3.37Å; Y176-F179 HydrophobicContact CD2-CD1 4.26Å; Y176-F179 HydrophobicContact CE2-CD1 4.16Å; Y176-F179 PolarHBondContact O-N 3.02Å; Y176-R180 HydrophobicContact CD1-CG 3.78Å; Y176-R180 HydrophobicContact CD2-CG 4.42Å; Y176-R180 HydrophobicContact CE1-CG 3.44Å; Y176-R180 VanDerWaalsContact CE1-CG 3.44Å; Y176-R180 HydrophobicContact CE2-CG 4.11Å; Y176-R180 HydrophobicContact CG-CG 4.27Å; Y176-R180 WeakPolarHBondContact O-CB 3.28Å; Y176-R180 WeakPolarHBondContact O-CG 3.41Å; Y176-R180 PolarHBondContact O-N 3.08Å |
| 177 | E | 95.6 | Very high | 95 | Very high | 58 Ų | 58 | 35 Ų | 35 | 27% | 0.271 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 172 | -175.9 | 177.8 | -174 | 0 | 0 | 111.6 | E173 A174 I175 G181 L317 | E173-E177 WeakPolarHBondContact O-CB 3.26Å; E173-E177 PolarHBondContact O-N 2.78Å; A174-E177 PolarHBondContact O-N 3.32Å; I175-E177 VanDerWaalsContact C-N 3.34Å; I175-E177 PolarHBondContact O-N 3.22Å; E177-G181 PolarHBondContact O-N 2.98Å; E177-L317 HydrophobicContact CG-CD2 4.01Å |
| 178 | L | 96.7 | Very high | 95 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.7 | -55.4 | 171.4 | 175.6 | 66.9 | 0 | 0 | 0 | 109.9 | A174 I175 Y176 R180 G181 E182 I245 V249 R310 Y314 L317 I321 | A174-L178 PolarHBondContact O-N 3.04Å; A174-L178 VanDerWaalsContact O-N 3.13Å; I175-L178 WeakPolarHBondContact O-CB 3.28Å; I175-L178 PolarHBondContact O-N 3.2Å; Y176-L178 VanDerWaalsContact C-N 3.33Å; Y176-L178 PolarHBondContact O-N 3.37Å; L178-R180 PolarHBondContact O-N 3.23Å; L178-G181 PolarHBondContact O-N 3.33Å; L178-E182 WeakPolarHBondContact O-CG 3.21Å; L178-E182 PolarHBondContact O-N 3.45Å; L178-I245 HydrophobicContact CD2-CD1 3.96Å; L178-V249 HydrophobicContact CD2-CG1 4.3Å; L178-R310 PolarHBondContact O-NH2 3.03Å; L178-Y314 HydrophobicContact CD1-CD1 3.93Å; L178-Y314 HydrophobicContact CD1-CE1 3.94Å; L178-L317 HydrophobicContact CD1-CD1 3.88Å; L178-I321 HydrophobicContact CD2-CD1 4.36Å |
| 179 | F | 95.8 | Very high | 95 | Very high | 36 Ų | 36 | 29.6 Ų | 29.6 | 16% | 0.158 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56 | -50.1 | -179.5 | 175.8 | -98.7 | 0 | 0 | 0 | 113.2 | I175 Y176 G181 E182 Q183 T229 L232 | I175-F179 PolarHBondContact O-N 3.38Å; Y176-F179 HydrophobicContact CD2-CD1 4.26Å; Y176-F179 HydrophobicContact CE2-CD1 4.16Å; Y176-F179 PolarHBondContact O-N 3.02Å; F179-G181 VanDerWaalsContact C-N 3.3Å; F179-G181 PolarHBondContact O-N 3.31Å; F179-E182 WeakPolarHBondContact O-CB 3.37Å; F179-E182 PolarHBondContact O-N 2.85Å; F179-E182 VanDerWaalsContact O-N 3.1Å; F179-Q183 HydrophobicContact CE1-CG 4.1Å; F179-Q183 HydrophobicContact CZ-CG 4.19Å; F179-Q183 PolarHBondContact O-N 3.38Å; F179-Q183 VanDerWaalsContact O-N 3.07Å; F179-T229 HydrophobicContact CD2-CG2 4.38Å; F179-T229 HydrophobicContact CE2-CG2 4.27Å; F179-L232 HydrophobicContact CB-CD1 4.1Å; F179-L232 HydrophobicContact CD2-CB 4Å; F179-L232 HydrophobicContact CD2-CD1 4.06Å |
| 180 | R | 94.2 | Very high | 95.1 | Very high | 68 Ų | 68 | 31 Ų | 31 | 26% | 0.257 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.8 | -40.6 | 177.8 | -74.8 | -59.7 | -54.2 | 172.1 | 5.5 | 111.8 | Y176 L178 E182 Q183 D184 | Y176-R180 HydrophobicContact CD1-CG 3.78Å; Y176-R180 HydrophobicContact CD2-CG 4.42Å; Y176-R180 HydrophobicContact CE1-CG 3.44Å; Y176-R180 VanDerWaalsContact CE1-CG 3.44Å; Y176-R180 HydrophobicContact CE2-CG 4.11Å; Y176-R180 HydrophobicContact CG-CG 4.27Å; Y176-R180 WeakPolarHBondContact O-CB 3.28Å; Y176-R180 WeakPolarHBondContact O-CG 3.41Å; Y176-R180 PolarHBondContact O-N 3.08Å; L178-R180 PolarHBondContact O-N 3.23Å; R180-E182 VanDerWaalsContact C-N 3.28Å; R180-E182 PolarHBondContact O-N 3.08Å; R180-Q183 PolarHBondContact O-N 3.49Å; R180-D184 IonicContact NH2-OD1 2.87Å; R180-D184 WeakPolarHBondContact O-CB 3.41Å; R180-D184 PolarHBondContact O-N 3.13Å |
| 181 | G | 95.3 | Very high | 95 | Very high | 13 Ų | 13 | 29.5 Ų | 29.5 | 13% | 0.134 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -31.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E177 L178 F179 L185 R310 | E177-G181 PolarHBondContact O-N 2.98Å; L178-G181 PolarHBondContact O-N 3.33Å; F179-G181 VanDerWaalsContact C-N 3.3Å; F179-G181 PolarHBondContact O-N 3.31Å; G181-L185 WeakPolarHBondContact O-CB 3.5Å; G181-L185 PolarHBondContact O-N 3.01Å; G181-R310 VanDerWaalsContact C-NH2 3.34Å |
| 182 | E | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -70 | -44 | 172.7 | -63.3 | -51.3 | 111.3 | 0 | 0 | 111.7 | L178 F179 R180 D184 L185 I186 H225 L228 T229 R310 Y314 | L178-E182 WeakPolarHBondContact O-CG 3.21Å; L178-E182 PolarHBondContact O-N 3.45Å; F179-E182 WeakPolarHBondContact O-CB 3.37Å; F179-E182 PolarHBondContact O-N 2.85Å; F179-E182 VanDerWaalsContact O-N 3.1Å; R180-E182 VanDerWaalsContact C-N 3.28Å; R180-E182 PolarHBondContact O-N 3.08Å; E182-D184 VanDerWaalsContact C-N 3.33Å; E182-D184 PolarHBondContact O-N 3.21Å; E182-L185 WeakPolarHBondContact O-CB 3.09Å; E182-L185 PolarHBondContact O-N 2.85Å; E182-I186 WeakPolarHBondContact O-CD1 3.48Å; E182-I186 VanDerWaalsContact O-CG1 3.25Å; E182-I186 WeakPolarHBondContact O-CG1 3.38Å; E182-I186 PolarHBondContact O-N 2.97Å; E182-H225 IonicContact OE2-CE1 3.54Å; E182-H225 IonicContact OE2-CG 3.53Å; E182-H225 IonicContact OE2-ND1 2.67Å; E182-H225 PolarHBondContact OE2-ND1 3.32Å; E182-L228 HydrophobicContact CG-CD2 3.72Å; E182-L228 HydrophobicContact CG-CG 4.41Å; E182-T229 HydrophobicContact CB-CG2 3.56Å; E182-R310 IonicContact OE1-CZ 3.39Å; E182-R310 IonicContact OE1-NE 2.69Å; E182-R310 PolarHBondContact OE1-NE 3.14Å; E182-R310 IonicContact OE1-NH2 3.56Å; E182-R310 PolarHBondContact OE1-NH2 2.98Å; E182-Y314 VanDerWaalsContact OE1-CE1 3.26Å; E182-Y314 WeakPolarHBondContact OE1-CE1 3.36Å; E182-Y314 PolarHBondContact OE1-OH 3.1Å; E182-Y314 PolarHBondContact OE2-OH 3.04Å |
| 183 | Q | 95.4 | Very high | 94.7 | Very high | 59 Ų | 59 | 31.8 Ų | 31.8 | 28% | 0.276 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -58.6 | -46.5 | 174.8 | -66.2 | -171.4 | -46.7 | 0 | 0 | 111.4 | F179 R180 L185 I186 E187 T229 | F179-Q183 HydrophobicContact CE1-CG 4.1Å; F179-Q183 HydrophobicContact CZ-CG 4.19Å; F179-Q183 PolarHBondContact O-N 3.38Å; F179-Q183 VanDerWaalsContact O-N 3.07Å; R180-Q183 PolarHBondContact O-N 3.49Å; Q183-L185 VanDerWaalsContact C-N 3.32Å; Q183-L185 PolarHBondContact O-N 3.38Å; Q183-I186 PolarHBondContact O-N 2.88Å; Q183-E187 WeakPolarHBondContact O-CG 3.47Å; Q183-E187 PolarHBondContact O-N 3.11Å; Q183-T229 HydrophobicContact CG-CG2 4.36Å |
| 184 | D | 94.1 | Very high | 94.7 | Very high | 34 Ų | 34 | 35.8 Ų | 35.8 | 18% | 0.182 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61 | -39.6 | 177.2 | -79.1 | -10.2 | 0 | 0 | 0 | 112.3 | R147 R180 E182 D188 | R147-D184 VanDerWaalsContact CD-CG 3.46Å; R147-D184 WeakPolarHBondContact CD-OD1 3.37Å; R147-D184 VanDerWaalsContact CD-OD2 3.32Å; R147-D184 WeakPolarHBondContact CD-OD2 3.34Å; R147-D184 IonicContact CZ-OD1 2.77Å; R147-D184 IonicContact NE-OD1 3.95Å; R147-D184 PolarHBondContact NE-OD1 2.94Å; R147-D184 IonicContact NE-OD2 3.73Å; R147-D184 PolarHBondContact NH2-O 3.37Å; R180-D184 IonicContact NH2-OD1 2.87Å; R180-D184 WeakPolarHBondContact O-CB 3.41Å; R180-D184 PolarHBondContact O-N 3.13Å; E182-D184 VanDerWaalsContact C-N 3.33Å; E182-D184 PolarHBondContact O-N 3.21Å; D184-D188 WeakPolarHBondContact O-CB 3.29Å; D184-D188 PolarHBondContact O-N 2.92Å |
| 185 | L | 94.8 | Very high | 94.6 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.026 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.1 | -48.7 | 175.2 | 172.9 | 65.6 | 0 | 0 | 0 | 111.1 | G181 E182 Q183 E187 D188 L189 H225 I306 R310 | G181-L185 WeakPolarHBondContact O-CB 3.5Å; G181-L185 PolarHBondContact O-N 3.01Å; E182-L185 WeakPolarHBondContact O-CB 3.09Å; E182-L185 PolarHBondContact O-N 2.85Å; Q183-L185 VanDerWaalsContact C-N 3.32Å; Q183-L185 PolarHBondContact O-N 3.38Å; L185-E187 VanDerWaalsContact C-N 3.33Å; L185-E187 PolarHBondContact O-N 3.06Å; L185-D188 PolarHBondContact O-N 3.2Å; L185-D188 VanDerWaalsContact O-N 3.15Å; L185-L189 HydrophobicContact CD1-CD1 3.95Å; L185-L189 HydrophobicContact CD1-CD2 4.42Å; L185-L189 HydrophobicContact CD1-CG 3.92Å; L185-L189 HydrophobicContact CD2-CD1 4.45Å; L185-L189 HydrophobicContact CG-CD1 3.93Å; L185-L189 HydrophobicContact CG-CG 4.28Å; L185-L189 WeakPolarHBondContact O-CG 3.5Å; L185-L189 PolarHBondContact O-N 2.88Å; L185-H225 WeakPolarHBondContact CD2-CE1 3.38Å; L185-H225 WeakPolarHBondContact CD2-ND1 3.2Å; L185-H225 WeakPolarHBondContact CD2-NE2 3.41Å; L185-I306 HydrophobicContact CD1-CG2 3.41Å; L185-I306 VanDerWaalsContact CD1-CG2 3.41Å; L185-R310 HydrophobicContact CD2-CB 4.49Å; L185-R310 HydrophobicContact CD2-CG 4.03Å |
| 186 | I | 95.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 36.3 Ų | 36.3 | 8% | 0.077 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.2 | -47.8 | 179.7 | -68.4 | 158.8 | 0 | 0 | 0 | 110 | E182 Q183 D188 L189 Q190 I222 H225 E226 T229 | E182-I186 WeakPolarHBondContact O-CD1 3.48Å; E182-I186 VanDerWaalsContact O-CG1 3.25Å; E182-I186 WeakPolarHBondContact O-CG1 3.38Å; E182-I186 PolarHBondContact O-N 2.97Å; Q183-I186 PolarHBondContact O-N 2.88Å; I186-D188 VanDerWaalsContact C-N 3.31Å; I186-D188 PolarHBondContact O-N 3.45Å; I186-L189 PolarHBondContact O-N 3.23Å; I186-Q190 HydrophobicContact CG2-CG 4.38Å; I186-Q190 WeakPolarHBondContact O-CB 3.42Å; I186-Q190 VanDerWaalsContact O-CG 3.26Å; I186-Q190 WeakPolarHBondContact O-CG 3.38Å; I186-Q190 PolarHBondContact O-N 2.91Å; I186-I222 HydrophobicContact CG2-CG2 4.23Å; I186-H225 HydrophobicContact CD1-CB 3.91Å; I186-H225 HydrophobicContact CG1-CB 3.59Å; I186-E226 HydrophobicContact CD1-CB 4.49Å; I186-E226 HydrophobicContact CD1-CG 3.85Å; I186-E226 HydrophobicContact CG1-CG 4.25Å; I186-E226 HydrophobicContact CG2-CG 4.14Å; I186-T229 HydrophobicContact CD1-CG2 3.86Å |
| 187 | E | 93.8 | Very high | 94.6 | Very high | 105 Ų | 105 | 35.4 Ų | 35.4 | 49% | 0.491 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -57.5 | -43.5 | 176.1 | -74.5 | -178.2 | -178.6 | 0 | 0 | 111.9 | Q183 L185 L191 | Q183-E187 WeakPolarHBondContact O-CG 3.47Å; Q183-E187 PolarHBondContact O-N 3.11Å; L185-E187 VanDerWaalsContact C-N 3.33Å; L185-E187 PolarHBondContact O-N 3.06Å; E187-L191 VanDerWaalsContact O-CB 3.26Å; E187-L191 WeakPolarHBondContact O-CB 3.31Å; E187-L191 PolarHBondContact O-N 3.47Å |
| 188 | D | 93.4 | Very high | 94.6 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 5% | 0.053 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69 | -39.2 | -179.9 | -80.7 | -21.9 | 0 | 0 | 0 | 113.2 | R147 D184 L185 I186 L191 A192 R296 F303 I306 | R147-D188 IonicContact CZ-OD1 3.96Å; R147-D188 IonicContact CZ-OD2 3.79Å; R147-D188 VanDerWaalsContact CZ-OD2 3.25Å; R147-D188 IonicContact NH1-OD1 2.83Å; R147-D188 IonicContact NH1-OD2 2.69Å; R147-D188 PolarHBondContact NH1-OD2 2.82Å; R147-D188 IonicContact NH2-OD1 3.43Å; R147-D188 PolarHBondContact NH2-OD1 3.3Å; R147-D188 IonicContact NH2-OD2 2.78Å; R147-D188 PolarHBondContact NH2-OD2 2.76Å; D184-D188 WeakPolarHBondContact O-CB 3.29Å; D184-D188 PolarHBondContact O-N 2.92Å; L185-D188 PolarHBondContact O-N 3.2Å; L185-D188 VanDerWaalsContact O-N 3.15Å; I186-D188 VanDerWaalsContact C-N 3.31Å; I186-D188 PolarHBondContact O-N 3.45Å; D188-L191 PolarHBondContact O-N 2.88Å; D188-A192 WeakPolarHBondContact O-CB 3.42Å; D188-A192 PolarHBondContact O-N 3.37Å; D188-R296 IonicContact OD1-CZ 3.49Å; D188-R296 IonicContact OD1-NH2 2.66Å; D188-R296 PolarHBondContact OD1-NH2 3.16Å; D188-R296 IonicContact OD2-NH2 3.45Å; D188-R296 PolarHBondContact OD2-NH2 3.06Å; D188-R296 VanDerWaalsContact OD2-NH2 3.13Å; D188-F303 HydrophobicContact CB-CD1 4.39Å; D188-F303 HydrophobicContact CB-CE1 4.46Å; D188-I306 HydrophobicContact CB-CD1 3.6Å |
| 189 | L | 93.2 | Very high | 94.6 | Very high | 4 Ų | 4 | 36.2 Ų | 36.2 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.4 | -43.2 | 175.2 | -69.6 | 177.4 | 0 | 0 | 0 | 111.3 | L185 I186 L191 A192 R193 L218 I222 P307 | L185-L189 HydrophobicContact CD1-CD1 3.95Å; L185-L189 HydrophobicContact CD1-CD2 4.42Å; L185-L189 HydrophobicContact CD1-CG 3.92Å; L185-L189 HydrophobicContact CD2-CD1 4.45Å; L185-L189 HydrophobicContact CG-CD1 3.93Å; L185-L189 HydrophobicContact CG-CG 4.28Å; L185-L189 WeakPolarHBondContact O-CG 3.5Å; L185-L189 PolarHBondContact O-N 2.88Å; I186-L189 PolarHBondContact O-N 3.23Å; L189-L191 VanDerWaalsContact C-N 3.3Å; L189-L191 PolarHBondContact O-N 3.26Å; L189-A192 PolarHBondContact O-N 3Å; L189-R193 PolarHBondContact O-N 3.04Å; L189-L218 HydrophobicContact CD2-CD2 4.31Å; L189-I222 HydrophobicContact CB-CD1 4.03Å; L189-I222 HydrophobicContact CB-CG1 3.68Å; L189-I222 HydrophobicContact CD1-CG1 4.1Å; L189-P307 HydrophobicContact CD2-CG 4.04Å |
| 190 | Q | 93.5 | Very high | 94.6 | Very high | 58 Ų | 58 | 34.5 Ų | 34.5 | 27% | 0.271 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -63.4 | -38.3 | 174.8 | -72.4 | -178.6 | 6 | 0 | 0 | 111.5 | I186 R193 K194 I222 E226 | I186-Q190 HydrophobicContact CG2-CG 4.38Å; I186-Q190 WeakPolarHBondContact O-CB 3.42Å; I186-Q190 VanDerWaalsContact O-CG 3.26Å; I186-Q190 WeakPolarHBondContact O-CG 3.38Å; I186-Q190 PolarHBondContact O-N 2.91Å; Q190-R193 PolarHBondContact O-N 2.89Å; Q190-K194 WeakPolarHBondContact O-CB 3.41Å; Q190-K194 WeakPolarHBondContact O-CG 3.4Å; Q190-K194 PolarHBondContact O-N 3.27Å; Q190-I222 HydrophobicContact CG-CD1 3.83Å; Q190-I222 HydrophobicContact CG-CG2 4.42Å; Q190-E226 PolarHBondContact NE2-OE1 2.66Å |
| 191 | L | 93.1 | Very high | 94.7 | Very high | 42 Ų | 42 | 34.1 Ų | 34.1 | 22% | 0.22 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.5 | -45.7 | 175.4 | -178.2 | 65.7 | 0 | 0 | 0 | 111.5 | E187 D188 L189 R193 K194 A195 F294 F303 | E187-L191 VanDerWaalsContact O-CB 3.26Å; E187-L191 WeakPolarHBondContact O-CB 3.31Å; E187-L191 PolarHBondContact O-N 3.47Å; D188-L191 PolarHBondContact O-N 2.88Å; L189-L191 VanDerWaalsContact C-N 3.3Å; L189-L191 PolarHBondContact O-N 3.26Å; L191-R193 PolarHBondContact O-N 3.15Å; L191-K194 PolarHBondContact O-N 3.43Å; L191-A195 HydrophobicContact CD1-CB 3.72Å; L191-A195 HydrophobicContact CG-CB 4.33Å; L191-A195 VanDerWaalsContact O-CB 3.25Å; L191-A195 WeakPolarHBondContact O-CB 3.43Å; L191-A195 PolarHBondContact O-N 3.19Å; L191-F294 HydrophobicContact CD1-CB 4.04Å; L191-F294 HydrophobicContact CD1-CD2 3.86Å; L191-F294 HydrophobicContact CD1-CG 4.18Å; L191-F294 HydrophobicContact CD2-CB 4.5Å; L191-F294 HydrophobicContact CD2-CD2 4.26Å; L191-F294 WeakPolarHBondContact CD2-O 3.31Å; L191-F294 HydrophobicContact CG-CD2 4.32Å; L191-F303 HydrophobicContact CD2-CE1 3.77Å; L191-F303 HydrophobicContact CD2-CZ 3.83Å; L191-F303 HydrophobicContact CG-CE1 4.5Å |
| 192 | A | 93.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.033 | 20% | 0.199 | C | C | . | . | I | π-helix | trans | -54.7 | -40.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | D188 L189 Y196 H197 F303 | D188-A192 WeakPolarHBondContact O-CB 3.42Å; D188-A192 PolarHBondContact O-N 3.37Å; L189-A192 PolarHBondContact O-N 3Å; A192-Y196 VanDerWaalsContact O-CB 3.3Å; A192-Y196 WeakPolarHBondContact O-CB 3.31Å; A192-Y196 PolarHBondContact O-N 3.15Å; A192-H197 PolarHBondContact O-N 2.89Å; A192-H197 VanDerWaalsContact O-N 3.13Å; A192-F303 HydrophobicContact CB-CB 4.31Å |
| 193 | R | 92.6 | Very high | 94.9 | Very high | 50 Ų | 50 | 46.7 Ų | 46.7 | 19% | 0.189 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -67.1 | -61.1 | 174 | -171 | -177.8 | -60 | -173.7 | -4.1 | 112.9 | L189 Q190 L191 A195 H197 D198 L218 D219 | L189-R193 PolarHBondContact O-N 3.04Å; Q190-R193 PolarHBondContact O-N 2.89Å; L191-R193 PolarHBondContact O-N 3.15Å; R193-A195 PolarHBondContact O-N 3.25Å; R193-H197 HydrophobicContact CG-CB 4.49Å; R193-H197 WeakPolarHBondContact O-CB 3.35Å; R193-H197 PolarHBondContact O-N 3.02Å; R193-H197 VanDerWaalsContact O-N 3.13Å; R193-D198 PolarHBondContact O-N 2.86Å; R193-L218 HydrophobicContact CB-CD1 3.85Å; R193-L218 HydrophobicContact CG-CD1 4.3Å; R193-L218 VanDerWaalsContact NH2-CB 3.35Å; R193-L218 PolarHBondContact NH2-O 3.37Å; R193-D219 IonicContact CZ-OD1 3.01Å; R193-D219 IonicContact NH1-OD1 2.6Å; R193-D219 PolarHBondContact NH1-OD1 3.45Å; R193-D219 IonicContact NH1-OD2 4Å; R193-D219 VanDerWaalsContact NH2-CG 3.27Å; R193-D219 IonicContact NH2-OD1 2.74Å; R193-D219 PolarHBondContact NH2-OD1 2.88Å; R193-D219 IonicContact NH2-OD2 3.87Å |
| 194 | K | 94.3 | Very high | 94.9 | Very high | 134 Ų | 134 | 48 Ų | 48 | 58% | 0.583 | 24% | 0.242 | S | C | * | . | I | π-helix | trans | -70.4 | -31.6 | -167.9 | -70 | 174.7 | -179.9 | 170.7 | 0 | 113.2 | Q190 L191 P199 | Q190-K194 WeakPolarHBondContact O-CB 3.41Å; Q190-K194 WeakPolarHBondContact O-CG 3.4Å; Q190-K194 PolarHBondContact O-N 3.27Å; L191-K194 PolarHBondContact O-N 3.43Å; K194-P199 VanDerWaalsContact O-CD 3.29Å; K194-P199 WeakPolarHBondContact O-CD 3.24Å; K194-P199 WeakPolarHBondContact O-CG 3.43Å |
| 195 | A | 94.9 | Very high | 95 | Very high | 18 Ų | 18 | 47.1 Ų | 47.1 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -100.4 | -19.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L191 R193 F294 | L191-A195 HydrophobicContact CD1-CB 3.72Å; L191-A195 HydrophobicContact CG-CB 4.33Å; L191-A195 VanDerWaalsContact O-CB 3.25Å; L191-A195 WeakPolarHBondContact O-CB 3.43Å; L191-A195 PolarHBondContact O-N 3.19Å; R193-A195 PolarHBondContact O-N 3.25Å; A195-F294 HydrophobicContact CB-CD2 3.98Å; A195-F294 HydrophobicContact CB-CE2 3.63Å; A195-F294 HydrophobicContact CB-CZ 3.94Å |
| 196 | Y | 95.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.008 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -118.4 | -62.9 | 179.1 | -59.9 | -97.7 | 0 | 0 | 0 | 112 | A192 P199 M200 F285 L286 C289 F294 L300 F303 | A192-Y196 VanDerWaalsContact O-CB 3.3Å; A192-Y196 WeakPolarHBondContact O-CB 3.31Å; A192-Y196 PolarHBondContact O-N 3.15Å; Y196-P199 WeakPolarHBondContact O-CD 3.4Å; Y196-M200 WeakPolarHBondContact O-CB 3.48Å; Y196-M200 WeakPolarHBondContact O-CE 3.47Å; Y196-M200 VanDerWaalsContact O-CG 3.22Å; Y196-M200 WeakPolarHBondContact O-CG 3.38Å; Y196-M200 PolarHBondContact O-N 3.13Å; Y196-M200 VanDerWaalsContact O-N 3.15Å; Y196-F285 HydrophobicContact CD1-CE1 4.36Å; Y196-L286 HydrophobicContact CD1-CD2 4.33Å; Y196-C289 HydrophobicContact CD1-CB 4.31Å; Y196-C289 HydrophobicContact CE1-CB 3.56Å; Y196-F294 AromaticContact CE2-CE2 3.87Å; Y196-F294 HydrophobicContact CE2-CE2 3.87Å; Y196-F294 AromaticContact CZ-CE2 3.95Å; Y196-L300 HydrophobicContact CD1-CB 4.09Å; Y196-L300 HydrophobicContact CD1-CD1 3.76Å; Y196-L300 HydrophobicContact CD1-CG 4.33Å; Y196-L300 HydrophobicContact CD2-CD1 4.41Å; Y196-L300 HydrophobicContact CE1-CB 4.06Å; Y196-L300 HydrophobicContact CE1-CD1 4.33Å; Y196-L300 HydrophobicContact CG-CD1 3.79Å; Y196-F303 HydrophobicContact CE2-CD2 4.03Å; Y196-F303 HydrophobicContact CE2-CE2 4.05Å; Y196-F303 WeakPolarHBondContact OH-CE2 3.36Å |
| 197 | H | 95.8 | Very high | 95.1 | Very high | 27 Ų | 27 | 49.6 Ų | 49.6 | 13% | 0.125 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -58.2 | -59.3 | -175.7 | 175.8 | -85.8 | 0 | 0 | 0 | 112.7 | A192 R193 M200 L201 F215 | A192-H197 PolarHBondContact O-N 2.89Å; A192-H197 VanDerWaalsContact O-N 3.13Å; R193-H197 HydrophobicContact CG-CB 4.49Å; R193-H197 WeakPolarHBondContact O-CB 3.35Å; R193-H197 PolarHBondContact O-N 3.02Å; R193-H197 VanDerWaalsContact O-N 3.13Å; H197-M200 PolarHBondContact O-N 3.2Å; H197-L201 PolarHBondContact O-N 3.42Å; H197-F215 HydrophobicContact CB-CD1 4.12Å; H197-F215 HydrophobicContact CB-CD2 4.32Å; H197-F215 HydrophobicContact CB-CE1 4.05Å; H197-F215 HydrophobicContact CB-CE2 4.29Å; H197-F215 HydrophobicContact CB-CG 4.24Å; H197-F215 HydrophobicContact CB-CZ 4.14Å; H197-F215 AromaticContact CD2-CD2 3.89Å; H197-F215 AromaticContact CD2-CG 3.98Å |
| 198 | D | 95.6 | Very high | 95.2 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 23% | 0.225 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | -171.9 | -56.9 | -15.1 | 0 | 0 | 0 | 112.8 | R193 L201 K202 | R193-D198 PolarHBondContact O-N 2.86Å; D198-L201 PolarHBondContact O-N 3.27Å; D198-K202 WeakPolarHBondContact O-CB 3.48Å; D198-K202 VanDerWaalsContact O-CG 3.22Å; D198-K202 WeakPolarHBondContact O-CG 3.25Å; D198-K202 PolarHBondContact O-N 3.05Å |
| 199 | P | 96.8 | Very high | 95.2 | Very high | 34 Ų | 34 | 56.8 Ų | 56.8 | 22% | 0.221 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 175.5 | -23.6 | 36.6 | 0 | 0 | 0 | 112.5 | K194 Y196 L201 K202 L203 F285 | K194-P199 VanDerWaalsContact O-CD 3.29Å; K194-P199 WeakPolarHBondContact O-CD 3.24Å; K194-P199 WeakPolarHBondContact O-CG 3.43Å; Y196-P199 WeakPolarHBondContact O-CD 3.4Å; P199-L201 VanDerWaalsContact C-N 3.3Å; P199-L201 PolarHBondContact O-N 2.62Å; P199-K202 PolarHBondContact O-N 3.28Å; P199-L203 VanDerWaalsContact O-CB 3.22Å; P199-L203 WeakPolarHBondContact O-CB 3.41Å; P199-L203 VanDerWaalsContact O-CG 3.24Å; P199-L203 WeakPolarHBondContact O-CG 3.42Å; P199-L203 PolarHBondContact O-N 2.87Å; P199-F285 HydrophobicContact CB-CE2 3.76Å; P199-F285 HydrophobicContact CB-CZ 3.83Å; P199-F285 HydrophobicContact CG-CZ 4.47Å |
| 200 | M | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65 | -36 | 177.4 | -73.8 | -171.4 | -67.5 | 0 | 0 | 112.3 | Y196 H197 S204 I205 M206 L211 F215 F285 L300 | Y196-M200 WeakPolarHBondContact O-CB 3.48Å; Y196-M200 WeakPolarHBondContact O-CE 3.47Å; Y196-M200 VanDerWaalsContact O-CG 3.22Å; Y196-M200 WeakPolarHBondContact O-CG 3.38Å; Y196-M200 PolarHBondContact O-N 3.13Å; Y196-M200 VanDerWaalsContact O-N 3.15Å; H197-M200 PolarHBondContact O-N 3.2Å; M200-S204 PolarHBondContact O-N 3.25Å; M200-I205 HydrophobicContact CB-CB 4.22Å; M200-I205 HydrophobicContact CG-CB 4.27Å; M200-I205 HydrophobicContact CG-CD1 4.32Å; M200-I205 HydrophobicContact CG-CG2 4.22Å; M200-I205 PolarHBondContact O-N 2.94Å; M200-M206 HydrophobicContact CE-CE 3.6Å; M200-M206 PolarHBondContact O-N 3.27Å; M200-M206 HydrophobicContact SD-CE 3.24Å; M200-M206 WeakPolarHBondContact SD-CE 3.38Å; M200-L211 HydrophobicContact CB-CD1 4.27Å; M200-L211 HydrophobicContact CB-CD2 4.05Å; M200-L211 HydrophobicContact CE-CD2 3.85Å; M200-F215 HydrophobicContact CE-CE2 3.6Å; M200-F215 HydrophobicContact CE-CZ 3.54Å; M200-F285 HydrophobicContact CE-CE1 4.33Å; M200-F285 HydrophobicContact CG-CD1 3.57Å; M200-F285 HydrophobicContact CG-CE1 3.33Å; M200-F285 HydrophobicContact CG-CE2 4.33Å; M200-F285 HydrophobicContact CG-CG 4.19Å; M200-F285 HydrophobicContact CG-CZ 3.75Å; M200-F285 HydrophobicContact SD-CD1 3.73Å; M200-F285 HydrophobicContact SD-CE1 3.7Å; M200-L300 HydrophobicContact CE-CD2 4.17Å |
| 201 | L | 96.7 | Very high | 95.4 | Very high | 60 Ų | 60 | 55.8 Ų | 55.8 | 31% | 0.314 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.2 | -53.8 | 173.8 | -176.2 | 62 | 0 | 0 | 0 | 111.4 | H197 D198 P199 L203 S204 Q208 L211 | H197-L201 PolarHBondContact O-N 3.42Å; D198-L201 PolarHBondContact O-N 3.27Å; P199-L201 VanDerWaalsContact C-N 3.3Å; P199-L201 PolarHBondContact O-N 2.62Å; L201-L203 VanDerWaalsContact C-N 3.29Å; L201-L203 PolarHBondContact O-N 2.89Å; L201-S204 PolarHBondContact O-N 2.86Å; L201-Q208 HydrophobicContact CD1-CB 4.11Å; L201-Q208 VanDerWaalsContact CD1-OE1 3.24Å; L201-L211 HydrophobicContact CB-CD1 3.57Å; L201-L211 HydrophobicContact CD1-CD1 4.1Å; L201-L211 HydrophobicContact CG-CD1 4.39Å |
| 202 | K | 97.3 | Very high | 95.4 | Very high | 165 Ų | 165 | 56 Ų | 56 | 72% | 0.717 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.9 | -37.3 | -176.8 | -73.2 | 170.7 | -176.3 | 172.5 | 0 | 112.7 | D198 P199 S204 | D198-K202 WeakPolarHBondContact O-CB 3.48Å; D198-K202 VanDerWaalsContact O-CG 3.22Å; D198-K202 WeakPolarHBondContact O-CG 3.25Å; D198-K202 PolarHBondContact O-N 3.05Å; P199-K202 PolarHBondContact O-N 3.28Å; K202-S204 VanDerWaalsContact C-N 3.27Å |
| 203 | L | 96.6 | Very high | 95.3 | Very high | 113 Ų | 113 | 59.1 Ų | 59.1 | 59% | 0.592 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 3.6 | 178.4 | -61.2 | 174.3 | 0 | 0 | 0 | 113 | P199 L201 I205 | P199-L203 VanDerWaalsContact O-CB 3.22Å; P199-L203 WeakPolarHBondContact O-CB 3.41Å; P199-L203 VanDerWaalsContact O-CG 3.24Å; P199-L203 WeakPolarHBondContact O-CG 3.42Å; P199-L203 PolarHBondContact O-N 2.87Å; L201-L203 VanDerWaalsContact C-N 3.29Å; L201-L203 PolarHBondContact O-N 2.89Å; L203-I205 HydrophobicContact CB-CD1 3.84Å; L203-I205 HydrophobicContact CB-CG1 3.88Å; L203-I205 HydrophobicContact CD1-CD1 3.98Å; L203-I205 PolarHBondContact O-N 2.98Å |
| 204 | S | 96.2 | Very high | 95.4 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 59% | 0.594 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 38.9 | -178 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | M200 L201 K202 R281 | M200-S204 PolarHBondContact O-N 3.25Å; L201-S204 PolarHBondContact O-N 2.86Å; K202-S204 VanDerWaalsContact C-N 3.27Å; S204-R281 PolarHBondContact O-NH1 3.39Å |
| 205 | I | 96.4 | Very high | 95.3 | Very high | 16 Ų | 16 | 50.5 Ų | 50.5 | 8% | 0.082 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -76.7 | -40.1 | 175.1 | -67.1 | 168.1 | 0 | 0 | 0 | 109.4 | M200 L203 V282 F285 | M200-I205 HydrophobicContact CB-CB 4.22Å; M200-I205 HydrophobicContact CG-CB 4.27Å; M200-I205 HydrophobicContact CG-CD1 4.32Å; M200-I205 HydrophobicContact CG-CG2 4.22Å; M200-I205 PolarHBondContact O-N 2.94Å; L203-I205 HydrophobicContact CB-CD1 3.84Å; L203-I205 HydrophobicContact CB-CG1 3.88Å; L203-I205 HydrophobicContact CD1-CD1 3.98Å; L203-I205 PolarHBondContact O-N 2.98Å; I205-V282 HydrophobicContact CG2-CB 4.35Å; I205-V282 HydrophobicContact CG2-CG2 3.68Å; I205-F285 HydrophobicContact CD1-CB 3.79Å; I205-F285 HydrophobicContact CD1-CD2 3.46Å; I205-F285 VanDerWaalsContact CD1-CD2 3.46Å; I205-F285 HydrophobicContact CD1-CE2 4.2Å; I205-F285 HydrophobicContact CD1-CG 3.67Å |
