| 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 | 41.2 | Very low | 36.9 | Very low | 252 Ų | 252 | 125.2 Ų | 125.2 | 100% | 1.241 | 80% | 0.799 | S | S | * | * | 0 | 116.3 | 0 | -70.9 | -177.7 | 176.8 | 0 | 0 | 107.2 | |||||
| 2 | G | 42.7 | Very low | 36.6 | Very low | 68 Ų | 68 | 123.8 Ų | 123.8 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | 70.8 | 107.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 3 | S | 33.4 | Very low | 36.5 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | cis | 61.6 | 121.4 | 41.1 | -30.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 4 | T | 36.9 | Very low | 36.8 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 69% | 0.693 | 81% | 0.81 | S | S | * | * | 172.5 | 141 | 53.1 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 5 | L | 35.2 | Very low | 36.6 | Very low | 149 Ų | 149 | 135.1 Ų | 135.1 | 78% | 0.78 | 81% | 0.812 | S | S | * | * | trans | 59.5 | 122.5 | 144.9 | -63.4 | 166.7 | 0 | 0 | 0 | 123.2 | ||||
| 6 | T | 35.6 | Very low | 36.5 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 66% | 0.663 | 82% | 0.818 | S | S | * | * | 86.2 | 138.4 | 86.6 | -30.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 7 | T | 37.4 | Very low | 36.5 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | cis | -173.3 | 160.1 | 47.9 | -45.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 8 | A | 35.9 | Very low | 36.5 | Very low | 81 Ų | 81 | 139 Ų | 139 | 67% | 0.669 | 82% | 0.822 | S | S | * | * | trans | -41.4 | 170 | 175.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 9 | I | 35.7 | Very low | 36.6 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | -166.3 | 148.2 | 71.2 | -73.9 | 168.3 | 0 | 0 | 0 | 112.4 | |||||
| 10 | P | 37.7 | Very low | 36.5 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 82% | 0.816 | S | S | * | * | trans | -118.1 | 178.3 | -178.3 | 42.2 | -31.1 | 0 | 0 | 0 | 117.2 | ||||
| 11 | G | 34.3 | Very low | 36.5 | Very low | 81 Ų | 81 | 140.1 Ų | 140.1 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | trans | 112.8 | 146.9 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 12 | A | 32.9 | Very low | 36.4 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | cis | -163.5 | 158.8 | 18.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 13 | T | 35.6 | Very low | 35.9 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -93.1 | 149.1 | 166.7 | 39.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 14 | H | 40.2 | Very low | 35.9 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | trans | -168.8 | 147.9 | 141.2 | -115.9 | -85.7 | 0 | 0 | 0 | 113.4 | ||||
| 15 | R | 33.6 | Very low | 36 | Very low | 225 Ų | 225 | 145.5 Ų | 145.5 | 85% | 0.849 | 80% | 0.802 | S | S | * | * | trans | -110.3 | 138.5 | -173 | -179.1 | -166 | -134.1 | -178.8 | 4.4 | 108.2 | ||||
| 16 | F | 35.8 | Very low | 36.2 | Very low | 205 Ų | 205 | 143.5 Ų | 143.5 | 90% | 0.899 | 80% | 0.801 | S | S | * | * | trans | -160.2 | 135.2 | 154.2 | -107.5 | -77.4 | 0 | 0 | 0 | 112.5 | ||||
| 17 | Q | 35.6 | Very low | 36.6 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -79.5 | 151.2 | 171.2 | -73.3 | 176.6 | -17.6 | 0 | 0 | 110.9 | ||||
| 18 | G | 37.4 | Very low | 37.1 | Very low | 78 Ų | 78 | 147.4 Ų | 147.4 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -175.4 | 134.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 19 | K | 37.5 | Very low | 37.1 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -79.5 | 161.1 | -161.6 | -81.9 | 173.1 | 166.4 | -174.4 | 0 | 116.1 | ||||
| 20 | E | 35.2 | Very low | 37.6 | Very low | 158 Ų | 158 | 150.7 Ų | 150.7 | 74% | 0.738 | 80% | 0.803 | S | S | * | * | trans | 62.1 | 119.4 | 139.3 | -74.7 | 163.4 | -159.1 | 0 | 0 | 120.3 | ||||
| 21 | S | 36.7 | Very low | 38 | Very low | 102 Ų | 102 | 152.5 Ų | 152.5 | 71% | 0.713 | 80% | 0.798 | S | S | * | * | 135.2 | 131.8 | 110.1 | 68.2 | 0 | 0 | 0 | 0 | 115 | |||||
| 22 | T | 39.5 | Very low | 38.4 | Very low | 135 Ų | 135 | 152.4 Ų | 152.4 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | trans | 73.3 | 125.4 | 153.1 | 61.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 23 | G | 32.5 | Very low | 39.1 | Very low | 68 Ų | 68 | 153 Ų | 153 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -85.8 | 155.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 24 | W | 32.5 | Very low | 39.5 | Very low | 245 Ų | 245 | 152.9 Ų | 152.9 | 93% | 0.928 | 77% | 0.766 | S | S | * | * | trans | -147.2 | 108.6 | 161.6 | -92.2 | 85.9 | 0 | 0 | 0 | 110.4 | ||||
| 25 | R | 39.3 | Very low | 39.7 | Very low | 214 Ų | 214 | 151.4 Ų | 151.4 | 81% | 0.808 | 76% | 0.759 | S | S | * | * | trans | 3.6 | 128.6 | 153.5 | -70.1 | 178.6 | 175.8 | -156.1 | -0.5 | 121 | D27 | R25-D27 VanDerWaalsContact C-N 3.28Å; R25-D27 PolarHBondContact O-N 2.91Å | ||
| 26 | S | 38.8 | Very low | 40.2 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 74% | 0.741 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -37.6 | 19.2 | 161.9 | -168.2 | 0 | 0 | 0 | 0 | 121.8 | ||
| 27 | D | 45.1 | Very low | 40.3 | Very low | 121 Ų | 121 | 146.5 Ų | 146.5 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -6.6 | -173.6 | -70.2 | -38.7 | 0 | 0 | 0 | 116 | R25 | R25-D27 VanDerWaalsContact C-N 3.28Å; R25-D27 PolarHBondContact O-N 2.91Å |
| 28 | K | 46.4 | Very low | 40.3 | Very low | 195 Ų | 195 | 148.2 Ų | 148.2 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -94 | -17.4 | -179.3 | -78.9 | -175.7 | 177.1 | 179.2 | 0 | 115.7 | ||
| 29 | L | 37.7 | Very low | 40.3 | Very low | 141 Ų | 141 | 150.3 Ų | 150.3 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -20.6 | -179 | -151.6 | 70.4 | 0 | 0 | 0 | 113.3 | ||
| 30 | K | 44.7 | Very low | 40.3 | Very low | 171 Ų | 171 | 150.6 Ų | 150.6 | 74% | 0.743 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -15.4 | 178 | -76.1 | -175.9 | 176.2 | 179.9 | 0 | 114.7 | ||
| 31 | K | 47.6 | Very low | 40.3 | Very low | 161 Ų | 161 | 151.4 Ų | 151.4 | 70% | 0.7 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -28.8 | 174.9 | -90.7 | -177.9 | 173.8 | 179.8 | 0 | 113.8 | I33 N34 | K31-I33 VanDerWaalsContact C-N 3.25Å; K31-I33 PolarHBondContact O-N 3.49Å; K31-N34 PolarHBondContact O-N 3.28Å |
| 32 | S | 42.6 | Very low | 40.1 | Very low | 79 Ų | 79 | 157 Ų | 157 | 55% | 0.552 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -13.4 | -179.9 | -167.9 | 0 | 0 | 0 | 0 | 114.4 | ||
| 33 | I | 47.8 | Very low | 39.8 | Very low | 122 Ų | 122 | 156.6 Ų | 156.6 | 63% | 0.626 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -22.3 | -179.4 | -66.7 | 174.9 | 0 | 0 | 0 | 112.1 | K31 | K31-I33 VanDerWaalsContact C-N 3.25Å; K31-I33 PolarHBondContact O-N 3.49Å |
| 34 | N | 42.9 | Very low | 39.9 | Very low | 125 Ų | 125 | 158.7 Ų | 158.7 | 67% | 0.668 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -16.2 | 176.6 | -95.6 | -20.6 | 0 | 0 | 0 | 114.4 | K31 | K31-N34 PolarHBondContact O-N 3.28Š|
| 35 | E | 44.6 | Very low | 39.9 | Very low | 156 Ų | 156 | 157.1 Ų | 157.1 | 73% | 0.729 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -80.2 | -16.6 | -179.1 | -143.6 | 90.9 | -150.8 | 0 | 0 | 113.5 | ||
| 36 | K | 45.1 | Very low | 39.7 | Very low | 189 Ų | 189 | 154.3 Ų | 154.3 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -89.8 | 2.5 | 176.8 | -77.8 | -170.1 | 176.4 | -175.7 | 0 | 114.6 | ||
| 37 | L | 36.2 | Very low | 39.6 | Very low | 138 Ų | 138 | 158.6 Ų | 158.6 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -102.1 | 12.4 | 179.5 | -82.7 | 166.7 | 0 | 0 | 0 | 114.8 | ||
| 38 | R | 37.6 | Very low | 39 | Very low | 228 Ų | 228 | 159 Ų | 159 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -139.3 | 76.2 | 176.2 | -78 | -174.5 | 172.4 | 172.9 | -2.1 | 112.7 | ||||
| 39 | V | 36.9 | Very low | 38.4 | Very low | 122 Ų | 122 | 158.5 Ų | 158.5 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | trans | -136 | 106.1 | 160.2 | -175.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 40 | K | 36.1 | Very low | 38.4 | Very low | 187 Ų | 187 | 159.4 Ų | 159.4 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | 65.1 | 90 | 149.9 | -67.5 | 174.9 | 176.7 | 174.5 | 0 | 118.5 | R42 | K40-R42 PolarHBondContact O-N 3.28Š| ||
| 41 | N | 35.5 | Very low | 37.8 | Very low | 175 Ų | 175 | 162.3 Ų | 162.3 | 94% | 0.936 | 78% | 0.783 | S | S | * | * | trans | -59.1 | 115.4 | 136.6 | -78.9 | -27.6 | 0 | 0 | 0 | 109.6 | ||||
| 42 | R | 33.6 | Very low | 37.2 | Very low | 219 Ų | 219 | 163.8 Ų | 163.8 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | -143.7 | 128.4 | 157 | -125.9 | -173.5 | -158 | -156.9 | 4.7 | 107.6 | K40 V44 | K40-R42 PolarHBondContact O-N 3.28Å; R42-V44 PolarHBondContact O-N 3.23Å | ||
| 43 | P | 32 | Very low | 36.8 | Very low | 126 Ų | 126 | 169.5 Ų | 169.5 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -77.7 | 126.4 | 179.9 | 31.8 | -29.8 | 0 | 0 | 0 | 108.5 | ||||