| 206 | M | 96.2 | Very high | 94.9 | Very high | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.03 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -134.4 | 156 | 171.2 | -73.9 | -166.9 | -77.9 | 0 | 0 | 109.9 | M200 E210 L211 I214 K276 V282 | M200-M206 HydrophobicContact CE-CE 3.6Å; M200-M206 PolarHBondContact O-N 3.27Å; M200-M206 HydrophobicContact SD-CE 3.24Å; M200-M206 WeakPolarHBondContact SD-CE 3.38Å; M206-E210 WeakPolarHBondContact CA-OE2 3.38Å; M206-E210 HydrophobicContact CB-CB 4.25Å; M206-L211 HydrophobicContact CB-CD1 4.43Å; M206-L211 HydrophobicContact CB-CD2 4.1Å; M206-L211 HydrophobicContact CB-CG 3.91Å; M206-L211 HydrophobicContact CE-CD2 3.61Å; M206-I214 HydrophobicContact CE-CD1 4Å; M206-I214 HydrophobicContact SD-CD1 3.69Å; M206-K276 HydrophobicContact CG-CD 4.42Å; M206-K276 HydrophobicContact SD-CB 4.12Å; M206-K276 HydrophobicContact SD-CD 4.35Å; M206-K276 HydrophobicContact SD-CG 3.95Å; M206-V282 HydrophobicContact CG-CG2 4.22Å |
| 207 | T | 96.1 | Very high | 94.3 | Very high | 66 Ų | 66 | 55 Ų | 55 | 41% | 0.405 | 30% | 0.296 | S | S | . | . | trans | -75.9 | 163.5 | 178.1 | 70.1 | 0 | 0 | 0 | 0 | 111.5 | E209 E210 L211 | T207-E209 VanDerWaalsContact C-N 3.26Å; T207-E209 PolarHBondContact O-N 3.45Å; T207-E210 PolarHBondContact N-OE2 3.36Å; T207-E210 VanDerWaalsContact N-OE2 3.08Å; T207-E210 PolarHBondContact O-N 2.98Å; T207-E210 WeakPolarHBondContact OG1-CB 3.45Å; T207-E210 VanDerWaalsContact OG1-CD 3.26Å; T207-E210 WeakPolarHBondContact OG1-CG 3.32Å; T207-E210 PolarHBondContact OG1-N 3.03Å; T207-L211 WeakPolarHBondContact O-CB 3.47Å; T207-L211 WeakPolarHBondContact O-CG 3.47Å; T207-L211 PolarHBondContact O-N 2.67Å | ||
| 208 | Q | 94.8 | Very high | 93.4 | Very high | 102 Ų | 102 | 54.2 Ų | 54.2 | 48% | 0.477 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.2 | -40.9 | 174 | -178.6 | 61.7 | 29.5 | 0 | 0 | 111.9 | L201 L211 A212 | L201-Q208 HydrophobicContact CD1-CB 4.11Å; L201-Q208 VanDerWaalsContact CD1-OE1 3.24Å; Q208-L211 PolarHBondContact O-N 3.5Å; Q208-A212 VanDerWaalsContact O-CB 3.29Å; Q208-A212 WeakPolarHBondContact O-CB 3.43Å; Q208-A212 PolarHBondContact O-N 3.43Å |
| 209 | E | 95 | Very high | 92.4 | Very high | 164 Ų | 164 | 57.3 Ų | 57.3 | 77% | 0.766 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.3 | -42.9 | 179.2 | -64.7 | 176.5 | -174.5 | 0 | 0 | 111.7 | T207 A212 H213 | T207-E209 VanDerWaalsContact C-N 3.26Å; T207-E209 PolarHBondContact O-N 3.45Å; E209-A212 PolarHBondContact O-N 3.22Å; E209-H213 WeakPolarHBondContact O-CB 3.47Å; E209-H213 PolarHBondContact O-N 2.91Å |
| 210 | E | 95.1 | Very high | 91.7 | Very high | 42 Ų | 42 | 57.7 Ų | 57.7 | 20% | 0.196 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 177.8 | -70.9 | 164.2 | 176.7 | 0 | 0 | 111.6 | M206 T207 H213 I214 L272 K276 | M206-E210 WeakPolarHBondContact CA-OE2 3.38Å; M206-E210 HydrophobicContact CB-CB 4.25Å; T207-E210 PolarHBondContact N-OE2 3.36Å; T207-E210 VanDerWaalsContact N-OE2 3.08Å; T207-E210 PolarHBondContact O-N 2.98Å; T207-E210 WeakPolarHBondContact OG1-CB 3.45Å; T207-E210 VanDerWaalsContact OG1-CD 3.26Å; T207-E210 WeakPolarHBondContact OG1-CG 3.32Å; T207-E210 PolarHBondContact OG1-N 3.03Å; E210-H213 PolarHBondContact O-N 3.39Å; E210-I214 WeakPolarHBondContact O-CG1 3.21Å; E210-I214 PolarHBondContact O-N 3.43Å; E210-L272 HydrophobicContact CB-CD2 4.19Å; E210-L272 HydrophobicContact CG-CD2 4.3Å; E210-K276 WeakPolarHBondContact OE1-CE 3.32Å; E210-K276 IonicContact OE1-NZ 2.66Å; E210-K276 PolarHBondContact OE1-NZ 3.31Å; E210-K276 VanDerWaalsContact OE2-CE 3.26Å; E210-K276 WeakPolarHBondContact OE2-CE 3.23Å; E210-K276 IonicContact OE2-NZ 3.26Å; E210-K276 PolarHBondContact OE2-NZ 2.89Å |
| 211 | L | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.2 | -42.7 | 177.6 | -73.3 | 173.1 | 0 | 0 | 0 | 111.9 | M200 L201 M206 T207 Q208 H213 I214 F215 | M200-L211 HydrophobicContact CB-CD1 4.27Å; M200-L211 HydrophobicContact CB-CD2 4.05Å; M200-L211 HydrophobicContact CE-CD2 3.85Å; L201-L211 HydrophobicContact CB-CD1 3.57Å; L201-L211 HydrophobicContact CD1-CD1 4.1Å; L201-L211 HydrophobicContact CG-CD1 4.39Å; M206-L211 HydrophobicContact CB-CD1 4.43Å; M206-L211 HydrophobicContact CB-CD2 4.1Å; M206-L211 HydrophobicContact CB-CG 3.91Å; M206-L211 HydrophobicContact CE-CD2 3.61Å; T207-L211 WeakPolarHBondContact O-CB 3.47Å; T207-L211 WeakPolarHBondContact O-CG 3.47Å; T207-L211 PolarHBondContact O-N 2.67Å; Q208-L211 PolarHBondContact O-N 3.5Å; L211-H213 PolarHBondContact O-N 2.91Å; L211-I214 PolarHBondContact O-N 2.84Å; L211-F215 HydrophobicContact CB-CD2 4.49Å; L211-F215 HydrophobicContact CD2-CD2 3.88Å; L211-F215 HydrophobicContact CD2-CE2 3.55Å; L211-F215 WeakPolarHBondContact O-CB 3.22Å; L211-F215 WeakPolarHBondContact O-CD2 3.3Å; L211-F215 PolarHBondContact O-N 2.95Å |
| 212 | A | 92.6 | Very high | 91 | Very high | 47 Ų | 47 | 55.7 Ų | 55.7 | 39% | 0.388 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60 | -38.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q208 E209 G216 | Q208-A212 VanDerWaalsContact O-CB 3.29Å; Q208-A212 WeakPolarHBondContact O-CB 3.43Å; Q208-A212 PolarHBondContact O-N 3.43Å; E209-A212 PolarHBondContact O-N 3.22Å; A212-G216 VanDerWaalsContact O-CA 3.32Å; A212-G216 WeakPolarHBondContact O-CA 3.5Å; A212-G216 PolarHBondContact O-N 3.22Å |
| 213 | H | 92.4 | Very high | 90.9 | Very high | 68 Ų | 68 | 51.1 Ų | 51.1 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.1 | -33.6 | 176.4 | -167 | 71.2 | 0 | 0 | 0 | 113.3 | E209 E210 L211 N265 A268 A269 L272 | E209-H213 WeakPolarHBondContact O-CB 3.47Å; E209-H213 PolarHBondContact O-N 2.91Å; E210-H213 PolarHBondContact O-N 3.39Å; L211-H213 PolarHBondContact O-N 2.91Å; H213-N265 PolarHBondContact CE1-OD1 3.42Å; H213-N265 VanDerWaalsContact CE1-OD1 3.22Å; H213-N265 PolarHBondContact O-ND2 3.45Å; H213-A268 WeakPolarHBondContact NE2-CB 3.32Å; H213-A269 WeakPolarHBondContact O-CB 3.28Å; H213-L272 HydrophobicContact CB-CD2 3.98Å |
| 214 | I | 94 | Very high | 90.8 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -84.6 | -46.2 | -179.2 | -68.1 | 168.2 | 0 | 0 | 0 | 112.2 | M206 E210 L211 L272 L273 L304 | M206-I214 HydrophobicContact CE-CD1 4Å; M206-I214 HydrophobicContact SD-CD1 3.69Å; E210-I214 WeakPolarHBondContact O-CG1 3.21Å; E210-I214 PolarHBondContact O-N 3.43Å; L211-I214 PolarHBondContact O-N 2.84Å; I214-L272 HydrophobicContact CD1-CD2 4.18Å; I214-L272 HydrophobicContact CD1-CG 4.19Å; I214-L272 HydrophobicContact CG1-CB 4.46Å; I214-L272 HydrophobicContact CG1-CD2 4Å; I214-L272 HydrophobicContact CG1-CG 4.28Å; I214-L273 HydrophobicContact CD1-CB 4.35Å; I214-L273 HydrophobicContact CD1-CD1 4.46Å; I214-L304 HydrophobicContact CG2-CD1 3.53Å; I214-L304 HydrophobicContact CG2-CD2 4.43Å |
| 215 | F | 91.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -92 | -16.2 | -171.8 | -71.7 | -93.9 | 0 | 0 | 0 | 113.4 | H197 M200 L211 L218 Y262 L300 L304 | H197-F215 HydrophobicContact CB-CD1 4.12Å; H197-F215 HydrophobicContact CB-CD2 4.32Å; H197-F215 HydrophobicContact CB-CE1 4.05Å; H197-F215 HydrophobicContact CB-CE2 4.29Å; H197-F215 HydrophobicContact CB-CG 4.24Å; H197-F215 HydrophobicContact CB-CZ 4.14Å; H197-F215 AromaticContact CD2-CD2 3.89Å; H197-F215 AromaticContact CD2-CG 3.98Å; M200-F215 HydrophobicContact CE-CE2 3.6Å; M200-F215 HydrophobicContact CE-CZ 3.54Å; L211-F215 HydrophobicContact CB-CD2 4.49Å; L211-F215 HydrophobicContact CD2-CD2 3.88Å; L211-F215 HydrophobicContact CD2-CE2 3.55Å; L211-F215 WeakPolarHBondContact O-CB 3.22Å; L211-F215 WeakPolarHBondContact O-CD2 3.3Å; L211-F215 PolarHBondContact O-N 2.95Å; F215-L218 HydrophobicContact CB-CD1 4.18Å; F215-L218 HydrophobicContact CB-CG 4.3Å; F215-L218 HydrophobicContact CD1-CD1 4.01Å; F215-Y262 WeakPolarHBondContact O-CE2 3.38Å; F215-L300 HydrophobicContact CE1-CD1 3.78Å; F215-L300 HydrophobicContact CZ-CD1 3.66Å; F215-L300 HydrophobicContact CZ-CD2 4.08Å; F215-L300 HydrophobicContact CZ-CG 4.49Å; F215-L304 HydrophobicContact CD1-CD2 3.71Å; F215-L304 HydrophobicContact CE1-CD2 4Å; F215-L304 HydrophobicContact CG-CD2 4.22Å |
| 216 | G | 87.4 | Confident | 90.8 | Very high | 30 Ų | 30 | 45.8 Ų | 45.8 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | trans | 61.6 | -152.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A212 L218 | A212-G216 VanDerWaalsContact O-CA 3.32Å; A212-G216 WeakPolarHBondContact O-CA 3.5Å; A212-G216 PolarHBondContact O-N 3.22Å; G216-L218 PolarHBondContact O-N 3.47Å | ||
| 217 | D | 81.9 | Confident | 90.8 | Very high | 84 Ų | 84 | 51 Ų | 51 | 45% | 0.449 | 28% | 0.275 | S | S | . | . | trans | -95.7 | 77 | -178.8 | -171.3 | -6.8 | 0 | 0 | 0 | 111.3 | D219 A220 Y221 | D217-D219 PolarHBondContact O-N 3.06Å; D217-D219 VanDerWaalsContact O-N 3.14Å; D217-D219 WeakPolarHBondContact OD1-CB 3.42Å; D217-D219 PolarHBondContact OD1-N 2.96Å; D217-D219 VanDerWaalsContact OD1-N 3.1Å; D217-A220 HydrophobicContact CB-CB 4.2Å; D217-A220 PolarHBondContact O-N 3.31Å; D217-A220 PolarHBondContact OD1-N 2.88Å; D217-A220 WeakPolarHBondContact OD2-CB 3.48Å; D217-Y221 VanDerWaalsContact C-CE2 3.43Å; D217-Y221 PolarHBondContact N-OH 2.81Å; D217-Y221 WeakPolarHBondContact O-CD2 3.46Å; D217-Y221 WeakPolarHBondContact O-CE2 3.45Å | ||
| 218 | L | 77 | Confident | 90.8 | Very high | 10 Ų | 10 | 47.9 Ų | 47.9 | 5% | 0.052 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.3 | -24.8 | 175.4 | -64 | 178.8 | 0 | 0 | 0 | 112.4 | L189 R193 F215 G216 Y221 I222 | L189-L218 HydrophobicContact CD2-CD2 4.31Å; R193-L218 HydrophobicContact CB-CD1 3.85Å; R193-L218 HydrophobicContact CG-CD1 4.3Å; R193-L218 VanDerWaalsContact NH2-CB 3.35Å; R193-L218 PolarHBondContact NH2-O 3.37Å; F215-L218 HydrophobicContact CB-CD1 4.18Å; F215-L218 HydrophobicContact CB-CG 4.3Å; F215-L218 HydrophobicContact CD1-CD1 4.01Å; G216-L218 PolarHBondContact O-N 3.47Å; L218-Y221 HydrophobicContact CD2-CD2 4.32Å; L218-Y221 PolarHBondContact O-N 2.92Å; L218-I222 PolarHBondContact O-N 3.26Å |
| 219 | D | 74.9 | Confident | 90.9 | Very high | 107 Ų | 107 | 43.9 Ų | 43.9 | 57% | 0.572 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -74.6 | -28.1 | -177.2 | -78.4 | -49.2 | 0 | 0 | 0 | 112.4 | R193 D217 P223 | R193-D219 IonicContact CZ-OD1 3.01Å; R193-D219 IonicContact NH1-OD1 2.6Å; R193-D219 PolarHBondContact NH1-OD1 3.45Å; R193-D219 IonicContact NH1-OD2 4Å; R193-D219 VanDerWaalsContact NH2-CG 3.27Å; R193-D219 IonicContact NH2-OD1 2.74Å; R193-D219 PolarHBondContact NH2-OD1 2.88Å; R193-D219 IonicContact NH2-OD2 3.87Å; D217-D219 PolarHBondContact O-N 3.06Å; D217-D219 VanDerWaalsContact O-N 3.14Å; D217-D219 WeakPolarHBondContact OD1-CB 3.42Å; D217-D219 PolarHBondContact OD1-N 2.96Å; D217-D219 VanDerWaalsContact OD1-N 3.1Å; D219-P223 WeakPolarHBondContact O-CD 3.47Å; D219-P223 WeakPolarHBondContact O-CG 3.46Å |
| 220 | A | 81.4 | Confident | 91 | Very high | 42 Ų | 42 | 39.5 Ų | 39.5 | 35% | 0.347 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -73.2 | -31.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113 | D217 | D217-A220 HydrophobicContact CB-CB 4.2Å; D217-A220 PolarHBondContact O-N 3.31Å; D217-A220 PolarHBondContact OD1-N 2.88Å; D217-A220 WeakPolarHBondContact OD2-CB 3.48Å |
| 221 | Y | 88.3 | Confident | 91.1 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 4% | 0.035 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -84.3 | -44.4 | -168.4 | -54.2 | -32.1 | 0 | 0 | 0 | 113.9 | D217 L218 L224 H225 A258 Y259 Y262 | D217-Y221 VanDerWaalsContact C-CE2 3.43Å; D217-Y221 PolarHBondContact N-OH 2.81Å; D217-Y221 WeakPolarHBondContact O-CD2 3.46Å; D217-Y221 WeakPolarHBondContact O-CE2 3.45Å; L218-Y221 HydrophobicContact CD2-CD2 4.32Å; L218-Y221 PolarHBondContact O-N 2.92Å; Y221-L224 WeakPolarHBondContact O-CB 3.47Å; Y221-L224 PolarHBondContact O-N 3.28Å; Y221-H225 PolarHBondContact O-CD2 3.42Å; Y221-H225 PolarHBondContact O-N 3.11Å; Y221-A258 HydrophobicContact CD1-CB 4.35Å; Y221-A258 HydrophobicContact CE1-CB 4.24Å; Y221-Y259 WeakPolarHBondContact CB-OH 3.28Å; Y221-Y259 AromaticContact CD1-CD1 3.99Å; Y221-Y259 HydrophobicContact CD1-CD1 3.99Å; Y221-Y259 AromaticContact CD1-CE1 3.61Å; Y221-Y259 HydrophobicContact CD1-CE1 3.61Å; Y221-Y259 HydrophobicContact CD1-CE2 4.46Å; Y221-Y259 AromaticContact CD1-CZ 3.92Å; Y221-Y259 HydrophobicContact CD2-CD1 4.44Å; Y221-Y259 AromaticContact CD2-CE1 3.71Å; Y221-Y259 HydrophobicContact CD2-CE1 3.71Å; Y221-Y259 HydrophobicContact CE1-CD1 4.04Å; Y221-Y259 HydrophobicContact CE1-CE1 4.08Å; Y221-Y259 HydrophobicContact CE2-CD1 4.48Å; Y221-Y259 HydrophobicContact CE2-CE1 4.16Å; Y221-Y259 HydrophobicContact CG-CD1 4.26Å; Y221-Y259 AromaticContact CG-CE1 3.47Å; Y221-Y259 HydrophobicContact CG-CE1 3.47Å; Y221-Y259 VanDerWaalsContact CG-CE1 3.47Å; Y221-Y259 AromaticContact CG-CZ 3.77Å; Y221-Y262 AromaticContact CE2-CD2 3.67Å; Y221-Y262 HydrophobicContact CE2-CD2 3.67Å; Y221-Y262 HydrophobicContact CE2-CE2 4.25Å; Y221-Y262 HydrophobicContact CE2-CG 4.11Å; Y221-Y262 WeakPolarHBondContact OH-CB 3.4Å |
| 222 | I | 91.8 | Very high | 91.1 | Very high | 10 Ų | 10 | 40.7 Ų | 40.7 | 5% | 0.051 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.7 | -49.3 | -175 | -68.7 | 165.2 | 0 | 0 | 0 | 112 | I186 L189 Q190 L218 L224 H225 E226 | I186-I222 HydrophobicContact CG2-CG2 4.23Å; L189-I222 HydrophobicContact CB-CD1 4.03Å; L189-I222 HydrophobicContact CB-CG1 3.68Å; L189-I222 HydrophobicContact CD1-CG1 4.1Å; Q190-I222 HydrophobicContact CG-CD1 3.83Å; Q190-I222 HydrophobicContact CG-CG2 4.42Å; L218-I222 PolarHBondContact O-N 3.26Å; I222-L224 PolarHBondContact O-N 3.05Å; I222-H225 PolarHBondContact O-N 2.91Å; I222-H225 VanDerWaalsContact O-N 3.12Å; I222-E226 HydrophobicContact CG2-CG 4.13Å; I222-E226 VanDerWaalsContact CG2-OE1 3.29Å; I222-E226 WeakPolarHBondContact CG2-OE1 3.21Å; I222-E226 WeakPolarHBondContact O-CG 2.96Å; I222-E226 PolarHBondContact O-N 3.15Å |
| 223 | P | 93.9 | Very high | 91.2 | Very high | 69 Ų | 69 | 42.4 Ų | 42.4 | 45% | 0.448 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.8 | -29.6 | -179.7 | -24.5 | 36.3 | 0 | 0 | 0 | 113.6 | D219 E226 Y227 | D219-P223 WeakPolarHBondContact O-CD 3.47Å; D219-P223 WeakPolarHBondContact O-CG 3.46Å; P223-E226 PolarHBondContact O-N 2.97Å; P223-Y227 VanDerWaalsContact O-CB 3.31Å; P223-Y227 WeakPolarHBondContact O-CB 3.47Å; P223-Y227 PolarHBondContact O-N 3.39Å |
| 224 | L | 94.9 | Very high | 91.3 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 176.1 | 173.5 | 65.4 | 0 | 0 | 0 | 111.6 | Y221 I222 L228 W252 G255 L256 Y259 | Y221-L224 WeakPolarHBondContact O-CB 3.47Å; Y221-L224 PolarHBondContact O-N 3.28Å; I222-L224 PolarHBondContact O-N 3.05Å; L224-L228 PolarHBondContact O-N 2.89Å; L224-W252 PolarHBondContact O-NE1 3.34Å; L224-G255 WeakPolarHBondContact CD2-O 3.4Å; L224-L256 HydrophobicContact CD2-CD2 4.06Å; L224-Y259 HydrophobicContact CD2-CE2 4.45Å |
| 225 | H | 96.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -77.4 | -37.7 | 179.1 | -66.3 | -68.9 | 0 | 0 | 0 | 111.6 | E182 L185 I186 Y221 I222 Y227 L228 T229 W252 Y259 Y314 | E182-H225 IonicContact OE2-CE1 3.54Å; E182-H225 IonicContact OE2-CG 3.53Å; E182-H225 IonicContact OE2-ND1 2.67Å; E182-H225 PolarHBondContact OE2-ND1 3.32Å; L185-H225 WeakPolarHBondContact CD2-CE1 3.38Å; L185-H225 WeakPolarHBondContact CD2-ND1 3.2Å; L185-H225 WeakPolarHBondContact CD2-NE2 3.41Å; I186-H225 HydrophobicContact CD1-CB 3.91Å; I186-H225 HydrophobicContact CG1-CB 3.59Å; Y221-H225 PolarHBondContact O-CD2 3.42Å; Y221-H225 PolarHBondContact O-N 3.11Å; I222-H225 PolarHBondContact O-N 2.91Å; I222-H225 VanDerWaalsContact O-N 3.12Å; H225-Y227 VanDerWaalsContact C-N 3.28Å; H225-Y227 PolarHBondContact O-N 2.66Å; H225-L228 PolarHBondContact O-N 3.39Å; H225-T229 PolarHBondContact O-N 3.47Å; H225-W252 AromaticContact CE1-CZ2 3.78Å; H225-W252 AromaticContact ND1-CZ2 3.65Å; H225-Y259 PolarHBondContact CD2-OH 3.32Å; H225-Y259 AromaticContact NE2-CE2 3.4Å; H225-Y259 WeakPolarHBondContact NE2-CE2 3.44Å; H225-Y259 AromaticContact NE2-CZ 3.58Å; H225-Y259 PolarHBondContact NE2-OH 2.92Å; H225-Y314 PolarHBondContact CE1-OH 3.31Å |
| 226 | E | 96.3 | Very high | 91.1 | Very high | 73 Ų | 73 | 49.1 Ų | 49.1 | 34% | 0.341 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 172.8 | -72.4 | 174.7 | 167.5 | 0 | 0 | 110.8 | I186 Q190 I222 P223 L228 T229 V230 | I186-E226 HydrophobicContact CD1-CB 4.49Å; I186-E226 HydrophobicContact CD1-CG 3.85Å; I186-E226 HydrophobicContact CG1-CG 4.25Å; I186-E226 HydrophobicContact CG2-CG 4.14Å; Q190-E226 PolarHBondContact NE2-OE1 2.66Å; I222-E226 HydrophobicContact CG2-CG 4.13Å; I222-E226 VanDerWaalsContact CG2-OE1 3.29Å; I222-E226 WeakPolarHBondContact CG2-OE1 3.21Å; I222-E226 WeakPolarHBondContact O-CG 2.96Å; I222-E226 PolarHBondContact O-N 3.15Å; P223-E226 PolarHBondContact O-N 2.97Å; E226-L228 VanDerWaalsContact C-N 3.35Å; E226-L228 PolarHBondContact O-N 2.92Å; E226-T229 WeakPolarHBondContact CA-OG1 3.46Å; E226-T229 PolarHBondContact O-N 3.04Å; E226-T229 VanDerWaalsContact O-N 3.13Å; E226-T229 PolarHBondContact O-OG1 3.33Å; E226-V230 WeakPolarHBondContact O-CG2 3.29Å; E226-V230 PolarHBondContact O-N 3.26Å |
| 227 | Y | 96.5 | Very high | 91.2 | Very high | 116 Ų | 116 | 49.1 Ų | 49.1 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56 | -46 | 175.2 | 177.9 | -94 | 0 | 0 | 0 | 112.6 | P223 H225 T229 V230 K231 | P223-Y227 VanDerWaalsContact O-CB 3.31Å; P223-Y227 WeakPolarHBondContact O-CB 3.47Å; P223-Y227 PolarHBondContact O-N 3.39Å; H225-Y227 VanDerWaalsContact C-N 3.28Å; H225-Y227 PolarHBondContact O-N 2.66Å; Y227-T229 PolarHBondContact O-N 2.69Å; Y227-V230 PolarHBondContact O-N 3.47Å; Y227-K231 HydrophobicContact CD1-CG 4.2Å; Y227-K231 HydrophobicContact CE1-CG 3.75Å; Y227-K231 HydrophobicContact CE2-CG 4.23Å; Y227-K231 WeakPolarHBondContact O-CG 3.4Å; Y227-K231 PolarHBondContact O-N 3.08Å; Y227-K231 WeakPolarHBondContact OH-CE 3.39Å |
| 228 | L | 97.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 176 | 177.4 | 60.1 | 0 | 0 | 0 | 111.4 | E182 L224 H225 E226 V230 K231 L232 I248 W252 | E182-L228 HydrophobicContact CG-CD2 3.72Å; E182-L228 HydrophobicContact CG-CG 4.41Å; L224-L228 PolarHBondContact O-N 2.89Å; H225-L228 PolarHBondContact O-N 3.39Å; E226-L228 VanDerWaalsContact C-N 3.35Å; E226-L228 PolarHBondContact O-N 2.92Å; L228-V230 VanDerWaalsContact C-N 3.29Å; L228-V230 PolarHBondContact O-N 3.43Å; L228-K231 PolarHBondContact O-N 2.91Å; L228-L232 HydrophobicContact CD1-CD1 4.04Å; L228-L232 HydrophobicContact CD1-CD2 4.42Å; L228-L232 HydrophobicContact CD1-CG 3.96Å; L228-L232 HydrophobicContact CG-CD1 3.91Å; L228-L232 HydrophobicContact CG-CG 4.28Å; L228-L232 VanDerWaalsContact O-CG 3.31Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 3.32Å; L228-I248 HydrophobicContact CD1-CG2 3.93Å; L228-W252 HydrophobicContact CB-CD2 4.11Å; L228-W252 HydrophobicContact CB-CG 4.06Å; L228-W252 HydrophobicContact CB-CZ2 4.39Å; L228-W252 HydrophobicContact CD1-CB 4.36Å; L228-W252 HydrophobicContact CD1-CD2 4.17Å; L228-W252 HydrophobicContact CD1-CE3 4.47Å; L228-W252 HydrophobicContact CD1-CG 4.12Å; L228-W252 HydrophobicContact CD2-CD2 3.75Å; L228-W252 HydrophobicContact CD2-CE3 3.83Å; L228-W252 HydrophobicContact CD2-CG 4.45Å; L228-W252 HydrophobicContact CD2-CH2 3.75Å; L228-W252 HydrophobicContact CD2-CZ2 3.7Å; L228-W252 HydrophobicContact CD2-CZ3 3.83Å; L228-W252 HydrophobicContact CG-CD2 4.23Å; L228-W252 HydrophobicContact CG-CG 4.43Å |
| 229 | T | 96.6 | Very high | 91.7 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.7 | -38.2 | 178.7 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | F179 E182 Q183 I186 H225 E226 Y227 T233 | F179-T229 HydrophobicContact CD2-CG2 4.38Å; F179-T229 HydrophobicContact CE2-CG2 4.27Å; E182-T229 HydrophobicContact CB-CG2 3.56Å; Q183-T229 HydrophobicContact CG-CG2 4.36Å; I186-T229 HydrophobicContact CD1-CG2 3.86Å; H225-T229 PolarHBondContact O-N 3.47Å; E226-T229 WeakPolarHBondContact CA-OG1 3.46Å; E226-T229 PolarHBondContact O-N 3.04Å; E226-T229 VanDerWaalsContact O-N 3.13Å; E226-T229 PolarHBondContact O-OG1 3.33Å; Y227-T229 PolarHBondContact O-N 2.69Å; T229-T233 WeakPolarHBondContact O-CB 3.37Å; T229-T233 PolarHBondContact O-N 3.3Å; T229-T233 PolarHBondContact O-OG1 2.83Å |
| 230 | V | 97.2 | Very high | 92.2 | Very high | 72 Ų | 72 | 50.5 Ų | 50.5 | 44% | 0.436 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | E226 Y227 L228 L232 T233 E234 | E226-V230 WeakPolarHBondContact O-CG2 3.29Å; E226-V230 PolarHBondContact O-N 3.26Å; Y227-V230 PolarHBondContact O-N 3.47Å; L228-V230 VanDerWaalsContact C-N 3.29Å; L228-V230 PolarHBondContact O-N 3.43Å; V230-L232 PolarHBondContact O-N 2.95Å; V230-T233 WeakPolarHBondContact O-CB 3.35Å; V230-T233 PolarHBondContact O-N 3.47Å; V230-T233 VanDerWaalsContact O-N 3.13Å; V230-E234 HydrophobicContact CG1-CG 4.36Å; V230-E234 WeakPolarHBondContact O-CG 3.33Å; V230-E234 PolarHBondContact O-N 2.6Å |
| 231 | K | 97.1 | Very high | 92.6 | Very high | 64 Ų | 64 | 49.3 Ų | 49.3 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 178.5 | -68.7 | -52.8 | -178.1 | -171.3 | 0 | 113.9 | Y227 L228 T233 E234 G235 I248 | Y227-K231 HydrophobicContact CD1-CG 4.2Å; Y227-K231 HydrophobicContact CE1-CG 3.75Å; Y227-K231 HydrophobicContact CE2-CG 4.23Å; Y227-K231 WeakPolarHBondContact O-CG 3.4Å; Y227-K231 PolarHBondContact O-N 3.08Å; Y227-K231 WeakPolarHBondContact OH-CE 3.39Å; L228-K231 PolarHBondContact O-N 2.91Å; K231-T233 VanDerWaalsContact C-N 3.32Å; K231-E234 VanDerWaalsContact CD-OE2 3.27Å; K231-E234 WeakPolarHBondContact CD-OE2 3.27Å; K231-E234 IonicContact NZ-OE2 2.75Å; K231-E234 PolarHBondContact NZ-OE2 2.91Å; K231-E234 PolarHBondContact O-N 3.4Å; K231-G235 PolarHBondContact O-N 3.04Å; K231-I248 HydrophobicContact CB-CG2 3.66Å |
| 232 | L | 94.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.6 | -37.8 | 173.8 | -68.7 | 173.9 | 0 | 0 | 0 | 111.6 | F179 L228 V230 G235 T236 I245 I248 | F179-L232 HydrophobicContact CB-CD1 4.1Å; F179-L232 HydrophobicContact CD2-CB 4Å; F179-L232 HydrophobicContact CD2-CD1 4.06Å; L228-L232 HydrophobicContact CD1-CD1 4.04Å; L228-L232 HydrophobicContact CD1-CD2 4.42Å; L228-L232 HydrophobicContact CD1-CG 3.96Å; L228-L232 HydrophobicContact CG-CD1 3.91Å; L228-L232 HydrophobicContact CG-CG 4.28Å; L228-L232 VanDerWaalsContact O-CG 3.31Å; L228-L232 WeakPolarHBondContact O-CG 3.49Å; L228-L232 PolarHBondContact O-N 3.32Å; V230-L232 PolarHBondContact O-N 2.95Å; L232-G235 PolarHBondContact O-N 3.14Å; L232-T236 PolarHBondContact O-N 3.14Å; L232-T236 PolarHBondContact O-OG1 3.25Å; L232-I245 HydrophobicContact CD2-CD1 3.51Å; L232-I245 HydrophobicContact CD2-CG1 3.81Å; L232-I248 HydrophobicContact CD2-CG2 4.27Å |
| 233 | T | 94.2 | Very high | 92.9 | Very high | 84 Ų | 84 | 53.1 Ų | 53.1 | 52% | 0.515 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.8 | -44.3 | 176.3 | -53.1 | 0 | 0 | 0 | 0 | 111.2 | T229 V230 K231 G235 T236 | T229-T233 WeakPolarHBondContact O-CB 3.37Å; T229-T233 PolarHBondContact O-N 3.3Å; T229-T233 PolarHBondContact O-OG1 2.83Å; V230-T233 WeakPolarHBondContact O-CB 3.35Å; V230-T233 PolarHBondContact O-N 3.47Å; V230-T233 VanDerWaalsContact O-N 3.13Å; K231-T233 VanDerWaalsContact C-N 3.32Å; T233-G235 VanDerWaalsContact C-N 3.27Å; T233-G235 PolarHBondContact O-N 3.39Å; T233-T236 WeakPolarHBondContact O-CB 3.36Å; T233-T236 PolarHBondContact O-N 3.48Å; T233-T236 VanDerWaalsContact O-N 3.11Å |
| 234 | E | 94.1 | Very high | 92.9 | Very high | 126 Ų | 126 | 54.6 Ų | 54.6 | 59% | 0.589 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -62.3 | -34 | 174.7 | -72 | 175.3 | 176.8 | 0 | 0 | 112.5 | V230 K231 T236 | V230-E234 HydrophobicContact CG1-CG 4.36Å; V230-E234 WeakPolarHBondContact O-CG 3.33Å; V230-E234 PolarHBondContact O-N 2.6Å; K231-E234 VanDerWaalsContact CD-OE2 3.27Å; K231-E234 WeakPolarHBondContact CD-OE2 3.27Å; K231-E234 IonicContact NZ-OE2 2.75Å; K231-E234 PolarHBondContact NZ-OE2 2.91Å; K231-E234 PolarHBondContact O-N 3.4Å; E234-T236 VanDerWaalsContact C-N 3.28Å |
| 235 | G | 90.3 | Very high | 93 | Very high | 29 Ų | 29 | 53.3 Ų | 53.3 | 30% | 0.299 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K231 L232 T233 | K231-G235 PolarHBondContact O-N 3.04Å; L232-G235 PolarHBondContact O-N 3.14Å; T233-G235 VanDerWaalsContact C-N 3.27Å; T233-G235 PolarHBondContact O-N 3.39Å |
| 236 | T | 91.9 | Very high | 93.1 | Very high | 58 Ų | 58 | 53.3 Ų | 53.3 | 36% | 0.356 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -86 | 121.1 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 109.7 | L232 T233 E234 T241 | L232-T236 PolarHBondContact O-N 3.14Å; L232-T236 PolarHBondContact O-OG1 3.25Å; T233-T236 WeakPolarHBondContact O-CB 3.36Å; T233-T236 PolarHBondContact O-N 3.48Å; T233-T236 VanDerWaalsContact O-N 3.11Å; E234-T236 VanDerWaalsContact C-N 3.28Å; T236-T241 CarbonylContact C-O 3.53Å; T236-T241 WeakPolarHBondContact CA-O 3.38Å |
| 237 | G | 88.8 | Confident | 93.1 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | trans | -67.8 | 169.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D239 G240 T241 | G237-D239 PolarHBondContact O-N 2.92Å; G237-D239 VanDerWaalsContact O-N 3.14Å; G237-G240 PolarHBondContact O-N 2.85Å; G237-T241 PolarHBondContact N-O 3.11Å | ||
| 238 | P | 85.1 | Confident | 93.2 | Very high | 146 Ų | 146 | 50.3 Ų | 50.3 | 95% | 0.948 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -17.5 | 179.3 | 27.7 | -35.5 | 0 | 0 | 0 | 113.5 | G240 | P238-G240 VanDerWaalsContact C-N 3.31Š|
| 239 | D | 84.5 | Confident | 93.2 | Very high | 63 Ų | 63 | 50.4 Ų | 50.4 | 34% | 0.337 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 3.4 | 174.9 | 66.9 | -12.7 | 0 | 0 | 0 | 113.2 | G237 T241 | G237-D239 PolarHBondContact O-N 2.92Å; G237-D239 VanDerWaalsContact O-N 3.14Å; D239-T241 VanDerWaalsContact C-N 3.3Å; D239-T241 VanDerWaalsContact CG-OG1 3.25Å; D239-T241 PolarHBondContact O-N 3.33Å; D239-T241 PolarHBondContact OD1-N 2.9Å; D239-T241 VanDerWaalsContact OD1-N 3.1Å; D239-T241 PolarHBondContact OD1-OG1 3.18Å; D239-T241 PolarHBondContact OD2-OG1 3.05Å; D239-T241 VanDerWaalsContact OD2-OG1 3.09Å |