| 44 | V | 35.8 | Very low | 36.4 | Very low | 112 Ų | 112 | 173.3 Ų | 173.3 | 68% | 0.679 | 82% | 0.822 | S | S | * | * | trans | -115 | 109.5 | 169.8 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | R42 L46 | R42-V44 PolarHBondContact O-N 3.23Å; V44-L46 HydrophobicContact CG1-CD1 4.14Å; V44-L46 HydrophobicContact CG1-CG 3.95Å; V44-L46 PolarHBondContact O-N 3Å | ||
| 45 | F | 31.9 | Very low | 36.1 | Very low | 212 Ų | 212 | 173.8 Ų | 173.8 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | trans | -66.7 | 113 | 162.3 | -101.5 | -93.7 | 0 | 0 | 0 | 108.1 | ||||
| 46 | L | 35.4 | Very low | 35.9 | Very low | 155 Ų | 155 | 171.1 Ų | 171.1 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -115.7 | 127.7 | 165.8 | -84 | 162.3 | 0 | 0 | 0 | 109 | V44 | V44-L46 HydrophobicContact CG1-CD1 4.14Å; V44-L46 HydrophobicContact CG1-CG 3.95Å; V44-L46 PolarHBondContact O-N 3Å | ||
| 47 | K | 36.3 | Very low | 35.7 | Very low | 197 Ų | 197 | 168.1 Ų | 168.1 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 152.7 | 177.6 | -79.1 | 175.8 | 173.7 | 177.2 | 0 | 111.7 | H49 | K47-H49 PolarHBondContact O-N 3.15Š|
| 48 | P | 32.6 | Very low | 35.7 | Very low | 130 Ų | 130 | 169.1 Ų | 169.1 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 121.9 | -178.2 | 29.3 | -31.7 | 0 | 0 | 0 | 110.4 | ||
| 49 | H | 34.3 | Very low | 35.9 | Very low | 183 Ų | 183 | 166.1 Ų | 166.1 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -99.2 | 116.2 | 167.7 | -160 | -72 | 0 | 0 | 0 | 108.8 | K47 | K47-H49 PolarHBondContact O-N 3.15Š|
| 50 | M | 36.5 | Very low | 35.7 | Very low | 161 Ų | 161 | 170.1 Ų | 170.1 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68 | 149.1 | 170.5 | -80.2 | -87.2 | -172.9 | 0 | 0 | 111.1 | ||
| 51 | R | 32.8 | Very low | 35.4 | Very low | 232 Ų | 232 | 169.3 Ų | 169.3 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | trans | 66.2 | 104.4 | 160.7 | -72.2 | -179.3 | 173.2 | -178.7 | -2.4 | 118.6 | ||||
| 52 | E | 34.7 | Very low | 35.1 | Very low | 192 Ų | 192 | 167.9 Ų | 167.9 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | -157.4 | 103.4 | 107.3 | -125.5 | 177.4 | -175.1 | 0 | 0 | 108.1 | K54 | E52-K54 PolarHBondContact O-N 3.37Å; E52-K54 VanDerWaalsContact O-N 3.15Å | |||
| 53 | E | 34.1 | Very low | 34.7 | Very low | 198 Ų | 198 | 162.1 Ų | 162.1 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -68.7 | 105.4 | 170.9 | -81.8 | -179.9 | 144.9 | 0 | 0 | 108.5 | E55 | E53-E55 PolarHBondContact O-N 3.49Š| ||
| 54 | K | 40.3 | Very low | 34.5 | Very low | 202 Ų | 202 | 162.5 Ų | 162.5 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | -73.2 | 108 | 159.9 | -94.5 | -178.5 | 175.7 | 176.1 | 0 | 108 | E52 | E52-K54 PolarHBondContact O-N 3.37Å; E52-K54 VanDerWaalsContact O-N 3.15Å | ||
| 55 | E | 35.6 | Very low | 34.2 | Very low | 135 Ų | 135 | 164.7 Ų | 164.7 | 63% | 0.631 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 127.6 | 174.5 | -136.1 | -173.3 | 179.3 | 0 | 0 | 110.1 | E53 K58 | E53-E55 PolarHBondContact O-N 3.49Å; E55-K58 WeakPolarHBondContact OE1-CE 3.37Å; E55-K58 IonicContact OE1-NZ 3.8Å; E55-K58 PolarHBondContact OE1-NZ 3.18Å; E55-K58 WeakPolarHBondContact OE2-CE 3.1Å; E55-K58 IonicContact OE2-NZ 2.96Å; E55-K58 PolarHBondContact OE2-NZ 3.36Å |
| 56 | P | 41.6 | Very low | 33.8 | Very low | 101 Ų | 101 | 162.4 Ų | 162.4 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 151.2 | 169.8 | 26.9 | -32.3 | 0 | 0 | 0 | 109.3 | K58 | P56-K58 PolarHBondContact O-N 3.49Š|
| 57 | P | 39.4 | Very low | 33.3 | Very low | 126 Ų | 126 | 166.1 Ų | 166.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -55 | 121.7 | -179.9 | 22.1 | -31.4 | 0 | 0 | 0 | 109.6 | R59 | P57-R59 PolarHBondContact O-N 3.06Š|
| 58 | K | 37 | Very low | 32.9 | Very low | 159 Ų | 159 | 165.9 Ų | 165.9 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | trans | -54.7 | 103.2 | -178.9 | -70.2 | 179 | -179.3 | 173.1 | 0 | 109.4 | E55 P56 K60 | E55-K58 WeakPolarHBondContact OE1-CE 3.37Å; E55-K58 IonicContact OE1-NZ 3.8Å; E55-K58 PolarHBondContact OE1-NZ 3.18Å; E55-K58 WeakPolarHBondContact OE2-CE 3.1Å; E55-K58 IonicContact OE2-NZ 2.96Å; E55-K58 PolarHBondContact OE2-NZ 3.36Å; P56-K58 PolarHBondContact O-N 3.49Å; K58-K60 PolarHBondContact O-N 2.91Å | ||
| 59 | R | 40.7 | Very low | 32.6 | Very low | 165 Ų | 165 | 170.6 Ų | 170.6 | 62% | 0.623 | 80% | 0.801 | S | S | * | * | trans | -56.5 | 113.4 | 167.2 | -92.3 | -178.5 | 168.5 | 173.9 | -4.4 | 107.2 | P57 K61 D313 | P57-R59 PolarHBondContact O-N 3.06Å; R59-K61 HydrophobicContact CB-CG 4.41Å; R59-K61 PolarHBondContact O-N 3.06Å; R59-D313 IonicContact NH2-OD1 2.99Å | ||
| 60 | K | 33 | Very low | 32.2 | Very low | 206 Ų | 206 | 167.2 Ų | 167.2 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | trans | -66.2 | 81.3 | 151.9 | -74.2 | -175.4 | 179.4 | 179.3 | 0 | 106.3 | K58 L62 | K58-K60 PolarHBondContact O-N 2.91Å; K60-L62 VanDerWaalsContact C-N 3.32Å; K60-L62 PolarHBondContact O-N 3.16Å | ||
| 61 | K | 30.8 | Very low | 31.7 | Very low | 169 Ų | 169 | 171 Ų | 171 | 74% | 0.735 | 80% | 0.804 | S | S | * | * | trans | -62.8 | 102 | 163.1 | -90.5 | -176.4 | 174.3 | -179.9 | 0 | 105.5 | R59 A63 | R59-K61 HydrophobicContact CB-CG 4.41Å; R59-K61 PolarHBondContact O-N 3.06Å; K61-A63 PolarHBondContact O-N 2.74Å | ||
| 62 | L | 28 | Very low | 31.3 | Very low | 145 Ų | 145 | 164.3 Ų | 164.3 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -53.4 | 110.8 | 155.6 | -96.9 | 149.5 | 0 | 0 | 0 | 105.8 | K60 L64 | K60-L62 VanDerWaalsContact C-N 3.32Å; K60-L62 PolarHBondContact O-N 3.16Å; L62-L64 PolarHBondContact O-N 3.35Å | ||
| 63 | A | 25.5 | Very low | 30.9 | Very low | 98 Ų | 98 | 160.7 Ų | 160.7 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -68.1 | 83.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108 | K61 L65 | K61-A63 PolarHBondContact O-N 2.74Å; A63-L65 PolarHBondContact O-N 2.69Å | ||
| 64 | L | 29 | Very low | 30.4 | Very low | 134 Ų | 134 | 157.5 Ų | 157.5 | 70% | 0.702 | 78% | 0.781 | S | S | * | * | trans | -78.4 | 109.7 | 164.1 | -81.9 | 166.8 | 0 | 0 | 0 | 107.8 | L62 | L62-L64 PolarHBondContact O-N 3.35Š| ||
| 65 | L | 27.6 | Very low | 29.8 | Very low | 159 Ų | 159 | 157 Ų | 157 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | trans | -20.5 | 131.3 | 166.3 | -76 | 147.2 | 0 | 0 | 0 | 113.9 | A63 W67 | A63-L65 PolarHBondContact O-N 2.69Å; L65-W67 PolarHBondContact O-N 2.96Å | ||
| 66 | N | 24.2 | Very low | 29.3 | Very low | 163 Ų | 163 | 155.6 Ų | 155.6 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -34 | 91.8 | 169.3 | -81.3 | -46.5 | 0 | 0 | 0 | 113.6 | K68 | N66-K68 PolarHBondContact O-N 3.27Å; N66-K68 VanDerWaalsContact O-N 3.14Å | ||
| 67 | W | 25.1 | Very low | 28.7 | Very low | 234 Ų | 234 | 156.9 Ų | 156.9 | 89% | 0.886 | 79% | 0.788 | S | S | * | * | trans | -83.8 | 85.7 | 163.4 | -154.5 | -73.4 | 0 | 0 | 0 | 108.6 | L65 R69 | L65-W67 PolarHBondContact O-N 2.96Å; W67-R69 PolarHBondContact O-N 3.36Å | ||
| 68 | K | 27.9 | Very low | 28.3 | Very low | 192 Ų | 192 | 156.9 Ų | 156.9 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | -62.4 | 101.1 | 162.2 | -88 | -175.6 | 176.9 | 177.9 | 0 | 107.5 | N66 S70 | N66-K68 PolarHBondContact O-N 3.27Å; N66-K68 VanDerWaalsContact O-N 3.14Å; K68-S70 PolarHBondContact O-N 3.48Å | ||
| 69 | R | 26.9 | Very low | 27.8 | Very low | 229 Ų | 229 | 153.8 Ų | 153.8 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -61.5 | 102.8 | 172.4 | -157.1 | 176.7 | -167.9 | -179.2 | 4.3 | 108.1 | W67 R71 | W67-R69 PolarHBondContact O-N 3.36Å; R69-R71 PolarHBondContact O-N 3.02Å | ||
| 70 | S | 25.6 | Very low | 27.3 | Very low | 111 Ų | 111 | 152.2 Ų | 152.2 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | -64.2 | 107.5 | -179 | -153.9 | 0 | 0 | 0 | 0 | 109.8 | K68 S72 | K68-S70 PolarHBondContact O-N 3.48Å; S70-S72 PolarHBondContact O-N 2.67Å | ||
| 71 | R | 25.7 | Very low | 27 | Very low | 242 Ų | 242 | 153.9 Ų | 153.9 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | trans | -82.7 | 81 | 168.3 | -69.7 | -173 | -176.1 | -157.1 | 2.2 | 108.6 | R69 | R69-R71 PolarHBondContact O-N 3.02Š| ||
| 72 | S | 24.8 | Very low | 27.2 | Very low | 90 Ų | 90 | 150.7 Ų | 150.7 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | trans | 170.3 | 107.7 | 150.7 | 58.7 | 0 | 0 | 0 | 0 | 110.8 | S70 | S70-S72 PolarHBondContact O-N 2.67Š| ||
| 73 | C | 25.1 | Very low | 27.4 | Very low | 117 Ų | 117 | 149.7 Ų | 149.7 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -137.8 | 84 | 148.9 | -79.5 | 0 | 0 | 0 | 0 | 106.5 | F75 | C73-F75 PolarHBondContact O-N 2.91Š| ||
| 74 | V | 24.3 | Very low | 27.8 | Very low | 131 Ų | 131 | 151.8 Ų | 151.8 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -78.7 | 108.4 | 163.2 | 175.1 | 0 | 0 | 0 | 0 | 105.8 | T76 | V74-T76 HydrophobicContact CG1-CG2 4.48Š| ||
| 75 | F | 27.6 | Very low | 28 | Very low | 190 Ų | 190 | 152 Ų | 152 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | trans | -93.7 | 107.3 | 167.7 | -98.4 | -85.3 | 0 | 0 | 0 | 108.8 | C73 | C73-F75 PolarHBondContact O-N 2.91Š| ||