| 240 | G | 85.3 | Confident | 93.3 | Very high | 22 Ų | 22 | 50.1 Ų | 50.1 | 23% | 0.227 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 79.6 | 7.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | W152 G237 P238 | W152-G240 WeakPolarHBondContact CZ2-O 3.38Å; W152-G240 PolarHBondContact NE1-O 3.28Å; G237-G240 PolarHBondContact O-N 2.85Å; P238-G240 VanDerWaalsContact C-N 3.31Å |
| 241 | T | 90.5 | Very high | 93.3 | Very high | 17 Ų | 17 | 51.4 Ų | 51.4 | 10% | 0.104 | 29% | 0.294 | C | S | . | . | trans | -95.7 | 149.4 | 178.2 | 69 | 0 | 0 | 0 | 0 | 112.1 | W152 F164 Q172 T236 G237 D239 | W152-T241 HydrophobicContact CH2-CG2 4.04Å; W152-T241 HydrophobicContact CZ2-CG2 3.87Å; F164-T241 HydrophobicContact CD1-CG2 4.47Å; F164-T241 HydrophobicContact CE1-CG2 3.59Å; F164-T241 HydrophobicContact CE2-CG2 4.09Å; F164-T241 HydrophobicContact CZ-CG2 3.36Å; Q172-T241 HydrophobicContact CG-CG2 4.46Å; T236-T241 CarbonylContact C-O 3.53Å; T236-T241 WeakPolarHBondContact CA-O 3.38Å; G237-T241 PolarHBondContact N-O 3.11Å; D239-T241 VanDerWaalsContact C-N 3.3Å; D239-T241 VanDerWaalsContact CG-OG1 3.25Å; D239-T241 PolarHBondContact O-N 3.33Å; D239-T241 PolarHBondContact OD1-N 2.9Å; D239-T241 VanDerWaalsContact OD1-N 3.1Å; D239-T241 PolarHBondContact OD1-OG1 3.18Å; D239-T241 PolarHBondContact OD2-OG1 3.05Å; D239-T241 VanDerWaalsContact OD2-OG1 3.09Å | ||
| 242 | V | 93.5 | Very high | 93.3 | Very high | 6 Ų | 6 | 48.8 Ų | 48.8 | 4% | 0.036 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -102.1 | 110.7 | 169.3 | 179.5 | 0 | 0 | 0 | 0 | 108.1 | R171 Q172 I175 I245 | R171-V242 PolarHBondContact NH2-O 3.36Å; Q172-V242 PolarHBondContact NE2-O 2.87Å; I175-V242 HydrophobicContact CD1-CB 4.17Å; I175-V242 HydrophobicContact CD1-CG1 4.43Å; I175-V242 HydrophobicContact CG2-CB 4.07Å; I175-V242 HydrophobicContact CG2-CG1 4.44Å; I175-V242 HydrophobicContact CG2-CG2 3.89Å; V242-I245 HydrophobicContact CG1-CB 4.11Å |
| 243 | D | 91.7 | Very high | 93.5 | Very high | 93 Ų | 93 | 48.7 Ų | 48.7 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -66 | -63.1 | 179.1 | -175 | 52.4 | 0 | 0 | 0 | 110.1 | R171 H329 | R171-D243 PolarHBondContact NH1-O 3.37Å; R171-D243 PolarHBondContact NH2-O 2.99Å; R171-D243 VanDerWaalsContact NH2-O 3.1Å; D243-H329 PolarHBondContact O-CE1 2.65Å; D243-H329 PolarHBondContact O-NE2 2.95Å; D243-H329 IonicContact OD1-NE2 3.83Å |
| 244 | Q | 94.6 | Very high | 93.5 | Very high | 100 Ų | 100 | 47.8 Ų | 47.8 | 47% | 0.467 | 28% | 0.278 | S | S | . | . | trans | -121.2 | 119.5 | -176.7 | -71.5 | 169.5 | 58.2 | 0 | 0 | 112.1 | P330 D331 | Q244-P330 HydrophobicContact CG-CG 3.92Å; Q244-D331 WeakPolarHBondContact CA-OD2 3.49Å | ||
| 245 | I | 97.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -109.2 | -21.2 | 177.8 | -172.7 | 166.1 | 0 | 0 | 0 | 112.8 | I175 L178 L232 V242 Q247 I248 V249 I321 D331 L335 | I175-I245 HydrophobicContact CB-CD1 4.35Å; I175-I245 HydrophobicContact CD1-CB 4.49Å; I175-I245 HydrophobicContact CD1-CG2 4.12Å; I175-I245 HydrophobicContact CG1-CD1 3.96Å; I175-I245 HydrophobicContact CG1-CG2 4.31Å; I175-I245 HydrophobicContact CG2-CD1 3.78Å; L178-I245 HydrophobicContact CD2-CD1 3.96Å; L232-I245 HydrophobicContact CD2-CD1 3.51Å; L232-I245 HydrophobicContact CD2-CG1 3.81Å; V242-I245 HydrophobicContact CG1-CB 4.11Å; I245-Q247 PolarHBondContact O-N 3.47Å; I245-I248 WeakPolarHBondContact O-CB 3.29Å; I245-I248 PolarHBondContact O-N 3.49Å; I245-I248 VanDerWaalsContact O-N 3.16Å; I245-V249 HydrophobicContact CD1-CG1 4.42Å; I245-V249 HydrophobicContact CG1-CG1 3.97Å; I245-V249 PolarHBondContact O-N 3.36Å; I245-V249 VanDerWaalsContact O-N 3.11Å; I245-I321 HydrophobicContact CD1-CD1 4.31Å; I245-I321 HydrophobicContact CG2-CG2 4.11Å; I245-D331 WeakPolarHBondContact CG2-OD2 3.2Å; I245-D331 PolarHBondContact N-OD1 2.91Å; I245-D331 PolarHBondContact N-OD2 3Å; I245-L335 HydrophobicContact CG2-CD2 4.27Å | ||
| 246 | G | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.7 | -44.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V249 I250 D331 | G246-V249 WeakPolarHBondContact O-CG2 3.49Å; G246-V249 PolarHBondContact O-N 3.15Å; G246-I250 VanDerWaalsContact O-CG1 3.27Å; G246-I250 WeakPolarHBondContact O-CG1 3.41Å; G246-I250 PolarHBondContact O-N 2.83Å; G246-D331 WeakPolarHBondContact CA-OD1 3.44Å; G246-D331 PolarHBondContact N-OD1 3.49Å |
| 247 | Q | 97.1 | Very high | 93.8 | Very high | 93 Ų | 93 | 42.2 Ų | 42.2 | 44% | 0.435 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 178.9 | -171.2 | 57.1 | 45.7 | 0 | 0 | 112 | I245 V249 I250 D251 | I245-Q247 PolarHBondContact O-N 3.47Å; Q247-V249 VanDerWaalsContact C-N 3.3Å; Q247-V249 PolarHBondContact O-N 3.26Å; Q247-I250 PolarHBondContact O-N 3.36Å; Q247-D251 PolarHBondContact NE2-OD1 2.96Å; Q247-D251 PolarHBondContact NE2-OD2 3.38Å; Q247-D251 PolarHBondContact O-N 3.01Å |
| 248 | I | 97.6 | Very high | 93.9 | Very high | 33 Ų | 33 | 42.9 Ų | 42.9 | 17% | 0.169 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.1 | -47.2 | 177.4 | -62.6 | 171.3 | 0 | 0 | 0 | 110.4 | L228 K231 L232 I245 W252 | L228-I248 HydrophobicContact CD1-CG2 3.93Å; K231-I248 HydrophobicContact CB-CG2 3.66Å; L232-I248 HydrophobicContact CD2-CG2 4.27Å; I245-I248 WeakPolarHBondContact O-CB 3.29Å; I245-I248 PolarHBondContact O-N 3.49Å; I245-I248 VanDerWaalsContact O-N 3.16Å; I248-W252 WeakPolarHBondContact O-CB 3.5Å; I248-W252 PolarHBondContact O-N 2.89Å |
| 249 | V | 97.8 | Very high | 94.2 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72.4 | -36.5 | -179.9 | -63.7 | 0 | 0 | 0 | 0 | 112.3 | L178 I245 G246 Q247 D251 W252 L253 L318 L335 A338 | L178-V249 HydrophobicContact CD2-CG1 4.3Å; I245-V249 HydrophobicContact CD1-CG1 4.42Å; I245-V249 HydrophobicContact CG1-CG1 3.97Å; I245-V249 PolarHBondContact O-N 3.36Å; I245-V249 VanDerWaalsContact O-N 3.11Å; G246-V249 WeakPolarHBondContact O-CG2 3.49Å; G246-V249 PolarHBondContact O-N 3.15Å; Q247-V249 VanDerWaalsContact C-N 3.3Å; Q247-V249 PolarHBondContact O-N 3.26Å; V249-D251 VanDerWaalsContact C-N 3.32Å; V249-D251 PolarHBondContact O-N 3.14Å; V249-W252 PolarHBondContact O-N 3.33Å; V249-L253 WeakPolarHBondContact O-CB 3.45Å; V249-L253 WeakPolarHBondContact O-CG 3.47Å; V249-L253 PolarHBondContact O-N 3.45Å; V249-L318 HydrophobicContact CB-CD2 4.34Å; V249-L318 HydrophobicContact CG1-CD2 4.17Å; V249-L318 HydrophobicContact CG2-CD2 4.05Å; V249-L335 HydrophobicContact CG2-CD2 4.47Å; V249-A338 HydrophobicContact CG2-CB 3.69Å |
| 250 | I | 98.4 | Very high | 94.5 | Very high | 11 Ų | 11 | 35.7 Ų | 35.7 | 6% | 0.056 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 175.6 | -74.5 | 166.6 | 0 | 0 | 0 | 111 | G246 Q247 W252 P254 S334 R337 A338 I341 | G246-I250 VanDerWaalsContact O-CG1 3.27Å; G246-I250 WeakPolarHBondContact O-CG1 3.41Å; G246-I250 PolarHBondContact O-N 2.83Å; Q247-I250 PolarHBondContact O-N 3.36Å; I250-W252 VanDerWaalsContact C-N 3.31Å; I250-W252 PolarHBondContact O-N 2.89Å; I250-P254 WeakPolarHBondContact O-CD 3.3Å; I250-S334 WeakPolarHBondContact CD1-O 3.42Å; I250-R337 HydrophobicContact CD1-CB 4.3Å; I250-R337 HydrophobicContact CD1-CG 4.32Å; I250-A338 HydrophobicContact CG1-CB 4.04Å; I250-I341 HydrophobicContact CG1-CD1 4.37Å; I250-I341 HydrophobicContact CG2-CD1 4.15Å |
| 251 | D | 97.4 | Very high | 94.7 | Very high | 100 Ų | 100 | 40.4 Ų | 40.4 | 54% | 0.535 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -71.1 | -30.8 | -177 | -67.3 | -27.3 | 0 | 0 | 0 | 112.1 | Q247 V249 | Q247-D251 PolarHBondContact NE2-OD1 2.96Å; Q247-D251 PolarHBondContact NE2-OD2 3.38Å; Q247-D251 PolarHBondContact O-N 3.01Å; V249-D251 VanDerWaalsContact C-N 3.32Å; V249-D251 PolarHBondContact O-N 3.14Å |
| 252 | W | 97.9 | Very high | 94.8 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -82.4 | -40.6 | -178.7 | 172.5 | 75 | 0 | 0 | 0 | 114.1 | L224 H225 L228 I248 V249 I250 P254 G255 L256 Y314 | L224-W252 PolarHBondContact O-NE1 3.34Å; H225-W252 AromaticContact CE1-CZ2 3.78Å; H225-W252 AromaticContact ND1-CZ2 3.65Å; L228-W252 HydrophobicContact CB-CD2 4.11Å; L228-W252 HydrophobicContact CB-CG 4.06Å; L228-W252 HydrophobicContact CB-CZ2 4.39Å; L228-W252 HydrophobicContact CD1-CB 4.36Å; L228-W252 HydrophobicContact CD1-CD2 4.17Å; L228-W252 HydrophobicContact CD1-CE3 4.47Å; L228-W252 HydrophobicContact CD1-CG 4.12Å; L228-W252 HydrophobicContact CD2-CD2 3.75Å; L228-W252 HydrophobicContact CD2-CE3 3.83Å; L228-W252 HydrophobicContact CD2-CG 4.45Å; L228-W252 HydrophobicContact CD2-CH2 3.75Å; L228-W252 HydrophobicContact CD2-CZ2 3.7Å; L228-W252 HydrophobicContact CD2-CZ3 3.83Å; L228-W252 HydrophobicContact CG-CD2 4.23Å; L228-W252 HydrophobicContact CG-CG 4.43Å; I248-W252 WeakPolarHBondContact O-CB 3.5Å; I248-W252 PolarHBondContact O-N 2.89Å; V249-W252 PolarHBondContact O-N 3.33Å; I250-W252 VanDerWaalsContact C-N 3.31Å; I250-W252 PolarHBondContact O-N 2.89Å; W252-P254 VanDerWaalsContact C-CD 3.43Å; W252-G255 PolarHBondContact O-N 3.11Å; W252-L256 HydrophobicContact CH2-CD1 3.84Å; W252-L256 HydrophobicContact CH2-CD2 3.69Å; W252-L256 HydrophobicContact CH2-CG 3.98Å; W252-L256 HydrophobicContact CZ2-CD2 3.74Å; W252-L256 HydrophobicContact CZ2-CG 4.24Å; W252-L256 HydrophobicContact CZ3-CD1 3.86Å; W252-L256 HydrophobicContact CZ3-CD2 4.47Å; W252-L256 HydrophobicContact CZ3-CG 4.28Å; W252-Y314 HydrophobicContact CH2-CD1 4.34Å; W252-Y314 AromaticContact CH2-CE1 3.65Å; W252-Y314 HydrophobicContact CH2-CE1 3.65Å; W252-Y314 AromaticContact CH2-CE2 3.97Å; W252-Y314 HydrophobicContact CH2-CE2 3.97Å; W252-Y314 AromaticContact CH2-CZ 3.47Å; W252-Y314 VanDerWaalsContact CH2-CZ 3.47Å; W252-Y314 HydrophobicContact CZ3-CD1 4.31Å; W252-Y314 HydrophobicContact CZ3-CE1 4.04Å |
| 253 | L | 97.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -50.1 | -43.1 | -172.7 | -83.8 | 171.8 | 0 | 0 | 0 | 114.6 | V249 G255 L256 L318 A338 I341 I342 I345 | V249-L253 WeakPolarHBondContact O-CB 3.45Å; V249-L253 WeakPolarHBondContact O-CG 3.47Å; V249-L253 PolarHBondContact O-N 3.45Å; L253-G255 PolarHBondContact O-N 2.93Å; L253-G255 VanDerWaalsContact O-N 3.09Å; L253-L256 HydrophobicContact CD2-CD1 3.7Å; L253-L256 VanDerWaalsContact O-CB 3.3Å; L253-L256 WeakPolarHBondContact O-CB 3.44Å; L253-L256 PolarHBondContact O-N 2.99Å; L253-L318 HydrophobicContact CD1-CD1 4.38Å; L253-A338 HydrophobicContact CD1-CB 3.86Å; L253-A338 VanDerWaalsContact CD1-O 3.23Å; L253-A338 WeakPolarHBondContact CD1-O 3.4Å; L253-I341 HydrophobicContact CB-CG2 3.85Å; L253-I341 HydrophobicContact CD1-CB 4.2Å; L253-I341 HydrophobicContact CD1-CG2 4.14Å; L253-I342 HydrophobicContact CD1-CB 4.26Å; L253-I342 HydrophobicContact CD2-CB 3.81Å; L253-I342 HydrophobicContact CD2-CD1 3.84Å; L253-I342 HydrophobicContact CD2-CG1 4.15Å; L253-I345 HydrophobicContact CB-CD1 4.4Å; L253-I345 VanDerWaalsContact O-CD1 3.22Å; L253-I345 WeakPolarHBondContact O-CD1 3.29Å |
| 254 | P | 95.7 | Very high | 94.7 | Very high | 65 Ų | 65 | 36.7 Ų | 36.7 | 42% | 0.422 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -56 | -26.2 | 177.7 | -27.8 | 36.1 | 0 | 0 | 0 | 114.5 | I250 W252 L256 N257 | I250-P254 WeakPolarHBondContact O-CD 3.3Å; W252-P254 VanDerWaalsContact C-CD 3.43Å; P254-L256 PolarHBondContact O-N 3.43Å; P254-N257 WeakPolarHBondContact O-CB 3.38Å; P254-N257 PolarHBondContact O-N 3.16Å; P254-N257 PolarHBondContact O-ND2 3.44Å |
| 255 | G | 94.9 | Very high | 94.6 | Very high | 30 Ų | 30 | 34.3 Ų | 34.3 | 31% | 0.309 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -64 | -24.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L224 W252 L253 N257 A258 | L224-G255 WeakPolarHBondContact CD2-O 3.4Å; W252-G255 PolarHBondContact O-N 3.11Å; L253-G255 PolarHBondContact O-N 2.93Å; L253-G255 VanDerWaalsContact O-N 3.09Å; G255-N257 PolarHBondContact O-N 3.07Å; G255-N257 VanDerWaalsContact O-N 3.11Å; G255-A258 WeakPolarHBondContact O-CB 3.34Å; G255-A258 PolarHBondContact O-N 2.99Å; G255-A258 VanDerWaalsContact O-N 3.09Å |
| 256 | L | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -64.7 | -14.6 | 177.2 | -65.7 | 175.4 | 0 | 0 | 0 | 113.5 | L224 W252 L253 P254 A258 Y259 L311 Y314 I342 I345 | L224-L256 HydrophobicContact CD2-CD2 4.06Å; W252-L256 HydrophobicContact CH2-CD1 3.84Å; W252-L256 HydrophobicContact CH2-CD2 3.69Å; W252-L256 HydrophobicContact CH2-CG 3.98Å; W252-L256 HydrophobicContact CZ2-CD2 3.74Å; W252-L256 HydrophobicContact CZ2-CG 4.24Å; W252-L256 HydrophobicContact CZ3-CD1 3.86Å; W252-L256 HydrophobicContact CZ3-CD2 4.47Å; W252-L256 HydrophobicContact CZ3-CG 4.28Å; L253-L256 HydrophobicContact CD2-CD1 3.7Å; L253-L256 VanDerWaalsContact O-CB 3.3Å; L253-L256 WeakPolarHBondContact O-CB 3.44Å; L253-L256 PolarHBondContact O-N 2.99Å; P254-L256 PolarHBondContact O-N 3.43Å; L256-A258 PolarHBondContact O-N 3.32Å; L256-A258 VanDerWaalsContact O-N 3.11Å; L256-Y259 HydrophobicContact CD2-CD2 4.12Å; L256-Y259 HydrophobicContact CD2-CE2 4.1Å; L256-Y259 WeakPolarHBondContact O-CB 3.27Å; L256-Y259 PolarHBondContact O-N 3.39Å; L256-L311 HydrophobicContact CB-CD2 4.06Å; L256-L311 HydrophobicContact CD1-CD2 4.02Å; L256-L311 HydrophobicContact CD2-CD2 3.9Å; L256-L311 HydrophobicContact CG-CD2 4.23Å; L256-Y314 HydrophobicContact CD1-CD2 3.84Å; L256-Y314 HydrophobicContact CD1-CE2 3.85Å; L256-Y314 HydrophobicContact CD2-CE2 4.13Å; L256-I342 HydrophobicContact CD1-CD1 3.67Å; L256-I345 HydrophobicContact CB-CG2 4.33Å |
| 257 | N | 92 | Very high | 93.9 | Very high | 67 Ų | 67 | 37.2 Ų | 37.2 | 36% | 0.358 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -58.2 | -20.7 | 170.7 | -74.4 | -54.2 | 0 | 0 | 0 | 112.8 | P254 G255 Y259 K260 | P254-N257 WeakPolarHBondContact O-CB 3.38Å; P254-N257 PolarHBondContact O-N 3.16Å; P254-N257 PolarHBondContact O-ND2 3.44Å; G255-N257 PolarHBondContact O-N 3.07Å; G255-N257 VanDerWaalsContact O-N 3.11Å; N257-Y259 PolarHBondContact O-N 3.16Å; N257-Y259 VanDerWaalsContact O-N 3.14Å; N257-K260 WeakPolarHBondContact O-CB 3.29Å; N257-K260 PolarHBondContact O-N 2.93Å |
| 258 | A | 90.3 | Very high | 93.7 | Very high | 43 Ų | 43 | 33.6 Ų | 33.6 | 36% | 0.355 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -55.8 | -27.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y221 G255 L256 K260 | Y221-A258 HydrophobicContact CD1-CB 4.35Å; Y221-A258 HydrophobicContact CE1-CB 4.24Å; G255-A258 WeakPolarHBondContact O-CB 3.34Å; G255-A258 PolarHBondContact O-N 2.99Å; G255-A258 VanDerWaalsContact O-N 3.09Å; L256-A258 PolarHBondContact O-N 3.32Å; L256-A258 VanDerWaalsContact O-N 3.11Å; A258-K260 VanDerWaalsContact C-N 3.3Å; A258-K260 PolarHBondContact O-N 3.02Å |
| 259 | Y | 92.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -79.8 | -5.8 | 177.9 | -74.5 | -68 | 0 | 0 | 0 | 114.9 | Y221 L224 H225 L256 N257 N261 Y262 C263 P307 L311 | Y221-Y259 WeakPolarHBondContact CB-OH 3.28Å; Y221-Y259 AromaticContact CD1-CD1 3.99Å; Y221-Y259 HydrophobicContact CD1-CD1 3.99Å; Y221-Y259 AromaticContact CD1-CE1 3.61Å; Y221-Y259 HydrophobicContact CD1-CE1 3.61Å; Y221-Y259 HydrophobicContact CD1-CE2 4.46Å; Y221-Y259 AromaticContact CD1-CZ 3.92Å; Y221-Y259 HydrophobicContact CD2-CD1 4.44Å; Y221-Y259 AromaticContact CD2-CE1 3.71Å; Y221-Y259 HydrophobicContact CD2-CE1 3.71Å; Y221-Y259 HydrophobicContact CE1-CD1 4.04Å; Y221-Y259 HydrophobicContact CE1-CE1 4.08Å; Y221-Y259 HydrophobicContact CE2-CD1 4.48Å; Y221-Y259 HydrophobicContact CE2-CE1 4.16Å; Y221-Y259 HydrophobicContact CG-CD1 4.26Å; Y221-Y259 AromaticContact CG-CE1 3.47Å; Y221-Y259 HydrophobicContact CG-CE1 3.47Å; Y221-Y259 VanDerWaalsContact CG-CE1 3.47Å; Y221-Y259 AromaticContact CG-CZ 3.77Å; L224-Y259 HydrophobicContact CD2-CE2 4.45Å; H225-Y259 PolarHBondContact CD2-OH 3.32Å; H225-Y259 AromaticContact NE2-CE2 3.4Å; H225-Y259 WeakPolarHBondContact NE2-CE2 3.44Å; H225-Y259 AromaticContact NE2-CZ 3.58Å; H225-Y259 PolarHBondContact NE2-OH 2.92Å; L256-Y259 HydrophobicContact CD2-CD2 4.12Å; L256-Y259 HydrophobicContact CD2-CE2 4.1Å; L256-Y259 WeakPolarHBondContact O-CB 3.27Å; L256-Y259 PolarHBondContact O-N 3.39Å; N257-Y259 PolarHBondContact O-N 3.16Å; N257-Y259 VanDerWaalsContact O-N 3.14Å; Y259-N261 PolarHBondContact O-N 2.69Å; Y259-Y262 HydrophobicContact CD1-CD1 4.16Å; Y259-Y262 HydrophobicContact CD1-CG 4.26Å; Y259-Y262 WeakPolarHBondContact O-CB 3.33Å; Y259-Y262 PolarHBondContact O-N 3.44Å; Y259-C263 WeakPolarHBondContact O-CB 3.48Å; Y259-C263 PolarHBondContact O-N 3.39Å; Y259-C263 PolarHBondContact O-SG 3.23Å; Y259-P307 HydrophobicContact CD1-CB 3.84Å; Y259-P307 HydrophobicContact CE1-CB 3.41Å; Y259-P307 VanDerWaalsContact CE1-CB 3.41Å; Y259-P307 HydrophobicContact CE1-CG 4.03Å; Y259-L311 HydrophobicContact CD2-CD1 4.32Å; Y259-L311 HydrophobicContact CD2-CD2 4.12Å; Y259-L311 HydrophobicContact CD2-CG 4.48Å; Y259-L311 HydrophobicContact CG-CD1 4.06Å |
| 260 | K | 91.3 | Very high | 93.3 | Very high | 56 Ų | 56 | 34.9 Ų | 34.9 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.4 | -51.8 | 179.1 | -173.3 | 174.4 | -171.4 | 163.6 | 0 | 111.5 | N257 A258 Y262 S264 D348 I349 T352 | N257-K260 WeakPolarHBondContact O-CB 3.29Å; N257-K260 PolarHBondContact O-N 2.93Å; A258-K260 VanDerWaalsContact C-N 3.3Å; A258-K260 PolarHBondContact O-N 3.02Å; K260-Y262 VanDerWaalsContact C-N 3.34Å; K260-Y262 PolarHBondContact O-N 3.45Å; K260-S264 WeakPolarHBondContact O-CB 3.3Å; K260-S264 PolarHBondContact O-N 3.45Å; K260-S264 PolarHBondContact O-OG 2.9Å; K260-D348 VanDerWaalsContact CE-OD2 3.31Å; K260-D348 WeakPolarHBondContact CE-OD2 3.49Å; K260-D348 IonicContact NZ-OD1 2.65Å; K260-D348 PolarHBondContact NZ-OD1 3.45Å; K260-D348 IonicContact NZ-OD2 3.2Å; K260-D348 PolarHBondContact NZ-OD2 3.44Å; K260-I349 HydrophobicContact CB-CG1 4.36Å; K260-T352 HydrophobicContact CD-CG2 4.42Å; K260-T352 WeakPolarHBondContact CE-OG1 3.47Å; K260-T352 HydrophobicContact CG-CG2 3.95Å; K260-T352 PolarHBondContact NZ-OG1 3.22Å |
| 261 | N | 89 | Confident | 93 | Very high | 122 Ų | 122 | 35.9 Ų | 35.9 | 65% | 0.652 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -67.4 | -35.4 | 178.2 | -66.8 | -11.3 | 0 | 0 | 0 | 112.3 | Y259 S264 N265 | Y259-N261 PolarHBondContact O-N 2.69Å; N261-S264 WeakPolarHBondContact CA-OG 3.46Å; N261-S264 PolarHBondContact O-OG 3.17Å; N261-N265 VanDerWaalsContact O-CB 3.31Å; N261-N265 WeakPolarHBondContact O-CB 3.34Å; N261-N265 PolarHBondContact O-N 2.83Å; N261-N265 VanDerWaalsContact O-N 3.14Å |
| 262 | Y | 91.1 | Very high | 92.9 | Very high | 13 Ų | 13 | 32.4 Ų | 32.4 | 5% | 0.051 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.6 | -52 | 177.5 | -174.3 | -101.9 | 0 | 0 | 0 | 111.6 | F215 Y221 Y259 K260 S264 N265 Q266 L304 P307 | F215-Y262 WeakPolarHBondContact O-CE2 3.38Å; Y221-Y262 AromaticContact CE2-CD2 3.67Å; Y221-Y262 HydrophobicContact CE2-CD2 3.67Å; Y221-Y262 HydrophobicContact CE2-CE2 4.25Å; Y221-Y262 HydrophobicContact CE2-CG 4.11Å; Y221-Y262 WeakPolarHBondContact OH-CB 3.4Å; Y259-Y262 HydrophobicContact CD1-CD1 4.16Å; Y259-Y262 HydrophobicContact CD1-CG 4.26Å; Y259-Y262 WeakPolarHBondContact O-CB 3.33Å; Y259-Y262 PolarHBondContact O-N 3.44Å; K260-Y262 VanDerWaalsContact C-N 3.34Å; K260-Y262 PolarHBondContact O-N 3.45Å; Y262-S264 VanDerWaalsContact C-N 3.34Å; Y262-S264 PolarHBondContact O-N 3.4Å; Y262-N265 PolarHBondContact O-N 3.41Å; Y262-Q266 HydrophobicContact CE1-CG 4.47Å; Y262-Q266 PolarHBondContact O-N 3.39Å; Y262-L304 WeakPolarHBondContact CE1-O 3.49Å; Y262-L304 WeakPolarHBondContact OH-CA 3.47Å; Y262-L304 PolarHBondContact OH-O 3.4Å; Y262-P307 HydrophobicContact CD1-CB 4.21Å; Y262-P307 HydrophobicContact CD1-CG 4.39Å; Y262-P307 HydrophobicContact CE1-CB 3.95Å; Y262-P307 HydrophobicContact CE1-CG 3.72Å |
| 263 | C | 92.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.7 | -33.2 | -176.6 | -66.1 | 0 | 0 | 0 | 0 | 112 | Y259 I349 | Y259-C263 WeakPolarHBondContact O-CB 3.48Å; Y259-C263 PolarHBondContact O-N 3.39Å; Y259-C263 PolarHBondContact O-SG 3.23Å; C263-I349 HydrophobicContact CB-CG2 3.63Å |
| 264 | S | 91.9 | Very high | 92.5 | Very high | 21 Ų | 21 | 35.1 Ų | 35.1 | 15% | 0.147 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.9 | -33.1 | 177.2 | 68.3 | 0 | 0 | 0 | 0 | 112.8 | K260 N261 Y262 S356 | K260-S264 WeakPolarHBondContact O-CB 3.3Å; K260-S264 PolarHBondContact O-N 3.45Å; K260-S264 PolarHBondContact O-OG 2.9Å; N261-S264 WeakPolarHBondContact CA-OG 3.46Å; N261-S264 PolarHBondContact O-OG 3.17Å; Y262-S264 VanDerWaalsContact C-N 3.34Å; Y262-S264 PolarHBondContact O-N 3.4Å; S264-S356 WeakPolarHBondContact CB-OG 3.26Å |
| 265 | N | 91.6 | Very high | 92.3 | Very high | 50 Ų | 50 | 36.6 Ų | 36.6 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -82.4 | -9.3 | 177.8 | -172.5 | 59.9 | 0 | 0 | 0 | 114 | H213 N261 Y262 L267 A268 A269 | H213-N265 PolarHBondContact CE1-OD1 3.42Å; H213-N265 VanDerWaalsContact CE1-OD1 3.22Å; H213-N265 PolarHBondContact O-ND2 3.45Å; N261-N265 VanDerWaalsContact O-CB 3.31Å; N261-N265 WeakPolarHBondContact O-CB 3.34Å; N261-N265 PolarHBondContact O-N 2.83Å; N261-N265 VanDerWaalsContact O-N 3.14Å; Y262-N265 PolarHBondContact O-N 3.41Å; N265-L267 PolarHBondContact O-N 3.46Å; N265-L267 VanDerWaalsContact O-N 3.11Å; N265-A268 PolarHBondContact O-N 2.93Å; N265-A269 WeakPolarHBondContact O-CB 3.44Å; N265-A269 PolarHBondContact O-N 3.23Å |
| 266 | Q | 88.9 | Confident | 92.2 | Very high | 13 Ų | 13 | 37.1 Ų | 37.1 | 6% | 0.061 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55.1 | -35.5 | -175 | -91.8 | -162.7 | -25.6 | 0 | 0 | 113.8 | Y262 K270 W301 L304 D305 | Y262-Q266 HydrophobicContact CE1-CG 4.47Å; Y262-Q266 PolarHBondContact O-N 3.39Å; Q266-K270 VanDerWaalsContact O-CB 3.3Å; Q266-K270 WeakPolarHBondContact O-CB 3.37Å; Q266-K270 PolarHBondContact O-N 3.05Å; Q266-W301 HydrophobicContact CB-CH2 4.32Å; Q266-W301 HydrophobicContact CG-CH2 4.41Å; Q266-W301 WeakPolarHBondContact O-CH2 3.4Å; Q266-L304 PolarHBondContact NE2-O 3.18Å; Q266-L304 VanDerWaalsContact NE2-O 3.08Å; Q266-D305 PolarHBondContact NE2-OD1 3.41Å |
| 267 | L | 91.8 | Very high | 92 | Very high | 48 Ų | 48 | 39.9 Ų | 39.9 | 25% | 0.251 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.1 | -46.4 | 177.7 | 179 | 61.6 | 0 | 0 | 0 | 111.6 | N265 K270 A271 E357 Y360 Y361 | N265-L267 PolarHBondContact O-N 3.46Å; N265-L267 VanDerWaalsContact O-N 3.11Å; L267-K270 PolarHBondContact O-N 2.95Å; L267-A271 WeakPolarHBondContact O-CB 3.44Å; L267-A271 PolarHBondContact O-N 3.03Å; L267-E357 HydrophobicContact CD2-CB 4.03Å; L267-E357 HydrophobicContact CD2-CG 3.78Å; L267-Y360 HydrophobicContact CD2-CD1 3.58Å; L267-Y360 HydrophobicContact CD2-CE1 4.13Å; L267-Y360 HydrophobicContact CD2-CG 3.91Å; L267-Y360 HydrophobicContact CG-CD1 4.13Å; L267-Y360 HydrophobicContact CG-CE1 4.26Å; L267-Y360 HydrophobicContact CG-CG 4.4Å; L267-Y361 HydrophobicContact CD2-CE2 3.96Å |
| 268 | A | 92.6 | Very high | 92 | Very high | 18 Ų | 18 | 44.2 Ų | 44.2 | 15% | 0.149 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68 | -43.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | H213 N265 K270 A271 L272 Y360 | H213-A268 WeakPolarHBondContact NE2-CB 3.32Å; N265-A268 PolarHBondContact O-N 2.93Å; A268-K270 VanDerWaalsContact C-N 3.33Å; A268-K270 PolarHBondContact O-N 3.49Å; A268-A271 PolarHBondContact O-N 2.99Å; A268-L272 PolarHBondContact O-N 2.98Å; A268-Y360 HydrophobicContact CB-CD2 4.15Å; A268-Y360 HydrophobicContact CB-CE2 4.01Å |
| 269 | A | 94 | Very high | 92.2 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.033 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.3 | -44.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | H213 N265 L272 L273 | H213-A269 WeakPolarHBondContact O-CB 3.28Å; N265-A269 WeakPolarHBondContact O-CB 3.44Å; N265-A269 PolarHBondContact O-N 3.23Å; A269-L272 PolarHBondContact O-N 3.17Å; A269-L273 WeakPolarHBondContact O-CB 3.44Å; A269-L273 PolarHBondContact O-N 3.04Å |
| 270 | K | 93.7 | Very high | 92.4 | Very high | 59 Ų | 59 | 53.1 Ų | 53.1 | 26% | 0.257 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | 176.2 | -175.7 | 50.8 | 162.8 | 60.9 | 0 | 111.9 | Q266 L267 A268 L272 L273 D274 W301 | Q266-K270 VanDerWaalsContact O-CB 3.3Å; Q266-K270 WeakPolarHBondContact O-CB 3.37Å; Q266-K270 PolarHBondContact O-N 3.05Å; L267-K270 PolarHBondContact O-N 2.95Å; A268-K270 VanDerWaalsContact C-N 3.33Å; A268-K270 PolarHBondContact O-N 3.49Å; K270-L272 VanDerWaalsContact C-N 3.33Å; K270-L272 PolarHBondContact O-N 2.92Å; K270-L273 PolarHBondContact O-N 2.77Å; K270-D274 IonicContact NZ-OD1 3.09Å; K270-D274 PolarHBondContact NZ-OD1 3.23Å; K270-D274 IonicContact NZ-OD2 2.66Å; K270-D274 PolarHBondContact NZ-OD2 2.95Å; K270-D274 WeakPolarHBondContact O-CB 3.43Å; K270-D274 VanDerWaalsContact O-CG 3.29Å; K270-D274 PolarHBondContact O-N 3.15Å; K270-W301 HydrophobicContact CB-CE3 4.39Å; K270-W301 HydrophobicContact CB-CH2 3.52Å; K270-W301 HydrophobicContact CB-CZ2 4.09Å; K270-W301 HydrophobicContact CB-CZ3 3.68Å; K270-W301 HydrophobicContact CD-CD2 3.66Å; K270-W301 HydrophobicContact CD-CE3 3.62Å; K270-W301 HydrophobicContact CD-CG 4.32Å; K270-W301 HydrophobicContact CD-CH2 4.05Å; K270-W301 HydrophobicContact CD-CZ2 4.07Å; K270-W301 HydrophobicContact CD-CZ3 3.82Å; K270-W301 HydrophobicContact CG-CH2 4.09Å; K270-W301 HydrophobicContact CG-CZ2 4.19Å; K270-W301 HydrophobicContact CG-CZ3 4.24Å |
| 271 | A | 92.4 | Very high | 92.6 | Very high | 32 Ų | 32 | 56.7 Ų | 56.7 | 26% | 0.264 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L267 A268 D274 Q275 Y360 | L267-A271 WeakPolarHBondContact O-CB 3.44Å; L267-A271 PolarHBondContact O-N 3.03Å; A268-A271 PolarHBondContact O-N 2.99Å; A271-D274 PolarHBondContact O-N 3.17Å; A271-Q275 WeakPolarHBondContact O-CB 3.47Å; A271-Q275 PolarHBondContact O-N 3.47Å; A271-Y360 VanDerWaalsContact CB-OH 3.3Å; A271-Y360 WeakPolarHBondContact CB-OH 3.41Å |