| 76 | T | 25 | Very low | 28.5 | Very low | 106 Ų | 106 | 150.4 Ų | 150.4 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | trans | -77.7 | 127.8 | 164.5 | 42.8 | 0 | 0 | 0 | 0 | 109.5 | V74 T78 | V74-T76 HydrophobicContact CG1-CG2 4.48Å; T76-T78 PolarHBondContact O-N 3.21Å | ||
| 77 | P | 28.9 | Very low | 29 | Very low | 128 Ų | 128 | 149.2 Ų | 149.2 | 83% | 0.831 | 80% | 0.802 | S | S | * | * | trans | -83.6 | 108 | 173.6 | 30.4 | -27.2 | 0 | 0 | 0 | 109.6 | ||||
| 78 | T | 30.7 | Very low | 29.4 | Very low | 126 Ų | 126 | 143.8 Ų | 143.8 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -79.6 | 119.7 | 167.5 | -41.2 | 0 | 0 | 0 | 0 | 108.8 | T76 | T76-T78 PolarHBondContact O-N 3.21Š| ||
| 79 | A | 27.6 | Very low | 29.7 | Very low | 95 Ų | 95 | 141.4 Ų | 141.4 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -70 | 126.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 80 | C | 29 | Very low | 29.8 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | -117 | 118.8 | 161 | -79.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 81 | R | 27.5 | Very low | 30 | Very low | 241 Ų | 241 | 140.7 Ų | 140.7 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -121.1 | 109.8 | -179.6 | -176.4 | -171.8 | -163.1 | -140.1 | 4.9 | 106.9 | ||||
| 82 | S | 35.6 | Very low | 30 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | 163.7 | 96.7 | 157.9 | 49.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 83 | T | 30.7 | Very low | 30.3 | Very low | 123 Ų | 123 | 138.2 Ų | 138.2 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | 81.6 | 119.3 | 96.2 | 50 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 84 | L | 35.4 | Very low | 30.5 | Very low | 143 Ų | 143 | 138.1 Ų | 138.1 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | trans | 87 | 106.9 | 141.7 | -67 | 157.9 | 0 | 0 | 0 | 119.7 | ||||
| 85 | N | 32.2 | Very low | 30.6 | Very low | 139 Ų | 139 | 138.2 Ų | 138.2 | 74% | 0.743 | 82% | 0.815 | S | S | * | * | 53.8 | 107 | 128.9 | -61.6 | -4.3 | 0 | 0 | 0 | 119 | |||||
| 86 | S | 37.5 | Very low | 30.7 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | 164.5 | 151.6 | 107.7 | 44.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 87 | T | 35.7 | Very low | 30.7 | Very low | 137 Ų | 137 | 139 Ų | 139 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -72.3 | 169.8 | -162 | 24.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 88 | P | 32.9 | Very low | 30.7 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | trans | -97 | 158.4 | -143.2 | 39 | -35.8 | 0 | 0 | 0 | 114.2 | ||||
| 89 | T | 35.1 | Very low | 30.4 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -134.5 | 123.4 | 164.9 | -9.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 90 | Q | 29.1 | Very low | 30.5 | Very low | 192 Ų | 192 | 148.2 Ų | 148.2 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -61.6 | 136.6 | 171 | -76 | 174.7 | -22.8 | 0 | 0 | 110.3 | ||||
| 91 | C | 28.7 | Very low | 30.4 | Very low | 132 Ų | 132 | 148.3 Ų | 148.3 | 89% | 0.892 | 81% | 0.811 | S | S | * | * | trans | -139.7 | 119.2 | 152.3 | -104.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 92 | S | 26.3 | Very low | 30.5 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | trans | -68.4 | 130 | 173.5 | 46.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 93 | L | 31.7 | Very low | 30.2 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -142.1 | 141.7 | 155.2 | -84.6 | 170 | 0 | 0 | 0 | 109.3 | ||||
| 94 | P | 28.2 | Very low | 30.3 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 134.1 | -170 | 33.8 | -31.8 | 0 | 0 | 0 | 111.1 | ||
| 95 | C | 27.1 | Very low | 30.3 | Very low | 133 Ų | 133 | 144.9 Ų | 144.9 | 90% | 0.899 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 121.8 | 170.3 | -77.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 96 | V | 30.4 | Very low | 30.3 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 79% | 0.788 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 130.2 | 173.5 | 173 | 0 | 0 | 0 | 0 | 110.9 | H98 | V96-H98 PolarHBondContact O-N 3.21Š|
| 97 | E | 25.2 | Very low | 30.1 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 117.9 | 169.1 | -76.9 | -179.3 | 138.4 | 0 | 0 | 110.8 | ||
| 98 | H | 27.9 | Very low | 29.9 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 80% | 0.801 | 79% | 0.789 | S | S | * | * | trans | -94.5 | 99.9 | 161.8 | -120.5 | -74.8 | 0 | 0 | 0 | 108.6 | V96 E100 | V96-H98 PolarHBondContact O-N 3.21Å; H98-E100 PolarHBondContact O-N 3.43Å | ||
| 99 | R | 24.1 | Very low | 29.9 | Very low | 211 Ų | 211 | 141.5 Ų | 141.5 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -85.1 | 92.7 | 175.7 | -166.3 | 179.4 | -173.1 | 176.1 | 4.9 | 109 | ||||
| 100 | E | 29.4 | Very low | 30 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | -90.5 | 105.1 | 165.7 | -81.2 | -171.2 | 163.6 | 0 | 0 | 110 | H98 N102 | H98-E100 PolarHBondContact O-N 3.43Å; E100-N102 PolarHBondContact O-N 3.02Å; E100-N102 VanDerWaalsContact O-N 3.16Å | ||
| 101 | N | 27.5 | Very low | 30.5 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | -68.9 | 97.4 | 170.5 | -73.1 | -34.3 | 0 | 0 | 0 | 110.1 | ||||
| 102 | N | 30.6 | Very low | 30.9 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 74% | 0.743 | 70% | 0.702 | S | S | * | * | trans | -96.9 | 90 | 164.9 | -83.4 | -35.8 | 0 | 0 | 0 | 110.3 | E100 L104 | E100-N102 PolarHBondContact O-N 3.02Å; E100-N102 VanDerWaalsContact O-N 3.16Å; N102-L104 PolarHBondContact O-N 2.88Å | ||
| 103 | A | 29.3 | Very low | 31.5 | Very low | 99 Ų | 99 | 124.7 Ų | 124.7 | 82% | 0.818 | 68% | 0.684 | S | S | * | * | trans | -77.8 | 47.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 104 | L | 32.9 | Very low | 31.8 | Very low | 161 Ų | 161 | 120.6 Ų | 120.6 | 84% | 0.843 | 66% | 0.657 | S | S | * | * | trans | -141.7 | 26.2 | -175.2 | -119.4 | 147.8 | 0 | 0 | 0 | 115.2 | N102 | N102-L104 PolarHBondContact O-N 2.88Š| ||
| 105 | M | 35.5 | Very low | 32.3 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 68% | 0.68 | 64% | 0.639 | S | S | * | * | trans | -127.6 | 50.2 | 176.1 | -75 | -68.4 | -128.2 | 0 | 0 | 112 | G107 Y108 | M105-G107 PolarHBondContact O-N 3.44Å; M105-Y108 HydrophobicContact CE-CD2 4.26Å; M105-Y108 HydrophobicContact CE-CE2 4.12Å; M105-Y108 HydrophobicContact SD-CD2 3.74Å; M105-Y108 HydrophobicContact SD-CE2 3.61Å | ||
| 106 | N | 30.8 | Very low | 33 | Very low | 177 Ų | 177 | 112 Ų | 112 | 95% | 0.947 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.8 | 90.3 | 167.2 | -77.1 | -5.6 | 0 | 0 | 0 | 108.6 | ||
| 107 | G | 34.2 | Very low | 33 | Very low | 62 Ų | 62 | 110.8 Ų | 110.8 | 64% | 0.639 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 171.3 | -8.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | M105 | M105-G107 PolarHBondContact O-N 3.44Š|
| 108 | Y | 30.5 | Very low | 33.6 | Very low | 116 Ų | 116 | 108 Ų | 108 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | trans | -110.3 | 105.7 | -178.3 | -65.4 | -85.4 | 0 | 0 | 0 | 111.2 | M105 T110 | M105-Y108 HydrophobicContact CE-CD2 4.26Å; M105-Y108 HydrophobicContact CE-CE2 4.12Å; M105-Y108 HydrophobicContact SD-CD2 3.74Å; M105-Y108 HydrophobicContact SD-CE2 3.61Å; Y108-T110 PolarHBondContact O-N 2.96Å | ||
| 109 | T | 33.8 | Very low | 34.2 | Very low | 96 Ų | 96 | 107.6 Ų | 107.6 | 59% | 0.589 | 59% | 0.587 | S | S | * | * | trans | -81.6 | 109.8 | 161.7 | -53.6 | 0 | 0 | 0 | 0 | 107.2 | L111 | T109-L111 HydrophobicContact CG2-CD1 4.06Å; T109-L111 PolarHBondContact O-N 2.97Å | ||
| 110 | T | 37.7 | Very low | 35.1 | Very low | 86 Ų | 86 | 106.4 Ų | 106.4 | 53% | 0.528 | 59% | 0.587 | S | S | . | * | trans | -73.6 | 96 | 176.5 | -58.3 | 0 | 0 | 0 | 0 | 108.7 | Y108 G112 T113 | Y108-T110 PolarHBondContact O-N 2.96Å; T110-G112 VanDerWaalsContact C-N 3.29Å; T110-G112 PolarHBondContact O-N 3.4Å; T110-T113 HydrophobicContact CG2-CG2 4.08Å | ||
| 111 | L | 38 | Very low | 35.6 | Very low | 52 Ų | 52 | 102.6 Ų | 102.6 | 27% | 0.272 | 57% | 0.569 | S | S | . | * | trans | -80.4 | 78.1 | 172.2 | -91.3 | 113.1 | 0 | 0 | 0 | 109.8 | T109 L127 I152 | T109-L111 HydrophobicContact CG2-CD1 4.06Å; T109-L111 PolarHBondContact O-N 2.97Å; L111-L127 HydrophobicContact CB-CB 4.16Å; L111-I152 HydrophobicContact CD2-CB 4.33Å; L111-I152 HydrophobicContact CD2-CD1 3.57Å; L111-I152 HydrophobicContact CD2-CG1 3.59Å; L111-I152 HydrophobicContact CD2-CG2 3.92Å | ||
| 112 | G | 38.3 | Very low | 36.2 | Very low | 21 Ų | 21 | 99.6 Ų | 99.6 | 22% | 0.216 | 55% | 0.55 | C | S | . | . | trans | 78.6 | 146.6 | 171 | 0 | 0 | 0 | 0 | 0 | 115.4 | T110 | T110-G112 VanDerWaalsContact C-N 3.29Å; T110-G112 PolarHBondContact O-N 3.4Å | ||
| 113 | T | 37.4 | Very low | 36.9 | Very low | 70 Ų | 70 | 94 Ų | 94 | 43% | 0.429 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 118.5 | 171 | 54.3 | 0 | 0 | 0 | 0 | 108.6 | T110 | T110-T113 HydrophobicContact CG2-CG2 4.08Å |
| 114 | Y | 39.3 | Very low | 37.8 | Very low | 79 Ų | 79 | 90 Ų | 90 | 31% | 0.31 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 145 | 173.1 | -169.5 | -90.9 | 0 | 0 | 0 | 110.7 | A116 I386 D387 | Y114-A116 HydrophobicContact CE1-CB 4.2Å; Y114-I386 HydrophobicContact CD1-CG2 4.04Å; Y114-I386 HydrophobicContact CE1-CG2 3.92Å; Y114-D387 PolarHBondContact OH-OD1 3.3Å |
| 115 | S | 38.3 | Very low | 38.6 | Very low | 50 Ų | 50 | 83.2 Ų | 83.2 | 35% | 0.35 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 91.6 | -171.5 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | S117 K122 | S115-S117 PolarHBondContact O-N 3.42Å; S115-K122 VanDerWaalsContact OG-CD 3.24Å; S115-K122 WeakPolarHBondContact OG-CD 3.45Å; S115-K122 WeakPolarHBondContact OG-CE 3.48Å; S115-K122 PolarHBondContact OG-NZ 3.33Å |
| 116 | A | 41.1 | Very low | 39.3 | Very low | 16 Ų | 16 | 81 Ų | 81 | 13% | 0.132 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 112.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109 | Y114 S390 | Y114-A116 HydrophobicContact CE1-CB 4.2Å; A116-S390 WeakPolarHBondContact CB-OG 3.48Å |
| 117 | S | 31.4 | Very low | 40.2 | Very low | 106 Ų | 106 | 74.9 Ų | 74.9 | 74% | 0.741 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 95.9 | 176.9 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | S115 | S115-S117 PolarHBondContact O-N 3.42Å |
| 118 | M | 37.1 | Very low | 41.3 | Very low | 123 Ų | 123 | 73.3 Ų | 73.3 | 61% | 0.606 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 109.6 | 164.7 | -82.6 | -80.1 | 154.2 | 0 | 0 | 108.2 | ||
| 119 | H | 40 | Very low | 42.2 | Very low | 166 Ų | 166 | 71 Ų | 71 | 77% | 0.769 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 98.8 | 172.5 | -68.3 | -71.3 | 0 | 0 | 0 | 118 | E121 | H119-E121 PolarHBondContact O-N 3.42Š|
| 120 | K | 44.6 | Very low | 43.1 | Very low | 186 Ų | 186 | 72.4 Ų | 72.4 | 81% | 0.809 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | -4.9 | 162.9 | -69.9 | -171.4 | 177.9 | -176.5 | 0 | 119.1 | ||
| 121 | E | 38.9 | Very low | 43.7 | Very low | 78 Ų | 78 | 70.2 Ų | 70.2 | 36% | 0.364 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 128.1 | 178.2 | -63 | -175 | 147.8 | 0 | 0 | 109 | H119 R212 | H119-E121 PolarHBondContact O-N 3.42Å; E121-R212 IonicContact OE1-CZ 4Å; E121-R212 IonicContact OE1-NE 3.64Å; E121-R212 IonicContact OE1-NH2 3.93Å; E121-R212 PolarHBondContact OE1-NH2 3.14Å; E121-R212 VanDerWaalsContact OE1-NH2 3.09Å; E121-R212 IonicContact OE2-CZ 3.55Å; E121-R212 IonicContact OE2-NE 3.89Å; E121-R212 IonicContact OE2-NH2 2.63Å; E121-R212 PolarHBondContact OE2-NH2 3.34Å |
| 122 | K | 40.4 | Very low | 44.4 | Very low | 71 Ų | 71 | 68.9 Ų | 68.9 | 31% | 0.309 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 119 | 178.2 | 179.2 | 172.2 | 163.6 | 157.7 | 0 | 108.2 | S115 V124 | S115-K122 VanDerWaalsContact OG-CD 3.24Å; S115-K122 WeakPolarHBondContact OG-CD 3.45Å; S115-K122 WeakPolarHBondContact OG-CE 3.48Å; S115-K122 PolarHBondContact OG-NZ 3.33Å; K122-V124 HydrophobicContact CD-CG2 4.26Å; K122-V124 HydrophobicContact CG-CG2 3.97Å; K122-V124 PolarHBondContact O-N 3.23Å |
| 123 | L | 44.6 | Very low | 45 | Very low | 21 Ų | 21 | 68.4 Ų | 68.4 | 11% | 0.11 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 117.3 | 166.8 | -177.1 | 70.3 | 0 | 0 | 0 | 107.6 | L125 W137 Y357 | L123-L125 HydrophobicContact CD1-CD2 4.37Å; L123-L125 HydrophobicContact CD2-CD1 4.43Å; L123-L125 HydrophobicContact CD2-CD2 4.19Å; L123-L125 HydrophobicContact CD2-CG 4.26Å; L123-L125 HydrophobicContact CG-CD2 4.15Å; L123-L125 HydrophobicContact CG-CG 4.25Å; L123-W137 HydrophobicContact CD1-CH2 3.96Å; L123-W137 HydrophobicContact CD1-CZ2 3.85Å; L123-W137 HydrophobicContact CD1-CZ3 4.33Å; L123-Y357 HydrophobicContact CD1-CD2 4.49Å; L123-Y357 HydrophobicContact CD1-CE2 4.38Å; L123-Y357 HydrophobicContact CD2-CD2 4.12Å; L123-Y357 HydrophobicContact CD2-CE2 4.12Å |
| 124 | V | 49.4 | Very low | 45.5 | Very low | 14 Ų | 14 | 67.7 Ų | 67.7 | 9% | 0.085 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 118.1 | 172.2 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | K122 R126 C136 | K122-V124 HydrophobicContact CD-CG2 4.26Å; K122-V124 HydrophobicContact CG-CG2 3.97Å; K122-V124 PolarHBondContact O-N 3.23Å; V124-R126 HydrophobicContact CG1-CG 4.22Å; V124-C136 PolarHBondContact N-O 2.83Å; V124-C136 PolarHBondContact O-N 3.09Å; V124-C136 VanDerWaalsContact O-N 3.1Å |
| 125 | L | 50 | Low | 45.7 | Very low | 19 Ų | 19 | 65.9 Ų | 65.9 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 117.1 | 171.1 | -59.8 | 176.4 | 0 | 0 | 0 | 107.2 | L123 F133 T135 I386 | L123-L125 HydrophobicContact CD1-CD2 4.37Å; L123-L125 HydrophobicContact CD2-CD1 4.43Å; L123-L125 HydrophobicContact CD2-CD2 4.19Å; L123-L125 HydrophobicContact CD2-CG 4.26Å; L123-L125 HydrophobicContact CG-CD2 4.15Å; L123-L125 HydrophobicContact CG-CG 4.25Å; L125-F133 HydrophobicContact CB-CD1 3.65Å; L125-F133 HydrophobicContact CB-CE1 3.61Å; L125-F133 HydrophobicContact CD1-CE1 4.18Å; L125-F133 HydrophobicContact CD1-CZ 4.47Å; L125-F133 HydrophobicContact CG-CD1 4.47Å; L125-F133 HydrophobicContact CG-CE1 4.44Å; L125-T135 HydrophobicContact CD2-CG2 3.4Å; L125-T135 VanDerWaalsContact CD2-CG2 3.4Å; L125-I386 HydrophobicContact CD1-CD1 3.33Å; L125-I386 HydrophobicContact CD1-CG1 4.15Å; L125-I386 HydrophobicContact CD1-CG2 4.44Å |
| 126 | R | 50.3 | Low | 46 | Very low | 92 Ų | 92 | 65.2 Ų | 65.2 | 35% | 0.347 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 139.4 | 173.2 | -76.7 | -175.6 | 177.4 | 159.4 | -0.1 | 109.2 | V124 F133 E134 | V124-R126 HydrophobicContact CG1-CG 4.22Å; R126-F133 CarbonylContact O-C 3.57Å; R126-F133 VanDerWaalsContact O-CA 3.3Å; R126-F133 WeakPolarHBondContact O-CA 3.48Å; R126-E134 HydrophobicContact CB-CB 4.43Å; R126-E134 PolarHBondContact N-O 2.98Å; R126-E134 PolarHBondContact O-N 3.11Å |
| 127 | L | 49.1 | Very low | 46 | Very low | 49 Ų | 49 | 69.3 Ų | 69.3 | 26% | 0.257 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 127 | 169.2 | -71.8 | 156.7 | 0 | 0 | 0 | 108.3 | L111 N132 F133 W379 | L111-L127 HydrophobicContact CB-CB 4.16Å; L127-N132 WeakPolarHBondContact CA-O 3.17Å; L127-F133 HydrophobicContact CD2-CD1 4.04Å; L127-F133 HydrophobicContact CD2-CE1 3.89Å; L127-F133 HydrophobicContact CD2-CG 4.44Å; L127-F133 HydrophobicContact CD2-CZ 4.17Å; L127-F133 HydrophobicContact CG-CD1 4.25Å; L127-F133 HydrophobicContact CG-CE1 3.98Å; L127-W379 HydrophobicContact CD2-CH2 4.34Å; L127-W379 HydrophobicContact CD2-CZ3 4.39Å |
| 128 | D | 57.3 | Low | 46.2 | Very low | 29 Ų | 29 | 70.5 Ų | 70.5 | 16% | 0.155 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -75.5 | 172.7 | 167.7 | 78.8 | 3.2 | 0 | 0 | 0 | 111 | N130 S131 N132 | D128-N130 PolarHBondContact O-N 3.48Å; D128-N130 WeakPolarHBondContact OD1-CA 3.06Å; D128-N130 WeakPolarHBondContact OD1-CB 3.26Å; D128-N130 PolarHBondContact OD1-N 2.9Å; D128-S131 PolarHBondContact O-N 2.87Å; D128-S131 PolarHBondContact OD1-N 2.89Å; D128-N132 PolarHBondContact N-O 3.17Å; D128-N132 PolarHBondContact OD1-N 3.22Å; D128-N132 PolarHBondContact OD1-ND2 3.01Å; D128-N132 PolarHBondContact OD2-ND2 3.13Å |
| 129 | A | 49 | Very low | 46 | Very low | 68 Ų | 68 | 69.8 Ų | 69.8 | 56% | 0.562 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 130 | N | 52.6 | Low | 45.7 | Very low | 124 Ų | 124 | 69.1 Ų | 69.1 | 66% | 0.663 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 9.3 | 176.4 | -55.8 | -55.2 | 0 | 0 | 0 | 112.3 | D128 N132 | D128-N130 PolarHBondContact O-N 3.48Å; D128-N130 WeakPolarHBondContact OD1-CA 3.06Å; D128-N130 WeakPolarHBondContact OD1-CB 3.26Å; D128-N130 PolarHBondContact OD1-N 2.9Å; N130-N132 VanDerWaalsContact C-N 3.26Å; N130-N132 WeakPolarHBondContact CB-ND2 3.32Å; N130-N132 PolarHBondContact O-N 3.48Å |
| 131 | S | 51.2 | Low | 45 | Very low | 41 Ų | 41 | 66.3 Ų | 66.3 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | S | Bend | trans | 60.6 | 28.5 | -174.6 | -47.4 | 0 | 0 | 0 | 0 | 114.2 | D128 W379 | D128-S131 PolarHBondContact O-N 2.87Å; D128-S131 PolarHBondContact OD1-N 2.89Å; S131-W379 WeakPolarHBondContact O-CH2 3.37Å; S131-W379 WeakPolarHBondContact O-CZ2 3.5Å |
| 132 | N | 51.6 | Low | 44.6 | Very low | 24 Ų | 24 | 68.5 Ų | 68.5 | 13% | 0.128 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -87.7 | 141.6 | 167.7 | -53.4 | -58.3 | 0 | 0 | 0 | 109.5 | L127 D128 N130 | L127-N132 WeakPolarHBondContact CA-O 3.17Å; D128-N132 PolarHBondContact N-O 3.17Å; D128-N132 PolarHBondContact OD1-N 3.22Å; D128-N132 PolarHBondContact OD1-ND2 3.01Å; D128-N132 PolarHBondContact OD2-ND2 3.13Å; N130-N132 VanDerWaalsContact C-N 3.26Å; N130-N132 WeakPolarHBondContact CB-ND2 3.32Å; N130-N132 PolarHBondContact O-N 3.48Å |