| 272 | L | 93.8 | Very high | 93 | Very high | 27 Ų | 27 | 50.9 Ų | 50.9 | 14% | 0.141 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65 | -43.9 | 175.5 | -178.6 | 60 | 0 | 0 | 0 | 111.4 | E210 H213 I214 A268 A269 K270 D274 Q275 K276 | E210-L272 HydrophobicContact CB-CD2 4.19Å; E210-L272 HydrophobicContact CG-CD2 4.3Å; H213-L272 HydrophobicContact CB-CD2 3.98Å; I214-L272 HydrophobicContact CD1-CD2 4.18Å; I214-L272 HydrophobicContact CD1-CG 4.19Å; I214-L272 HydrophobicContact CG1-CB 4.46Å; I214-L272 HydrophobicContact CG1-CD2 4Å; I214-L272 HydrophobicContact CG1-CG 4.28Å; A268-L272 PolarHBondContact O-N 2.98Å; A269-L272 PolarHBondContact O-N 3.17Å; K270-L272 VanDerWaalsContact C-N 3.33Å; K270-L272 PolarHBondContact O-N 2.92Å; L272-D274 PolarHBondContact O-N 2.93Å; L272-Q275 WeakPolarHBondContact O-CB 3.29Å; L272-Q275 PolarHBondContact O-N 3.35Å; L272-K276 HydrophobicContact CD1-CG 4.07Å; L272-K276 HydrophobicContact CG-CG 4.31Å; L272-K276 WeakPolarHBondContact O-CB 3.14Å; L272-K276 VanDerWaalsContact O-CG 3.27Å; L272-K276 WeakPolarHBondContact O-CG 3.35Å; L272-K276 PolarHBondContact O-N 3.31Å |
| 273 | L | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 177.2 | -179.4 | 60.9 | 0 | 0 | 0 | 111.7 | I214 A269 K270 Q275 K276 K277 L300 W301 L304 | I214-L273 HydrophobicContact CD1-CB 4.35Å; I214-L273 HydrophobicContact CD1-CD1 4.46Å; A269-L273 WeakPolarHBondContact O-CB 3.44Å; A269-L273 PolarHBondContact O-N 3.04Å; K270-L273 PolarHBondContact O-N 2.77Å; L273-Q275 VanDerWaalsContact C-N 3.34Å; L273-K276 PolarHBondContact O-N 3.18Å; L273-K277 WeakPolarHBondContact O-CB 3.42Å; L273-K277 VanDerWaalsContact O-CG 3.29Å; L273-K277 WeakPolarHBondContact O-CG 3.41Å; L273-K277 PolarHBondContact O-N 3.23Å; L273-L300 HydrophobicContact CD1-CD2 3.95Å; L273-L300 HydrophobicContact CD2-CD2 4.27Å; L273-L300 HydrophobicContact CD2-CG 4.44Å; L273-W301 HydrophobicContact CD2-CE3 4.19Å; L273-L304 HydrophobicContact CD2-CD1 4.23Å |
| 274 | D | 92.8 | Very high | 93.4 | Very high | 66 Ų | 66 | 58.9 Ų | 58.9 | 35% | 0.353 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.1 | -37.2 | 176.9 | -71.4 | -19.2 | 0 | 0 | 0 | 112.1 | K270 A271 L272 | K270-D274 IonicContact NZ-OD1 3.09Å; K270-D274 PolarHBondContact NZ-OD1 3.23Å; K270-D274 IonicContact NZ-OD2 2.66Å; K270-D274 PolarHBondContact NZ-OD2 2.95Å; K270-D274 WeakPolarHBondContact O-CB 3.43Å; K270-D274 VanDerWaalsContact O-CG 3.29Å; K270-D274 PolarHBondContact O-N 3.15Å; A271-D274 PolarHBondContact O-N 3.17Å; L272-D274 PolarHBondContact O-N 2.93Å |
| 275 | Q | 91.9 | Very high | 93.7 | Very high | 96 Ų | 96 | 58.9 Ų | 58.9 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | 171.4 | -178 | -172.9 | 1.4 | 0 | 0 | 110.9 | A271 L272 L273 K277 Q278 | A271-Q275 WeakPolarHBondContact O-CB 3.47Å; A271-Q275 PolarHBondContact O-N 3.47Å; L272-Q275 WeakPolarHBondContact O-CB 3.29Å; L272-Q275 PolarHBondContact O-N 3.35Å; L273-Q275 VanDerWaalsContact C-N 3.34Å; Q275-K277 VanDerWaalsContact C-N 3.27Å; Q275-K277 PolarHBondContact O-N 2.92Å; Q275-Q278 VanDerWaalsContact O-CB 3.29Å; Q275-Q278 WeakPolarHBondContact O-CB 3.31Å; Q275-Q278 WeakPolarHBondContact O-CG 2.81Å; Q275-Q278 PolarHBondContact O-N 3.48Å |
| 276 | K | 93.1 | Very high | 93.9 | Very high | 41 Ų | 41 | 57.3 Ų | 57.3 | 18% | 0.178 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.4 | -27.3 | -178.5 | -72.2 | -69.8 | 176.4 | 172.4 | 0 | 113.2 | M206 E210 L272 L273 Q278 D279 V282 | M206-K276 HydrophobicContact CG-CD 4.42Å; M206-K276 HydrophobicContact SD-CB 4.12Å; M206-K276 HydrophobicContact SD-CD 4.35Å; M206-K276 HydrophobicContact SD-CG 3.95Å; E210-K276 WeakPolarHBondContact OE1-CE 3.32Å; E210-K276 IonicContact OE1-NZ 2.66Å; E210-K276 PolarHBondContact OE1-NZ 3.31Å; E210-K276 VanDerWaalsContact OE2-CE 3.26Å; E210-K276 WeakPolarHBondContact OE2-CE 3.23Å; E210-K276 IonicContact OE2-NZ 3.26Å; E210-K276 PolarHBondContact OE2-NZ 2.89Å; L272-K276 HydrophobicContact CD1-CG 4.07Å; L272-K276 HydrophobicContact CG-CG 4.31Å; L272-K276 WeakPolarHBondContact O-CB 3.14Å; L272-K276 VanDerWaalsContact O-CG 3.27Å; L272-K276 WeakPolarHBondContact O-CG 3.35Å; L272-K276 PolarHBondContact O-N 3.31Å; L273-K276 PolarHBondContact O-N 3.18Å; K276-Q278 PolarHBondContact O-N 3.38Å; K276-D279 WeakPolarHBondContact O-CB 3.36Å; K276-D279 PolarHBondContact O-N 2.96Å; K276-V282 HydrophobicContact CB-CG1 4.39Å; K276-V282 HydrophobicContact CB-CG2 4.37Å; K276-V282 WeakPolarHBondContact O-CB 3.12Å |
| 277 | K | 91.8 | Very high | 94.2 | Very high | 58 Ų | 58 | 61.2 Ų | 61.2 | 25% | 0.252 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -7.3 | 168.2 | -79.7 | 175.4 | 177 | -177.7 | 0 | 113.3 | L273 Q275 Q283 L286 | L273-K277 WeakPolarHBondContact O-CB 3.42Å; L273-K277 VanDerWaalsContact O-CG 3.29Å; L273-K277 WeakPolarHBondContact O-CG 3.41Å; L273-K277 PolarHBondContact O-N 3.23Å; Q275-K277 VanDerWaalsContact C-N 3.27Å; Q275-K277 PolarHBondContact O-N 2.92Å; K277-Q283 WeakPolarHBondContact O-CG 3.16Å; K277-Q283 PolarHBondContact O-NE2 3.45Å; K277-L286 HydrophobicContact CG-CD1 4.05Å |
| 278 | Q | 91.1 | Very high | 94.4 | Very high | 158 Ų | 158 | 66 Ų | 66 | 74% | 0.738 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -20.5 | 169.5 | -58.2 | 179.2 | 14.6 | 0 | 0 | 112.5 | Q275 K276 K280 | Q275-Q278 VanDerWaalsContact O-CB 3.29Å; Q275-Q278 WeakPolarHBondContact O-CB 3.31Å; Q275-Q278 WeakPolarHBondContact O-CG 2.81Å; Q275-Q278 PolarHBondContact O-N 3.48Å; K276-Q278 PolarHBondContact O-N 3.38Å; Q278-K280 PolarHBondContact O-N 3.14Å |
| 279 | D | 94.3 | Very high | 94.5 | Very high | 54 Ų | 54 | 65.3 Ų | 65.3 | 29% | 0.289 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -74.3 | 124.6 | 173 | -173.5 | -23.9 | 0 | 0 | 0 | 109.7 | K276 R281 V282 Q283 | K276-D279 WeakPolarHBondContact O-CB 3.36Å; K276-D279 PolarHBondContact O-N 2.96Å; D279-R281 PolarHBondContact O-N 3.22Å; D279-R281 WeakPolarHBondContact OD1-CB 3.36Å; D279-R281 PolarHBondContact OD1-N 3.21Å; D279-R281 IonicContact OD1-NE 3.16Å; D279-R281 IonicContact OD2-NE 3.59Å; D279-R281 IonicContact OD2-NH2 3.81Å; D279-V282 HydrophobicContact CB-CB 4.31Å; D279-V282 HydrophobicContact CB-CG2 3.95Å; D279-V282 PolarHBondContact O-N 2.82Å; D279-V282 VanDerWaalsContact O-N 3.15Å; D279-Q283 PolarHBondContact O-N 3.01Å |
| 280 | K | 95.9 | Very high | 94.4 | Very high | 176 Ų | 176 | 68 Ų | 68 | 77% | 0.765 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -57 | -35.5 | 178.6 | -68 | -177.9 | 179 | 177.8 | 0 | 112.6 | Q278 Q283 D284 | Q278-K280 PolarHBondContact O-N 3.14Å; K280-Q283 PolarHBondContact O-N 2.71Å; K280-D284 VanDerWaalsContact O-CB 3.28Å; K280-D284 WeakPolarHBondContact O-CB 3.43Å; K280-D284 PolarHBondContact O-N 3.28Å |
| 281 | R | 96.6 | Very high | 94.4 | Very high | 132 Ų | 132 | 71.6 Ų | 71.6 | 50% | 0.498 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 179.2 | -65.1 | -173.3 | -63.5 | 149 | 5.7 | 111.4 | S204 D279 F285 | S204-R281 PolarHBondContact O-NH1 3.39Å; D279-R281 PolarHBondContact O-N 3.22Å; D279-R281 WeakPolarHBondContact OD1-CB 3.36Å; D279-R281 PolarHBondContact OD1-N 3.21Å; D279-R281 IonicContact OD1-NE 3.16Å; D279-R281 IonicContact OD2-NE 3.59Å; D279-R281 IonicContact OD2-NH2 3.81Å; R281-F285 WeakPolarHBondContact O-CB 3.36Å; R281-F285 PolarHBondContact O-N 2.82Å; R281-F285 VanDerWaalsContact O-N 3.08Å |
| 282 | V | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67.5 | -47.3 | 176.3 | 178 | 0 | 0 | 0 | 0 | 109.9 | I205 M206 K276 D279 D284 F285 L286 | I205-V282 HydrophobicContact CG2-CB 4.35Å; I205-V282 HydrophobicContact CG2-CG2 3.68Å; M206-V282 HydrophobicContact CG-CG2 4.22Å; K276-V282 HydrophobicContact CB-CG1 4.39Å; K276-V282 HydrophobicContact CB-CG2 4.37Å; K276-V282 WeakPolarHBondContact O-CB 3.12Å; D279-V282 HydrophobicContact CB-CB 4.31Å; D279-V282 HydrophobicContact CB-CG2 3.95Å; D279-V282 PolarHBondContact O-N 2.82Å; D279-V282 VanDerWaalsContact O-N 3.15Å; V282-D284 PolarHBondContact O-N 3.35Å; V282-F285 PolarHBondContact O-N 2.79Å; V282-L286 HydrophobicContact CG1-CD1 3.96Å; V282-L286 HydrophobicContact CG1-CG 4.32Å; V282-L286 VanDerWaalsContact O-CG 3.3Å; V282-L286 WeakPolarHBondContact O-CG 3.44Å; V282-L286 PolarHBondContact O-N 3.17Å |
| 283 | Q | 95.9 | Very high | 94.3 | Very high | 110 Ų | 110 | 73.6 Ų | 73.6 | 51% | 0.514 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.4 | -49.6 | 177.8 | -72.3 | -163.5 | -13.2 | 0 | 0 | 112.5 | K277 D279 K280 F285 L286 Q287 | K277-Q283 WeakPolarHBondContact O-CG 3.16Å; K277-Q283 PolarHBondContact O-NE2 3.45Å; D279-Q283 PolarHBondContact O-N 3.01Å; K280-Q283 PolarHBondContact O-N 2.71Å; Q283-F285 VanDerWaalsContact C-N 3.33Å; Q283-F285 PolarHBondContact O-N 3.22Å; Q283-L286 PolarHBondContact O-N 2.59Å; Q283-Q287 WeakPolarHBondContact O-CB 3.37Å; Q283-Q287 PolarHBondContact O-N 2.67Å |
| 284 | D | 97 | Very high | 94 | Very high | 73 Ų | 73 | 77 Ų | 77 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 179.7 | 175.8 | 49.9 | 0 | 0 | 0 | 111.3 | K280 V282 Q287 R288 | K280-D284 VanDerWaalsContact O-CB 3.28Å; K280-D284 WeakPolarHBondContact O-CB 3.43Å; K280-D284 PolarHBondContact O-N 3.28Å; V282-D284 PolarHBondContact O-N 3.35Å; D284-Q287 PolarHBondContact O-N 3.11Å; D284-R288 VanDerWaalsContact O-CG 3.28Å; D284-R288 WeakPolarHBondContact O-CG 3.32Å; D284-R288 PolarHBondContact O-N 3.3Å; D284-R288 IonicContact OD1-CZ 3.23Å; D284-R288 IonicContact OD1-NE 3.25Å; D284-R288 PolarHBondContact OD1-NE 3.41Å; D284-R288 VanDerWaalsContact OD1-NE 3.16Å; D284-R288 IonicContact OD1-NH2 3.79Å; D284-R288 IonicContact OD2-CZ 3.66Å; D284-R288 IonicContact OD2-NE 3.83Å; D284-R288 PolarHBondContact OD2-NE 3.08Å; D284-R288 VanDerWaalsContact OD2-NE 3.09Å; D284-R288 IonicContact OD2-NH2 3.71Å; D284-R288 PolarHBondContact OD2-NH2 2.93Å |
| 285 | F | 97.3 | Very high | 93.8 | Very high | 21 Ų | 21 | 73.9 Ų | 73.9 | 9% | 0.092 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60 | -50.5 | 175 | 178.7 | -93.3 | 0 | 0 | 0 | 112.6 | Y196 P199 M200 I205 R281 V282 Q283 Q287 R288 C289 | Y196-F285 HydrophobicContact CD1-CE1 4.36Å; P199-F285 HydrophobicContact CB-CE2 3.76Å; P199-F285 HydrophobicContact CB-CZ 3.83Å; P199-F285 HydrophobicContact CG-CZ 4.47Å; M200-F285 HydrophobicContact CE-CE1 4.33Å; M200-F285 HydrophobicContact CG-CD1 3.57Å; M200-F285 HydrophobicContact CG-CE1 3.33Å; M200-F285 HydrophobicContact CG-CE2 4.33Å; M200-F285 HydrophobicContact CG-CG 4.19Å; M200-F285 HydrophobicContact CG-CZ 3.75Å; M200-F285 HydrophobicContact SD-CD1 3.73Å; M200-F285 HydrophobicContact SD-CE1 3.7Å; I205-F285 HydrophobicContact CD1-CB 3.79Å; I205-F285 HydrophobicContact CD1-CD2 3.46Å; I205-F285 VanDerWaalsContact CD1-CD2 3.46Å; I205-F285 HydrophobicContact CD1-CE2 4.2Å; I205-F285 HydrophobicContact CD1-CG 3.67Å; R281-F285 WeakPolarHBondContact O-CB 3.36Å; R281-F285 PolarHBondContact O-N 2.82Å; R281-F285 VanDerWaalsContact O-N 3.08Å; V282-F285 PolarHBondContact O-N 2.79Å; Q283-F285 VanDerWaalsContact C-N 3.33Å; Q283-F285 PolarHBondContact O-N 3.22Å; F285-Q287 VanDerWaalsContact C-N 3.26Å; F285-Q287 PolarHBondContact O-N 3.23Å; F285-R288 PolarHBondContact O-N 3.08Å; F285-C289 VanDerWaalsContact CE1-SG 3.52Å; F285-C289 PolarHBondContact O-N 2.84Å; F285-C289 PolarHBondContact O-SG 3.12Å; F285-C289 VanDerWaalsContact O-SG 3.35Å |
| 286 | L | 95.8 | Very high | 93.7 | Very high | 18 Ų | 18 | 72.5 Ų | 72.5 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -36 | 179.4 | -67.5 | 178.9 | 0 | 0 | 0 | 111.9 | Y196 K277 V282 Q283 C289 L290 L300 | Y196-L286 HydrophobicContact CD1-CD2 4.33Å; K277-L286 HydrophobicContact CG-CD1 4.05Å; V282-L286 HydrophobicContact CG1-CD1 3.96Å; V282-L286 HydrophobicContact CG1-CG 4.32Å; V282-L286 VanDerWaalsContact O-CG 3.3Å; V282-L286 WeakPolarHBondContact O-CG 3.44Å; V282-L286 PolarHBondContact O-N 3.17Å; Q283-L286 PolarHBondContact O-N 2.59Å; L286-C289 WeakPolarHBondContact O-CB 3.47Å; L286-C289 PolarHBondContact O-N 3.08Å; L286-L290 WeakPolarHBondContact O-CG 3.46Å; L286-L290 PolarHBondContact O-N 3.13Å; L286-L300 HydrophobicContact CD2-CB 3.86Å; L286-L300 HydrophobicContact CD2-CD2 3.83Å; L286-L300 HydrophobicContact CD2-CG 4.49Å |
| 287 | Q | 95.5 | Very high | 93.5 | Very high | 95 Ų | 95 | 78.9 Ų | 78.9 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 175.6 | -175.9 | 58.6 | 34.9 | 0 | 0 | 111.6 | Q283 D284 F285 C289 L290 E291 | Q283-Q287 WeakPolarHBondContact O-CB 3.37Å; Q283-Q287 PolarHBondContact O-N 2.67Å; D284-Q287 PolarHBondContact O-N 3.11Å; F285-Q287 VanDerWaalsContact C-N 3.26Å; F285-Q287 PolarHBondContact O-N 3.23Å; Q287-C289 VanDerWaalsContact C-N 3.3Å; Q287-C289 PolarHBondContact O-N 3.22Å; Q287-L290 WeakPolarHBondContact O-CB 3.42Å; Q287-L290 PolarHBondContact O-N 3.25Å; Q287-L290 VanDerWaalsContact O-N 3.14Å; Q287-E291 PolarHBondContact NE2-OE1 3.35Å; Q287-E291 WeakPolarHBondContact O-CG 3.38Å; Q287-E291 PolarHBondContact O-N 3.31Å |
| 288 | R | 95.8 | Very high | 93.5 | Very high | 147 Ų | 147 | 79.1 Ų | 79.1 | 56% | 0.555 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -61.7 | -36.9 | 174.7 | -68 | 169.8 | -169.9 | -159.4 | 4.1 | 112.4 | D284 F285 E291 S292 | D284-R288 VanDerWaalsContact O-CG 3.28Å; D284-R288 WeakPolarHBondContact O-CG 3.32Å; D284-R288 PolarHBondContact O-N 3.3Å; D284-R288 IonicContact OD1-CZ 3.23Å; D284-R288 IonicContact OD1-NE 3.25Å; D284-R288 PolarHBondContact OD1-NE 3.41Å; D284-R288 VanDerWaalsContact OD1-NE 3.16Å; D284-R288 IonicContact OD1-NH2 3.79Å; D284-R288 IonicContact OD2-CZ 3.66Å; D284-R288 IonicContact OD2-NE 3.83Å; D284-R288 PolarHBondContact OD2-NE 3.08Å; D284-R288 VanDerWaalsContact OD2-NE 3.09Å; D284-R288 IonicContact OD2-NH2 3.71Å; D284-R288 PolarHBondContact OD2-NH2 2.93Å; F285-R288 PolarHBondContact O-N 3.08Å; R288-E291 PolarHBondContact O-N 3.1Å; R288-S292 PolarHBondContact O-N 3.08Å; R288-S292 VanDerWaalsContact O-N 3.15Å; R288-S292 PolarHBondContact O-OG 2.89Å |
| 289 | C | 94.6 | Very high | 93.6 | Very high | 5 Ų | 5 | 74.1 Ų | 74.1 | 3% | 0.034 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 173.2 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | Y196 F285 L286 Q287 E291 S292 F294 S295 | Y196-C289 HydrophobicContact CD1-CB 4.31Å; Y196-C289 HydrophobicContact CE1-CB 3.56Å; F285-C289 VanDerWaalsContact CE1-SG 3.52Å; F285-C289 PolarHBondContact O-N 2.84Å; F285-C289 PolarHBondContact O-SG 3.12Å; F285-C289 VanDerWaalsContact O-SG 3.35Å; L286-C289 WeakPolarHBondContact O-CB 3.47Å; L286-C289 PolarHBondContact O-N 3.08Å; Q287-C289 VanDerWaalsContact C-N 3.3Å; Q287-C289 PolarHBondContact O-N 3.22Å; C289-E291 VanDerWaalsContact C-N 3.28Å; C289-E291 PolarHBondContact O-N 3.15Å; C289-S292 WeakPolarHBondContact O-CB 3.49Å; C289-S292 PolarHBondContact O-N 3.15Å; C289-S292 VanDerWaalsContact O-N 3.08Å; C289-F294 HydrophobicContact CB-CE2 4.22Å; C289-F294 HydrophobicContact CB-CZ 3.88Å; C289-S295 WeakPolarHBondContact O-CB 3.39Å; C289-S295 PolarHBondContact O-OG 2.81Å; C289-S295 VanDerWaalsContact O-OG 3.1Å |
| 290 | L | 92.9 | Very high | 93.5 | Very high | 59 Ų | 59 | 71.8 Ų | 71.8 | 31% | 0.309 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.4 | -34 | 177.6 | -76.9 | 170.9 | 0 | 0 | 0 | 113.1 | L286 Q287 S292 S295 L298 D299 | L286-L290 WeakPolarHBondContact O-CG 3.46Å; L286-L290 PolarHBondContact O-N 3.13Å; Q287-L290 WeakPolarHBondContact O-CB 3.42Å; Q287-L290 PolarHBondContact O-N 3.25Å; Q287-L290 VanDerWaalsContact O-N 3.14Å; L290-S292 VanDerWaalsContact C-N 3.28Å; L290-S295 PolarHBondContact O-OG 2.89Å; L290-L298 WeakPolarHBondContact CD2-O 3.5Å; L290-D299 HydrophobicContact CD2-CB 4.28Å |
| 291 | E | 93.4 | Very high | 93.4 | Very high | 136 Ų | 136 | 66 Ų | 66 | 64% | 0.636 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -75.5 | -19.4 | 176 | -70.9 | 169.6 | -169.4 | 0 | 0 | 112.8 | Q287 R288 C289 | Q287-E291 PolarHBondContact NE2-OE1 3.35Å; Q287-E291 WeakPolarHBondContact O-CG 3.38Å; Q287-E291 PolarHBondContact O-N 3.31Å; R288-E291 PolarHBondContact O-N 3.1Å; C289-E291 VanDerWaalsContact C-N 3.28Å; C289-E291 PolarHBondContact O-N 3.15Å |
| 292 | S | 92.4 | Very high | 93.2 | Very high | 40 Ų | 40 | 61.8 Ų | 61.8 | 28% | 0.28 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -82.8 | 141.5 | 180 | -63.2 | 0 | 0 | 0 | 0 | 112 | R288 C289 L290 F294 S295 | R288-S292 PolarHBondContact O-N 3.08Å; R288-S292 VanDerWaalsContact O-N 3.15Å; R288-S292 PolarHBondContact O-OG 2.89Å; C289-S292 WeakPolarHBondContact O-CB 3.49Å; C289-S292 PolarHBondContact O-N 3.15Å; C289-S292 VanDerWaalsContact O-N 3.08Å; L290-S292 VanDerWaalsContact C-N 3.28Å; S292-F294 VanDerWaalsContact CB-CD1 3.43Å; S292-F294 PolarHBondContact O-N 3.38Å; S292-F294 VanDerWaalsContact O-N 3.15Å; S292-S295 PolarHBondContact O-N 3.44Å; S292-S295 PolarHBondContact O-OG 3.18Å |
| 293 | P | 90.3 | Very high | 93 | Very high | 60 Ų | 60 | 62 Ų | 62 | 39% | 0.39 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -61.3 | -28.1 | -175.5 | -25.3 | 34.2 | 0 | 0 | 0 | 115.1 | T142 S295 R296 | T142-P293 WeakPolarHBondContact OG1-CG 3.27Å; P293-S295 PolarHBondContact O-N 3.03Å; P293-R296 PolarHBondContact O-N 2.98Å |
| 294 | F | 90.1 | Very high | 92.8 | Very high | 72 Ų | 72 | 56.9 Ų | 56.9 | 32% | 0.316 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -62.6 | -30.7 | -177.9 | 69 | -105.2 | 0 | 0 | 0 | 112.4 | L191 A195 Y196 C289 S292 R296 | L191-F294 HydrophobicContact CD1-CB 4.04Å; L191-F294 HydrophobicContact CD1-CD2 3.86Å; L191-F294 HydrophobicContact CD1-CG 4.18Å; L191-F294 HydrophobicContact CD2-CB 4.5Å; L191-F294 HydrophobicContact CD2-CD2 4.26Å; L191-F294 WeakPolarHBondContact CD2-O 3.31Å; L191-F294 HydrophobicContact CG-CD2 4.32Å; A195-F294 HydrophobicContact CB-CD2 3.98Å; A195-F294 HydrophobicContact CB-CE2 3.63Å; A195-F294 HydrophobicContact CB-CZ 3.94Å; Y196-F294 AromaticContact CE2-CE2 3.87Å; Y196-F294 HydrophobicContact CE2-CE2 3.87Å; Y196-F294 AromaticContact CZ-CE2 3.95Å; C289-F294 HydrophobicContact CB-CE2 4.22Å; C289-F294 HydrophobicContact CB-CZ 3.88Å; S292-F294 VanDerWaalsContact CB-CD1 3.43Å; S292-F294 PolarHBondContact O-N 3.38Å; S292-F294 VanDerWaalsContact O-N 3.15Å; F294-R296 PolarHBondContact O-N 2.66Å |
| 295 | S | 87 | Confident | 92.6 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -68.2 | -19.9 | -177.6 | 66.4 | 0 | 0 | 0 | 0 | 112.3 | C289 L290 S292 P293 K297 L298 | C289-S295 WeakPolarHBondContact O-CB 3.39Å; C289-S295 PolarHBondContact O-OG 2.81Å; C289-S295 VanDerWaalsContact O-OG 3.1Å; L290-S295 PolarHBondContact O-OG 2.89Å; S292-S295 PolarHBondContact O-N 3.44Å; S292-S295 PolarHBondContact O-OG 3.18Å; P293-S295 PolarHBondContact O-N 3.03Å; S295-K297 PolarHBondContact O-N 3.41Å; S295-K297 VanDerWaalsContact O-N 3.11Å; S295-K297 PolarHBondContact OG-N 3.27Å; S295-L298 VanDerWaalsContact O-CB 3.28Å; S295-L298 WeakPolarHBondContact O-CB 3.47Å; S295-L298 PolarHBondContact O-N 3.23Å |
| 296 | R | 90.6 | Very high | 92.3 | Very high | 68 Ų | 68 | 55.6 Ų | 55.6 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 28.6 | -170.9 | -57.1 | 172 | -70 | 163.2 | -1 | 112 | R147 D188 P293 F294 L298 | R147-R296 VanDerWaalsContact NH1-NH1 3.16Å; D188-R296 IonicContact OD1-CZ 3.49Å; D188-R296 IonicContact OD1-NH2 2.66Å; D188-R296 PolarHBondContact OD1-NH2 3.16Å; D188-R296 IonicContact OD2-NH2 3.45Å; D188-R296 PolarHBondContact OD2-NH2 3.06Å; D188-R296 VanDerWaalsContact OD2-NH2 3.13Å; P293-R296 PolarHBondContact O-N 2.98Å; F294-R296 PolarHBondContact O-N 2.66Å; R296-L298 PolarHBondContact O-N 3.09Å |
| 297 | K | 89.6 | Confident | 92 | Very high | 174 Ų | 174 | 54.8 Ų | 54.8 | 76% | 0.757 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 18.4 | -173.9 | -51.5 | -178.9 | 177.9 | -176.7 | 0 | 114.5 | S295 | S295-K297 PolarHBondContact O-N 3.41Å; S295-K297 VanDerWaalsContact O-N 3.11Å; S295-K297 PolarHBondContact OG-N 3.27Å |
| 298 | L | 90.4 | Very high | 91.9 | Very high | 63 Ų | 63 | 51.4 Ų | 51.4 | 33% | 0.33 | 25% | 0.246 | S | C | . | . | trans | -87.7 | 139.1 | 170.5 | -60.7 | 175.3 | 0 | 0 | 0 | 109.3 | L290 S295 R296 F303 | L290-L298 WeakPolarHBondContact CD2-O 3.5Å; S295-L298 VanDerWaalsContact O-CB 3.28Å; S295-L298 WeakPolarHBondContact O-CB 3.47Å; S295-L298 PolarHBondContact O-N 3.23Å; R296-L298 PolarHBondContact O-N 3.09Å; L298-F303 HydrophobicContact CB-CD2 4.41Å; L298-F303 HydrophobicContact CB-CE2 3.88Å; L298-F303 HydrophobicContact CB-CZ 4.45Å | ||
| 299 | D | 92.8 | Very high | 91.7 | Very high | 54 Ų | 54 | 46.3 Ų | 46.3 | 29% | 0.289 | 23% | 0.233 | S | C | . | . | trans | -78.8 | 168 | 174.3 | 79.7 | -29.5 | 0 | 0 | 0 | 111.3 | L290 W301 S302 F303 | L290-D299 HydrophobicContact CD2-CB 4.28Å; D299-W301 PolarHBondContact O-N 3.24Å; D299-S302 WeakPolarHBondContact O-CB 3.37Å; D299-S302 PolarHBondContact O-N 3.46Å; D299-S302 VanDerWaalsContact O-N 3.14Å; D299-S302 WeakPolarHBondContact OD1-CB 3.49Å; D299-S302 PolarHBondContact OD1-N 3.45Å; D299-S302 PolarHBondContact OD1-OG 3.05Å; D299-F303 WeakPolarHBondContact O-CD2 3.48Å; D299-F303 PolarHBondContact O-N 3.3Å | ||
| 300 | L | 93.4 | Very high | 91.8 | Very high | 5 Ų | 5 | 47.2 Ų | 47.2 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.8 | -38.5 | 179.5 | 172.3 | 59.6 | 0 | 0 | 0 | 111.9 | Y196 M200 F215 L273 L286 S302 F303 L304 | Y196-L300 HydrophobicContact CD1-CB 4.09Å; Y196-L300 HydrophobicContact CD1-CD1 3.76Å; Y196-L300 HydrophobicContact CD1-CG 4.33Å; Y196-L300 HydrophobicContact CD2-CD1 4.41Å; Y196-L300 HydrophobicContact CE1-CB 4.06Å; Y196-L300 HydrophobicContact CE1-CD1 4.33Å; Y196-L300 HydrophobicContact CG-CD1 3.79Å; M200-L300 HydrophobicContact CE-CD2 4.17Å; F215-L300 HydrophobicContact CE1-CD1 3.78Å; F215-L300 HydrophobicContact CZ-CD1 3.66Å; F215-L300 HydrophobicContact CZ-CD2 4.08Å; F215-L300 HydrophobicContact CZ-CG 4.49Å; L273-L300 HydrophobicContact CD1-CD2 3.95Å; L273-L300 HydrophobicContact CD2-CD2 4.27Å; L273-L300 HydrophobicContact CD2-CG 4.44Å; L286-L300 HydrophobicContact CD2-CB 3.86Å; L286-L300 HydrophobicContact CD2-CD2 3.83Å; L286-L300 HydrophobicContact CD2-CG 4.49Å; L300-S302 VanDerWaalsContact C-N 3.29Å; L300-S302 PolarHBondContact O-N 3.08Å; L300-F303 PolarHBondContact O-N 2.85Å; L300-F303 VanDerWaalsContact O-N 3.11Å; L300-L304 HydrophobicContact CD1-CD1 4.25Å; L300-L304 HydrophobicContact CD1-CG 4.13Å; L300-L304 HydrophobicContact CG-CD1 3.97Å; L300-L304 HydrophobicContact CG-CG 4.32Å; L300-L304 WeakPolarHBondContact O-CG 3.47Å; L300-L304 PolarHBondContact O-N 3.25Å; L300-L304 VanDerWaalsContact O-N 3.08Å |
| 301 | W | 93.8 | Very high | 91.9 | Very high | 54 Ų | 54 | 44.6 Ų | 44.6 | 21% | 0.205 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -38.3 | -179.7 | -175 | -107.7 | 0 | 0 | 0 | 112.1 | Q266 K270 L273 D299 F303 L304 D305 | Q266-W301 HydrophobicContact CB-CH2 4.32Å; Q266-W301 HydrophobicContact CG-CH2 4.41Å; Q266-W301 WeakPolarHBondContact O-CH2 3.4Å; K270-W301 HydrophobicContact CB-CE3 4.39Å; K270-W301 HydrophobicContact CB-CH2 3.52Å; K270-W301 HydrophobicContact CB-CZ2 4.09Å; K270-W301 HydrophobicContact CB-CZ3 3.68Å; K270-W301 HydrophobicContact CD-CD2 3.66Å; K270-W301 HydrophobicContact CD-CE3 3.62Å; K270-W301 HydrophobicContact CD-CG 4.32Å; K270-W301 HydrophobicContact CD-CH2 4.05Å; K270-W301 HydrophobicContact CD-CZ2 4.07Å; K270-W301 HydrophobicContact CD-CZ3 3.82Å; K270-W301 HydrophobicContact CG-CH2 4.09Å; K270-W301 HydrophobicContact CG-CZ2 4.19Å; K270-W301 HydrophobicContact CG-CZ3 4.24Å; L273-W301 HydrophobicContact CD2-CE3 4.19Å; D299-W301 PolarHBondContact O-N 3.24Å; W301-F303 PolarHBondContact O-N 3.49Å; W301-L304 HydrophobicContact CE3-CB 4.17Å; W301-L304 HydrophobicContact CE3-CD1 3.99Å; W301-L304 HydrophobicContact CZ3-CB 4.39Å; W301-L304 HydrophobicContact CZ3-CD1 4.32Å; W301-L304 PolarHBondContact O-N 3.2Å; W301-L304 VanDerWaalsContact O-N 3.14Å; W301-D305 WeakPolarHBondContact O-CB 3.35Å; W301-D305 PolarHBondContact O-N 3.06Å |
| 302 | S | 92.9 | Very high | 92.1 | Very high | 44 Ų | 44 | 40.3 Ų | 40.3 | 31% | 0.308 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -55.9 | -40.5 | 174 | -59.9 | 0 | 0 | 0 | 0 | 111.9 | D299 L300 D305 I306 | D299-S302 WeakPolarHBondContact O-CB 3.37Å; D299-S302 PolarHBondContact O-N 3.46Å; D299-S302 VanDerWaalsContact O-N 3.14Å; D299-S302 WeakPolarHBondContact OD1-CB 3.49Å; D299-S302 PolarHBondContact OD1-N 3.45Å; D299-S302 PolarHBondContact OD1-OG 3.05Å; L300-S302 VanDerWaalsContact C-N 3.29Å; L300-S302 PolarHBondContact O-N 3.08Å; S302-D305 PolarHBondContact O-N 2.77Å; S302-I306 WeakPolarHBondContact O-CG1 3.44Å; S302-I306 PolarHBondContact O-N 3.42Å |
| 303 | F | 91.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69 | -41.1 | 175.7 | -75.3 | -82.3 | 0 | 0 | 0 | 112.9 | D188 L191 A192 Y196 L298 D299 L300 W301 D305 I306 | D188-F303 HydrophobicContact CB-CD1 4.39Å; D188-F303 HydrophobicContact CB-CE1 4.46Å; L191-F303 HydrophobicContact CD2-CE1 3.77Å; L191-F303 HydrophobicContact CD2-CZ 3.83Å; L191-F303 HydrophobicContact CG-CE1 4.5Å; A192-F303 HydrophobicContact CB-CB 4.31Å; Y196-F303 HydrophobicContact CE2-CD2 4.03Å; Y196-F303 HydrophobicContact CE2-CE2 4.05Å; Y196-F303 WeakPolarHBondContact OH-CE2 3.36Å; L298-F303 HydrophobicContact CB-CD2 4.41Å; L298-F303 HydrophobicContact CB-CE2 3.88Å; L298-F303 HydrophobicContact CB-CZ 4.45Å; D299-F303 WeakPolarHBondContact O-CD2 3.48Å; D299-F303 PolarHBondContact O-N 3.3Å; L300-F303 PolarHBondContact O-N 2.85Å; L300-F303 VanDerWaalsContact O-N 3.11Å; W301-F303 PolarHBondContact O-N 3.49Å; F303-D305 PolarHBondContact O-N 2.84Å; F303-I306 HydrophobicContact CB-CD1 4.41Å; F303-I306 HydrophobicContact CD1-CD1 3.7Å; F303-I306 HydrophobicContact CE1-CD1 4.38Å; F303-I306 HydrophobicContact CG-CD1 4.35Å; F303-I306 WeakPolarHBondContact O-CB 3.4Å; F303-I306 WeakPolarHBondContact O-CG1 3.34Å; F303-I306 PolarHBondContact O-N 2.98Å |