| 133 | F | 52.4 | Low | 44.1 | Very low | 11 Ų | 11 | 70 Ų | 70 | 5% | 0.048 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 130.2 | 169.6 | -81.4 | -63.6 | 0 | 0 | 0 | 111.1 | L125 R126 L127 Y352 S363 W379 | L125-F133 HydrophobicContact CB-CD1 3.65Å; L125-F133 HydrophobicContact CB-CE1 3.61Å; L125-F133 HydrophobicContact CD1-CE1 4.18Å; L125-F133 HydrophobicContact CD1-CZ 4.47Å; L125-F133 HydrophobicContact CG-CD1 4.47Å; L125-F133 HydrophobicContact CG-CE1 4.44Å; R126-F133 CarbonylContact O-C 3.57Å; R126-F133 VanDerWaalsContact O-CA 3.3Å; R126-F133 WeakPolarHBondContact O-CA 3.48Å; L127-F133 HydrophobicContact CD2-CD1 4.04Å; L127-F133 HydrophobicContact CD2-CE1 3.89Å; L127-F133 HydrophobicContact CD2-CG 4.44Å; L127-F133 HydrophobicContact CD2-CZ 4.17Å; L127-F133 HydrophobicContact CG-CD1 4.25Å; L127-F133 HydrophobicContact CG-CE1 3.98Å; F133-Y352 AromaticContact CD2-CE1 3.55Å; F133-Y352 HydrophobicContact CD2-CE1 3.55Å; F133-Y352 AromaticContact CD2-CZ 3.88Å; F133-Y352 WeakPolarHBondContact CD2-OH 3.3Å; F133-Y352 AromaticContact CE2-CE1 3.89Å; F133-Y352 HydrophobicContact CE2-CE1 3.89Å; F133-S363 WeakPolarHBondContact O-CB 3.44Å; F133-W379 HydrophobicContact CD2-CH2 4.47Å; F133-W379 AromaticContact CD2-CZ3 3.87Å; F133-W379 HydrophobicContact CD2-CZ3 3.87Å; F133-W379 HydrophobicContact CE2-CE3 4.01Å; F133-W379 HydrophobicContact CE2-CH2 4.37Å; F133-W379 AromaticContact CE2-CZ3 3.4Å; F133-W379 HydrophobicContact CE2-CZ3 3.4Å; F133-W379 HydrophobicContact CZ-CE3 4.4Å; F133-W379 HydrophobicContact CZ-CZ3 4.12Å |
| 134 | E | 46.5 | Very low | 43.5 | Very low | 55 Ų | 55 | 74.9 Ų | 74.9 | 26% | 0.257 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.2 | 153.4 | -70.9 | -173.2 | 164.6 | 0 | 0 | 108.4 | R126 | R126-E134 HydrophobicContact CB-CB 4.43Å; R126-E134 PolarHBondContact N-O 2.98Å; R126-E134 PolarHBondContact O-N 3.11Å |
| 135 | T | 44.5 | Very low | 42.7 | Very low | 40 Ų | 40 | 82 Ų | 82 | 25% | 0.245 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 122 | 173.8 | 63.6 | 0 | 0 | 0 | 0 | 109.7 | L125 A356 | L125-T135 HydrophobicContact CD2-CG2 3.4Å; L125-T135 VanDerWaalsContact CD2-CG2 3.4Å; T135-A356 HydrophobicContact CG2-CB 4.48Å; T135-A356 WeakPolarHBondContact CG2-O 3.45Å |
| 136 | C | 43.3 | Very low | 41.6 | Very low | 37 Ų | 37 | 89.1 Ų | 89.1 | 25% | 0.25 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.6 | 176.1 | -77.1 | 0 | 0 | 0 | 0 | 110.3 | V124 Y138 | V124-C136 PolarHBondContact N-O 2.83Å; V124-C136 PolarHBondContact O-N 3.09Å; V124-C136 VanDerWaalsContact O-N 3.1Å; C136-Y138 HydrophobicContact CB-CD2 4.21Å; C136-Y138 HydrophobicContact CB-CE2 3.88Å |
| 137 | W | 42.5 | Very low | 40.5 | Very low | 102 Ų | 102 | 89.5 Ų | 89.5 | 39% | 0.386 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 114.1 | 173.8 | -66.9 | 93.2 | 0 | 0 | 0 | 109.6 | L123 R212 Y357 | L123-W137 HydrophobicContact CD1-CH2 3.96Å; L123-W137 HydrophobicContact CD1-CZ2 3.85Å; L123-W137 HydrophobicContact CD1-CZ3 4.33Å; W137-R212 VanDerWaalsContact CZ3-NH2 3.34Å; W137-Y357 AromaticContact CH2-CE2 3.91Å; W137-Y357 HydrophobicContact CH2-CE2 3.91Å; W137-Y357 AromaticContact CH2-CZ 3.98Å; W137-Y357 AromaticContact CZ2-CE2 3.97Å; W137-Y357 HydrophobicContact CZ2-CE2 3.97Å |
| 138 | Y | 35.8 | Very low | 39.4 | Very low | 130 Ų | 130 | 92.1 Ų | 92.1 | 51% | 0.51 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 126.3 | 173 | -79.3 | -86.2 | 0 | 0 | 0 | 110.8 | C136 | C136-Y138 HydrophobicContact CB-CD2 4.21Å; C136-Y138 HydrophobicContact CB-CE2 3.88Å |
| 139 | P | 33 | Very low | 38 | Very low | 109 Ų | 109 | 98.4 Ų | 98.4 | 71% | 0.708 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -66.2 | 134.3 | 159.3 | -6.1 | 21.6 | 0 | 0 | 0 | 108.6 | V141 | P139-V141 PolarHBondContact O-N 3.17Å; P139-V141 VanDerWaalsContact O-N 3.07Å |
| 140 | Q | 33.7 | Very low | 36.9 | Very low | 151 Ų | 151 | 102.2 Ų | 102.2 | 71% | 0.706 | 56% | 0.563 | S | S | * | * | trans | -59.8 | 112.1 | -177.4 | -122.5 | -173.7 | 0.5 | 0 | 0 | 111.8 | ||||
| 141 | V | 28.7 | Very low | 35.7 | Very low | 128 Ų | 128 | 105.5 Ų | 105.5 | 78% | 0.776 | 57% | 0.574 | S | S | * | * | trans | -133.6 | 100.3 | 154.9 | -175 | 0 | 0 | 0 | 0 | 106.8 | P139 | P139-V141 PolarHBondContact O-N 3.17Å; P139-V141 VanDerWaalsContact O-N 3.07Å | ||
| 142 | V | 31.6 | Very low | 34.5 | Very low | 124 Ų | 124 | 109.2 Ų | 109.2 | 75% | 0.752 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 83.5 | 117 | 157.1 | -170.7 | 0 | 0 | 0 | 0 | 119.4 | ||
| 143 | S | 30.5 | Very low | 33.4 | Very low | 103 Ų | 103 | 112.3 Ų | 112.3 | 72% | 0.72 | 62% | 0.619 | S | S | * | * | trans | 55.6 | 133.7 | 151 | -51.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 144 | P | 31.2 | Very low | 32.3 | Very low | 122 Ų | 122 | 119.6 Ų | 119.6 | 79% | 0.792 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 131.7 | 175.1 | 33.4 | -28.6 | 0 | 0 | 0 | 111.5 | ||
| 145 | L | 32.9 | Very low | 31.4 | Very low | 165 Ų | 165 | 124 Ų | 124 | 86% | 0.864 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 125.9 | 162.8 | -88.7 | 158.9 | 0 | 0 | 0 | 108.5 | ||
| 146 | D | 26.9 | Very low | 30.8 | Very low | 168 Ų | 168 | 127.7 Ų | 127.7 | 90% | 0.898 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 138.1 | 167.4 | -75.1 | -48 | 0 | 0 | 0 | 110.6 | ||
| 147 | V | 26.5 | Very low | 30.1 | Very low | 99 Ų | 99 | 134.5 Ų | 134.5 | 60% | 0.6 | 72% | 0.717 | S | S | * | * | trans | -129.9 | 115.6 | 172.1 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 148 | S | 26.6 | Very low | 29.8 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -76.8 | 132 | 168.3 | 156.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 149 | F | 26.6 | Very low | 29.4 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | trans | -84.4 | 107.3 | 173.5 | -97.5 | -95.7 | 0 | 0 | 0 | 110.4 | ||||
| 150 | N | 26.2 | Very low | 29.6 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | -161.8 | 89.6 | 159.2 | -97.2 | -16 | 0 | 0 | 0 | 108 | ||||
| 151 | E | 27.1 | Very low | 29.7 | Very low | 193 Ų | 193 | 134.1 Ų | 134.1 | 90% | 0.902 | 76% | 0.755 | S | S | * | * | trans | 163.8 | 102.7 | 152.3 | -98.1 | 175.4 | 158 | 0 | 0 | 109.2 | ||||
| 152 | I | 27.7 | Very low | 30.1 | Very low | 119 Ų | 119 | 133 Ų | 133 | 61% | 0.61 | 75% | 0.753 | S | S | * | * | trans | -127.3 | 93 | 157 | -58.3 | -179.1 | 0 | 0 | 0 | 106.1 | L111 | L111-I152 HydrophobicContact CD2-CB 4.33Å; L111-I152 HydrophobicContact CD2-CD1 3.57Å; L111-I152 HydrophobicContact CD2-CG1 3.59Å; L111-I152 HydrophobicContact CD2-CG2 3.92Å | ||
| 153 | A | 27.9 | Very low | 30.4 | Very low | 90 Ų | 90 | 135.6 Ų | 135.6 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | trans | -82.3 | 123.1 | 166 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 154 | Y | 29.3 | Very low | 30.6 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | trans | -65.3 | 132.8 | 170.8 | -118.6 | -102.8 | 0 | 0 | 0 | 109.9 | D156 R375 | Y154-D156 HydrophobicContact CD1-CB 4.37Å; Y154-R375 PolarHBondContact OH-NH2 3.1Å | ||
| 155 | I | 28.1 | Very low | 30.9 | Very low | 147 Ų | 147 | 138.7 Ų | 138.7 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -123.1 | 98.6 | 156.1 | -60.1 | 178.6 | 0 | 0 | 0 | 106.6 | Q157 | I155-Q157 HydrophobicContact CG2-CG 4.05Š| ||
| 156 | D | 31.9 | Very low | 30.9 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 63% | 0.631 | 76% | 0.757 | S | S | * | * | trans | -104.3 | 109.2 | 157.7 | -166.7 | -7 | 0 | 0 | 0 | 105.9 | Y154 S158 | Y154-D156 HydrophobicContact CD1-CB 4.37Å; D156-S158 PolarHBondContact OD1-OG 3.49Å | ||
| 157 | Q | 28.6 | Very low | 31.2 | Very low | 180 Ų | 180 | 133.3 Ų | 133.3 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | trans | -93.9 | 98.1 | 167.8 | -78.7 | -176.3 | 2.4 | 0 | 0 | 107.1 | I155 | I155-Q157 HydrophobicContact CG2-CG 4.05Š| ||
| 158 | S | 34.4 | Very low | 31.8 | Very low | 87 Ų | 87 | 137.6 Ų | 137.6 | 61% | 0.608 | 76% | 0.761 | S | S | * | * | trans | -134.4 | 129.5 | 157.6 | 32.2 | 0 | 0 | 0 | 0 | 109.2 | D156 | D156-S158 PolarHBondContact OD1-OG 3.49Š| ||
| 159 | D | 28.9 | Very low | 32.2 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 92% | 0.92 | 77% | 0.767 | S | S | * | * | trans | -54.2 | 124.7 | -169.9 | -61.8 | -61.8 | 0 | 0 | 0 | 114.2 | ||||
| 160 | S | 37 | Very low | 32.4 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -158.9 | 127.3 | 147.8 | 59 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 161 | S | 34.9 | Very low | 32.9 | Very low | 110 Ų | 110 | 138.6 Ų | 138.6 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -55.8 | 158.8 | 178.3 | 48.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 162 | S | 38.2 | Very low | 33.3 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 102.1 | 111.2 | 147.2 | 79.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 163 | E | 37.5 | Very low | 33.4 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 85.1 | 99.7 | 137.2 | -67 | -176.5 | 160.5 | 0 | 0 | 122.1 | ||||
| 164 | N | 34.2 | Very low | 33.6 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 78% | 0.78 | S | S | * | * | 36.2 | 121.1 | 126.2 | -68.5 | -28.2 | 0 | 0 | 0 | 120.8 | |||||
| 165 | V | 37.1 | Very low | 33.5 | Very low | 140 Ų | 140 | 141.6 Ų | 141.6 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | 170.4 | 135.3 | 115.2 | 165.3 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 166 | P | 33.6 | Very low | 33.8 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | -108.5 | 150 | 177.6 | 37.5 | -27.9 | 0 | 0 | 0 | 114 | ||||
| 167 | S | 32.7 | Very low | 33.5 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | 148.7 | 145.9 | 127.1 | 66.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 168 | K | 39.5 | Very low | 33.7 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | 100.3 | 95.9 | 153.4 | -64.6 | -175.6 | 179.7 | -179.9 | 0 | 121 | ||||
| 169 | Q | 35.8 | Very low | 33.5 | Very low | 185 Ų | 185 | 139 Ų | 139 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | 53.9 | 139.3 | 125.6 | -79.4 | -176.5 | -34.7 | 0 | 0 | 123.4 | |||||
| 170 | P | 30.7 | Very low | 33.6 | Very low | 120 Ų | 120 | 141 Ų | 141 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -103.2 | 152.7 | -175.8 | 40.1 | -31.7 | 0 | 0 | 0 | 114 | ||||
| 171 | V | 35.9 | Very low | 33.2 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | trans | -147 | 114.2 | 173.7 | 174.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 172 | T | 35.9 | Very low | 32.7 | Very low | 130 Ų | 130 | 140 Ų | 140 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | 65.1 | 128.6 | 142.2 | 63.9 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 173 | D | 28.7 | Very low | 32.2 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 85% | 0.845 | 80% | 0.803 | S | S | * | * | trans | -33.1 | 142.4 | 155.8 | -78.1 | -57.1 | 0 | 0 | 0 | 118.1 | ||||
| 174 | A | 33.4 | Very low | 31.6 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -149.2 | 115.5 | 141.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 175 | R | 27.3 | Very low | 31.3 | Very low | 241 Ų | 241 | 140.3 Ų | 140.3 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -71.9 | 132.6 | 170 | -71.9 | 175 | 172.9 | 176.5 | -2.9 | 110.4 | ||||
| 176 | V | 33.4 | Very low | 30.6 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | -138.5 | 114.3 | 151.2 | 179.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 177 | G | 26.8 | Very low | 30.3 | Very low | 73 Ų | 73 | 144.9 Ų | 144.9 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | -86.6 | 148.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 178 | I | 32.1 | Very low | 30.1 | Very low | 148 Ų | 148 | 146.3 Ų | 146.3 | 76% | 0.759 | 81% | 0.81 | S | S | * | * | trans | -139.1 | 132.3 | 162 | -58.5 | -178.3 | 0 | 0 | 0 | 107.1 | ||||
| 179 | P | 29.3 | Very low | 29.5 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | trans | -86.3 | 136.1 | -172.6 | 33.9 | -31.6 | 0 | 0 | 0 | 111.4 | S181 | P179-S181 PolarHBondContact O-N 3.27Š| ||
| 180 | F | 30.8 | Very low | 29.1 | Very low | 215 Ų | 215 | 143.7 Ų | 143.7 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | trans | -84.7 | 107.3 | 166.7 | -89.1 | -81.4 | 0 | 0 | 0 | 110.4 | ||||
| 181 | S | 30.1 | Very low | 29 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -63.9 | 135.1 | 169.6 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | P179 | P179-S181 PolarHBondContact O-N 3.27Š| ||
| 182 | S | 24.1 | Very low | 28.6 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -49.2 | 129.2 | 164.3 | 135.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 183 | S | 28.4 | Very low | 28.4 | Very low | 116 Ų | 116 | 145.1 Ų | 145.1 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | -135.4 | 100.1 | 155.1 | 10.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 184 | Y | 24.5 | Very low | 28.5 | Very low | 191 Ų | 191 | 142.2 Ų | 142.2 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -45.1 | 130.9 | 154.2 | -108.4 | -102.9 | 0 | 0 | 0 | 110.7 | R186 | Y184-R186 HydrophobicContact CD1-CG 4.4Š| ||
| 185 | C | 26.7 | Very low | 28.5 | Very low | 134 Ų | 134 | 148.1 Ų | 148.1 | 91% | 0.905 | 80% | 0.8 | S | S | * | * | trans | -131.9 | 97.2 | 154.3 | -113.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 186 | R | 23.4 | Very low | 29 | Very low | 206 Ų | 206 | 142.3 Ų | 142.3 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -69.7 | 133.4 | 153.8 | -73.3 | -179.1 | -178.2 | -178.3 | 1.3 | 107.5 | Y184 | Y184-R186 HydrophobicContact CD1-CG 4.4Š| ||
| 187 | L | 26.1 | Very low | 29 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | 162.7 | 104.5 | 140.1 | -95.7 | 144.3 | 0 | 0 | 0 | 109.7 | ||||
| 188 | C | 30.2 | Very low | 29.1 | Very low | 139 Ų | 139 | 145 Ų | 145 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | trans | -156.4 | 87.8 | 140.3 | -97.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 189 | E | 26.2 | Very low | 29 | Very low | 148 Ų | 148 | 145 Ų | 145 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -66.9 | 145.9 | 168.9 | -71 | 173.8 | 156 | 0 | 0 | 111 | ||||
| 190 | H | 26.9 | Very low | 29.1 | Very low | 169 Ų | 169 | 147.6 Ų | 147.6 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | trans | 59.6 | 98.7 | 147.3 | -62.6 | -43.2 | 0 | 0 | 0 | 120.4 | ||||
| 191 | L | 29.1 | Very low | 29.2 | Very low | 172 Ų | 172 | 148.7 Ų | 148.7 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | trans | -142.7 | 126.3 | 135.5 | -90.8 | 168.1 | 0 | 0 | 0 | 109.6 | ||||
| 192 | P | 27.8 | Very low | 29.1 | Very low | 120 Ų | 120 | 153.4 Ų | 153.4 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -85 | 121.9 | -178.7 | 32.2 | -28.6 | 0 | 0 | 0 | 110.4 | ||
| 193 | S | 32.1 | Very low | 29.3 | Very low | 117 Ų | 117 | 154 Ų | 154 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 125.6 | 165.9 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | ||
| 194 | P | 30.6 | Very low | 29.3 | Very low | 97 Ų | 97 | 154.5 Ų | 154.5 | 63% | 0.63 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 153.7 | 176.1 | 34.2 | -31.1 | 0 | 0 | 0 | 110.3 | ||
| 195 | Y | 31.9 | Very low | 29.6 | Very low | 223 Ų | 223 | 152.1 Ų | 152.1 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | 78.3 | 74 | 173.8 | -66.8 | -87.3 | 0 | 0 | 0 | 118.6 | ||||
| 196 | V | 38.4 | Very low | 29.6 | Very low | 119 Ų | 119 | 156.8 Ų | 156.8 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -135.1 | 118.9 | 144.8 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | N198 | V196-N198 PolarHBondContact O-N 3.37Š| ||
| 197 | P | 33.7 | Very low | 30.1 | Very low | 113 Ų | 113 | 153.1 Ų | 153.1 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -66.9 | 122.2 | 176.5 | -16.2 | 29.5 | 0 | 0 | 0 | 110.9 | N199 | P197-N199 PolarHBondContact O-N 3.01Š| ||
| 198 | N | 28 | Very low | 30.3 | Very low | 156 Ų | 156 | 152.5 Ų | 152.5 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -62 | 95.9 | 172.3 | -83.6 | -28.4 | 0 | 0 | 0 | 110.9 | V196 | V196-N198 PolarHBondContact O-N 3.37Š| ||
| 199 | N | 30.8 | Very low | 30.2 | Very low | 147 Ų | 147 | 150.6 Ų | 150.6 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | trans | -150.6 | 66.1 | 162.9 | -86.3 | -33.1 | 0 | 0 | 0 | 110.1 | P197 | P197-N199 PolarHBondContact O-N 3.01Š| ||
| 200 | F | 32.2 | Very low | 30.6 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -98.9 | 94.6 | 169.7 | -89.3 | -83.4 | 0 | 0 | 0 | 110.4 | ||||
| 201 | R | 31.4 | Very low | 30.8 | Very low | 238 Ų | 238 | 146.8 Ų | 146.8 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -75.7 | 126.6 | 157.7 | -89.3 | -173.9 | 176 | -172 | -0.4 | 108.2 | C203 | R201-C203 PolarHBondContact O-N 3.36Š| ||
| 202 | K | 27.6 | Very low | 31.3 | Very low | 201 Ų | 201 | 145.7 Ų | 145.7 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | trans | -57.4 | 106.2 | 168.7 | -79 | 176.4 | 174.4 | 176.2 | 0 | 109.2 | T204 | K202-T204 PolarHBondContact O-N 3.4Š| ||
| 203 | C | 28.3 | Very low | 31.8 | Very low | 114 Ų | 114 | 141.6 Ų | 141.6 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | -83.1 | 100.9 | 165.3 | -112.8 | 0 | 0 | 0 | 0 | 108.3 | R201 D205 | R201-C203 PolarHBondContact O-N 3.36Å; C203-D205 VanDerWaalsContact C-N 3.32Å; C203-D205 PolarHBondContact O-N 3.35Å | ||
| 204 | T | 29.6 | Very low | 32.9 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | -86.7 | 71.9 | 168.5 | 51.8 | 0 | 0 | 0 | 0 | 109 | K202 | K202-T204 PolarHBondContact O-N 3.4Š| ||
| 205 | D | 30.1 | Very low | 34.1 | Very low | 142 Ų | 142 | 135.3 Ų | 135.3 | 76% | 0.759 | 70% | 0.704 | S | S | * | * | trans | -126.6 | 131.2 | 171.7 | -79 | -46.7 | 0 | 0 | 0 | 110.6 | C203 | C203-D205 VanDerWaalsContact C-N 3.32Å; C203-D205 PolarHBondContact O-N 3.35Å | ||
| 206 | R | 27.4 | Very low | 35.4 | Very low | 232 Ų | 232 | 128.3 Ų | 128.3 | 88% | 0.875 | 68% | 0.679 | S | S | * | * | trans | -58.4 | 143.1 | -176.7 | -76.8 | -180 | 177.3 | -163.1 | -0.9 | 110.9 | V208 | R206-V208 PolarHBondContact O-N 3.3Å; R206-V208 VanDerWaalsContact O-N 3.09Å | ||
| 207 | P | 33.3 | Very low | 36.4 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 83% | 0.831 | 66% | 0.66 | S | S | * | * | trans | -70.9 | 112.1 | 178.1 | 29.3 | -30.9 | 0 | 0 | 0 | 109.4 | A209 | P207-A209 PolarHBondContact O-N 3.47Š| ||