| 304 | L | 92.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.6 | -17.7 | 176.6 | -62.4 | 172.9 | 0 | 0 | 0 | 112.8 | I214 F215 Y262 Q266 L273 L300 W301 | I214-L304 HydrophobicContact CG2-CD1 3.53Å; I214-L304 HydrophobicContact CG2-CD2 4.43Å; F215-L304 HydrophobicContact CD1-CD2 3.71Å; F215-L304 HydrophobicContact CE1-CD2 4Å; F215-L304 HydrophobicContact CG-CD2 4.22Å; Y262-L304 WeakPolarHBondContact CE1-O 3.49Å; Y262-L304 WeakPolarHBondContact OH-CA 3.47Å; Y262-L304 PolarHBondContact OH-O 3.4Å; Q266-L304 PolarHBondContact NE2-O 3.18Å; Q266-L304 VanDerWaalsContact NE2-O 3.08Å; L273-L304 HydrophobicContact CD2-CD1 4.23Å; L300-L304 HydrophobicContact CD1-CD1 4.25Å; L300-L304 HydrophobicContact CD1-CG 4.13Å; L300-L304 HydrophobicContact CG-CD1 3.97Å; L300-L304 HydrophobicContact CG-CG 4.32Å; L300-L304 WeakPolarHBondContact O-CG 3.47Å; L300-L304 PolarHBondContact O-N 3.25Å; L300-L304 VanDerWaalsContact O-N 3.08Å; W301-L304 HydrophobicContact CE3-CB 4.17Å; W301-L304 HydrophobicContact CE3-CD1 3.99Å; W301-L304 HydrophobicContact CZ3-CB 4.39Å; W301-L304 HydrophobicContact CZ3-CD1 4.32Å; W301-L304 PolarHBondContact O-N 3.2Å; W301-L304 VanDerWaalsContact O-N 3.14Å |
| 305 | D | 92.1 | Very high | 93.1 | Very high | 35 Ų | 35 | 36.6 Ų | 36.6 | 19% | 0.187 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -10.2 | 177.3 | -161.9 | 52.6 | 0 | 0 | 0 | 113.7 | Q266 W301 S302 F303 R308 S309 | Q266-D305 PolarHBondContact NE2-OD1 3.41Å; W301-D305 WeakPolarHBondContact O-CB 3.35Å; W301-D305 PolarHBondContact O-N 3.06Å; S302-D305 PolarHBondContact O-N 2.77Å; F303-D305 PolarHBondContact O-N 2.84Å; D305-R308 PolarHBondContact O-N 2.97Å; D305-R308 IonicContact OD1-CZ 3.86Å; D305-R308 IonicContact OD1-NE 2.89Å; D305-R308 PolarHBondContact OD1-NE 2.89Å; D305-R308 IonicContact OD1-NH2 2.92Å; D305-R308 PolarHBondContact OD1-NH2 3.01Å; D305-R308 IonicContact OD2-CZ 2.68Å; D305-R308 IonicContact OD2-NE 2.62Å; D305-R308 IonicContact OD2-NH2 3.78Å; D305-R308 PolarHBondContact OD2-NH2 3.02Å; D305-S309 WeakPolarHBondContact O-CB 3.5Å; D305-S309 PolarHBondContact O-N 3.11Å |
| 306 | I | 91.3 | Very high | 93.6 | Very high | 31 Ų | 31 | 41.5 Ų | 41.5 | 16% | 0.159 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.4 | -47.5 | -178.9 | -66.6 | 175.1 | 0 | 0 | 0 | 112.4 | L185 D188 S302 F303 R308 S309 R310 | L185-I306 HydrophobicContact CD1-CG2 3.41Å; L185-I306 VanDerWaalsContact CD1-CG2 3.41Å; D188-I306 HydrophobicContact CB-CD1 3.6Å; S302-I306 WeakPolarHBondContact O-CG1 3.44Å; S302-I306 PolarHBondContact O-N 3.42Å; F303-I306 HydrophobicContact CB-CD1 4.41Å; F303-I306 HydrophobicContact CD1-CD1 3.7Å; F303-I306 HydrophobicContact CE1-CD1 4.38Å; F303-I306 HydrophobicContact CG-CD1 4.35Å; F303-I306 WeakPolarHBondContact O-CB 3.4Å; F303-I306 WeakPolarHBondContact O-CG1 3.34Å; F303-I306 PolarHBondContact O-N 2.98Å; I306-R308 VanDerWaalsContact C-N 3.34Å; I306-R308 PolarHBondContact O-N 3.27Å; I306-S309 WeakPolarHBondContact O-CB 3.26Å; I306-S309 PolarHBondContact O-N 2.97Å; I306-S309 VanDerWaalsContact O-N 3.15Å; I306-R310 WeakPolarHBondContact O-CB 3.17Å; I306-R310 PolarHBondContact O-N 3.01Å |
| 307 | P | 90.1 | Very high | 94 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.7 | -46.2 | -178 | -25.4 | 35.6 | 0 | 0 | 0 | 112.5 | L189 Y259 Y262 S309 R310 L311 | L189-P307 HydrophobicContact CD2-CG 4.04Å; Y259-P307 HydrophobicContact CD1-CB 3.84Å; Y259-P307 HydrophobicContact CE1-CB 3.41Å; Y259-P307 VanDerWaalsContact CE1-CB 3.41Å; Y259-P307 HydrophobicContact CE1-CG 4.03Å; Y262-P307 HydrophobicContact CD1-CB 4.21Å; Y262-P307 HydrophobicContact CD1-CG 4.39Å; Y262-P307 HydrophobicContact CE1-CB 3.95Å; Y262-P307 HydrophobicContact CE1-CG 3.72Å; P307-S309 VanDerWaalsContact C-N 3.32Å; P307-S309 PolarHBondContact O-N 3.09Å; P307-R310 PolarHBondContact O-N 3.44Å; P307-L311 VanDerWaalsContact O-CG 3.32Å; P307-L311 WeakPolarHBondContact O-CG 3.47Å; P307-L311 PolarHBondContact O-N 3.11Å |
| 308 | R | 92.1 | Very high | 94.4 | Very high | 24 Ų | 24 | 30.6 Ų | 30.6 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.9 | -46.9 | 175.8 | -177.6 | -162.6 | 69.2 | 72.1 | 2.9 | 110.8 | F61 D305 I306 R310 | F61-R308 HydrophobicContact CE2-CG 3.67Å; F61-R308 HydrophobicContact CZ-CG 3.43Å; F61-R308 VanDerWaalsContact CZ-CG 3.43Å; D305-R308 PolarHBondContact O-N 2.97Å; D305-R308 IonicContact OD1-CZ 3.86Å; D305-R308 IonicContact OD1-NE 2.89Å; D305-R308 PolarHBondContact OD1-NE 2.89Å; D305-R308 IonicContact OD1-NH2 2.92Å; D305-R308 PolarHBondContact OD1-NH2 3.01Å; D305-R308 IonicContact OD2-CZ 2.68Å; D305-R308 IonicContact OD2-NE 2.62Å; D305-R308 IonicContact OD2-NH2 3.78Å; D305-R308 PolarHBondContact OD2-NH2 3.02Å; I306-R308 VanDerWaalsContact C-N 3.34Å; I306-R308 PolarHBondContact O-N 3.27Å; R308-R310 VanDerWaalsContact C-N 3.35Å |
| 309 | S | 93.1 | Very high | 94.8 | Very high | 41 Ų | 41 | 32.2 Ų | 32.2 | 29% | 0.287 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.1 | -37.1 | 178.7 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | D305 I306 P307 V312 K313 | D305-S309 WeakPolarHBondContact O-CB 3.5Å; D305-S309 PolarHBondContact O-N 3.11Å; I306-S309 WeakPolarHBondContact O-CB 3.26Å; I306-S309 PolarHBondContact O-N 2.97Å; I306-S309 VanDerWaalsContact O-N 3.15Å; P307-S309 VanDerWaalsContact C-N 3.32Å; P307-S309 PolarHBondContact O-N 3.09Å; S309-V312 VanDerWaalsContact O-CG2 3.29Å; S309-V312 WeakPolarHBondContact O-CG2 3.18Å; S309-K313 WeakPolarHBondContact O-CG 3.18Å |
| 310 | R | 95.9 | Very high | 95.1 | Very high | 24 Ų | 24 | 32 Ų | 32 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.2 | -42.9 | 178.4 | -176.9 | 63.9 | 173.2 | 176.9 | -0.5 | 112.2 | L178 G181 E182 L185 I306 P307 R308 V312 K313 Y314 | L178-R310 PolarHBondContact O-NH2 3.03Å; G181-R310 VanDerWaalsContact C-NH2 3.34Å; E182-R310 IonicContact OE1-CZ 3.39Å; E182-R310 IonicContact OE1-NE 2.69Å; E182-R310 PolarHBondContact OE1-NE 3.14Å; E182-R310 IonicContact OE1-NH2 3.56Å; E182-R310 PolarHBondContact OE1-NH2 2.98Å; L185-R310 HydrophobicContact CD2-CB 4.49Å; L185-R310 HydrophobicContact CD2-CG 4.03Å; I306-R310 WeakPolarHBondContact O-CB 3.17Å; I306-R310 PolarHBondContact O-N 3.01Å; P307-R310 PolarHBondContact O-N 3.44Å; R308-R310 VanDerWaalsContact C-N 3.35Å; R310-V312 PolarHBondContact O-N 3.09Å; R310-K313 WeakPolarHBondContact O-CB 3.5Å; R310-K313 PolarHBondContact O-N 3.11Å; R310-Y314 HydrophobicContact CG-CE1 4.42Å; R310-Y314 HydrophobicContact CG-CE2 4.06Å; R310-Y314 WeakPolarHBondContact CG-OH 3.4Å |
| 311 | L | 95.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -51.3 | -42.6 | -179 | -79.5 | 169.2 | 0 | 0 | 0 | 112.6 | L256 Y259 P307 K313 Y314 L346 I349 | L256-L311 HydrophobicContact CB-CD2 4.06Å; L256-L311 HydrophobicContact CD1-CD2 4.02Å; L256-L311 HydrophobicContact CD2-CD2 3.9Å; L256-L311 HydrophobicContact CG-CD2 4.23Å; Y259-L311 HydrophobicContact CD2-CD1 4.32Å; Y259-L311 HydrophobicContact CD2-CD2 4.12Å; Y259-L311 HydrophobicContact CD2-CG 4.48Å; Y259-L311 HydrophobicContact CG-CD1 4.06Å; P307-L311 VanDerWaalsContact O-CG 3.32Å; P307-L311 WeakPolarHBondContact O-CG 3.47Å; P307-L311 PolarHBondContact O-N 3.11Å; L311-K313 VanDerWaalsContact C-N 3.27Å; L311-K313 PolarHBondContact O-N 3.27Å; L311-Y314 HydrophobicContact CD2-CD2 4.47Å; L311-Y314 HydrophobicContact CD2-CE2 4.22Å; L311-Y314 WeakPolarHBondContact O-CD2 3.19Å; L311-Y314 PolarHBondContact O-N 3.47Å; L311-L346 HydrophobicContact CB-CD2 3.82Å; L311-I349 HydrophobicContact CD1-CD1 4.08Å |
| 312 | V | 96.4 | Very high | 95.5 | Very high | 46 Ų | 46 | 31 Ų | 31 | 28% | 0.279 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -7.6 | -179.4 | -63.8 | 0 | 0 | 0 | 0 | 115.2 | F61 S309 R310 L346 | F61-V312 HydrophobicContact CD1-CG1 3.56Å; F61-V312 HydrophobicContact CE1-CB 4.09Å; F61-V312 HydrophobicContact CE1-CG1 3.08Å; F61-V312 HydrophobicContact CE1-CG2 4.07Å; F61-V312 HydrophobicContact CZ-CG1 3.65Å; S309-V312 VanDerWaalsContact O-CG2 3.29Å; S309-V312 WeakPolarHBondContact O-CG2 3.18Å; R310-V312 PolarHBondContact O-N 3.09Å; V312-L346 HydrophobicContact CG1-CD1 4.45Å; V312-L346 HydrophobicContact CG1-CD2 4.1Å |
| 313 | K | 97.3 | Very high | 95.7 | Very high | 78 Ų | 78 | 35.9 Ų | 35.9 | 34% | 0.339 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | -27 | 174.7 | -65.9 | 178.9 | -178 | -173.1 | 0 | 112.1 | S309 R310 L311 L316 L317 | S309-K313 WeakPolarHBondContact O-CG 3.18Å; R310-K313 WeakPolarHBondContact O-CB 3.5Å; R310-K313 PolarHBondContact O-N 3.11Å; L311-K313 VanDerWaalsContact C-N 3.27Å; L311-K313 PolarHBondContact O-N 3.27Å; K313-L316 WeakPolarHBondContact O-CA 3.28Å; K313-L316 WeakPolarHBondContact O-CB 3.43Å; K313-L316 PolarHBondContact O-N 3.01Å; K313-L317 HydrophobicContact CB-CD1 4.25Å; K313-L317 WeakPolarHBondContact O-CG 3.24Å; K313-L317 PolarHBondContact O-N 2.99Å |
| 314 | Y | 98.4 | Very high | 96 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -54.9 | -45.3 | -178.3 | -66.3 | -57.5 | 0 | 0 | 0 | 113.9 | L178 E182 H225 W252 L256 R310 L311 L316 L317 L318 I342 | L178-Y314 HydrophobicContact CD1-CD1 3.93Å; L178-Y314 HydrophobicContact CD1-CE1 3.94Å; E182-Y314 VanDerWaalsContact OE1-CE1 3.26Å; E182-Y314 WeakPolarHBondContact OE1-CE1 3.36Å; E182-Y314 PolarHBondContact OE1-OH 3.1Å; E182-Y314 PolarHBondContact OE2-OH 3.04Å; H225-Y314 PolarHBondContact CE1-OH 3.31Å; W252-Y314 HydrophobicContact CH2-CD1 4.34Å; W252-Y314 AromaticContact CH2-CE1 3.65Å; W252-Y314 HydrophobicContact CH2-CE1 3.65Å; W252-Y314 AromaticContact CH2-CE2 3.97Å; W252-Y314 HydrophobicContact CH2-CE2 3.97Å; W252-Y314 AromaticContact CH2-CZ 3.47Å; W252-Y314 VanDerWaalsContact CH2-CZ 3.47Å; W252-Y314 HydrophobicContact CZ3-CD1 4.31Å; W252-Y314 HydrophobicContact CZ3-CE1 4.04Å; L256-Y314 HydrophobicContact CD1-CD2 3.84Å; L256-Y314 HydrophobicContact CD1-CE2 3.85Å; L256-Y314 HydrophobicContact CD2-CE2 4.13Å; R310-Y314 HydrophobicContact CG-CE1 4.42Å; R310-Y314 HydrophobicContact CG-CE2 4.06Å; R310-Y314 WeakPolarHBondContact CG-OH 3.4Å; L311-Y314 HydrophobicContact CD2-CD2 4.47Å; L311-Y314 HydrophobicContact CD2-CE2 4.22Å; L311-Y314 WeakPolarHBondContact O-CD2 3.19Å; L311-Y314 PolarHBondContact O-N 3.47Å; Y314-L316 PolarHBondContact O-N 3.36Å; Y314-L317 PolarHBondContact O-N 3.36Å; Y314-L318 WeakPolarHBondContact O-CB 3.12Å; Y314-L318 VanDerWaalsContact O-CG 3.27Å; Y314-L318 WeakPolarHBondContact O-CG 3.4Å; Y314-L318 PolarHBondContact O-N 3.49Å; Y314-I342 HydrophobicContact CD2-CD1 4.14Å |
| 315 | P | 98.4 | Very high | 96.3 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 8% | 0.078 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.7 | -31.9 | 175.7 | -20.8 | 31.1 | 0 | 0 | 0 | 113.3 | K319 I342 L346 | P315-K319 WeakPolarHBondContact O-CB 3.44Å; P315-K319 WeakPolarHBondContact O-CD 3.33Å; P315-K319 WeakPolarHBondContact O-CG 3.4Å; P315-K319 PolarHBondContact O-N 3.27Å; P315-I342 HydrophobicContact CB-CG2 4.3Å; P315-I342 HydrophobicContact CG-CG1 3.96Å; P315-I342 HydrophobicContact CG-CG2 3.91Å; P315-L346 HydrophobicContact CG-CD1 3.52Å |
| 316 | L | 98.1 | Very high | 96.5 | Very high | 102 Ų | 102 | 36.5 Ų | 36.5 | 53% | 0.534 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -74.6 | -44.9 | 179.6 | -54.4 | 178.8 | 0 | 0 | 0 | 110.9 | K313 Y314 K319 E320 | K313-L316 WeakPolarHBondContact O-CA 3.28Å; K313-L316 WeakPolarHBondContact O-CB 3.43Å; K313-L316 PolarHBondContact O-N 3.01Å; Y314-L316 PolarHBondContact O-N 3.36Å; L316-K319 PolarHBondContact O-N 3.34Å; L316-E320 PolarHBondContact O-N 3.48Å |
| 317 | L | 98.3 | Very high | 96.6 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 5% | 0.047 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.6 | -47.4 | 177.5 | -67 | 167.8 | 0 | 0 | 0 | 111.1 | E177 L178 K313 Y314 K319 E320 I321 | E177-L317 HydrophobicContact CG-CD2 4.01Å; L178-L317 HydrophobicContact CD1-CD1 3.88Å; K313-L317 HydrophobicContact CB-CD1 4.25Å; K313-L317 WeakPolarHBondContact O-CG 3.24Å; K313-L317 PolarHBondContact O-N 2.99Å; Y314-L317 PolarHBondContact O-N 3.36Å; L317-K319 VanDerWaalsContact C-N 3.33Å; L317-K319 PolarHBondContact O-N 3.27Å; L317-E320 PolarHBondContact O-N 2.85Å; L317-E320 VanDerWaalsContact O-N 3.17Å; L317-I321 WeakPolarHBondContact O-CG1 3.22Å; L317-I321 PolarHBondContact O-N 3.01Å |
| 318 | L | 98.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 47.2 Ų | 47.2 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -37.7 | 178.5 | -66.4 | 177.1 | 0 | 0 | 0 | 112.3 | V249 L253 Y314 E320 I321 L322 L335 A338 I339 I342 | V249-L318 HydrophobicContact CB-CD2 4.34Å; V249-L318 HydrophobicContact CG1-CD2 4.17Å; V249-L318 HydrophobicContact CG2-CD2 4.05Å; L253-L318 HydrophobicContact CD1-CD1 4.38Å; Y314-L318 WeakPolarHBondContact O-CB 3.12Å; Y314-L318 VanDerWaalsContact O-CG 3.27Å; Y314-L318 WeakPolarHBondContact O-CG 3.4Å; Y314-L318 PolarHBondContact O-N 3.49Å; L318-E320 VanDerWaalsContact C-N 3.34Å; L318-I321 PolarHBondContact O-N 3.14Å; L318-L322 WeakPolarHBondContact O-CB 3.23Å; L318-L322 PolarHBondContact O-N 2.94Å; L318-L335 HydrophobicContact CD2-CD2 4.04Å; L318-A338 HydrophobicContact CD1-CB 4.04Å; L318-I339 HydrophobicContact CB-CD1 4.32Å; L318-I339 HydrophobicContact CB-CG1 3.69Å; L318-I339 HydrophobicContact CD1-CG1 4.37Å; L318-I342 HydrophobicContact CD1-CG2 4.09Å |
| 319 | K | 98.5 | Very high | 97.1 | Very high | 97 Ų | 97 | 47.4 Ų | 47.4 | 42% | 0.422 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.1 | -38.3 | 173.7 | -78.8 | 173.1 | -175.3 | -179.5 | 0 | 112.4 | P315 L316 L317 L322 R323 I339 | P315-K319 WeakPolarHBondContact O-CB 3.44Å; P315-K319 WeakPolarHBondContact O-CD 3.33Å; P315-K319 WeakPolarHBondContact O-CG 3.4Å; P315-K319 PolarHBondContact O-N 3.27Å; L316-K319 PolarHBondContact O-N 3.34Å; L317-K319 VanDerWaalsContact C-N 3.33Å; L317-K319 PolarHBondContact O-N 3.27Å; K319-L322 PolarHBondContact O-N 3.04Å; K319-R323 WeakPolarHBondContact O-CB 3.21Å; K319-R323 PolarHBondContact O-N 3.35Å; K319-I339 HydrophobicContact CG-CD1 3.72Å; K319-I339 HydrophobicContact CG-CG1 4.34Å |
| 320 | E | 98.2 | Very high | 97.2 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 24% | 0.238 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.2 | -40 | 177.8 | -175.1 | 59.5 | -166.4 | 0 | 0 | 111.5 | A174 L316 L317 L318 R323 H324 | A174-E320 HydrophobicContact CB-CB 4.48Å; A174-E320 HydrophobicContact CB-CG 3.94Å; L316-E320 PolarHBondContact O-N 3.48Å; L317-E320 PolarHBondContact O-N 2.85Å; L317-E320 VanDerWaalsContact O-N 3.17Å; L318-E320 VanDerWaalsContact C-N 3.34Å; E320-R323 WeakPolarHBondContact O-CB 3.39Å; E320-R323 PolarHBondContact O-N 3.4Å; E320-R323 IonicContact OE1-CZ 3.02Å; E320-R323 IonicContact OE1-NE 3Å; E320-R323 PolarHBondContact OE1-NE 3.49Å; E320-R323 IonicContact OE1-NH2 3.14Å; E320-R323 PolarHBondContact OE1-NH2 3.13Å; E320-R323 IonicContact OE2-CZ 2.61Å; E320-R323 IonicContact OE2-NE 3.35Å; E320-R323 PolarHBondContact OE2-NE 3.33Å; E320-R323 IonicContact OE2-NH2 2.95Å; E320-H324 PolarHBondContact O-CD2 3.45Å; E320-H324 IonicContact OE1-CD2 2.81Å; E320-H324 IonicContact OE1-CE1 3.58Å; E320-H324 IonicContact OE1-NE2 3.35Å; E320-H324 PolarHBondContact OE1-NE2 3.18Å |
| 321 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.3 | -52.5 | 171.9 | -62 | 165.5 | 0 | 0 | 0 | 109.7 | R171 A174 I175 L178 I245 L317 L318 R323 H324 T325 L335 | R171-I321 HydrophobicContact CG-CG2 4.3Å; A174-I321 HydrophobicContact CB-CG1 3.7Å; I175-I321 HydrophobicContact CD1-CG2 4.36Å; I175-I321 HydrophobicContact CG1-CD1 4.02Å; I175-I321 HydrophobicContact CG1-CG1 4.05Å; I175-I321 HydrophobicContact CG1-CG2 3.97Å; L178-I321 HydrophobicContact CD2-CD1 4.36Å; I245-I321 HydrophobicContact CD1-CD1 4.31Å; I245-I321 HydrophobicContact CG2-CG2 4.11Å; L317-I321 WeakPolarHBondContact O-CG1 3.22Å; L317-I321 PolarHBondContact O-N 3.01Å; L318-I321 PolarHBondContact O-N 3.14Å; I321-R323 VanDerWaalsContact C-N 3.25Å; I321-R323 PolarHBondContact O-N 2.86Å; I321-H324 PolarHBondContact O-N 3.38Å; I321-T325 PolarHBondContact O-N 2.93Å; I321-T325 VanDerWaalsContact O-N 3.11Å; I321-T325 PolarHBondContact O-OG1 3.23Å; I321-L335 HydrophobicContact CB-CD1 4.41Å; I321-L335 HydrophobicContact CG2-CD1 3.74Å; I321-L335 HydrophobicContact CG2-CD2 4.34Å |
| 322 | L | 98.4 | Very high | 97.3 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 20% | 0.199 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.8 | -38.1 | -180 | 177.5 | 59.8 | 0 | 0 | 0 | 112.5 | L318 K319 H324 T325 V332 L335 E336 I339 | L318-L322 WeakPolarHBondContact O-CB 3.23Å; L318-L322 PolarHBondContact O-N 2.94Å; K319-L322 PolarHBondContact O-N 3.04Å; L322-H324 PolarHBondContact O-N 3.47Å; L322-T325 PolarHBondContact O-N 3.08Å; L322-T325 VanDerWaalsContact O-N 3.17Å; L322-V332 HydrophobicContact CD1-CB 4.42Å; L322-V332 HydrophobicContact CD1-CG1 4.23Å; L322-V332 HydrophobicContact CD1-CG2 4.5Å; L322-L335 HydrophobicContact CB-CB 4.2Å; L322-L335 HydrophobicContact CB-CD1 4.07Å; L322-L335 HydrophobicContact CD1-CB 4.13Å; L322-L335 HydrophobicContact CD1-CD1 4.32Å; L322-E336 HydrophobicContact CD2-CG 3.85Å; L322-I339 HydrophobicContact CD2-CD1 3.78Å |
| 323 | R | 97.9 | Very high | 97.4 | Very high | 145 Ų | 145 | 51.4 Ų | 51.4 | 55% | 0.547 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.2 | -33.9 | 177.8 | -173.6 | 176.9 | 77.1 | 97.5 | -14.9 | 112.6 | K319 E320 I321 | K319-R323 WeakPolarHBondContact O-CB 3.21Å; K319-R323 PolarHBondContact O-N 3.35Å; E320-R323 WeakPolarHBondContact O-CB 3.39Å; E320-R323 PolarHBondContact O-N 3.4Å; E320-R323 IonicContact OE1-CZ 3.02Å; E320-R323 IonicContact OE1-NE 3Å; E320-R323 PolarHBondContact OE1-NE 3.49Å; E320-R323 IonicContact OE1-NH2 3.14Å; E320-R323 PolarHBondContact OE1-NH2 3.13Å; E320-R323 IonicContact OE2-CZ 2.61Å; E320-R323 IonicContact OE2-NE 3.35Å; E320-R323 PolarHBondContact OE2-NE 3.33Å; E320-R323 IonicContact OE2-NH2 2.95Å; I321-R323 VanDerWaalsContact C-N 3.25Å; I321-R323 PolarHBondContact O-N 2.86Å |
| 324 | H | 97.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -99.2 | -5.9 | -179.4 | -59.8 | -59.2 | 0 | 0 | 0 | 113.9 | K167 K170 R171 E320 I321 L322 | K167-H324 WeakPolarHBondContact CE-O 3.32Å; K167-H324 HydrophobicContact CG-CB 4.35Å; K167-H324 WeakPolarHBondContact CG-O 3.36Å; K170-H324 HydrophobicContact CB-CB 4.4Å; R171-H324 HydrophobicContact CB-CB 3.72Å; R171-H324 HydrophobicContact CG-CB 4.28Å; E320-H324 PolarHBondContact O-CD2 3.45Å; E320-H324 IonicContact OE1-CD2 2.81Å; E320-H324 IonicContact OE1-CE1 3.58Å; E320-H324 IonicContact OE1-NE2 3.35Å; E320-H324 PolarHBondContact OE1-NE2 3.18Å; I321-H324 PolarHBondContact O-N 3.38Å; L322-H324 PolarHBondContact O-N 3.47Å |
| 325 | T | 97.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 48.9 Ų | 48.9 | 4% | 0.037 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -68 | 136 | 173.7 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | K167 I321 L322 H329 D331 V332 | K167-T325 PolarHBondContact NZ-O 3.04Å; I321-T325 PolarHBondContact O-N 2.93Å; I321-T325 VanDerWaalsContact O-N 3.11Å; I321-T325 PolarHBondContact O-OG1 3.23Å; L322-T325 PolarHBondContact O-N 3.08Å; L322-T325 VanDerWaalsContact O-N 3.17Å; T325-H329 HydrophobicContact CG2-CB 3.69Å; T325-D331 HydrophobicContact CG2-CB 4.05Å; T325-V332 HydrophobicContact CG2-CG2 3.74Å |
| 326 | P | 96.1 | Very high | 97.5 | Very high | 40 Ų | 40 | 53.2 Ų | 53.2 | 26% | 0.26 | 28% | 0.281 | S | S | . | . | trans | -62.5 | 143.3 | 170 | -21.3 | 32.9 | 0 | 0 | 0 | 111.8 | D328 H329 V332 | P326-D328 WeakPolarHBondContact CB-OD1 3.27Å; P326-D328 PolarHBondContact O-N 2.97Å; P326-H329 HydrophobicContact CB-CB 4.13Å; P326-H329 HydrophobicContact CG-CB 4.35Å; P326-H329 WeakPolarHBondContact O-CB 3.22Å; P326-H329 PolarHBondContact O-N 3.49Å; P326-V332 WeakPolarHBondContact O-CG2 3.41Å | ||
| 327 | P | 93.9 | Very high | 97.5 | Very high | 115 Ų | 115 | 55.8 Ų | 55.8 | 75% | 0.747 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -22.2 | -174.6 | 28.1 | -35.6 | 0 | 0 | 0 | 114.1 | ||
| 328 | D | 94.9 | Very high | 97.5 | Very high | 142 Ų | 142 | 55.4 Ų | 55.4 | 76% | 0.759 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -5.2 | 177.6 | 55.2 | -40.1 | 0 | 0 | 0 | 113.3 | P326 | P326-D328 WeakPolarHBondContact CB-OD1 3.27Å; P326-D328 PolarHBondContact O-N 2.97Å |
| 329 | H | 96.8 | Very high | 97.5 | Very high | 29 Ų | 29 | 55.9 Ų | 55.9 | 13% | 0.134 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -80 | 139.4 | -177.9 | -168.7 | -85.3 | 0 | 0 | 0 | 111.8 | D243 T325 P326 D331 V332 | D243-H329 PolarHBondContact O-CE1 2.65Å; D243-H329 PolarHBondContact O-NE2 2.95Å; D243-H329 IonicContact OD1-NE2 3.83Å; T325-H329 HydrophobicContact CG2-CB 3.69Å; P326-H329 HydrophobicContact CB-CB 4.13Å; P326-H329 HydrophobicContact CG-CB 4.35Å; P326-H329 WeakPolarHBondContact O-CB 3.22Å; P326-H329 PolarHBondContact O-N 3.49Å; H329-D331 IonicContact CE1-OD2 3.86Å; H329-D331 PolarHBondContact CE1-OD2 2.83Å; H329-D331 VanDerWaalsContact ND1-CB 3.3Å; H329-D331 WeakPolarHBondContact ND1-CB 3.43Å; H329-D331 PolarHBondContact ND1-N 3.1Å; H329-D331 VanDerWaalsContact ND1-N 3.11Å; H329-D331 IonicContact ND1-OD2 3.43Å; H329-D331 PolarHBondContact O-N 3.42Å; H329-D331 VanDerWaalsContact O-N 3.12Å; H329-V332 WeakPolarHBondContact O-CG2 3.47Å; H329-V332 PolarHBondContact O-N 2.95Å; H329-V332 VanDerWaalsContact O-N 3.08Å |
| 330 | P | 95.1 | Very high | 97.5 | Very high | 67 Ų | 67 | 54.6 Ų | 54.6 | 44% | 0.435 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -27 | -177.9 | 23.3 | -35.2 | 0 | 0 | 0 | 114.1 | Q244 V332 | Q244-P330 HydrophobicContact CG-CG 3.92Å; P330-V332 PolarHBondContact O-N 3.33Å |
| 331 | D | 97.5 | Very high | 97.5 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.011 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.1 | -17.9 | 176.5 | -80.7 | -18.1 | 0 | 0 | 0 | 114.4 | R171 Q244 I245 G246 T325 H329 S334 L335 | R171-D331 IonicContact NH1-OD2 3.85Å; R171-D331 PolarHBondContact NH1-OD2 3.34Å; Q244-D331 WeakPolarHBondContact CA-OD2 3.49Å; I245-D331 WeakPolarHBondContact CG2-OD2 3.2Å; I245-D331 PolarHBondContact N-OD1 2.91Å; I245-D331 PolarHBondContact N-OD2 3Å; G246-D331 WeakPolarHBondContact CA-OD1 3.44Å; G246-D331 PolarHBondContact N-OD1 3.49Å; T325-D331 HydrophobicContact CG2-CB 4.05Å; H329-D331 IonicContact CE1-OD2 3.86Å; H329-D331 PolarHBondContact CE1-OD2 2.83Å; H329-D331 VanDerWaalsContact ND1-CB 3.3Å; H329-D331 WeakPolarHBondContact ND1-CB 3.43Å; H329-D331 PolarHBondContact ND1-N 3.1Å; H329-D331 VanDerWaalsContact ND1-N 3.11Å; H329-D331 IonicContact ND1-OD2 3.43Å; H329-D331 PolarHBondContact O-N 3.42Å; H329-D331 VanDerWaalsContact O-N 3.12Å; D331-S334 PolarHBondContact O-N 3.48Å; D331-L335 HydrophobicContact CB-CD1 3.87Å; D331-L335 HydrophobicContact CB-CG 4.16Å; D331-L335 WeakPolarHBondContact O-CB 3.12Å; D331-L335 WeakPolarHBondContact O-CD1 3.3Å; D331-L335 WeakPolarHBondContact O-CG 3.33Å; D331-L335 PolarHBondContact O-N 3.01Å |
| 332 | V | 98.1 | Very high | 97.5 | Very high | 28 Ų | 28 | 54 Ų | 54 | 17% | 0.17 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.1 | -57.6 | -179.8 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | L322 T325 P326 H329 P330 S334 L335 E336 | L322-V332 HydrophobicContact CD1-CB 4.42Å; L322-V332 HydrophobicContact CD1-CG1 4.23Å; L322-V332 HydrophobicContact CD1-CG2 4.5Å; T325-V332 HydrophobicContact CG2-CG2 3.74Å; P326-V332 WeakPolarHBondContact O-CG2 3.41Å; H329-V332 WeakPolarHBondContact O-CG2 3.47Å; H329-V332 PolarHBondContact O-N 2.95Å; H329-V332 VanDerWaalsContact O-N 3.08Å; P330-V332 PolarHBondContact O-N 3.33Å; V332-S334 VanDerWaalsContact C-N 3.32Å; V332-S334 PolarHBondContact O-N 3.37Å; V332-L335 PolarHBondContact O-N 3.39Å; V332-E336 WeakPolarHBondContact O-CG 3.44Å; V332-E336 PolarHBondContact O-N 3.29Å |
| 333 | T | 97.8 | Very high | 97.5 | Very high | 102 Ų | 102 | 56.3 Ų | 56.3 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.3 | -40.1 | 179.9 | -49.3 | 0 | 0 | 0 | 0 | 111.6 | R337 | T333-R337 WeakPolarHBondContact O-CB 3.49Å; T333-R337 PolarHBondContact O-N 3.15Å; T333-R337 VanDerWaalsContact O-N 3.08Å |
| 334 | S | 98.1 | Very high | 97.5 | Very high | 28 Ų | 28 | 54.3 Ų | 54.3 | 20% | 0.196 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.7 | -39.7 | -178.8 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | I250 D331 V332 R337 A338 | I250-S334 WeakPolarHBondContact CD1-O 3.42Å; D331-S334 PolarHBondContact O-N 3.48Å; V332-S334 VanDerWaalsContact C-N 3.32Å; V332-S334 PolarHBondContact O-N 3.37Å; S334-R337 PolarHBondContact O-N 2.88Å; S334-A338 WeakPolarHBondContact O-CB 3.34Å; S334-A338 PolarHBondContact O-N 2.88Å |
| 335 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -71.5 | -38.7 | 177.5 | -71.9 | 168.9 | 0 | 0 | 0 | 112 | I245 V249 L318 I321 L322 D331 V332 R337 A338 I339 | I245-L335 HydrophobicContact CG2-CD2 4.27Å; V249-L335 HydrophobicContact CG2-CD2 4.47Å; L318-L335 HydrophobicContact CD2-CD2 4.04Å; I321-L335 HydrophobicContact CB-CD1 4.41Å; I321-L335 HydrophobicContact CG2-CD1 3.74Å; I321-L335 HydrophobicContact CG2-CD2 4.34Å; L322-L335 HydrophobicContact CB-CB 4.2Å; L322-L335 HydrophobicContact CB-CD1 4.07Å; L322-L335 HydrophobicContact CD1-CB 4.13Å; L322-L335 HydrophobicContact CD1-CD1 4.32Å; D331-L335 HydrophobicContact CB-CD1 3.87Å; D331-L335 HydrophobicContact CB-CG 4.16Å; D331-L335 WeakPolarHBondContact O-CB 3.12Å; D331-L335 WeakPolarHBondContact O-CD1 3.3Å; D331-L335 WeakPolarHBondContact O-CG 3.33Å; D331-L335 PolarHBondContact O-N 3.01Å; V332-L335 PolarHBondContact O-N 3.39Å; L335-R337 VanDerWaalsContact C-N 3.31Å; L335-R337 PolarHBondContact O-N 3.42Å; L335-A338 PolarHBondContact O-N 3.02Å; L335-I339 WeakPolarHBondContact O-CB 3.45Å; L335-I339 WeakPolarHBondContact O-CD1 3.4Å; L335-I339 WeakPolarHBondContact O-CG1 3.26Å; L335-I339 PolarHBondContact O-N 2.94Å |
| 336 | E | 98.4 | Very high | 97.5 | Very high | 104 Ų | 104 | 55.7 Ų | 55.7 | 49% | 0.486 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.4 | -44 | 172.6 | -74.1 | 178.3 | 163.8 | 0 | 0 | 111.5 | L322 V332 I339 T340 | L322-E336 HydrophobicContact CD2-CG 3.85Å; V332-E336 WeakPolarHBondContact O-CG 3.44Å; V332-E336 PolarHBondContact O-N 3.29Å; E336-I339 PolarHBondContact O-N 3.45Å; E336-T340 PolarHBondContact O-N 2.97Å; E336-T340 VanDerWaalsContact O-N 3.11Å; E336-T340 PolarHBondContact O-OG1 3.09Å |