| 208 | V | 31.4 | Very low | 37.6 | Very low | 128 Ų | 128 | 119.7 Ų | 119.7 | 78% | 0.776 | 63% | 0.626 | S | S | * | * | trans | -66.8 | 124.7 | 158.6 | 174.8 | 0 | 0 | 0 | 0 | 106.4 | R206 L210 | R206-V208 PolarHBondContact O-N 3.3Å; R206-V208 VanDerWaalsContact O-N 3.09Å; V208-L210 PolarHBondContact O-N 2.85Å | ||
| 209 | A | 27.9 | Very low | 39.2 | Very low | 99 Ų | 99 | 114 Ų | 114 | 82% | 0.818 | 59% | 0.593 | S | S | * | * | trans | -65 | 96.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | P207 | P207-A209 PolarHBondContact O-N 3.47Š| ||
| 210 | L | 33.9 | Very low | 40.7 | Very low | 125 Ų | 125 | 113.2 Ų | 113.2 | 65% | 0.654 | 59% | 0.585 | S | S | * | * | trans | -70.4 | 140.6 | 166.9 | -80.2 | 155.3 | 0 | 0 | 0 | 108.8 | V208 R212 F256 | V208-L210 PolarHBondContact O-N 2.85Å; L210-R212 PolarHBondContact O-N 3.12Å; L210-F256 HydrophobicContact CD1-CZ 4.35Å | ||
| 211 | P | 30.7 | Very low | 41.8 | Very low | 112 Ų | 112 | 110.4 Ų | 110.4 | 73% | 0.727 | 58% | 0.577 | S | S | * | * | trans | -56.1 | 128.8 | 173.9 | 22.7 | -29.6 | 0 | 0 | 0 | 108.8 | S213 | P211-S213 PolarHBondContact O-N 3.34Š| ||
| 212 | R | 39.4 | Very low | 42.9 | Very low | 149 Ų | 149 | 100.3 Ų | 100.3 | 56% | 0.562 | 54% | 0.542 | S | S | * | . | trans | -43.1 | 100.8 | -180 | -112.3 | 175.7 | 176.1 | -159.9 | -7.3 | 109.4 | E121 W137 L210 T214 | E121-R212 IonicContact OE1-CZ 4Å; E121-R212 IonicContact OE1-NE 3.64Å; E121-R212 IonicContact OE1-NH2 3.93Å; E121-R212 PolarHBondContact OE1-NH2 3.14Å; E121-R212 VanDerWaalsContact OE1-NH2 3.09Å; E121-R212 IonicContact OE2-CZ 3.55Å; E121-R212 IonicContact OE2-NE 3.89Å; E121-R212 IonicContact OE2-NH2 2.63Å; E121-R212 PolarHBondContact OE2-NH2 3.34Å; W137-R212 VanDerWaalsContact CZ3-NH2 3.34Å; L210-R212 PolarHBondContact O-N 3.12Å; R212-T214 PolarHBondContact O-N 3.11Å | ||
| 213 | S | 40.1 | Very low | 44 | Very low | 34 Ų | 34 | 92.2 Ų | 92.2 | 24% | 0.238 | 51% | 0.511 | C | S | . | . | trans | -73 | 116.4 | 176.7 | 47.5 | 0 | 0 | 0 | 0 | 107.4 | P211 | P211-S213 PolarHBondContact O-N 3.34Š| ||
| 214 | T | 54.4 | Low | 44.8 | Very low | 81 Ų | 81 | 90.2 Ų | 90.2 | 50% | 0.497 | 50% | 0.503 | S | S | . | . | trans | -61 | 150.4 | 165.3 | 54 | 0 | 0 | 0 | 0 | 108.3 | R212 H216 S217 M218 | R212-T214 PolarHBondContact O-N 3.11Å; T214-H216 CarbonylContact O-C 3.54Å; T214-H216 PolarHBondContact O-N 3.27Å; T214-S217 WeakPolarHBondContact O-CA 3.31Å; T214-S217 WeakPolarHBondContact O-CB 3.15Å; T214-S217 PolarHBondContact O-N 3.45Å; T214-S217 PolarHBondContact OG1-N 3.02Å; T214-M218 PolarHBondContact O-N 3.37Å | ||
| 215 | P | 56.6 | Low | 45.6 | Very low | 2 Ų | 2 | 87.4 Ų | 87.4 | 1% | 0.013 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -51.6 | -27.2 | 172.2 | -36.1 | 39.8 | 0 | 0 | 0 | 113 | M218 Y219 A320 M358 N397 F403 | P215-M218 PolarHBondContact O-N 3.15Å; P215-Y219 VanDerWaalsContact O-CB 3.3Å; P215-Y219 WeakPolarHBondContact O-CB 3.23Å; P215-Y219 PolarHBondContact O-N 3.11Å; P215-A320 HydrophobicContact CB-CB 3.88Å; P215-A320 WeakPolarHBondContact O-CB 3.49Å; P215-M358 HydrophobicContact CB-CE 3.74Å; P215-M358 HydrophobicContact CG-CE 3.37Å; P215-M358 HydrophobicContact CG-SD 3.93Å; P215-N397 WeakPolarHBondContact CD-OD1 3.31Å; P215-N397 WeakPolarHBondContact CG-OD1 3.2Å; P215-F403 HydrophobicContact CB-CE2 4.26Å |
| 216 | H | 58.8 | Low | 46 | Very low | 76 Ų | 76 | 86.9 Ų | 86.9 | 35% | 0.352 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.3 | -52.1 | 166.4 | -86 | -69.9 | 0 | 0 | 0 | 113.1 | T214 M218 Y219 E220 N318 | T214-H216 CarbonylContact O-C 3.54Å; T214-H216 PolarHBondContact O-N 3.27Å; H216-M218 VanDerWaalsContact C-N 3.26Å; H216-M218 PolarHBondContact O-N 3.45Å; H216-Y219 PolarHBondContact O-N 3.38Å; H216-E220 WeakPolarHBondContact O-CB 3.42Å; H216-E220 WeakPolarHBondContact O-CG 3.39Å; H216-E220 PolarHBondContact O-N 3.07Å; H216-N318 PolarHBondContact CE1-ND2 3.5Å; H216-N318 PolarHBondContact CE1-OD1 3.48Å; H216-N318 PolarHBondContact NE2-ND2 3.39Å |
| 217 | S | 58.4 | Low | 46.3 | Very low | 46 Ų | 46 | 81.6 Ų | 81.6 | 32% | 0.322 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.5 | -36.8 | 175 | 174.5 | 0 | 0 | 0 | 0 | 111.8 | T214 L221 | T214-S217 WeakPolarHBondContact O-CA 3.31Å; T214-S217 WeakPolarHBondContact O-CB 3.15Å; T214-S217 PolarHBondContact O-N 3.45Å; T214-S217 PolarHBondContact OG1-N 3.02Å; S217-L221 WeakPolarHBondContact O-CB 3.41Å; S217-L221 WeakPolarHBondContact O-CD1 3.29Å; S217-L221 WeakPolarHBondContact O-CG 3.41Å; S217-L221 PolarHBondContact O-N 3.46Å |
| 218 | M | 58.5 | Low | 46.3 | Very low | 4 Ų | 4 | 80 Ų | 80 | 2% | 0.02 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -69.6 | -42.7 | 177.5 | -65.7 | -110.9 | -72.4 | 0 | 0 | 112.5 | T214 P215 H216 E220 L221 C222 I396 P400 F403 | T214-M218 PolarHBondContact O-N 3.37Å; P215-M218 PolarHBondContact O-N 3.15Å; H216-M218 VanDerWaalsContact C-N 3.26Å; H216-M218 PolarHBondContact O-N 3.45Å; M218-E220 VanDerWaalsContact C-N 3.35Å; M218-L221 WeakPolarHBondContact O-CB 3.4Å; M218-L221 PolarHBondContact O-N 2.99Å; M218-C222 PolarHBondContact O-N 2.93Å; M218-C222 PolarHBondContact O-SG 3.48Å; M218-I396 WeakPolarHBondContact CE-O 3.33Å; M218-P400 HydrophobicContact CE-CB 4.12Å; M218-P400 HydrophobicContact CE-CG 4.2Å; M218-P400 HydrophobicContact SD-CB 3.78Å; M218-P400 HydrophobicContact SD-CG 3.54Å; M218-P400 VanDerWaalsContact SD-CG 3.54Å; M218-F403 HydrophobicContact CB-CD1 4.11Å; M218-F403 HydrophobicContact CB-CE1 4.2Å; M218-F403 HydrophobicContact CE-CB 3.71Å; M218-F403 HydrophobicContact CE-CG 4.18Å |
| 219 | Y | 63.1 | Low | 46.2 | Very low | 36 Ų | 36 | 82 Ų | 82 | 14% | 0.141 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 174.9 | -173.8 | -95.1 | 0 | 0 | 0 | 111.6 | P215 H216 C222 S223 A267 P319 F403 I407 | P215-Y219 VanDerWaalsContact O-CB 3.3Å; P215-Y219 WeakPolarHBondContact O-CB 3.23Å; P215-Y219 PolarHBondContact O-N 3.11Å; H216-Y219 PolarHBondContact O-N 3.38Å; Y219-C222 PolarHBondContact O-N 3Å; Y219-S223 VanDerWaalsContact O-CB 3.32Å; Y219-S223 WeakPolarHBondContact O-CB 3.35Å; Y219-S223 PolarHBondContact O-N 2.99Å; Y219-S223 PolarHBondContact O-OG 3.38Å; Y219-A267 PolarHBondContact OH-O 3.11Å; Y219-A267 VanDerWaalsContact OH-O 3.13Å; Y219-P319 HydrophobicContact CD1-CB 4.08Å; Y219-P319 HydrophobicContact CD2-CB 3.81Å; Y219-P319 HydrophobicContact CE1-CB 3.61Å; Y219-P319 HydrophobicContact CE1-CG 3.83Å; Y219-P319 HydrophobicContact CE2-CB 3.31Å; Y219-P319 HydrophobicContact CE2-CG 4.29Å; Y219-P319 HydrophobicContact CG-CB 4.17Å; Y219-F403 HydrophobicContact CD2-CE1 4.3Å; Y219-F403 HydrophobicContact CD2-CZ 4.24Å; Y219-I407 HydrophobicContact CD2-CD1 4.19Å |
| 220 | E | 61.7 | Low | 46.2 | Very low | 132 Ų | 132 | 85.4 Ų | 85.4 | 62% | 0.617 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.7 | -43.8 | 172.4 | -76.3 | -176.2 | -177.3 | 0 | 0 | 112 | H216 M218 C222 S223 A224 | H216-E220 WeakPolarHBondContact O-CB 3.42Å; H216-E220 WeakPolarHBondContact O-CG 3.39Å; H216-E220 PolarHBondContact O-N 3.07Å; M218-E220 VanDerWaalsContact C-N 3.35Å; E220-C222 VanDerWaalsContact C-N 3.29Å; E220-C222 PolarHBondContact O-N 3.34Å; E220-S223 CarbonylContact O-C 3.54Å; E220-S223 WeakPolarHBondContact O-CA 3.27Å; E220-S223 PolarHBondContact O-N 3.42Å; E220-A224 VanDerWaalsContact O-CB 3.25Å; E220-A224 WeakPolarHBondContact O-CB 3.37Å; E220-A224 PolarHBondContact O-N 2.9Å |
| 221 | L | 55.4 | Low | 45.8 | Very low | 113 Ų | 113 | 89.6 Ų | 89.6 | 59% | 0.592 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.7 | -41.9 | 174.3 | -79.5 | 160.7 | 0 | 0 | 0 | 111.6 | S217 M218 S223 | S217-L221 WeakPolarHBondContact O-CB 3.41Å; S217-L221 WeakPolarHBondContact O-CD1 3.29Å; S217-L221 WeakPolarHBondContact O-CG 3.41Å; S217-L221 PolarHBondContact O-N 3.46Å; M218-L221 WeakPolarHBondContact O-CB 3.4Å; M218-L221 PolarHBondContact O-N 2.99Å; L221-S223 VanDerWaalsContact C-N 3.29Å; L221-S223 PolarHBondContact O-N 3.2Å |
| 222 | C | 53.8 | Low | 45.8 | Very low | 26 Ų | 26 | 92.4 Ų | 92.4 | 18% | 0.176 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -69.1 | -25.8 | 174.3 | -68.5 | 0 | 0 | 0 | 0 | 113.2 | M218 Y219 E220 | M218-C222 PolarHBondContact O-N 2.93Å; M218-C222 PolarHBondContact O-SG 3.48Å; Y219-C222 PolarHBondContact O-N 3Å; E220-C222 VanDerWaalsContact C-N 3.29Å; E220-C222 PolarHBondContact O-N 3.34Å |
| 223 | S | 51.2 | Low | 45.2 | Very low | 32 Ų | 32 | 91.2 Ų | 91.2 | 22% | 0.224 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -91 | -28.2 | -177.8 | -59.7 | 0 | 0 | 0 | 0 | 113.9 | Y219 E220 L221 T225 | Y219-S223 VanDerWaalsContact O-CB 3.32Å; Y219-S223 WeakPolarHBondContact O-CB 3.35Å; Y219-S223 PolarHBondContact O-N 2.99Å; Y219-S223 PolarHBondContact O-OG 3.38Å; E220-S223 CarbonylContact O-C 3.54Å; E220-S223 WeakPolarHBondContact O-CA 3.27Å; E220-S223 PolarHBondContact O-N 3.42Å; L221-S223 VanDerWaalsContact C-N 3.29Å; L221-S223 PolarHBondContact O-N 3.2Å; S223-T225 VanDerWaalsContact C-N 3.33Å; S223-T225 PolarHBondContact O-N 3.36Å |