| 337 | R | 98.5 | Very high | 97.5 | Very high | 156 Ų | 156 | 56.7 Ų | 56.7 | 59% | 0.589 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.4 | -45.7 | 173.6 | -176.8 | 176.3 | 178.4 | -172.2 | -1.4 | 111.7 | I250 T333 S334 L335 I339 T340 I341 | I250-R337 HydrophobicContact CD1-CB 4.3Å; I250-R337 HydrophobicContact CD1-CG 4.32Å; T333-R337 WeakPolarHBondContact O-CB 3.49Å; T333-R337 PolarHBondContact O-N 3.15Å; T333-R337 VanDerWaalsContact O-N 3.08Å; S334-R337 PolarHBondContact O-N 2.88Å; L335-R337 VanDerWaalsContact C-N 3.31Å; L335-R337 PolarHBondContact O-N 3.42Å; R337-I339 VanDerWaalsContact C-N 3.32Å; R337-I339 PolarHBondContact O-N 3.34Å; R337-T340 WeakPolarHBondContact O-CB 3.42Å; R337-T340 PolarHBondContact O-N 3.28Å; R337-T340 VanDerWaalsContact O-N 3.16Å; R337-I341 HydrophobicContact CG-CD1 4.02Å; R337-I341 WeakPolarHBondContact O-CG1 3.29Å; R337-I341 PolarHBondContact O-N 3.21Å |
| 338 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V249 I250 L253 L318 S334 L335 T340 I341 I342 | V249-A338 HydrophobicContact CG2-CB 3.69Å; I250-A338 HydrophobicContact CG1-CB 4.04Å; L253-A338 HydrophobicContact CD1-CB 3.86Å; L253-A338 VanDerWaalsContact CD1-O 3.23Å; L253-A338 WeakPolarHBondContact CD1-O 3.4Å; L318-A338 HydrophobicContact CD1-CB 4.04Å; S334-A338 WeakPolarHBondContact O-CB 3.34Å; S334-A338 PolarHBondContact O-N 2.88Å; L335-A338 PolarHBondContact O-N 3.02Å; A338-T340 VanDerWaalsContact C-N 3.31Å; A338-T340 PolarHBondContact O-N 3.19Å; A338-I341 PolarHBondContact O-N 3.06Å; A338-I342 WeakPolarHBondContact O-CG2 3.47Å; A338-I342 PolarHBondContact O-N 3.06Å |
| 339 | I | 98.7 | Very high | 97.6 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 7% | 0.072 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.3 | -42.7 | 175.7 | -70.8 | 161.3 | 0 | 0 | 0 | 110.8 | L318 K319 L322 L335 E336 R337 I342 Q343 | L318-I339 HydrophobicContact CB-CD1 4.32Å; L318-I339 HydrophobicContact CB-CG1 3.69Å; L318-I339 HydrophobicContact CD1-CG1 4.37Å; K319-I339 HydrophobicContact CG-CD1 3.72Å; K319-I339 HydrophobicContact CG-CG1 4.34Å; L322-I339 HydrophobicContact CD2-CD1 3.78Å; L335-I339 WeakPolarHBondContact O-CB 3.45Å; L335-I339 WeakPolarHBondContact O-CD1 3.4Å; L335-I339 WeakPolarHBondContact O-CG1 3.26Å; L335-I339 PolarHBondContact O-N 2.94Å; E336-I339 PolarHBondContact O-N 3.45Å; R337-I339 VanDerWaalsContact C-N 3.32Å; R337-I339 PolarHBondContact O-N 3.34Å; I339-I342 WeakPolarHBondContact O-CG2 3.36Å; I339-Q343 WeakPolarHBondContact O-CB 3.39Å; I339-Q343 WeakPolarHBondContact O-CG 3.09Å; I339-Q343 PolarHBondContact O-N 3.46Å; I339-Q343 VanDerWaalsContact O-N 3.07Å |
| 340 | T | 98.4 | Very high | 97.5 | Very high | 71 Ų | 71 | 48.1 Ų | 48.1 | 44% | 0.436 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.1 | -48.5 | 176.9 | -53.6 | 0 | 0 | 0 | 0 | 110.8 | E336 R337 A338 I342 Q343 D344 | E336-T340 PolarHBondContact O-N 2.97Å; E336-T340 VanDerWaalsContact O-N 3.11Å; E336-T340 PolarHBondContact O-OG1 3.09Å; R337-T340 WeakPolarHBondContact O-CB 3.42Å; R337-T340 PolarHBondContact O-N 3.28Å; R337-T340 VanDerWaalsContact O-N 3.16Å; A338-T340 VanDerWaalsContact C-N 3.31Å; A338-T340 PolarHBondContact O-N 3.19Å; T340-I342 PolarHBondContact O-N 3.36Å; T340-Q343 PolarHBondContact O-N 3.05Å; T340-Q343 VanDerWaalsContact O-N 3.16Å; T340-D344 PolarHBondContact O-N 3.23Å |
| 341 | I | 98.4 | Very high | 97.4 | Very high | 38 Ų | 38 | 48.2 Ų | 48.2 | 20% | 0.195 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.1 | -48.7 | 179.1 | -67.2 | 166.3 | 0 | 0 | 0 | 111.3 | I250 L253 R337 A338 Q343 D344 I345 | I250-I341 HydrophobicContact CG1-CD1 4.37Å; I250-I341 HydrophobicContact CG2-CD1 4.15Å; L253-I341 HydrophobicContact CB-CG2 3.85Å; L253-I341 HydrophobicContact CD1-CB 4.2Å; L253-I341 HydrophobicContact CD1-CG2 4.14Å; R337-I341 HydrophobicContact CG-CD1 4.02Å; R337-I341 WeakPolarHBondContact O-CG1 3.29Å; R337-I341 PolarHBondContact O-N 3.21Å; A338-I341 PolarHBondContact O-N 3.06Å; I341-Q343 VanDerWaalsContact C-N 3.32Å; I341-Q343 PolarHBondContact O-N 3.35Å; I341-D344 PolarHBondContact O-N 2.77Å; I341-I345 HydrophobicContact CG2-CD1 3.86Å; I341-I345 WeakPolarHBondContact O-CG1 3.49Å; I341-I345 PolarHBondContact O-N 2.78Å |
| 342 | I | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.5 | -35 | -179.9 | -176.3 | 60.4 | 0 | 0 | 0 | 112.1 | L253 L256 Y314 P315 L318 A338 I339 T340 D344 I345 L346 | L253-I342 HydrophobicContact CD1-CB 4.26Å; L253-I342 HydrophobicContact CD2-CB 3.81Å; L253-I342 HydrophobicContact CD2-CD1 3.84Å; L253-I342 HydrophobicContact CD2-CG1 4.15Å; L256-I342 HydrophobicContact CD1-CD1 3.67Å; Y314-I342 HydrophobicContact CD2-CD1 4.14Å; P315-I342 HydrophobicContact CB-CG2 4.3Å; P315-I342 HydrophobicContact CG-CG1 3.96Å; P315-I342 HydrophobicContact CG-CG2 3.91Å; L318-I342 HydrophobicContact CD1-CG2 4.09Å; A338-I342 WeakPolarHBondContact O-CG2 3.47Å; A338-I342 PolarHBondContact O-N 3.06Å; I339-I342 WeakPolarHBondContact O-CG2 3.36Å; T340-I342 PolarHBondContact O-N 3.36Å; I342-D344 VanDerWaalsContact C-N 3.35Å; I342-I345 PolarHBondContact O-N 2.85Å; I342-L346 HydrophobicContact CD1-CG 4.19Å; I342-L346 HydrophobicContact CG1-CD1 4.16Å; I342-L346 HydrophobicContact CG1-CG 4.3Å; I342-L346 WeakPolarHBondContact O-CB 3.45Å; I342-L346 VanDerWaalsContact O-CG 3.23Å; I342-L346 WeakPolarHBondContact O-CG 3.02Å; I342-L346 PolarHBondContact O-N 3.01Å |
| 343 | Q | 98.1 | Very high | 97.1 | Very high | 86 Ų | 86 | 49.3 Ų | 49.3 | 40% | 0.402 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 176.3 | -75.8 | 176.3 | -38.8 | 0 | 0 | 111.6 | I339 T340 I341 L346 S347 | I339-Q343 WeakPolarHBondContact O-CB 3.39Å; I339-Q343 WeakPolarHBondContact O-CG 3.09Å; I339-Q343 PolarHBondContact O-N 3.46Å; I339-Q343 VanDerWaalsContact O-N 3.07Å; T340-Q343 PolarHBondContact O-N 3.05Å; T340-Q343 VanDerWaalsContact O-N 3.16Å; I341-Q343 VanDerWaalsContact C-N 3.32Å; I341-Q343 PolarHBondContact O-N 3.35Å; Q343-L346 PolarHBondContact O-N 3.23Å; Q343-S347 WeakPolarHBondContact O-CB 3.44Å; Q343-S347 PolarHBondContact O-N 3.27Å |
| 344 | D | 97.9 | Very high | 96.9 | Very high | 103 Ų | 103 | 45.6 Ų | 45.6 | 55% | 0.551 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -64.2 | -45.4 | 176.2 | -68.8 | -20.1 | 0 | 0 | 0 | 111.4 | T340 I341 I342 L346 S347 D348 | T340-D344 PolarHBondContact O-N 3.23Å; I341-D344 PolarHBondContact O-N 2.77Å; I342-D344 VanDerWaalsContact C-N 3.35Å; D344-L346 PolarHBondContact O-N 2.87Å; D344-S347 WeakPolarHBondContact O-CB 3.4Å; D344-S347 PolarHBondContact O-N 3.42Å; D344-D348 PolarHBondContact O-N 2.86Å |
| 345 | I | 97.4 | Very high | 96.7 | Very high | 11 Ų | 11 | 48.1 Ų | 48.1 | 6% | 0.056 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.8 | -47 | 175.3 | -67.9 | 168.9 | 0 | 0 | 0 | 110.7 | L253 L256 I341 I342 S347 D348 I349 | L253-I345 HydrophobicContact CB-CD1 4.4Å; L253-I345 VanDerWaalsContact O-CD1 3.22Å; L253-I345 WeakPolarHBondContact O-CD1 3.29Å; L256-I345 HydrophobicContact CB-CG2 4.33Å; I341-I345 HydrophobicContact CG2-CD1 3.86Å; I341-I345 WeakPolarHBondContact O-CG1 3.49Å; I341-I345 PolarHBondContact O-N 2.78Å; I342-I345 PolarHBondContact O-N 2.85Å; I345-S347 VanDerWaalsContact C-N 3.31Å; I345-S347 PolarHBondContact O-N 3.13Å; I345-D348 PolarHBondContact O-N 3.22Å; I345-I349 HydrophobicContact CG2-CD1 3.82Å; I345-I349 HydrophobicContact CG2-CG1 4.41Å; I345-I349 VanDerWaalsContact O-CG1 3.29Å; I345-I349 WeakPolarHBondContact O-CG1 3.32Å; I345-I349 PolarHBondContact O-N 3.37Å |
| 346 | L | 97.1 | Very high | 96.6 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.4 | -38.1 | 178.5 | -72.9 | 176.5 | 0 | 0 | 0 | 112.3 | L311 V312 P315 I342 Q343 D344 N350 | L311-L346 HydrophobicContact CB-CD2 3.82Å; V312-L346 HydrophobicContact CG1-CD1 4.45Å; V312-L346 HydrophobicContact CG1-CD2 4.1Å; P315-L346 HydrophobicContact CG-CD1 3.52Å; I342-L346 HydrophobicContact CD1-CG 4.19Å; I342-L346 HydrophobicContact CG1-CD1 4.16Å; I342-L346 HydrophobicContact CG1-CG 4.3Å; I342-L346 WeakPolarHBondContact O-CB 3.45Å; I342-L346 VanDerWaalsContact O-CG 3.23Å; I342-L346 WeakPolarHBondContact O-CG 3.02Å; I342-L346 PolarHBondContact O-N 3.01Å; Q343-L346 PolarHBondContact O-N 3.23Å; D344-L346 PolarHBondContact O-N 2.87Å; L346-N350 WeakPolarHBondContact O-CB 3.36Å; L346-N350 PolarHBondContact O-N 3.29Å |
| 347 | S | 96.6 | Very high | 96.4 | Very high | 60 Ų | 60 | 46.9 Ų | 46.9 | 42% | 0.42 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 175.7 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | Q343 D344 I345 N350 V351 | Q343-S347 WeakPolarHBondContact O-CB 3.44Å; Q343-S347 PolarHBondContact O-N 3.27Å; D344-S347 WeakPolarHBondContact O-CB 3.4Å; D344-S347 PolarHBondContact O-N 3.42Å; I345-S347 VanDerWaalsContact C-N 3.31Å; I345-S347 PolarHBondContact O-N 3.13Å; S347-N350 PolarHBondContact O-N 3.34Å; S347-V351 WeakPolarHBondContact O-CG2 3.42Å; S347-V351 PolarHBondContact O-N 3.32Å |
| 348 | D | 96.3 | Very high | 96.2 | Very high | 58 Ų | 58 | 39.5 Ų | 39.5 | 31% | 0.31 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.5 | -44.2 | 177.8 | -178.8 | 44.2 | 0 | 0 | 0 | 112.4 | K260 D344 I345 N350 V351 T352 | K260-D348 VanDerWaalsContact CE-OD2 3.31Å; K260-D348 WeakPolarHBondContact CE-OD2 3.49Å; K260-D348 IonicContact NZ-OD1 2.65Å; K260-D348 PolarHBondContact NZ-OD1 3.45Å; K260-D348 IonicContact NZ-OD2 3.2Å; K260-D348 PolarHBondContact NZ-OD2 3.44Å; D344-D348 PolarHBondContact O-N 2.86Å; I345-D348 PolarHBondContact O-N 3.22Å; D348-N350 VanDerWaalsContact C-N 3.32Å; D348-N350 PolarHBondContact O-N 3.01Å; D348-V351 PolarHBondContact O-N 3.38Å; D348-T352 WeakPolarHBondContact O-CB 3.34Å; D348-T352 PolarHBondContact O-N 3.13Å; D348-T352 PolarHBondContact O-OG1 3.15Å |
| 349 | I | 95.3 | Very high | 96 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.036 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 173.8 | -68.6 | 173.2 | 0 | 0 | 0 | 110.6 | K260 C263 L311 I345 T352 K353 | K260-I349 HydrophobicContact CB-CG1 4.36Å; C263-I349 HydrophobicContact CB-CG2 3.63Å; L311-I349 HydrophobicContact CD1-CD1 4.08Å; I345-I349 HydrophobicContact CG2-CD1 3.82Å; I345-I349 HydrophobicContact CG2-CG1 4.41Å; I345-I349 VanDerWaalsContact O-CG1 3.29Å; I345-I349 WeakPolarHBondContact O-CG1 3.32Å; I345-I349 PolarHBondContact O-N 3.37Å; I349-T352 PolarHBondContact O-N 2.92Å; I349-K353 VanDerWaalsContact O-CB 3.27Å; I349-K353 WeakPolarHBondContact O-CB 3.44Å; I349-K353 PolarHBondContact O-N 3.41Å |
| 350 | N | 93.6 | Very high | 95.8 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 22% | 0.219 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -43.9 | 179.9 | 176.8 | 79 | 0 | 0 | 0 | 112.4 | F61 L346 S347 D348 K353 G354 | F61-N350 HydrophobicContact CB-CB 4.42Å; F61-N350 WeakPolarHBondContact CB-OD1 3.49Å; F61-N350 PolarHBondContact N-OD1 3.36Å; L346-N350 WeakPolarHBondContact O-CB 3.36Å; L346-N350 PolarHBondContact O-N 3.29Å; S347-N350 PolarHBondContact O-N 3.34Å; D348-N350 VanDerWaalsContact C-N 3.32Å; D348-N350 PolarHBondContact O-N 3.01Å; N350-K353 PolarHBondContact O-N 2.87Å; N350-G354 PolarHBondContact O-N 3.12Å |
| 351 | V | 94.3 | Very high | 95.6 | Very high | 69 Ų | 69 | 43.4 Ų | 43.4 | 42% | 0.418 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.3 | -50.5 | 175.6 | 170.4 | 0 | 0 | 0 | 0 | 109.9 | S347 D348 K353 G354 E355 | S347-V351 WeakPolarHBondContact O-CG2 3.42Å; S347-V351 PolarHBondContact O-N 3.32Å; D348-V351 PolarHBondContact O-N 3.38Å; V351-K353 VanDerWaalsContact C-N 3.33Å; V351-K353 PolarHBondContact O-N 3.43Å; V351-G354 WeakPolarHBondContact O-CA 3.42Å; V351-G354 PolarHBondContact O-N 3.5Å; V351-E355 HydrophobicContact CG1-CG 4.41Å; V351-E355 WeakPolarHBondContact O-CG 3.41Å; V351-E355 PolarHBondContact O-N 3.42Å |
| 352 | T | 94.8 | Very high | 95.5 | Very high | 19 Ų | 19 | 42.5 Ų | 42.5 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.3 | -37.7 | -177.8 | -56.1 | 0 | 0 | 0 | 0 | 112.5 | K260 D348 I349 E355 S356 | K260-T352 HydrophobicContact CD-CG2 4.42Å; K260-T352 WeakPolarHBondContact CE-OG1 3.47Å; K260-T352 HydrophobicContact CG-CG2 3.95Å; K260-T352 PolarHBondContact NZ-OG1 3.22Å; D348-T352 WeakPolarHBondContact O-CB 3.34Å; D348-T352 PolarHBondContact O-N 3.13Å; D348-T352 PolarHBondContact O-OG1 3.15Å; I349-T352 PolarHBondContact O-N 2.92Å; T352-E355 PolarHBondContact O-N 3.03Å; T352-S356 WeakPolarHBondContact O-CB 3.39Å; T352-S356 PolarHBondContact O-N 3.2Å; T352-S356 PolarHBondContact O-OG 3.07Å |
| 353 | K | 93.2 | Very high | 95.2 | Very high | 35 Ų | 35 | 48 Ų | 48 | 15% | 0.152 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 172.3 | -178.3 | -171.7 | 175.1 | -164.2 | 0 | 110.9 | I349 N350 V351 S356 E357 | I349-K353 VanDerWaalsContact O-CB 3.27Å; I349-K353 WeakPolarHBondContact O-CB 3.44Å; I349-K353 PolarHBondContact O-N 3.41Å; N350-K353 PolarHBondContact O-N 2.87Å; V351-K353 VanDerWaalsContact C-N 3.33Å; V351-K353 PolarHBondContact O-N 3.43Å; K353-S356 PolarHBondContact O-N 3.08Å; K353-E357 WeakPolarHBondContact O-CB 3.39Å; K353-E357 PolarHBondContact O-N 3.43Å |
| 354 | G | 94.2 | Very high | 95 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 25% | 0.247 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.4 | -40.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N350 V351 E357 C358 | N350-G354 PolarHBondContact O-N 3.12Å; V351-G354 WeakPolarHBondContact O-CA 3.42Å; V351-G354 PolarHBondContact O-N 3.5Å; G354-E357 PolarHBondContact O-N 3.11Å; G354-C358 VanDerWaalsContact O-CB 3.32Å; G354-C358 WeakPolarHBondContact O-CB 3.4Å; G354-C358 PolarHBondContact O-N 3.38Å |
| 355 | E | 95.1 | Very high | 94.8 | Very high | 81 Ų | 81 | 42 Ų | 42 | 38% | 0.379 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 174.2 | -71 | 179.9 | 158.2 | 0 | 0 | 111.6 | V351 T352 C358 Q359 K381 | V351-E355 HydrophobicContact CG1-CG 4.41Å; V351-E355 WeakPolarHBondContact O-CG 3.41Å; V351-E355 PolarHBondContact O-N 3.42Å; T352-E355 PolarHBondContact O-N 3.03Å; E355-C358 WeakPolarHBondContact O-CB 3.3Å; E355-C358 PolarHBondContact O-N 3.49Å; E355-Q359 WeakPolarHBondContact O-CB 3.32Å; E355-Q359 PolarHBondContact O-N 3.24Å; E355-K381 WeakPolarHBondContact CA-O 3.36Å; E355-K381 WeakPolarHBondContact CG-O 3.36Å |
| 356 | S | 95 | Very high | 94.6 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 29% | 0.294 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.1 | -36.8 | 178.6 | -60 | 0 | 0 | 0 | 0 | 112.4 | S264 T352 K353 Y360 | S264-S356 WeakPolarHBondContact CB-OG 3.26Å; T352-S356 WeakPolarHBondContact O-CB 3.39Å; T352-S356 PolarHBondContact O-N 3.2Å; T352-S356 PolarHBondContact O-OG 3.07Å; K353-S356 PolarHBondContact O-N 3.08Å; S356-Y360 WeakPolarHBondContact O-CB 3.25Å; S356-Y360 PolarHBondContact O-N 3.21Å |
| 357 | E | 94.1 | Very high | 94.4 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 17% | 0.168 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.2 | -43.5 | 171.2 | 171.8 | 169.1 | -152.9 | 0 | 0 | 111.5 | L267 K353 G354 Y360 Y361 L383 H386 | L267-E357 HydrophobicContact CD2-CB 4.03Å; L267-E357 HydrophobicContact CD2-CG 3.78Å; K353-E357 WeakPolarHBondContact O-CB 3.39Å; K353-E357 PolarHBondContact O-N 3.43Å; G354-E357 PolarHBondContact O-N 3.11Å; E357-Y360 PolarHBondContact O-N 3.43Å; E357-Y361 HydrophobicContact CG-CD2 4.06Å; E357-Y361 HydrophobicContact CG-CE2 3.92Å; E357-Y361 VanDerWaalsContact O-CD2 3.25Å; E357-Y361 WeakPolarHBondContact O-CD2 3.46Å; E357-Y361 PolarHBondContact O-N 2.96Å; E357-L383 HydrophobicContact CG-CD2 4.19Å; E357-H386 IonicContact OE1-NE2 2.67Å |
| 358 | C | 95.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.007 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.4 | -52.7 | 174.7 | -171.7 | 0 | 0 | 0 | 0 | 110.9 | G354 E355 Y360 Y361 I362 C380 L383 F402 | G354-C358 VanDerWaalsContact O-CB 3.32Å; G354-C358 WeakPolarHBondContact O-CB 3.4Å; G354-C358 PolarHBondContact O-N 3.38Å; E355-C358 WeakPolarHBondContact O-CB 3.3Å; E355-C358 PolarHBondContact O-N 3.49Å; C358-Y360 PolarHBondContact O-N 3.26Å; C358-Y361 PolarHBondContact O-N 3.18Å; C358-I362 WeakPolarHBondContact O-CG1 3.34Å; C358-I362 PolarHBondContact O-N 2.81Å; C358-C380 PolarHBondContact SG-O 3.14Å; C358-L383 HydrophobicContact CB-CB 4.19Å; C358-F402 WeakPolarHBondContact SG-CD1 3.29Å |
| 359 | Q | 94.9 | Very high | 93.8 | Very high | 92 Ų | 92 | 48.2 Ų | 48.2 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 178.9 | -168.5 | 61.6 | 52.8 | 0 | 0 | 112 | E355 Y361 I362 D363 | E355-Q359 WeakPolarHBondContact O-CB 3.32Å; E355-Q359 PolarHBondContact O-N 3.24Å; Q359-Y361 VanDerWaalsContact C-N 3.26Å; Q359-Y361 PolarHBondContact O-N 3.5Å; Q359-I362 PolarHBondContact O-N 3.32Å; Q359-I362 VanDerWaalsContact O-N 3.15Å; Q359-D363 PolarHBondContact NE2-OD1 3.07Å; Q359-D363 VanDerWaalsContact O-CG 3.26Å; Q359-D363 PolarHBondContact O-N 3.31Å |
| 360 | Y | 94.4 | Very high | 93.5 | Very high | 48 Ų | 48 | 56.3 Ų | 56.3 | 19% | 0.188 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -54.8 | -41.9 | 177.9 | 175.2 | -89.9 | 0 | 0 | 0 | 112.5 | L267 A268 A271 S356 E357 C358 K364 | L267-Y360 HydrophobicContact CD2-CD1 3.58Å; L267-Y360 HydrophobicContact CD2-CE1 4.13Å; L267-Y360 HydrophobicContact CD2-CG 3.91Å; L267-Y360 HydrophobicContact CG-CD1 4.13Å; L267-Y360 HydrophobicContact CG-CE1 4.26Å; L267-Y360 HydrophobicContact CG-CG 4.4Å; A268-Y360 HydrophobicContact CB-CD2 4.15Å; A268-Y360 HydrophobicContact CB-CE2 4.01Å; A271-Y360 VanDerWaalsContact CB-OH 3.3Å; A271-Y360 WeakPolarHBondContact CB-OH 3.41Å; S356-Y360 WeakPolarHBondContact O-CB 3.25Å; S356-Y360 PolarHBondContact O-N 3.21Å; E357-Y360 PolarHBondContact O-N 3.43Å; C358-Y360 PolarHBondContact O-N 3.26Å; Y360-K364 HydrophobicContact CD1-CD 4.45Å; Y360-K364 HydrophobicContact CE1-CD 3.82Å; Y360-K364 VanDerWaalsContact CZ-CE 3.44Å; Y360-K364 WeakPolarHBondContact O-CG 3.22Å; Y360-K364 WeakPolarHBondContact OH-CE 3.43Å; Y360-K364 PolarHBondContact OH-NZ 3.31Å; Y360-K364 VanDerWaalsContact OH-NZ 3.15Å |
| 361 | Y | 94.6 | Very high | 93.3 | Very high | 27 Ų | 27 | 61.8 Ų | 61.8 | 11% | 0.106 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -78.2 | -35.5 | 178.3 | -75.1 | -63.5 | 0 | 0 | 0 | 112.8 | L267 E357 C358 Q359 D363 K364 L365 L383 H386 F400 F420 | L267-Y361 HydrophobicContact CD2-CE2 3.96Å; E357-Y361 HydrophobicContact CG-CD2 4.06Å; E357-Y361 HydrophobicContact CG-CE2 3.92Å; E357-Y361 VanDerWaalsContact O-CD2 3.25Å; E357-Y361 WeakPolarHBondContact O-CD2 3.46Å; E357-Y361 PolarHBondContact O-N 2.96Å; C358-Y361 PolarHBondContact O-N 3.18Å; Q359-Y361 VanDerWaalsContact C-N 3.26Å; Q359-Y361 PolarHBondContact O-N 3.5Å; Y361-D363 VanDerWaalsContact C-N 3.33Å; Y361-D363 PolarHBondContact O-N 3.11Å; Y361-K364 PolarHBondContact O-N 3.36Å; Y361-K364 VanDerWaalsContact O-N 3.13Å; Y361-L365 PolarHBondContact O-N 3.16Å; Y361-L383 HydrophobicContact CD2-CD2 3.4Å; Y361-L383 VanDerWaalsContact CD2-CD2 3.4Å; Y361-L383 HydrophobicContact CE2-CD2 3.88Å; Y361-L383 HydrophobicContact CG-CD2 4.28Å; Y361-H386 AromaticContact CE2-CE1 3.98Å; Y361-H386 AromaticContact CE2-NE2 3.76Å; Y361-H386 AromaticContact CZ-CE1 3.73Å; Y361-H386 AromaticContact CZ-NE2 3.97Å; Y361-H386 PolarHBondContact OH-CE1 3.44Å; Y361-H386 VanDerWaalsContact OH-CE1 3.32Å; Y361-F400 HydrophobicContact CD1-CD1 4.47Å; Y361-F400 AromaticContact CD1-CE1 3.38Å; Y361-F400 HydrophobicContact CD1-CE1 3.38Å; Y361-F400 AromaticContact CD1-CZ 3.74Å; Y361-F400 HydrophobicContact CD1-CZ 3.74Å; Y361-F400 HydrophobicContact CD2-CE1 4.17Å; Y361-F400 AromaticContact CE1-CE1 3.94Å; Y361-F400 HydrophobicContact CE1-CE1 3.94Å; Y361-F400 HydrophobicContact CE1-CZ 4.33Å; Y361-F400 HydrophobicContact CG-CD1 4.21Å; Y361-F400 AromaticContact CG-CE1 3.51Å; Y361-F400 HydrophobicContact CG-CE1 3.51Å; Y361-F400 HydrophobicContact CG-CZ 4.24Å; Y361-F420 HydrophobicContact CD1-CD2 4.4Å; Y361-F420 AromaticContact CD1-CE2 3.78Å; Y361-F420 HydrophobicContact CD1-CE2 3.78Å; Y361-F420 HydrophobicContact CD1-CZ 4.39Å; Y361-F420 AromaticContact CE1-CE2 3.93Å; Y361-F420 HydrophobicContact CE1-CE2 3.93Å; Y361-F420 HydrophobicContact CE1-CZ 4.18Å |
| 362 | I | 94.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 59.4 Ų | 59.4 | 10% | 0.097 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58 | -46.8 | 173.2 | -71.4 | 168.5 | 0 | 0 | 0 | 110.5 | C358 Q359 K364 L365 I377 C380 F402 | C358-I362 WeakPolarHBondContact O-CG1 3.34Å; C358-I362 PolarHBondContact O-N 2.81Å; Q359-I362 PolarHBondContact O-N 3.32Å; Q359-I362 VanDerWaalsContact O-N 3.15Å; I362-K364 PolarHBondContact O-N 2.89Å; I362-K364 VanDerWaalsContact O-N 3.08Å; I362-L365 WeakPolarHBondContact O-CB 3.22Å; I362-L365 PolarHBondContact O-N 2.94Å; I362-I377 HydrophobicContact CD1-CG2 4.47Å; I362-I377 HydrophobicContact CG1-CG2 4.3Å; I362-I377 HydrophobicContact CG2-CG2 3.75Å; I362-C380 HydrophobicContact CD1-CB 4.07Å; I362-F402 HydrophobicContact CD1-CE1 4.24Å; I362-F402 HydrophobicContact CG1-CE1 3.83Å; I362-F402 HydrophobicContact CG1-CZ 3.9Å |
| 363 | D | 93.2 | Very high | 92.9 | Very high | 116 Ų | 116 | 64.2 Ų | 64.2 | 62% | 0.62 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -17.4 | 179.4 | -67.2 | -14.4 | 0 | 0 | 0 | 113.2 | Q359 Y361 | Q359-D363 PolarHBondContact NE2-OD1 3.07Å; Q359-D363 VanDerWaalsContact O-CG 3.26Å; Q359-D363 PolarHBondContact O-N 3.31Å; Y361-D363 VanDerWaalsContact C-N 3.33Å; Y361-D363 PolarHBondContact O-N 3.11Å |
| 364 | K | 92.8 | Very high | 92.8 | Very high | 45 Ų | 45 | 64.1 Ų | 64.1 | 20% | 0.196 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -3.6 | 177.5 | -73.3 | -172.3 | 164.6 | -138.2 | 0 | 114 | Y360 Y361 I362 S418 F420 | Y360-K364 HydrophobicContact CD1-CD 4.45Å; Y360-K364 HydrophobicContact CE1-CD 3.82Å; Y360-K364 VanDerWaalsContact CZ-CE 3.44Å; Y360-K364 WeakPolarHBondContact O-CG 3.22Å; Y360-K364 WeakPolarHBondContact OH-CE 3.43Å; Y360-K364 PolarHBondContact OH-NZ 3.31Å; Y360-K364 VanDerWaalsContact OH-NZ 3.15Å; Y361-K364 PolarHBondContact O-N 3.36Å; Y361-K364 VanDerWaalsContact O-N 3.13Å; I362-K364 PolarHBondContact O-N 2.89Å; I362-K364 VanDerWaalsContact O-N 3.08Å; K364-S418 PolarHBondContact NZ-O 3.44Å; K364-S418 VanDerWaalsContact NZ-O 3.11Å; K364-S418 PolarHBondContact NZ-OG 2.94Å; K364-S418 VanDerWaalsContact NZ-OG 3.13Å; K364-F420 HydrophobicContact CB-CD2 3.89Å; K364-F420 HydrophobicContact CB-CE2 4.41Å; K364-F420 HydrophobicContact CD-CE2 4.38Å; K364-F420 PolarHBondContact O-N 3.22Å |
| 365 | L | 94.1 | Very high | 92.6 | Very high | 17 Ų | 17 | 66.5 Ų | 66.5 | 9% | 0.089 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 131.5 | 174.5 | -64 | 178.5 | 0 | 0 | 0 | 110.1 | Y361 I362 F367 F400 V407 T409 F420 V422 | Y361-L365 PolarHBondContact O-N 3.16Å; I362-L365 WeakPolarHBondContact O-CB 3.22Å; I362-L365 PolarHBondContact O-N 2.94Å; L365-F367 HydrophobicContact CB-CE2 3.73Å; L365-F367 HydrophobicContact CB-CZ 3.83Å; L365-F367 HydrophobicContact CD1-CZ 4.06Å; L365-F400 HydrophobicContact CD2-CD2 4.23Å; L365-F400 HydrophobicContact CD2-CE2 4.16Å; L365-V407 HydrophobicContact CD1-CG1 4.4Å; L365-V407 HydrophobicContact CD2-CG1 4.22Å; L365-T409 HydrophobicContact CD2-CG2 3.73Å; L365-F420 WeakPolarHBondContact CA-O 3.45Å; L365-F420 HydrophobicContact CD2-CB 4.04Å; L365-V422 HydrophobicContact CB-CG2 4.28Å; L365-V422 HydrophobicContact CD2-CG2 4.37Å |
| 366 | E | 93.4 | Very high | 92.5 | Very high | 42 Ų | 42 | 63.4 Ų | 63.4 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 117.6 | 175.7 | -173.1 | -169 | 139.4 | 0 | 0 | 109.3 | R414 C419 F420 Q421 V422 | E366-R414 IonicContact OE1-CZ 3.52Å; E366-R414 IonicContact OE1-NE 2.59Å; E366-R414 PolarHBondContact OE1-NE 2.74Å; E366-R414 IonicContact OE1-NH2 3.13Å; E366-R414 PolarHBondContact OE1-NH2 2.87Å; E366-R414 WeakPolarHBondContact OE2-CD 3.24Å; E366-R414 IonicContact OE2-CZ 3.18Å; E366-R414 IonicContact OE2-NE 3.09Å; E366-R414 PolarHBondContact OE2-NE 3.19Å; E366-C419 PolarHBondContact OE2-SG 3.48Å; E366-F420 PolarHBondContact N-O 3.29Å; E366-Q421 CarbonylContact O-C 3.59Å; E366-Q421 WeakPolarHBondContact O-CA 3.44Å; E366-V422 PolarHBondContact O-N 2.78Å |
| 367 | F | 92.9 | Very high | 92.2 | Very high | 62 Ų | 62 | 61.8 Ų | 61.8 | 27% | 0.272 | 30% | 0.295 | S | S | . | . | trans | -96.1 | 128.8 | 179.2 | -55.6 | -93.7 | 0 | 0 | 0 | 109.3 | L365 Q372 W373 I377 V422 | L365-F367 HydrophobicContact CB-CE2 3.73Å; L365-F367 HydrophobicContact CB-CZ 3.83Å; L365-F367 HydrophobicContact CD1-CZ 4.06Å; F367-Q372 HydrophobicContact CD1-CB 4Å; F367-Q372 WeakPolarHBondContact CD1-O 3.15Å; F367-W373 HydrophobicContact CD1-CB 4.33Å; F367-I377 HydrophobicContact CE1-CD1 3.59Å; F367-I377 HydrophobicContact CZ-CD1 3.43Å; F367-I377 VanDerWaalsContact CZ-CD1 3.43Å; F367-V422 HydrophobicContact CD1-CB 4.17Å; F367-V422 HydrophobicContact CD1-CG1 4.42Å; F367-V422 HydrophobicContact CD1-CG2 3.74Å; F367-V422 HydrophobicContact CE1-CB 4.43Å; F367-V422 HydrophobicContact CE1-CG2 3.64Å; F367-V422 HydrophobicContact CG-CG2 4.3Å; F367-V422 HydrophobicContact CZ-CG2 4.08Å | ||
| 368 | L | 90.8 | Very high | 91.8 | Very high | 112 Ų | 112 | 66.6 Ų | 66.6 | 59% | 0.586 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -86.4 | -28.9 | 178.4 | -75.3 | 177.3 | 0 | 0 | 0 | 112.7 | Q421 | L368-Q421 HydrophobicContact CD1-CG 4.07Å; L368-Q421 HydrophobicContact CG-CG 4.04Å |
| 369 | D | 89.8 | Confident | 91.6 | Very high | 77 Ų | 77 | 72.2 Ų | 72.2 | 41% | 0.412 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -131.8 | 138.8 | -179.2 | -174.9 | -23.1 | 0 | 0 | 0 | 108 | K371 Q372 | D369-K371 PolarHBondContact O-N 2.91Å; D369-K371 VanDerWaalsContact O-N 3.15Å; D369-K371 WeakPolarHBondContact OD1-CB 3.21Å; D369-K371 WeakPolarHBondContact OD1-CG 3.48Å; D369-K371 PolarHBondContact OD1-N 2.78Å; D369-Q372 HydrophobicContact CB-CG 4.26Å; D369-Q372 WeakPolarHBondContact O-CB 3.15Å; D369-Q372 PolarHBondContact O-N 2.87Å |
| 370 | E | 88 | Confident | 91.5 | Very high | 178 Ų | 178 | 68.1 Ų | 68.1 | 83% | 0.832 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -55 | -30.6 | 175.1 | -66.5 | -176.3 | 173.2 | 0 | 0 | 111.7 | Q372 W373 | E370-Q372 PolarHBondContact O-N 2.91Å; E370-W373 WeakPolarHBondContact O-CB 3.04Å; E370-W373 PolarHBondContact O-N 3.04Å; E370-W373 VanDerWaalsContact O-N 3.08Å |
| 371 | K | 89.4 | Confident | 91.3 | Very high | 156 Ų | 156 | 72.4 Ų | 72.4 | 68% | 0.678 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -64.9 | -20.3 | 176.6 | -65 | 175.1 | -174.6 | 170.3 | 0 | 113.7 | D369 W373 Q425 | D369-K371 PolarHBondContact O-N 2.91Å; D369-K371 VanDerWaalsContact O-N 3.15Å; D369-K371 WeakPolarHBondContact OD1-CB 3.21Å; D369-K371 WeakPolarHBondContact OD1-CG 3.48Å; D369-K371 PolarHBondContact OD1-N 2.78Å; K371-W373 VanDerWaalsContact C-N 3.29Å; K371-Q425 VanDerWaalsContact O-CD 3.27Å; K371-Q425 PolarHBondContact O-NE2 3.17Å; K371-Q425 PolarHBondContact O-OE1 2.74Å |
| 372 | Q | 91.1 | Very high | 91.3 | Very high | 19 Ų | 19 | 74.1 Ų | 74.1 | 9% | 0.089 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -81.6 | -14 | 177.1 | -62.8 | -177.3 | -69.2 | 0 | 0 | 112.3 | F367 D369 E370 V422 R424 P426 | F367-Q372 HydrophobicContact CD1-CB 4Å; F367-Q372 WeakPolarHBondContact CD1-O 3.15Å; D369-Q372 HydrophobicContact CB-CG 4.26Å; D369-Q372 WeakPolarHBondContact O-CB 3.15Å; D369-Q372 PolarHBondContact O-N 2.87Å; E370-Q372 PolarHBondContact O-N 2.91Å; Q372-V422 HydrophobicContact CB-CG1 4.27Å; Q372-V422 PolarHBondContact NE2-O 2.84Å; Q372-R424 PolarHBondContact NE2-O 2.74Å; Q372-P426 VanDerWaalsContact O-CD 3.24Å; Q372-P426 WeakPolarHBondContact O-CD 3.08Å; Q372-P426 VanDerWaalsContact O-CG 3.28Å; Q372-P426 WeakPolarHBondContact O-CG 3.27Å |
| 373 | W | 90.4 | Very high | 91.4 | Very high | 119 Ų | 119 | 74.5 Ų | 74.5 | 45% | 0.451 | 36% | 0.36 | S | S | . | . | trans | -79.1 | 126 | 176.9 | -179.5 | 89.5 | 0 | 0 | 0 | 109.1 | F367 E370 K371 P375 H378 | F367-W373 HydrophobicContact CD1-CB 4.33Å; E370-W373 WeakPolarHBondContact O-CB 3.04Å; E370-W373 PolarHBondContact O-N 3.04Å; E370-W373 VanDerWaalsContact O-N 3.08Å; K371-W373 VanDerWaalsContact C-N 3.29Å; W373-P375 HydrophobicContact CE3-CG 4.36Å; W373-P375 HydrophobicContact CH2-CB 3.99Å; W373-P375 HydrophobicContact CH2-CG 3.84Å; W373-P375 HydrophobicContact CZ3-CB 4.21Å; W373-P375 HydrophobicContact CZ3-CG 3.55Å; W373-H378 AromaticContact CE2-NE2 3.92Å; W373-H378 AromaticContact CZ2-CD2 3.59Å; W373-H378 AromaticContact CZ2-NE2 3.4Å; W373-H378 WeakPolarHBondContact CZ2-NE2 3.12Å; W373-H378 AromaticContact NE1-NE2 3.82Å | ||
| 374 | D | 90.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 73.4 Ų | 73.4 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | trans | -115.1 | 127.6 | 177 | -169.5 | -50.9 | 0 | 0 | 0 | 108.7 | L376 I377 L405 | D374-L376 PolarHBondContact O-N 3.12Å; D374-L376 VanDerWaalsContact O-N 3.11Å; D374-L376 WeakPolarHBondContact OD1-CB 3.41Å; D374-L376 VanDerWaalsContact OD1-CG 3.28Å; D374-L376 WeakPolarHBondContact OD1-CG 3.5Å; D374-L376 PolarHBondContact OD1-N 3.27Å; D374-I377 HydrophobicContact CB-CG1 4.45Å; D374-I377 VanDerWaalsContact O-CB 3.31Å; D374-I377 WeakPolarHBondContact O-CB 3.3Å; D374-I377 VanDerWaalsContact O-CG1 3.24Å; D374-I377 WeakPolarHBondContact O-CG1 3.41Å; D374-I377 PolarHBondContact O-N 3.39Å; D374-L405 HydrophobicContact CB-CD1 4.21Å; D374-L405 HydrophobicContact CB-CD2 4.36Å | ||
| 375 | P | 90.8 | Very high | 91.6 | Very high | 74 Ų | 74 | 74.5 Ų | 74.5 | 48% | 0.481 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -53.6 | -29.3 | 177.1 | -23.2 | 29.1 | 0 | 0 | 0 | 114.4 | W373 I377 H378 | W373-P375 HydrophobicContact CE3-CG 4.36Å; W373-P375 HydrophobicContact CH2-CB 3.99Å; W373-P375 HydrophobicContact CH2-CG 3.84Å; W373-P375 HydrophobicContact CZ3-CB 4.21Å; W373-P375 HydrophobicContact CZ3-CG 3.55Å; P375-I377 PolarHBondContact O-N 2.67Å; P375-I377 VanDerWaalsContact O-N 3.07Å; P375-H378 PolarHBondContact O-N 3.14Å |
| 376 | L | 92.4 | Very high | 91.8 | Very high | 16 Ų | 16 | 76.1 Ų | 76.1 | 8% | 0.084 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -61.4 | -16.5 | 178.6 | -65.5 | 173.2 | 0 | 0 | 0 | 112.6 | D374 H378 E379 C380 E404 L405 P428 | D374-L376 PolarHBondContact O-N 3.12Å; D374-L376 VanDerWaalsContact O-N 3.11Å; D374-L376 WeakPolarHBondContact OD1-CB 3.41Å; D374-L376 VanDerWaalsContact OD1-CG 3.28Å; D374-L376 WeakPolarHBondContact OD1-CG 3.5Å; D374-L376 PolarHBondContact OD1-N 3.27Å; L376-H378 PolarHBondContact O-N 3Å; L376-E379 WeakPolarHBondContact CD2-OE2 3.14Å; L376-E379 PolarHBondContact O-N 3.47Å; L376-C380 PolarHBondContact O-N 3.23Å; L376-C380 PolarHBondContact O-SG 2.93Å; L376-E404 HydrophobicContact CB-CB 4.37Å; L376-L405 HydrophobicContact CB-CD1 3.62Å; L376-L405 HydrophobicContact CB-CD2 4.34Å; L376-L405 HydrophobicContact CB-CG 3.82Å; L376-L405 HydrophobicContact CD1-CD2 4.33Å; L376-L405 HydrophobicContact CD1-CG 4.46Å; L376-P428 HydrophobicContact CD1-CB 4.01Å; L376-P428 HydrophobicContact CD1-CG 4.15Å |
| 377 | I | 90.2 | Very high | 91.9 | Very high | 7 Ų | 7 | 75.4 Ų | 75.4 | 4% | 0.036 | 38% | 0.377 | C | S | . | . | G | 310 helix | trans | -59.6 | -35.9 | 173.6 | -65.8 | 179.1 | 0 | 0 | 0 | 110.6 | I362 F367 D374 P375 E379 C380 L405 | I362-I377 HydrophobicContact CD1-CG2 4.47Å; I362-I377 HydrophobicContact CG1-CG2 4.3Å; I362-I377 HydrophobicContact CG2-CG2 3.75Å; F367-I377 HydrophobicContact CE1-CD1 3.59Å; F367-I377 HydrophobicContact CZ-CD1 3.43Å; F367-I377 VanDerWaalsContact CZ-CD1 3.43Å; D374-I377 HydrophobicContact CB-CG1 4.45Å; D374-I377 VanDerWaalsContact O-CB 3.31Å; D374-I377 WeakPolarHBondContact O-CB 3.3Å; D374-I377 VanDerWaalsContact O-CG1 3.24Å; D374-I377 WeakPolarHBondContact O-CG1 3.41Å; D374-I377 PolarHBondContact O-N 3.39Å; P375-I377 PolarHBondContact O-N 2.67Å; P375-I377 VanDerWaalsContact O-N 3.07Å; I377-E379 VanDerWaalsContact C-N 3.28Å; I377-E379 PolarHBondContact O-N 3.41Å; I377-C380 WeakPolarHBondContact O-CB 3.43Å; I377-C380 PolarHBondContact O-N 3.1Å; I377-L405 HydrophobicContact CB-CD1 4.19Å; I377-L405 HydrophobicContact CD1-CD1 4.42Å; I377-L405 HydrophobicContact CG1-CD1 3.3Å; I377-L405 VanDerWaalsContact N-CD1 3.32Å |
| 378 | H | 85.9 | Confident | 92 | Very high | 138 Ų | 138 | 77.6 Ų | 77.6 | 64% | 0.639 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -73.5 | -19.6 | 176.5 | -66.8 | -62.9 | 0 | 0 | 0 | 113.4 | W373 P375 L376 | W373-H378 AromaticContact CE2-NE2 3.92Å; W373-H378 AromaticContact CZ2-CD2 3.59Å; W373-H378 AromaticContact CZ2-NE2 3.4Å; W373-H378 WeakPolarHBondContact CZ2-NE2 3.12Å; W373-H378 AromaticContact NE1-NE2 3.82Å; P375-H378 PolarHBondContact O-N 3.14Å; L376-H378 PolarHBondContact O-N 3Å |
| 379 | E | 90.8 | Very high | 92.2 | Very high | 118 Ų | 118 | 77.4 Ų | 77.4 | 55% | 0.551 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -86 | -14.8 | 176.9 | -60.6 | -177.8 | -166.8 | 0 | 0 | 112 | L376 I377 K381 E404 | L376-E379 WeakPolarHBondContact CD2-OE2 3.14Å; L376-E379 PolarHBondContact O-N 3.47Å; I377-E379 VanDerWaalsContact C-N 3.28Å; I377-E379 PolarHBondContact O-N 3.41Å; E379-K381 PolarHBondContact O-N 3.26Å; E379-E404 HydrophobicContact CB-CG 4.43Å |
| 380 | C | 91.9 | Very high | 92.3 | Very high | 7 Ų | 7 | 82.6 Ų | 82.6 | 5% | 0.047 | 40% | 0.401 | C | S | . | . | trans | -71.3 | 100.1 | 179.9 | -69.1 | 0 | 0 | 0 | 0 | 111.5 | C358 I362 L376 I377 F402 | C358-C380 PolarHBondContact SG-O 3.14Å; I362-C380 HydrophobicContact CD1-CB 4.07Å; L376-C380 PolarHBondContact O-N 3.23Å; L376-C380 PolarHBondContact O-SG 2.93Å; I377-C380 WeakPolarHBondContact O-CB 3.43Å; I377-C380 PolarHBondContact O-N 3.1Å; C380-F402 HydrophobicContact CB-CB 3.81Å; C380-F402 HydrophobicContact CB-CD1 4.18Å; C380-F402 HydrophobicContact CB-CG 4.1Å; C380-F402 WeakPolarHBondContact SG-CB 3.36Å | ||
| 381 | K | 90.8 | Very high | 92.4 | Very high | 138 Ų | 138 | 75.5 Ų | 75.5 | 60% | 0.6 | 37% | 0.37 | S | S | * | . | trans | -95.8 | -15.6 | 174.5 | -63.8 | -174 | 179.5 | -175.6 | 0 | 113.8 | E355 E379 | E355-K381 WeakPolarHBondContact CA-O 3.36Å; E355-K381 WeakPolarHBondContact CG-O 3.36Å; E379-K381 PolarHBondContact O-N 3.26Å | ||
| 382 | T | 94.3 | Very high | 92.3 | Very high | 63 Ų | 63 | 75.9 Ų | 75.9 | 39% | 0.387 | 37% | 0.372 | S | S | . | . | trans | -131.4 | 133.5 | -175.8 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | F402 S403 | T382-F402 CarbonylContact O-C 3.58Å; T382-F402 VanDerWaalsContact O-CA 3.29Å; T382-F402 WeakPolarHBondContact O-CA 3.34Å; T382-S403 PolarHBondContact N-OG 2.97Å; T382-S403 PolarHBondContact O-N 2.99Å; T382-S403 PolarHBondContact O-OG 2.83Å; T382-S403 VanDerWaalsContact OG1-CB 3.31Å; T382-S403 WeakPolarHBondContact OG1-CB 3.33Å; T382-S403 PolarHBondContact OG1-OG 3.1Å | ||
| 383 | L | 96.1 | Very high | 92 | Very high | 27 Ų | 27 | 78.5 Ų | 78.5 | 14% | 0.141 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 107.6 | 168.8 | 179.8 | 60.8 | 0 | 0 | 0 | 108.6 | E357 C358 Y361 C385 H386 F400 F402 | E357-L383 HydrophobicContact CG-CD2 4.19Å; C358-L383 HydrophobicContact CB-CB 4.19Å; Y361-L383 HydrophobicContact CD2-CD2 3.4Å; Y361-L383 VanDerWaalsContact CD2-CD2 3.4Å; Y361-L383 HydrophobicContact CE2-CD2 3.88Å; Y361-L383 HydrophobicContact CG-CD2 4.28Å; L383-C385 WeakPolarHBondContact CD1-O 3.43Å; L383-H386 HydrophobicContact CD1-CB 4.29Å; L383-H386 HydrophobicContact CD2-CB 4.28Å; L383-H386 VanDerWaalsContact CD2-CD2 3.48Å; L383-H386 WeakPolarHBondContact CD2-CD2 3.37Å; L383-F400 HydrophobicContact CD1-CB 4.12Å; L383-F400 HydrophobicContact CD1-CD1 4.12Å; L383-F400 HydrophobicContact CD2-CD1 4.33Å; L383-F402 HydrophobicContact CB-CD1 4.2Å; L383-F402 HydrophobicContact CB-CE1 4.36Å; L383-F402 HydrophobicContact CD1-CD1 3.72Å; L383-F402 HydrophobicContact CD1-CE1 3.72Å; L383-F402 HydrophobicContact CD1-CG 4.28Å; L383-F402 HydrophobicContact CD1-CZ 4.25Å; L383-F402 HydrophobicContact CG-CE1 4.49Å |
| 384 | L | 95.6 | Very high | 91.8 | Very high | 92 Ų | 92 | 74.2 Ų | 74.2 | 48% | 0.482 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -37.3 | -175.3 | -57.6 | 178.3 | 0 | 0 | 0 | 112.1 | L401 | L384-L401 WeakPolarHBondContact CA-O 3.39Å; L384-L401 HydrophobicContact CB-CD2 4.34Å; L384-L401 HydrophobicContact CB-CG 4.22Å; L384-L401 WeakPolarHBondContact CB-O 3.45Å; L384-L401 HydrophobicContact CD1-CD2 4.49Å; L384-L401 HydrophobicContact CD1-CG 4.29Å; L384-L401 PolarHBondContact N-O 3.45Å |
| 385 | C | 95.9 | Very high | 91.7 | Very high | 68 Ų | 68 | 75 Ų | 75 | 46% | 0.459 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 147.5 | 179.6 | -171.4 | 0 | 0 | 0 | 0 | 110.3 | L383 L401 | L383-C385 WeakPolarHBondContact CD1-O 3.43Å; C385-L401 HydrophobicContact CB-CB 4.32Å; C385-L401 PolarHBondContact N-O 3.31Å; C385-L401 PolarHBondContact O-N 2.91Å |
| 386 | H | 96.5 | Very high | 91.8 | Very high | 52 Ų | 52 | 78.5 Ų | 78.5 | 24% | 0.241 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 159.7 | 164.4 | 71.3 | 92.2 | 0 | 0 | 0 | 111.3 | E357 Y361 L383 H398 V399 F400 | E357-H386 IonicContact OE1-NE2 2.67Å; Y361-H386 AromaticContact CE2-CE1 3.98Å; Y361-H386 AromaticContact CE2-NE2 3.76Å; Y361-H386 AromaticContact CZ-CE1 3.73Å; Y361-H386 AromaticContact CZ-NE2 3.97Å; Y361-H386 PolarHBondContact OH-CE1 3.44Å; Y361-H386 VanDerWaalsContact OH-CE1 3.32Å; L383-H386 HydrophobicContact CD1-CB 4.29Å; L383-H386 HydrophobicContact CD2-CB 4.28Å; L383-H386 VanDerWaalsContact CD2-CD2 3.48Å; L383-H386 WeakPolarHBondContact CD2-CD2 3.37Å; H386-H398 AromaticContact CG-NE2 3.88Å; H386-H398 AromaticContact ND1-CE1 3.56Å; H386-H398 AromaticContact ND1-NE2 3.2Å; H386-H398 PolarHBondContact ND1-NE2 2.87Å; H386-H398 VanDerWaalsContact ND1-NE2 3.2Å; H386-V399 CarbonylContact C-O 3.58Å; H386-V399 WeakPolarHBondContact CA-O 3.39Å; H386-V399 WeakPolarHBondContact CB-O 3.26Å; H386-F400 HydrophobicContact CB-CD1 3.48Å; H386-F400 VanDerWaalsContact CB-CD1 3.48Å; H386-F400 HydrophobicContact CB-CE1 3.91Å; H386-F400 HydrophobicContact CB-CG 4.27Å |
| 387 | G | 95.5 | Very high | 92 | Very high | 27 Ų | 27 | 78 Ų | 78 | 28% | 0.278 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.6 | 179.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | H398 V399 | G387-H398 CarbonylContact O-C 3.49Å; G387-H398 WeakPolarHBondContact O-CA 3.28Å; G387-V399 PolarHBondContact N-O 3.41Å; G387-V399 PolarHBondContact O-N 2.9Å |
| 388 | E | 95.8 | Very high | 92.3 | Very high | 107 Ų | 107 | 78.7 Ų | 78.7 | 50% | 0.5 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 130.2 | -179.9 | -64.7 | -171.8 | -171.6 | 0 | 0 | 112.6 | R396 L397 | E388-R396 IonicContact OE1-NH2 2.93Å; E388-R396 PolarHBondContact OE1-NH2 3.42Å; E388-R396 IonicContact OE2-CZ 2.77Å; E388-R396 IonicContact OE2-NE 3.52Å; E388-R396 PolarHBondContact OE2-NE 3.39Å; E388-R396 IonicContact OE2-NH2 3.55Å; E388-R396 PolarHBondContact OE2-NH2 3.28Å; E388-L397 CarbonylContact C-O 3.53Å; E388-L397 VanDerWaalsContact CA-O 3.28Å; E388-L397 WeakPolarHBondContact CA-O 3.42Å |
| 389 | L | 94.8 | Very high | 92.9 | Very high | 109 Ų | 109 | 73 Ų | 73 | 57% | 0.571 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 155.8 | 173.5 | -63.6 | 179.9 | 0 | 0 | 0 | 110.5 | L397 V399 | L389-L397 PolarHBondContact N-O 2.81Å; L389-L397 PolarHBondContact O-N 3.05Å; L389-L397 VanDerWaalsContact O-O 3.12Å; L389-V399 HydrophobicContact CB-CG2 4.31Å; L389-V399 HydrophobicContact CD1-CB 4.31Å; L389-V399 HydrophobicContact CD1-CG2 3.95Å; L389-V399 HydrophobicContact CG-CG2 4.34Å |
| 390 | R | 91.7 | Very high | 93.2 | Very high | 185 Ų | 185 | 67.4 Ų | 67.4 | 70% | 0.698 | 35% | 0.346 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 132.2 | 175 | -69.2 | -175.8 | 179.4 | -148.4 | 0.8 | 110.3 | S395 R396 | R390-S395 WeakPolarHBondContact CA-O 3.49Å; R390-R396 HydrophobicContact CG-CG 4.31Å |
| 391 | T | 90.1 | Very high | 93.5 | Very high | 30 Ų | 30 | 69.5 Ų | 69.5 | 18% | 0.184 | 36% | 0.357 | C | S | . | . | trans | -76.2 | 167.4 | 173.5 | 64 | 0 | 0 | 0 | 0 | 111.2 | S393 G394 S395 L397 | T391-S393 PolarHBondContact O-N 3.46Å; T391-S393 VanDerWaalsContact O-N 3.12Å; T391-S393 PolarHBondContact OG1-N 3.35Å; T391-S393 PolarHBondContact OG1-OG 2.95Å; T391-G394 PolarHBondContact O-N 3.43Å; T391-S395 PolarHBondContact N-O 3.07Å; T391-S395 WeakPolarHBondContact OG1-CB 3.4Å; T391-S395 PolarHBondContact OG1-N 3.29Å; T391-S395 VanDerWaalsContact OG1-N 3.14Å; T391-S395 PolarHBondContact OG1-O 2.91Å; T391-L397 HydrophobicContact CG2-CD1 3.3Å; T391-L397 HydrophobicContact CG2-CG 3.62Å | ||
| 392 | K | 87.4 | Confident | 93.8 | Very high | 163 Ų | 163 | 63 Ų | 63 | 71% | 0.709 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -24.9 | 169.1 | 70.3 | 179.2 | -178.1 | -177.8 | 0 | 114.1 | G394 V442 G445 | K392-G394 VanDerWaalsContact C-N 3.27Å; K392-G394 PolarHBondContact O-N 3.38Å; K392-V442 HydrophobicContact CB-CG1 4.15Å; K392-G445 PolarHBondContact O-N 2.92Å |
| 393 | S | 85.8 | Confident | 93.8 | Very high | 74 Ų | 74 | 61.3 Ų | 61.3 | 52% | 0.517 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 0.7 | 176.5 | 60.1 | 0 | 0 | 0 | 0 | 113.5 | T391 S395 | T391-S393 PolarHBondContact O-N 3.46Å; T391-S393 VanDerWaalsContact O-N 3.12Å; T391-S393 PolarHBondContact OG1-N 3.35Å; T391-S393 PolarHBondContact OG1-OG 2.95Å; S393-S395 VanDerWaalsContact C-N 3.26Å; S393-S395 PolarHBondContact O-N 3.05Å; S393-S395 PolarHBondContact OG-OG 2.93Å; S393-S395 VanDerWaalsContact OG-OG 3.05Å |
| 394 | G | 85.8 | Confident | 93.8 | Very high | 30 Ų | 30 | 64 Ų | 64 | 31% | 0.309 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 81.5 | -1.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T391 K392 G445 | T391-G394 PolarHBondContact O-N 3.43Å; K392-G394 VanDerWaalsContact C-N 3.27Å; K392-G394 PolarHBondContact O-N 3.38Å; G394-G445 WeakPolarHBondContact CA-O 3.38Å |
| 395 | S | 88.7 | Confident | 93.8 | Very high | 49 Ų | 49 | 59.6 Ų | 59.6 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | trans | -72.4 | 139.5 | 178.8 | -48.5 | 0 | 0 | 0 | 0 | 110.6 | R390 T391 S393 | R390-S395 WeakPolarHBondContact CA-O 3.49Å; T391-S395 PolarHBondContact N-O 3.07Å; T391-S395 WeakPolarHBondContact OG1-CB 3.4Å; T391-S395 PolarHBondContact OG1-N 3.29Å; T391-S395 VanDerWaalsContact OG1-N 3.14Å; T391-S395 PolarHBondContact OG1-O 2.91Å; S393-S395 VanDerWaalsContact C-N 3.26Å; S393-S395 PolarHBondContact O-N 3.05Å; S393-S395 PolarHBondContact OG-OG 2.93Å; S393-S395 VanDerWaalsContact OG-OG 3.05Å | ||
| 396 | R | 92.9 | Very high | 93.9 | Very high | 148 Ų | 148 | 57.7 Ų | 57.7 | 56% | 0.558 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 127.2 | 172.5 | -68.5 | 169.2 | 76.8 | -178 | 3.5 | 109.2 | E388 R390 | E388-R396 IonicContact OE1-NH2 2.93Å; E388-R396 PolarHBondContact OE1-NH2 3.42Å; E388-R396 IonicContact OE2-CZ 2.77Å; E388-R396 IonicContact OE2-NE 3.52Å; E388-R396 PolarHBondContact OE2-NE 3.39Å; E388-R396 IonicContact OE2-NH2 3.55Å; E388-R396 PolarHBondContact OE2-NH2 3.28Å; R390-R396 HydrophobicContact CG-CG 4.31Å |
| 397 | L | 95.9 | Very high | 93.9 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 151.5 | 170 | -62.8 | -178.4 | 0 | 0 | 0 | 108.7 | E388 L389 T391 V399 L408 T409 R410 Y423 | E388-L397 CarbonylContact C-O 3.53Å; E388-L397 VanDerWaalsContact CA-O 3.28Å; E388-L397 WeakPolarHBondContact CA-O 3.42Å; L389-L397 PolarHBondContact N-O 2.81Å; L389-L397 PolarHBondContact O-N 3.05Å; L389-L397 VanDerWaalsContact O-O 3.12Å; T391-L397 HydrophobicContact CG2-CD1 3.3Å; T391-L397 HydrophobicContact CG2-CG 3.62Å; L397-V399 HydrophobicContact CB-CG2 4.47Å; L397-L408 HydrophobicContact CD1-CB 4.36Å; L397-L408 HydrophobicContact CD1-CD2 3.89Å; L397-T409 CarbonylContact C-O 3.43Å; L397-T409 VanDerWaalsContact CA-O 3.26Å; L397-T409 WeakPolarHBondContact CA-O 3.34Å; L397-T409 WeakPolarHBondContact CB-O 3.4Å; L397-T409 WeakPolarHBondContact CD2-O 3.41Å; L397-R410 HydrophobicContact CD2-CG 3.58Å; L397-Y423 HydrophobicContact CD1-CD1 3.7Å; L397-Y423 HydrophobicContact CD1-CE1 4.05Å; L397-Y423 HydrophobicContact CD1-CG 4.46Å; L397-Y423 HydrophobicContact CD2-CD1 4.17Å; L397-Y423 HydrophobicContact CD2-CG 4.15Å |
| 398 | H | 97.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 55.9 Ų | 55.9 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.5 | 164.6 | -166.5 | 107 | 0 | 0 | 0 | 107.7 | H386 G387 F400 T409 F420 | H386-H398 AromaticContact CG-NE2 3.88Å; H386-H398 AromaticContact ND1-CE1 3.56Å; H386-H398 AromaticContact ND1-NE2 3.2Å; H386-H398 PolarHBondContact ND1-NE2 2.87Å; H386-H398 VanDerWaalsContact ND1-NE2 3.2Å; G387-H398 CarbonylContact O-C 3.49Å; G387-H398 WeakPolarHBondContact O-CA 3.28Å; H398-F400 AromaticContact CD2-CD2 4Å; H398-F400 AromaticContact CD2-CE1 3.61Å; H398-F400 AromaticContact CD2-CE2 3.42Å; H398-F400 VanDerWaalsContact CD2-CE2 3.42Å; H398-F400 WeakPolarHBondContact CD2-CE2 3.35Å; H398-F400 AromaticContact CD2-CZ 3.2Å; H398-F400 WeakPolarHBondContact CD2-CZ 3.37Å; H398-F400 AromaticContact NE2-CE1 3.42Å; H398-F400 WeakPolarHBondContact NE2-CE1 3.37Å; H398-F400 AromaticContact NE2-CZ 3.41Å; H398-F400 WeakPolarHBondContact NE2-CZ 3.22Å; H398-T409 PolarHBondContact N-O 2.99Å; H398-T409 WeakPolarHBondContact O-CA 3.25Å; H398-T409 PolarHBondContact O-N 3.46Å; H398-T409 PolarHBondContact O-OG1 2.75Å; H398-F420 HydrophobicContact CB-CD1 4.03Å; H398-F420 HydrophobicContact CB-CE1 3.95Å; H398-F420 AromaticContact CD2-CE1 3.8Å; H398-F420 AromaticContact CG-CE1 3.63Å; H398-F420 AromaticContact ND1-CE1 3.88Å |
| 399 | V | 97.7 | Very high | 94 | Very high | 20 Ų | 20 | 50.8 Ų | 50.8 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 134.8 | -174.9 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | H386 G387 L389 L397 L406 L408 | H386-V399 CarbonylContact C-O 3.58Å; H386-V399 WeakPolarHBondContact CA-O 3.39Å; H386-V399 WeakPolarHBondContact CB-O 3.26Å; G387-V399 PolarHBondContact N-O 3.41Å; G387-V399 PolarHBondContact O-N 2.9Å; L389-V399 HydrophobicContact CB-CG2 4.31Å; L389-V399 HydrophobicContact CD1-CB 4.31Å; L389-V399 HydrophobicContact CD1-CG2 3.95Å; L389-V399 HydrophobicContact CG-CG2 4.34Å; L397-V399 HydrophobicContact CB-CG2 4.47Å; V399-L406 HydrophobicContact CG1-CD1 4.48Å; V399-L406 HydrophobicContact CG1-CD2 3.95Å; V399-L406 HydrophobicContact CG1-CG 4.11Å; V399-L408 HydrophobicContact CG2-CD2 4.23Å; V399-L408 HydrophobicContact CG2-CG 4.44Å |
| 400 | F | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129.2 | 172.3 | -60.2 | -84.5 | 0 | 0 | 0 | 108.9 | Y361 L365 L383 H386 H398 F402 L406 V407 T409 F420 | Y361-F400 HydrophobicContact CD1-CD1 4.47Å; Y361-F400 AromaticContact CD1-CE1 3.38Å; Y361-F400 HydrophobicContact CD1-CE1 3.38Å; Y361-F400 AromaticContact CD1-CZ 3.74Å; Y361-F400 HydrophobicContact CD1-CZ 3.74Å; Y361-F400 HydrophobicContact CD2-CE1 4.17Å; Y361-F400 AromaticContact CE1-CE1 3.94Å; Y361-F400 HydrophobicContact CE1-CE1 3.94Å; Y361-F400 HydrophobicContact CE1-CZ 4.33Å; Y361-F400 HydrophobicContact CG-CD1 4.21Å; Y361-F400 AromaticContact CG-CE1 3.51Å; Y361-F400 HydrophobicContact CG-CE1 3.51Å; Y361-F400 HydrophobicContact CG-CZ 4.24Å; L365-F400 HydrophobicContact CD2-CD2 4.23Å; L365-F400 HydrophobicContact CD2-CE2 4.16Å; L383-F400 HydrophobicContact CD1-CB 4.12Å; L383-F400 HydrophobicContact CD1-CD1 4.12Å; L383-F400 HydrophobicContact CD2-CD1 4.33Å; H386-F400 HydrophobicContact CB-CD1 3.48Å; H386-F400 VanDerWaalsContact CB-CD1 3.48Å; H386-F400 HydrophobicContact CB-CE1 3.91Å; H386-F400 HydrophobicContact CB-CG 4.27Å; H398-F400 AromaticContact CD2-CD2 4Å; H398-F400 AromaticContact CD2-CE1 3.61Å; H398-F400 AromaticContact CD2-CE2 3.42Å; H398-F400 VanDerWaalsContact CD2-CE2 3.42Å; H398-F400 WeakPolarHBondContact CD2-CE2 3.35Å; H398-F400 AromaticContact CD2-CZ 3.2Å; H398-F400 WeakPolarHBondContact CD2-CZ 3.37Å; H398-F400 AromaticContact NE2-CE1 3.42Å; H398-F400 WeakPolarHBondContact NE2-CE1 3.37Å; H398-F400 AromaticContact NE2-CZ 3.41Å; H398-F400 WeakPolarHBondContact NE2-CZ 3.22Å; F400-F402 HydrophobicContact CB-CD2 4.09Å; F400-F402 HydrophobicContact CB-CE2 3.46Å; F400-F402 VanDerWaalsContact CB-CE2 3.46Å; F400-F402 HydrophobicContact CB-CZ 3.82Å; F400-F402 HydrophobicContact CD1-CZ 4.4Å; F400-F402 HydrophobicContact CG-CE2 4.22Å; F400-F402 HydrophobicContact CG-CZ 4.19Å; F400-L406 CarbonylContact O-C 3.52Å; F400-L406 WeakPolarHBondContact O-CA 3.31Å; F400-V407 HydrophobicContact CB-CB 4.41Å; F400-V407 PolarHBondContact N-O 2.87Å; F400-V407 PolarHBondContact O-N 2.92Å; F400-T409 HydrophobicContact CD2-CG2 3.87Å; F400-T409 HydrophobicContact CE2-CG2 3.87Å; F400-F420 HydrophobicContact CE2-CB 3.95Å; F400-F420 AromaticContact CE2-CD1 3.77Å; F400-F420 HydrophobicContact CE2-CD1 3.77Å; F400-F420 HydrophobicContact CE2-CD2 4.15Å; F400-F420 HydrophobicContact CE2-CE1 4.28Å; F400-F420 AromaticContact CE2-CG 3.69Å; F400-F420 HydrophobicContact CE2-CG 3.69Å; F400-F420 HydrophobicContact CZ-CB 4.4Å; F400-F420 AromaticContact CZ-CD1 3.74Å; F400-F420 HydrophobicContact CZ-CD1 3.74Å; F400-F420 AromaticContact CZ-CD2 3.73Å; F400-F420 HydrophobicContact CZ-CD2 3.73Å; F400-F420 AromaticContact CZ-CE1 3.83Å; F400-F420 HydrophobicContact CZ-CE1 3.83Å; F400-F420 AromaticContact CZ-CE2 3.83Å; F400-F420 HydrophobicContact CZ-CE2 3.83Å; F400-F420 AromaticContact CZ-CG 3.69Å; F400-F420 HydrophobicContact CZ-CG 3.69Å; F400-F420 AromaticContact CZ-CZ 3.88Å; F400-F420 HydrophobicContact CZ-CZ 3.88Å |
| 401 | L | 97.6 | Very high | 94.1 | Very high | 50 Ų | 50 | 45.3 Ų | 45.3 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 98.2 | 171.1 | 176.7 | 63 | 0 | 0 | 0 | 107.8 | L384 C385 L406 V429 L432 | L384-L401 WeakPolarHBondContact CA-O 3.39Å; L384-L401 HydrophobicContact CB-CD2 4.34Å; L384-L401 HydrophobicContact CB-CG 4.22Å; L384-L401 WeakPolarHBondContact CB-O 3.45Å; L384-L401 HydrophobicContact CD1-CD2 4.49Å; L384-L401 HydrophobicContact CD1-CG 4.29Å; L384-L401 PolarHBondContact N-O 3.45Å; C385-L401 HydrophobicContact CB-CB 4.32Å; C385-L401 PolarHBondContact N-O 3.31Å; C385-L401 PolarHBondContact O-N 2.91Å; L401-L406 HydrophobicContact CD1-CB 4.15Å; L401-L406 HydrophobicContact CD1-CD1 4.37Å; L401-V429 HydrophobicContact CD1-CG2 4.08Å; L401-L432 HydrophobicContact CD1-CD2 4.46Å |
| 402 | F | 96.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 176.4 | 170.6 | -57.2 | -79.9 | 0 | 0 | 0 | 110.7 | C358 I362 C380 T382 L383 F400 E404 L405 V407 | C358-F402 WeakPolarHBondContact SG-CD1 3.29Å; I362-F402 HydrophobicContact CD1-CE1 4.24Å; I362-F402 HydrophobicContact CG1-CE1 3.83Å; I362-F402 HydrophobicContact CG1-CZ 3.9Å; C380-F402 HydrophobicContact CB-CB 3.81Å; C380-F402 HydrophobicContact CB-CD1 4.18Å; C380-F402 HydrophobicContact CB-CG 4.1Å; C380-F402 WeakPolarHBondContact SG-CB 3.36Å; T382-F402 CarbonylContact O-C 3.58Å; T382-F402 VanDerWaalsContact O-CA 3.29Å; T382-F402 WeakPolarHBondContact O-CA 3.34Å; L383-F402 HydrophobicContact CB-CD1 4.2Å; L383-F402 HydrophobicContact CB-CE1 4.36Å; L383-F402 HydrophobicContact CD1-CD1 3.72Å; L383-F402 HydrophobicContact CD1-CE1 3.72Å; L383-F402 HydrophobicContact CD1-CG 4.28Å; L383-F402 HydrophobicContact CD1-CZ 4.25Å; L383-F402 HydrophobicContact CG-CE1 4.49Å; F400-F402 HydrophobicContact CB-CD2 4.09Å; F400-F402 HydrophobicContact CB-CE2 3.46Å; F400-F402 VanDerWaalsContact CB-CE2 3.46Å; F400-F402 HydrophobicContact CB-CZ 3.82Å; F400-F402 HydrophobicContact CD1-CZ 4.4Å; F400-F402 HydrophobicContact CG-CE2 4.22Å; F400-F402 HydrophobicContact CG-CZ 4.19Å; F402-E404 VanDerWaalsContact C-N 3.31Å; F402-E404 PolarHBondContact O-N 2.88Å; F402-L405 WeakPolarHBondContact CA-O 3.31Å; F402-L405 WeakPolarHBondContact CB-O 3.43Å; F402-L405 PolarHBondContact N-O 3.43Å; F402-V407 HydrophobicContact CD2-CG2 3.95Å; F402-V407 HydrophobicContact CE2-CB 4.27Å; F402-V407 HydrophobicContact CE2-CG2 3.8Å |
| 403 | S | 94.3 | Very high | 94.2 | Very high | 27 Ų | 27 | 43.1 Ų | 43.1 | 19% | 0.189 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -55.6 | -45.3 | 176.9 | -1.1 | 0 | 0 | 0 | 0 | 112.3 | T382 | T382-S403 PolarHBondContact N-OG 2.97Å; T382-S403 PolarHBondContact O-N 2.99Å; T382-S403 PolarHBondContact O-OG 2.83Å; T382-S403 VanDerWaalsContact OG1-CB 3.31Å; T382-S403 WeakPolarHBondContact OG1-CB 3.33Å; T382-S403 PolarHBondContact OG1-OG 3.1Å |
| 404 | E | 95.6 | Very high | 94 | Very high | 84 Ų | 84 | 45.5 Ų | 45.5 | 39% | 0.393 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -109.2 | -15.6 | -171.2 | -55.9 | -53.2 | 137.9 | 0 | 0 | 113.4 | L376 E379 F402 P428 V429 | L376-E404 HydrophobicContact CB-CB 4.37Å; E379-E404 HydrophobicContact CB-CG 4.43Å; F402-E404 VanDerWaalsContact C-N 3.31Å; F402-E404 PolarHBondContact O-N 2.88Å; E404-P428 CarbonylContact O-C 3.53Å; E404-P428 WeakPolarHBondContact O-CA 3.36Å; E404-V429 VanDerWaalsContact C-CG2 3.5Å; E404-V429 PolarHBondContact O-N 2.91Å |
| 405 | L | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 140.8 | -171.4 | -78.4 | 167.8 | 0 | 0 | 0 | 113.4 | D374 L376 I377 F402 V407 P426 P428 | D374-L405 HydrophobicContact CB-CD1 4.21Å; D374-L405 HydrophobicContact CB-CD2 4.36Å; L376-L405 HydrophobicContact CB-CD1 3.62Å; L376-L405 HydrophobicContact CB-CD2 4.34Å; L376-L405 HydrophobicContact CB-CG 3.82Å; L376-L405 HydrophobicContact CD1-CD2 4.33Å; L376-L405 HydrophobicContact CD1-CG 4.46Å; I377-L405 HydrophobicContact CB-CD1 4.19Å; I377-L405 HydrophobicContact CD1-CD1 4.42Å; I377-L405 HydrophobicContact CG1-CD1 3.3Å; I377-L405 VanDerWaalsContact N-CD1 3.32Å; F402-L405 WeakPolarHBondContact CA-O 3.31Å; F402-L405 WeakPolarHBondContact CB-O 3.43Å; F402-L405 PolarHBondContact N-O 3.43Å; L405-V407 HydrophobicContact CB-CG2 4.34Å; L405-P426 HydrophobicContact CD2-CB 3.91Å; L405-P428 HydrophobicContact CD2-CB 4.41Å; L405-P428 HydrophobicContact CD2-CG 4.13Å |
| 406 | L | 97.3 | Very high | 93 | Very high | 27 Ų | 27 | 55.8 Ų | 55.8 | 14% | 0.141 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 121.7 | 161.1 | -173.1 | 156.2 | 0 | 0 | 0 | 109.3 | V399 F400 L401 L408 P426 I427 L432 | V399-L406 HydrophobicContact CG1-CD1 4.48Å; V399-L406 HydrophobicContact CG1-CD2 3.95Å; V399-L406 HydrophobicContact CG1-CG 4.11Å; F400-L406 CarbonylContact O-C 3.52Å; F400-L406 WeakPolarHBondContact O-CA 3.31Å; L401-L406 HydrophobicContact CD1-CB 4.15Å; L401-L406 HydrophobicContact CD1-CD1 4.37Å; L406-L408 HydrophobicContact CD2-CD1 3.61Å; L406-L408 HydrophobicContact CD2-CG 3.83Å; L406-P426 WeakPolarHBondContact O-CA 3.47Å; L406-I427 HydrophobicContact CB-CB 4.41Å; L406-I427 HydrophobicContact CD2-CD1 4.45Å; L406-I427 PolarHBondContact N-O 3.13Å; L406-I427 PolarHBondContact O-N 3.01Å; L406-L432 HydrophobicContact CB-CD2 4.46Å; L406-L432 HydrophobicContact CD1-CD1 3.9Å; L406-L432 HydrophobicContact CD1-CD2 3.84Å |
| 407 | V | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 119.3 | -179.6 | -172.3 | 0 | 0 | 0 | 0 | 109.5 | L365 F400 F402 L405 T409 V422 P426 | L365-V407 HydrophobicContact CD1-CG1 4.4Å; L365-V407 HydrophobicContact CD2-CG1 4.22Å; F400-V407 HydrophobicContact CB-CB 4.41Å; F400-V407 PolarHBondContact N-O 2.87Å; F400-V407 PolarHBondContact O-N 2.92Å; F402-V407 HydrophobicContact CD2-CG2 3.95Å; F402-V407 HydrophobicContact CE2-CB 4.27Å; F402-V407 HydrophobicContact CE2-CG2 3.8Å; L405-V407 HydrophobicContact CB-CG2 4.34Å; V407-T409 HydrophobicContact CG1-CG2 3.8Å; V407-V422 HydrophobicContact CG1-CG1 4.23Å; V407-V422 HydrophobicContact CG1-CG2 4.12Å; V407-P426 HydrophobicContact CG2-CB 4.27Å |
| 408 | L | 96.8 | Very high | 91.7 | Very high | 41 Ų | 41 | 61.2 Ų | 61.2 | 22% | 0.215 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 135.9 | 171.3 | -59.3 | 106.6 | 0 | 0 | 0 | 109.3 | L397 V399 L406 Y423 I427 | L397-L408 HydrophobicContact CD1-CB 4.36Å; L397-L408 HydrophobicContact CD1-CD2 3.89Å; V399-L408 HydrophobicContact CG2-CD2 4.23Å; V399-L408 HydrophobicContact CG2-CG 4.44Å; L406-L408 HydrophobicContact CD2-CD1 3.61Å; L406-L408 HydrophobicContact CD2-CG 3.83Å; L408-Y423 HydrophobicContact CB-CD1 4.31Å; L408-Y423 PolarHBondContact O-N 3.49Å; L408-I427 HydrophobicContact CD1-CD1 4.25Å |
| 409 | T | 97.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 161 | -177.7 | 72.3 | 0 | 0 | 0 | 0 | 112.4 | L365 L397 H398 F400 V407 F420 Q421 V422 | L365-T409 HydrophobicContact CD2-CG2 3.73Å; L397-T409 CarbonylContact C-O 3.43Å; L397-T409 VanDerWaalsContact CA-O 3.26Å; L397-T409 WeakPolarHBondContact CA-O 3.34Å; L397-T409 WeakPolarHBondContact CB-O 3.4Å; L397-T409 WeakPolarHBondContact CD2-O 3.41Å; H398-T409 PolarHBondContact N-O 2.99Å; H398-T409 WeakPolarHBondContact O-CA 3.25Å; H398-T409 PolarHBondContact O-N 3.46Å; H398-T409 PolarHBondContact O-OG1 2.75Å; F400-T409 HydrophobicContact CD2-CG2 3.87Å; F400-T409 HydrophobicContact CE2-CG2 3.87Å; V407-T409 HydrophobicContact CG1-CG2 3.8Å; T409-F420 HydrophobicContact CG2-CB 3.98Å; T409-Q421 CarbonylContact C-O 3.56Å; T409-Q421 WeakPolarHBondContact CA-O 3.3Å; T409-Q421 WeakPolarHBondContact CB-O 3.4Å; T409-V422 HydrophobicContact CG2-CG2 4.48Å |
| 410 | R | 95.3 | Very high | 91.3 | Very high | 106 Ų | 106 | 61.2 Ų | 61.2 | 40% | 0.4 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.4 | 165.5 | -70.1 | 173.1 | 177.8 | 160.4 | -7.6 | 108 | L397 V412 Q421 Y423 | L397-R410 HydrophobicContact CD2-CG 3.58Å; R410-V412 PolarHBondContact O-N 2.94Å; R410-Q421 PolarHBondContact N-O 2.76Å; R410-Q421 PolarHBondContact O-N 3.09Å; R410-Y423 VanDerWaalsContact CZ-CD2 3.48Å |
| 411 | P | 93.3 | Very high | 91.2 | Very high | 73 Ų | 73 | 62.7 Ų | 62.7 | 47% | 0.474 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 127.8 | 172.3 | 26.9 | -31.8 | 0 | 0 | 0 | 109.2 | F420 | P411-F420 HydrophobicContact CB-CE1 4.47Å |
| 412 | V | 92.3 | Very high | 91.2 | Very high | 41 Ų | 41 | 60.5 Ų | 60.5 | 25% | 0.248 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 146 | 178.9 | -176.5 | 0 | 0 | 0 | 0 | 108.4 | R410 R414 C419 Q421 | R410-V412 PolarHBondContact O-N 2.94Å; V412-R414 HydrophobicContact CG1-CG 4.06Å; V412-C419 PolarHBondContact N-O 3.31Å; V412-C419 PolarHBondContact O-N 2.95Å; V412-C419 VanDerWaalsContact O-O 3.07Å; V412-C419 PolarHBondContact O-SG 3.22Å; V412-C419 VanDerWaalsContact O-SG 3.37Å; V412-Q421 HydrophobicContact CG2-CB 3.78Å |
| 413 | T | 87.9 | Confident | 91.1 | Very high | 107 Ų | 107 | 63.2 Ų | 63.2 | 66% | 0.656 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 119.7 | 171.6 | -51.5 | 0 | 0 | 0 | 0 | 108.4 | R417 | T413-R417 WeakPolarHBondContact CA-O 3.47Å |
| 414 | R | 80.9 | Confident | 91 | Very high | 124 Ų | 124 | 70.3 Ų | 70.3 | 47% | 0.468 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.9 | 174 | -66.6 | -170.1 | -175.7 | -109.9 | 10.1 | 109.4 | E366 V412 D416 R417 | E366-R414 IonicContact OE1-CZ 3.52Å; E366-R414 IonicContact OE1-NE 2.59Å; E366-R414 PolarHBondContact OE1-NE 2.74Å; E366-R414 IonicContact OE1-NH2 3.13Å; E366-R414 PolarHBondContact OE1-NH2 2.87Å; E366-R414 WeakPolarHBondContact OE2-CD 3.24Å; E366-R414 IonicContact OE2-CZ 3.18Å; E366-R414 IonicContact OE2-NE 3.09Å; E366-R414 PolarHBondContact OE2-NE 3.19Å; V412-R414 HydrophobicContact CG1-CG 4.06Å; R414-D416 VanDerWaalsContact C-N 3.28Å; R414-D416 PolarHBondContact O-N 3.19Å; R414-R417 PolarHBondContact N-O 3.19Å; R414-R417 WeakPolarHBondContact O-CA 3.25Å; R414-R417 WeakPolarHBondContact O-CB 3.48Å; R414-R417 PolarHBondContact O-N 3.38Å |
| 415 | N | 78.4 | Confident | 91 | Very high | 158 Ų | 158 | 71 Ų | 71 | 85% | 0.845 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 47.2 | 178 | -57.3 | -24.3 | 0 | 0 | 0 | 113 | R417 | N415-R417 PolarHBondContact O-N 3.38Š|
| 416 | D | 73.9 | Confident | 91 | Very high | 137 Ų | 137 | 71.4 Ų | 71.4 | 73% | 0.733 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 13.8 | -174.9 | -61.8 | -26.8 | 0 | 0 | 0 | 116.1 | R414 | R414-D416 VanDerWaalsContact C-N 3.28Å; R414-D416 PolarHBondContact O-N 3.19Å |
| 417 | R | 77.3 | Confident | 90.9 | Very high | 202 Ų | 202 | 72.9 Ų | 72.9 | 76% | 0.762 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 127.9 | 172 | -61.2 | -176.5 | -179.8 | -168.1 | -1.1 | 110.1 | T413 R414 N415 | T413-R417 WeakPolarHBondContact CA-O 3.47Å; R414-R417 PolarHBondContact N-O 3.19Å; R414-R417 WeakPolarHBondContact O-CA 3.25Å; R414-R417 WeakPolarHBondContact O-CB 3.48Å; R414-R417 PolarHBondContact O-N 3.38Å; N415-R417 PolarHBondContact O-N 3.38Å |
| 418 | S | 84.6 | Confident | 90.9 | Very high | 66 Ų | 66 | 73.6 Ų | 73.6 | 46% | 0.462 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 119.3 | 168.9 | 54.4 | 0 | 0 | 0 | 0 | 110 | K364 | K364-S418 PolarHBondContact NZ-O 3.44Å; K364-S418 VanDerWaalsContact NZ-O 3.11Å; K364-S418 PolarHBondContact NZ-OG 2.94Å; K364-S418 VanDerWaalsContact NZ-OG 3.13Å |
| 419 | C | 92.6 | Very high | 90.9 | Very high | 18 Ų | 18 | 74.1 Ų | 74.1 | 12% | 0.122 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 165.7 | 175.2 | 61.5 | 0 | 0 | 0 | 0 | 111 | E366 V412 | E366-C419 PolarHBondContact OE2-SG 3.48Å; V412-C419 PolarHBondContact N-O 3.31Å; V412-C419 PolarHBondContact O-N 2.95Å; V412-C419 VanDerWaalsContact O-O 3.07Å; V412-C419 PolarHBondContact O-SG 3.22Å; V412-C419 VanDerWaalsContact O-SG 3.37Å |
| 420 | F | 95.1 | Very high | 90.8 | Very high | 23 Ų | 23 | 83 Ų | 83 | 10% | 0.101 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 97.3 | -179.4 | -66.7 | -78.9 | 0 | 0 | 0 | 109.2 | Y361 K364 L365 E366 H398 F400 T409 P411 V422 | Y361-F420 HydrophobicContact CD1-CD2 4.4Å; Y361-F420 AromaticContact CD1-CE2 3.78Å; Y361-F420 HydrophobicContact CD1-CE2 3.78Å; Y361-F420 HydrophobicContact CD1-CZ 4.39Å; Y361-F420 AromaticContact CE1-CE2 3.93Å; Y361-F420 HydrophobicContact CE1-CE2 3.93Å; Y361-F420 HydrophobicContact CE1-CZ 4.18Å; K364-F420 HydrophobicContact CB-CD2 3.89Å; K364-F420 HydrophobicContact CB-CE2 4.41Å; K364-F420 HydrophobicContact CD-CE2 4.38Å; K364-F420 PolarHBondContact O-N 3.22Å; L365-F420 WeakPolarHBondContact CA-O 3.45Å; L365-F420 HydrophobicContact CD2-CB 4.04Å; E366-F420 PolarHBondContact N-O 3.29Å; H398-F420 HydrophobicContact CB-CD1 4.03Å; H398-F420 HydrophobicContact CB-CE1 3.95Å; H398-F420 AromaticContact CD2-CE1 3.8Å; H398-F420 AromaticContact CG-CE1 3.63Å; H398-F420 AromaticContact ND1-CE1 3.88Å; F400-F420 HydrophobicContact CE2-CB 3.95Å; F400-F420 AromaticContact CE2-CD1 3.77Å; F400-F420 HydrophobicContact CE2-CD1 3.77Å; F400-F420 HydrophobicContact CE2-CD2 4.15Å; F400-F420 HydrophobicContact CE2-CE1 4.28Å; F400-F420 AromaticContact CE2-CG 3.69Å; F400-F420 HydrophobicContact CE2-CG 3.69Å; F400-F420 HydrophobicContact CZ-CB 4.4Å; F400-F420 AromaticContact CZ-CD1 3.74Å; F400-F420 HydrophobicContact CZ-CD1 3.74Å; F400-F420 AromaticContact CZ-CD2 3.73Å; F400-F420 HydrophobicContact CZ-CD2 3.73Å; F400-F420 AromaticContact CZ-CE1 3.83Å; F400-F420 HydrophobicContact CZ-CE1 3.83Å; F400-F420 AromaticContact CZ-CE2 3.83Å; F400-F420 HydrophobicContact CZ-CE2 3.83Å; F400-F420 AromaticContact CZ-CG 3.69Å; F400-F420 HydrophobicContact CZ-CG 3.69Å; F400-F420 AromaticContact CZ-CZ 3.88Å; F400-F420 HydrophobicContact CZ-CZ 3.88Å; T409-F420 HydrophobicContact CG2-CB 3.98Å; P411-F420 HydrophobicContact CB-CE1 4.47Å; F420-V422 PolarHBondContact O-N 3.1Å |
| 421 | Q | 95.6 | Very high | 90.9 | Very high | 30 Ų | 30 | 82.6 Ų | 82.6 | 14% | 0.14 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 121.6 | 179.7 | 179.5 | 178.4 | 74.1 | 0 | 0 | 110.4 | E366 L368 T409 R410 V412 Y423 | E366-Q421 CarbonylContact O-C 3.59Å; E366-Q421 WeakPolarHBondContact O-CA 3.44Å; L368-Q421 HydrophobicContact CD1-CG 4.07Å; L368-Q421 HydrophobicContact CG-CG 4.04Å; T409-Q421 CarbonylContact C-O 3.56Å; T409-Q421 WeakPolarHBondContact CA-O 3.3Å; T409-Q421 WeakPolarHBondContact CB-O 3.4Å; R410-Q421 PolarHBondContact N-O 2.76Å; R410-Q421 PolarHBondContact O-N 3.09Å; V412-Q421 HydrophobicContact CG2-CB 3.78Å; Q421-Y423 PolarHBondContact O-N 3.03Å |
| 422 | V | 96.3 | Very high | 91 | Very high | 4 Ų | 4 | 82 Ų | 82 | 2% | 0.024 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 126.4 | -177 | 179 | 0 | 0 | 0 | 0 | 110.7 | L365 E366 F367 Q372 V407 T409 F420 P426 | L365-V422 HydrophobicContact CB-CG2 4.28Å; L365-V422 HydrophobicContact CD2-CG2 4.37Å; E366-V422 PolarHBondContact O-N 2.78Å; F367-V422 HydrophobicContact CD1-CB 4.17Å; F367-V422 HydrophobicContact CD1-CG1 4.42Å; F367-V422 HydrophobicContact CD1-CG2 3.74Å; F367-V422 HydrophobicContact CE1-CB 4.43Å; F367-V422 HydrophobicContact CE1-CG2 3.64Å; F367-V422 HydrophobicContact CG-CG2 4.3Å; F367-V422 HydrophobicContact CZ-CG2 4.08Å; Q372-V422 HydrophobicContact CB-CG1 4.27Å; Q372-V422 PolarHBondContact NE2-O 2.84Å; V407-V422 HydrophobicContact CG1-CG1 4.23Å; V407-V422 HydrophobicContact CG1-CG2 4.12Å; T409-V422 HydrophobicContact CG2-CG2 4.48Å; F420-V422 PolarHBondContact O-N 3.1Å; V422-P426 HydrophobicContact CG1-CG 4.35Å |
| 423 | Y | 94.6 | Very high | 91.3 | Very high | 60 Ų | 60 | 85.5 Ų | 85.5 | 24% | 0.235 | 41% | 0.413 | C | S | . | . | trans | -104.8 | 114.2 | 179.8 | 178.4 | -107.2 | 0 | 0 | 0 | 109.9 | L397 L408 R410 Q421 | L397-Y423 HydrophobicContact CD1-CD1 3.7Å; L397-Y423 HydrophobicContact CD1-CE1 4.05Å; L397-Y423 HydrophobicContact CD1-CG 4.46Å; L397-Y423 HydrophobicContact CD2-CD1 4.17Å; L397-Y423 HydrophobicContact CD2-CG 4.15Å; L408-Y423 HydrophobicContact CB-CD1 4.31Å; L408-Y423 PolarHBondContact O-N 3.49Å; R410-Y423 VanDerWaalsContact CZ-CD2 3.48Å; Q421-Y423 PolarHBondContact O-N 3.03Å | ||
| 424 | R | 93.2 | Very high | 91.6 | Very high | 175 Ų | 175 | 88.3 Ų | 88.3 | 66% | 0.66 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 63.4 | -163.9 | -175.6 | -55.3 | -68 | -169 | 149.9 | -0.8 | 111.5 | Q372 | Q372-R424 PolarHBondContact NE2-O 2.74Š|
| 425 | Q | 94.8 | Very high | 92.4 | Very high | 99 Ų | 99 | 89.4 Ų | 89.4 | 46% | 0.463 | 43% | 0.434 | S | S | . | . | trans | -80.5 | 133.6 | 179.1 | -69.8 | -61.2 | -20.1 | 0 | 0 | 110 | K371 | K371-Q425 VanDerWaalsContact O-CD 3.27Å; K371-Q425 PolarHBondContact O-NE2 3.17Å; K371-Q425 PolarHBondContact O-OE1 2.74Å | ||
| 426 | P | 96.1 | Very high | 93.2 | Very high | 8 Ų | 8 | 88.6 Ų | 88.6 | 5% | 0.052 | 43% | 0.429 | C | S | . | . | trans | -51.7 | 147.9 | 161.9 | -26.2 | 36.9 | 0 | 0 | 0 | 111.2 | Q372 L405 L406 V407 V422 | Q372-P426 VanDerWaalsContact O-CD 3.24Å; Q372-P426 WeakPolarHBondContact O-CD 3.08Å; Q372-P426 VanDerWaalsContact O-CG 3.28Å; Q372-P426 WeakPolarHBondContact O-CG 3.27Å; L405-P426 HydrophobicContact CD2-CB 3.91Å; L406-P426 WeakPolarHBondContact O-CA 3.47Å; V407-P426 HydrophobicContact CG2-CB 4.27Å; V422-P426 HydrophobicContact CG1-CG 4.35Å | ||
| 427 | I | 96.7 | Very high | 94.1 | Very high | 59 Ų | 59 | 86.4 Ų | 86.4 | 30% | 0.303 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 111.3 | -177.9 | -54.1 | 173.8 | 0 | 0 | 0 | 107.7 | L406 L408 V429 L432 | L406-I427 HydrophobicContact CB-CB 4.41Å; L406-I427 HydrophobicContact CD2-CD1 4.45Å; L406-I427 PolarHBondContact N-O 3.13Å; L406-I427 PolarHBondContact O-N 3.01Å; L408-I427 HydrophobicContact CD1-CD1 4.25Å; I427-V429 PolarHBondContact O-N 2.69Å; I427-L432 HydrophobicContact CG2-CB 4.22Å; I427-L432 HydrophobicContact CG2-CD1 4.08Å |
| 428 | P | 96.7 | Very high | 94.9 | Very high | 14 Ų | 14 | 83.6 Ų | 83.6 | 9% | 0.091 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 137.1 | 171.8 | -25.6 | 35.1 | 0 | 0 | 0 | 110.8 | L376 E404 L405 R430 D431 L432 | L376-P428 HydrophobicContact CD1-CB 4.01Å; L376-P428 HydrophobicContact CD1-CG 4.15Å; E404-P428 CarbonylContact O-C 3.53Å; E404-P428 WeakPolarHBondContact O-CA 3.36Å; L405-P428 HydrophobicContact CD2-CB 4.41Å; L405-P428 HydrophobicContact CD2-CG 4.13Å; P428-R430 HydrophobicContact CB-CG 3.84Å; P428-R430 PolarHBondContact O-N 3.05Å; P428-D431 HydrophobicContact CB-CB 4.42Å; P428-D431 WeakPolarHBondContact CB-OD2 3.29Å; P428-D431 CarbonylContact O-C 3.58Å; P428-D431 WeakPolarHBondContact O-CA 3.47Å; P428-D431 PolarHBondContact O-N 3.4Å; P428-L432 PolarHBondContact O-N 2.99Å; P428-L432 VanDerWaalsContact O-N 3.08Å |
| 429 | V | 96 | Very high | 95.1 | Very high | 53 Ų | 53 | 88.9 Ų | 88.9 | 32% | 0.321 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -60.8 | -33 | -177 | 168.5 | 0 | 0 | 0 | 0 | 111.4 | L401 E404 I427 D431 L432 | L401-V429 HydrophobicContact CD1-CG2 4.08Å; E404-V429 VanDerWaalsContact C-CG2 3.5Å; E404-V429 PolarHBondContact O-N 2.91Å; I427-V429 PolarHBondContact O-N 2.69Å; V429-D431 PolarHBondContact O-N 2.89Å; V429-L432 WeakPolarHBondContact O-CB 3.37Å; V429-L432 PolarHBondContact O-N 3.13Å; V429-L432 VanDerWaalsContact O-N 3.16Å |
| 430 | R | 95.3 | Very high | 94.7 | Very high | 186 Ų | 186 | 91.5 Ų | 91.5 | 70% | 0.702 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -59.4 | -25.5 | 172.1 | 62.3 | 178.4 | 179.8 | -134.3 | -2.2 | 114.1 | P428 | P428-R430 HydrophobicContact CB-CG 3.84Å; P428-R430 PolarHBondContact O-N 3.05Å |
| 431 | D | 96.4 | Very high | 94.1 | Very high | 97 Ų | 97 | 95.3 Ų | 95.3 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -105.6 | -1.1 | -178.5 | -56.3 | -40 | 0 | 0 | 0 | 111.8 | P428 V429 V433 | P428-D431 HydrophobicContact CB-CB 4.42Å; P428-D431 WeakPolarHBondContact CB-OD2 3.29Å; P428-D431 CarbonylContact O-C 3.58Å; P428-D431 WeakPolarHBondContact O-CA 3.47Å; P428-D431 PolarHBondContact O-N 3.4Å; V429-D431 PolarHBondContact O-N 2.89Å; D431-V433 PolarHBondContact O-N 3.5Å |
| 432 | L | 96.8 | Very high | 93.5 | Very high | 61 Ų | 61 | 97.2 Ų | 97.2 | 32% | 0.319 | 50% | 0.497 | S | S | . | . | trans | -77.8 | 120.2 | -177 | -179.4 | 64.6 | 0 | 0 | 0 | 111.1 | L401 L406 I427 P428 V429 | L401-L432 HydrophobicContact CD1-CD2 4.46Å; L406-L432 HydrophobicContact CB-CD2 4.46Å; L406-L432 HydrophobicContact CD1-CD1 3.9Å; L406-L432 HydrophobicContact CD1-CD2 3.84Å; I427-L432 HydrophobicContact CG2-CB 4.22Å; I427-L432 HydrophobicContact CG2-CD1 4.08Å; P428-L432 PolarHBondContact O-N 2.99Å; P428-L432 VanDerWaalsContact O-N 3.08Å; V429-L432 WeakPolarHBondContact O-CB 3.37Å; V429-L432 PolarHBondContact O-N 3.13Å; V429-L432 VanDerWaalsContact O-N 3.16Å | ||
| 433 | V | 97 | Very high | 92.6 | Very high | 115 Ų | 115 | 108.4 Ų | 108.4 | 70% | 0.697 | 54% | 0.539 | S | S | * | . | trans | -104.5 | 129 | 170.2 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | D431 E435 | D431-V433 PolarHBondContact O-N 3.5Å; V433-E435 HydrophobicContact CG1-CG 4.42Å | ||
| 434 | L | 96 | Very high | 91.5 | Very high | 166 Ų | 166 | 110.9 Ų | 110.9 | 87% | 0.869 | 56% | 0.556 | S | S | * | * | trans | -111.8 | 124.1 | 177.4 | 179.9 | 65.7 | 0 | 0 | 0 | 110 | ||||
| 435 | E | 96.4 | Very high | 89.8 | Confident | 147 Ų | 147 | 104.7 Ų | 104.7 | 69% | 0.687 | 55% | 0.546 | S | S | * | . | trans | -116.3 | 132.7 | 175.7 | -65.7 | 179.9 | 179.9 | 0 | 0 | 109.9 | V433 | V433-E435 HydrophobicContact CG1-CG 4.42Š| ||
| 436 | D | 95.7 | Very high | 88 | Confident | 140 Ų | 140 | 102.3 Ų | 102.3 | 75% | 0.749 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 120.1 | 172 | -175.2 | 27.3 | 0 | 0 | 0 | 108.8 | ||
| 437 | L | 93.5 | Very high | 85.6 | Confident | 92 Ų | 92 | 107.3 Ų | 107.3 | 48% | 0.482 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -104 | 139.8 | -177.2 | -61.2 | 178 | 0 | 0 | 0 | 110.1 | E441 V442 | L437-E441 WeakPolarHBondContact CA-OE2 3.42Å; L437-V442 HydrophobicContact CD1-CG2 3.86Å |
| 438 | Q | 93.4 | Very high | 83.4 | Confident | 143 Ų | 143 | 112.8 Ų | 112.8 | 67% | 0.668 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 151.1 | 175.7 | -63.5 | 175.7 | 75.8 | 0 | 0 | 111.6 | G440 E441 | Q438-G440 PolarHBondContact O-N 2.6Å; Q438-G440 VanDerWaalsContact O-N 3.1Å; Q438-E441 HydrophobicContact CB-CG 4.01Å; Q438-E441 WeakPolarHBondContact CB-OE1 3.32Å; Q438-E441 PolarHBondContact N-OE2 3.12Å; Q438-E441 PolarHBondContact NE2-OE1 2.8Å; Q438-E441 WeakPolarHBondContact O-CB 3.27Å; Q438-E441 PolarHBondContact O-N 2.74Å; Q438-E441 VanDerWaalsContact O-N 3.09Å |
| 439 | D | 89.1 | Confident | 81.2 | Confident | 176 Ų | 176 | 123.4 Ų | 123.4 | 94% | 0.941 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55 | 118.8 | 174.9 | -72.6 | -20.8 | 0 | 0 | 0 | 110.6 | ||
| 440 | G | 82.9 | Confident | 78.9 | Confident | 73 Ų | 73 | 123.8 Ų | 123.8 | 75% | 0.753 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 96.8 | -6.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116 | Q438 V442 | Q438-G440 PolarHBondContact O-N 2.6Å; Q438-G440 VanDerWaalsContact O-N 3.1Å; G440-V442 VanDerWaalsContact C-N 3.29Å; G440-V442 PolarHBondContact O-N 3.02Å |
| 441 | E | 84.1 | Confident | 76.6 | Confident | 104 Ų | 104 | 117.9 Ų | 117.9 | 49% | 0.486 | 65% | 0.649 | S | S | . | * | S | Bend | trans | -64.4 | -34 | 175.5 | -78.5 | 177.7 | 175.2 | 0 | 0 | 112.3 | L437 Q438 | L437-E441 WeakPolarHBondContact CA-OE2 3.42Å; Q438-E441 HydrophobicContact CB-CG 4.01Å; Q438-E441 WeakPolarHBondContact CB-OE1 3.32Å; Q438-E441 PolarHBondContact N-OE2 3.12Å; Q438-E441 PolarHBondContact NE2-OE1 2.8Å; Q438-E441 WeakPolarHBondContact O-CB 3.27Å; Q438-E441 PolarHBondContact O-N 2.74Å; Q438-E441 VanDerWaalsContact O-N 3.09Å |
| 442 | V | 83.3 | Confident | 74.3 | Confident | 69 Ų | 69 | 121.8 Ų | 121.8 | 42% | 0.418 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -117.3 | 122.7 | 178.5 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | K392 L437 G440 L444 | K392-V442 HydrophobicContact CB-CG1 4.15Å; L437-V442 HydrophobicContact CD1-CG2 3.86Å; G440-V442 VanDerWaalsContact C-N 3.29Å; G440-V442 PolarHBondContact O-N 3.02Å; V442-L444 PolarHBondContact O-N 2.98Å; V442-L444 VanDerWaalsContact O-N 3.12Å |
| 443 | R | 76.3 | Confident | 71.7 | Confident | 239 Ų | 239 | 124.8 Ų | 124.8 | 90% | 0.902 | 68% | 0.683 | S | S | * | * | trans | -71.1 | 104.7 | 168.4 | -70.5 | -177.7 | 176.7 | 168.9 | -0.4 | 109.1 | G445 | R443-G445 PolarHBondContact O-N 3.35Š| ||
| 444 | L | 72.9 | Confident | 69 | Low | 113 Ų | 113 | 125.9 Ų | 125.9 | 59% | 0.592 | 69% | 0.685 | S | S | * | * | trans | -67.1 | 122.9 | 169.4 | -65 | 172.6 | 0 | 0 | 0 | 108.7 | V442 G446 | V442-L444 PolarHBondContact O-N 2.98Å; V442-L444 VanDerWaalsContact O-N 3.12Å; L444-G446 PolarHBondContact O-N 3.13Å | ||
| 445 | G | 56.7 | Low | 66.4 | Low | 44 Ų | 44 | 122 Ų | 122 | 45% | 0.454 | 69% | 0.685 | S | S | . | * | trans | -62.6 | 90 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | K392 G394 R443 | K392-G445 PolarHBondContact O-N 2.92Å; G394-G445 WeakPolarHBondContact CA-O 3.38Å; R443-G445 PolarHBondContact O-N 3.35Å | ||
| 446 | G | 55.9 | Low | 64 | Low | 49 Ų | 49 | 123.1 Ų | 123.1 | 51% | 0.505 | 69% | 0.69 | S | S | . | * | trans | -139.8 | 122.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | L444 F448 | L444-G446 PolarHBondContact O-N 3.13Å; G446-F448 PolarHBondContact O-N 2.75Å | ||
| 447 | S | 47.2 | Very low | 61.4 | Low | 113 Ų | 113 | 126.5 Ų | 126.5 | 79% | 0.79 | 70% | 0.699 | S | S | * | * | trans | -60.8 | 106.4 | 179.3 | -177.4 | 0 | 0 | 0 | 0 | 110 | R449 | S447-R449 PolarHBondContact O-N 3.41Å; S447-R449 VanDerWaalsContact OG-CB 3.27Å; S447-R449 WeakPolarHBondContact OG-CB 3.46Å; S447-R449 PolarHBondContact OG-N 3.41Å | ||
| 448 | F | 50.3 | Low | 59 | Low | 174 Ų | 174 | 125.7 Ų | 125.7 | 76% | 0.763 | 71% | 0.712 | S | S | * | * | trans | -74 | 4.3 | 165.9 | -89.5 | -87.3 | 0 | 0 | 0 | 112.5 | G446 G450 A451 | G446-F448 PolarHBondContact O-N 2.75Å; F448-G450 PolarHBondContact O-N 3.14Å; F448-A451 PolarHBondContact O-N 2.95Å | ||
| 449 | R | 50.5 | Low | 56.2 | Low | 237 Ų | 237 | 132.7 Ų | 132.7 | 89% | 0.894 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 25.5 | -167.2 | -131.1 | -178.3 | -162 | -103.8 | 3.8 | 114.7 | S447 | S447-R449 PolarHBondContact O-N 3.41Å; S447-R449 VanDerWaalsContact OG-CB 3.27Å; S447-R449 WeakPolarHBondContact OG-CB 3.46Å; S447-R449 PolarHBondContact OG-N 3.41Å |
| 450 | G | 47.1 | Very low | 54.5 | Low | 61 Ų | 61 | 130.6 Ų | 130.6 | 63% | 0.629 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.6 | 0.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | F448 | F448-G450 PolarHBondContact O-N 3.14Š|
| 451 | A | 46.9 | Very low | 53 | Low | 63 Ų | 63 | 133.6 Ų | 133.6 | 52% | 0.521 | 73% | 0.729 | S | S | . | * | S | Bend | trans | -88.3 | -14 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | F448 | F448-A451 PolarHBondContact O-N 2.95Š|
| 452 | F | 47.3 | Very low | 51.3 | Low | 178 Ų | 178 | 135.2 Ų | 135.2 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | trans | -146 | 67.5 | -178.5 | -57.1 | -78 | 0 | 0 | 0 | 110.9 | ||||
| 453 | T | 43.9 | Very low | 49.4 | Very low | 125 Ų | 125 | 139.1 Ų | 139.1 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | -89.8 | 103.4 | 155.5 | 51.8 | 0 | 0 | 0 | 0 | 107.4 | G455 | T453-G455 PolarHBondContact O-N 3.11Š| ||
| 454 | N | 40.5 | Very low | 47.7 | Very low | 137 Ų | 137 | 132.9 Ų | 132.9 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | trans | -45.4 | 114.6 | 173.5 | -78.4 | -8.6 | 0 | 0 | 0 | 111.3 | E456 | N454-E456 PolarHBondContact O-N 2.85Å; N454-E456 VanDerWaalsContact O-N 3.07Å | ||
| 455 | G | 40.5 | Very low | 46.1 | Very low | 85 Ų | 85 | 134.2 Ų | 134.2 | 88% | 0.876 | 76% | 0.764 | S | S | * | * | trans | -76.8 | 66.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | T453 | T453-G455 PolarHBondContact O-N 3.11Š| ||
| 456 | E | 45.9 | Very low | 45.3 | Very low | 170 Ų | 170 | 140.6 Ų | 140.6 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -121.2 | 92.9 | 160 | -93.8 | -173.9 | 127 | 0 | 0 | 107.4 | N454 | N454-E456 PolarHBondContact O-N 2.85Å; N454-E456 VanDerWaalsContact O-N 3.07Å | ||
| 457 | K | 41 | Very low | 44.5 | Very low | 212 Ų | 212 | 147.7 Ų | 147.7 | 92% | 0.922 | 81% | 0.808 | S | S | * | * | trans | -116.5 | 107.1 | 148.6 | -81.6 | -168.9 | 175.5 | -176.5 | 0 | 106.7 | ||||
| 458 | G | 42.4 | Very low | 44.2 | Very low | 74 Ų | 74 | 150.6 Ų | 150.6 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -75.6 | 161.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 459 | K | 34.6 | Very low | 43.7 | Very low | 291 Ų | 291 | 148.5 Ų | 148.5 | 100% | 1.265 | 81% | 0.813 | S | S | * | * | trans | 76.2 | 0 | 176.2 | -70 | -172.9 | 175 | -178.7 | 0 | 116.8 |
Retrieved 459 of 459 residues in 2295.3 ms
(Link to these results)