| 224 | A | 46.2 | Very low | 44.9 | Very low | 71 Ų | 71 | 96.6 Ų | 96.6 | 59% | 0.587 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -80.3 | -5.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115 | E220 K226 S227 | E220-A224 VanDerWaalsContact O-CB 3.25Å; E220-A224 WeakPolarHBondContact O-CB 3.37Å; E220-A224 PolarHBondContact O-N 2.9Å; A224-K226 PolarHBondContact O-N 2.9Å; A224-S227 PolarHBondContact O-N 3.47Å |
| 225 | T | 45.1 | Very low | 43.8 | Very low | 67 Ų | 67 | 95.9 Ų | 95.9 | 41% | 0.411 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -67 | -3.3 | -174.9 | 43.1 | 0 | 0 | 0 | 0 | 115.3 | S223 | S223-T225 VanDerWaalsContact C-N 3.33Å; S223-T225 PolarHBondContact O-N 3.36Å |
| 226 | K | 37.9 | Very low | 42.6 | Very low | 131 Ų | 131 | 102.1 Ų | 102.1 | 57% | 0.57 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -89.6 | -7.7 | 178.2 | -78.3 | -175 | 178.6 | 173.1 | 0 | 116.2 | A224 S264 | A224-K226 PolarHBondContact O-N 2.9Å; K226-S264 WeakPolarHBondContact CE-OG 3.35Å |
| 227 | S | 34 | Very low | 41.6 | Very low | 121 Ų | 121 | 107.2 Ų | 107.2 | 85% | 0.846 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -91.4 | 4.8 | -170.5 | -151.6 | 0 | 0 | 0 | 0 | 115.9 | A224 | A224-S227 PolarHBondContact O-N 3.47Š|
| 228 | A | 34 | Very low | 40.2 | Very low | 94 Ų | 94 | 111.5 Ų | 111.5 | 78% | 0.777 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -112.7 | -8.2 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 229 | E | 29.1 | Very low | 39.3 | Very low | 172 Ų | 172 | 118 Ų | 118 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | trans | -135.7 | 82.6 | -176.5 | -84.7 | -177.8 | 122.9 | 0 | 0 | 112.4 | ||||
| 230 | L | 28.2 | Very low | 37.7 | Very low | 169 Ų | 169 | 126 Ų | 126 | 89% | 0.885 | 71% | 0.707 | S | S | * | * | trans | -149.7 | 73.7 | 158.5 | -108.2 | 130.1 | 0 | 0 | 0 | 108.9 | ||||
| 231 | K | 25.1 | Very low | 36.5 | Very low | 213 Ų | 213 | 127.5 Ų | 127.5 | 93% | 0.926 | 72% | 0.718 | S | S | * | * | trans | -116.2 | 94.3 | 157.2 | -82.6 | -176 | 178 | 177.7 | 0 | 107.3 | ||||
| 232 | M | 30.3 | Very low | 35.6 | Very low | 172 Ų | 172 | 131 Ų | 131 | 85% | 0.847 | 73% | 0.731 | S | S | * | * | trans | -136.8 | 97.5 | 166.2 | -128.5 | -178.3 | 165.3 | 0 | 0 | 109.7 | ||||
| 233 | T | 28.2 | Very low | 34.5 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | 18.5 | 117.9 | 145.8 | 48 | 0 | 0 | 0 | 0 | 119 | ||||
| 234 | T | 33.5 | Very low | 33.7 | Very low | 147 Ų | 147 | 143.6 Ų | 143.6 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -158 | 125.7 | 139.4 | 7.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 235 | G | 30.2 | Very low | 33 | Very low | 66 Ų | 66 | 151.3 Ų | 151.3 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | trans | 72.5 | 99.9 | 143.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 236 | T | 31.5 | Very low | 32.7 | Very low | 133 Ų | 133 | 159.5 Ų | 159.5 | 82% | 0.816 | 83% | 0.831 | S | S | * | * | trans | 73.4 | 124.2 | 130.4 | -27.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 237 | Q | 38.7 | Very low | 32.4 | Very low | 183 Ų | 183 | 161 Ų | 161 | 86% | 0.855 | 85% | 0.845 | S | S | * | * | trans | 111.7 | 118.2 | 153.7 | -54.9 | -165.1 | 39 | 0 | 0 | 117.4 | ||||
| 238 | T | 28.6 | Very low | 32.7 | Very low | 136 Ų | 136 | 164.8 Ų | 164.8 | 83% | 0.834 | 85% | 0.846 | S | S | * | * | trans | -75.5 | 124.4 | -176.4 | 45.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 239 | V | 38.6 | Very low | 32.7 | Very low | 140 Ų | 140 | 169.6 Ų | 169.6 | 85% | 0.848 | 85% | 0.85 | S | S | * | * | trans | -141.3 | 126.5 | 143.7 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 240 | K | 30.6 | Very low | 32.7 | Very low | 203 Ų | 203 | 167.2 Ų | 167.2 | 88% | 0.883 | 85% | 0.852 | S | S | * | * | trans | -72 | 117.7 | -176.2 | -161.7 | 178.3 | -172.7 | -179.3 | 0 | 109 | ||||
| 241 | L | 36 | Very low | 32.9 | Very low | 164 Ų | 164 | 164 Ų | 164 | 86% | 0.859 | 84% | 0.844 | S | S | * | * | trans | -134.5 | 126.1 | 167.7 | -112.1 | 145.3 | 0 | 0 | 0 | 110.1 | ||||
| 242 | E | 37.4 | Very low | 33.2 | Very low | 186 Ų | 186 | 159 Ų | 159 | 87% | 0.869 | 84% | 0.836 | S | S | * | * | trans | -63.8 | 142.1 | -159.5 | -73.2 | 170.1 | 117.3 | 0 | 0 | 115.1 | S244 | E242-S244 PolarHBondContact O-N 3.06Š| ||
| 243 | K | 30.7 | Very low | 33.2 | Very low | 209 Ų | 209 | 160 Ų | 160 | 91% | 0.909 | 84% | 0.836 | S | S | * | * | trans | -72.5 | 110.2 | 166.8 | -80.3 | 174.1 | 174.4 | 170.4 | 0 | 109.9 | ||||
| 244 | S | 34.6 | Very low | 33.5 | Very low | 114 Ų | 114 | 159.1 Ų | 159.1 | 80% | 0.797 | 83% | 0.832 | S | S | * | * | trans | -99.3 | 104.3 | 155.9 | -166.6 | 0 | 0 | 0 | 0 | 109.9 | E242 R246 | E242-S244 PolarHBondContact O-N 3.06Å; S244-R246 PolarHBondContact O-N 3.34Å | ||
| 245 | R | 31.3 | Very low | 33.4 | Very low | 233 Ų | 233 | 160.6 Ų | 160.6 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -65.9 | 120.9 | 171.5 | -81.8 | 175.2 | 159.8 | 173.7 | -5.2 | 109.6 | ||||
| 246 | R | 38.5 | Very low | 33.5 | Very low | 240 Ų | 240 | 165.4 Ų | 165.4 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | trans | -132.7 | 113 | 148 | -79.7 | -170.5 | -173.1 | 168.8 | 3.2 | 110.8 | S244 | S244-R246 PolarHBondContact O-N 3.34Š| ||
| 247 | N | 31.4 | Very low | 33.6 | Very low | 161 Ų | 161 | 166.5 Ų | 166.5 | 86% | 0.861 | 83% | 0.83 | S | S | * | * | trans | -53.9 | 129.7 | 165.3 | -78.2 | -32.2 | 0 | 0 | 0 | 111 | ||||
| 248 | K | 39.7 | Very low | 33.2 | Very low | 201 Ų | 201 | 160.6 Ų | 160.6 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -158.3 | 98.8 | 146.6 | -109.7 | 169.1 | -172.6 | -178.5 | 0 | 110.8 | ||||
| 249 | K | 33.7 | Very low | 33.6 | Very low | 195 Ų | 195 | 158.4 Ų | 158.4 | 85% | 0.848 | 81% | 0.807 | S | S | * | * | trans | 36 | 107.4 | 138.4 | -67 | 179.6 | 175 | -178.7 | 0 | 117.6 | ||||
| 250 | S | 29.5 | Very low | 33.8 | Very low | 123 Ų | 123 | 158.3 Ų | 158.3 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | 22.4 | 103.1 | 122.6 | 171.5 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 251 | S | 33.6 | Very low | 34.4 | Very low | 101 Ų | 101 | 156.4 Ų | 156.4 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -136.1 | 116.7 | 140.1 | 55.2 | 0 | 0 | 0 | 0 | 107 | F253 | S251-F253 PolarHBondContact O-N 3.21Š| ||
| 252 | S | 30.1 | Very low | 35.1 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | trans | -58.6 | 110.9 | 175.8 | 50.9 | 0 | 0 | 0 | 0 | 109.3 | P254 | S252-P254 WeakPolarHBondContact O-CD 3.4Š| ||
| 253 | F | 31.2 | Very low | 35.6 | Very low | 192 Ų | 192 | 146.1 Ų | 146.1 | 84% | 0.842 | 74% | 0.739 | S | S | * | * | trans | -63 | 120.1 | 158.2 | -86 | -88.8 | 0 | 0 | 0 | 106.8 | S251 H255 | S251-F253 PolarHBondContact O-N 3.21Å; F253-H255 PolarHBondContact O-N 3.12Å; F253-H255 VanDerWaalsContact O-N 3.11Å | ||
| 254 | P | 33.6 | Very low | 36.6 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 68% | 0.682 | 71% | 0.705 | S | S | * | * | trans | -63.2 | 120.6 | 173.9 | 26.2 | -28.6 | 0 | 0 | 0 | 106.6 | S252 F256 | S252-P254 WeakPolarHBondContact O-CD 3.4Å; P254-F256 PolarHBondContact O-N 3.3Å | ||
| 255 | H | 32.1 | Very low | 37.7 | Very low | 178 Ų | 178 | 133.9 Ų | 133.9 | 82% | 0.824 | 68% | 0.678 | S | S | * | * | trans | -47.3 | 108.1 | 161.9 | -94 | -64.9 | 0 | 0 | 0 | 107.4 | F253 I257 | F253-H255 PolarHBondContact O-N 3.12Å; F253-H255 VanDerWaalsContact O-N 3.11Å; H255-I257 HydrophobicContact CB-CD1 4.41Å; H255-I257 HydrophobicContact CB-CG1 3.95Å; H255-I257 PolarHBondContact O-N 2.98Å | ||
| 256 | F | 31.6 | Very low | 39.4 | Very low | 168 Ų | 168 | 129 Ų | 129 | 74% | 0.737 | 67% | 0.665 | S | S | * | * | trans | -72.6 | 78.9 | 168.6 | -134.2 | -92.7 | 0 | 0 | 0 | 106.5 | L210 P254 G258 | L210-F256 HydrophobicContact CD1-CZ 4.35Å; P254-F256 PolarHBondContact O-N 3.3Å; F256-G258 PolarHBondContact O-N 3.33Å | ||
| 257 | I | 33.9 | Very low | 41.2 | Very low | 156 Ų | 156 | 118.2 Ų | 118.2 | 80% | 0.8 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 114.7 | 174.5 | -65.3 | 170.2 | 0 | 0 | 0 | 106.6 | H255 | H255-I257 HydrophobicContact CB-CD1 4.41Å; H255-I257 HydrophobicContact CB-CG1 3.95Å; H255-I257 PolarHBondContact O-N 2.98Å |
| 258 | G | 31 | Very low | 44 | Very low | 58 Ų | 58 | 114.2 Ų | 114.2 | 60% | 0.598 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 118.7 | 16.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | F256 Y260 | F256-G258 PolarHBondContact O-N 3.33Å; G258-Y260 PolarHBondContact O-N 3.48Å |
| 259 | C | 36.3 | Very low | 46.6 | Very low | 90 Ų | 90 | 106.8 Ų | 106.8 | 61% | 0.608 | 58% | 0.583 | S | S | * | * | trans | -80.3 | 97.5 | 159.3 | -143.4 | 0 | 0 | 0 | 0 | 106.9 | F261 | C259-F261 PolarHBondContact O-N 2.92Š| ||
| 260 | Y | 44.1 | Very low | 49.4 | Very low | 138 Ų | 138 | 99.8 Ų | 99.8 | 54% | 0.541 | 57% | 0.566 | S | S | . | * | trans | -50.1 | 116.9 | 170.9 | -69.3 | -88.1 | 0 | 0 | 0 | 107.6 | G258 Y262 | G258-Y260 PolarHBondContact O-N 3.48Å; Y260-Y262 VanDerWaalsContact C-N 3.29Å; Y260-Y262 WeakPolarHBondContact O-CD2 3.14Å; Y260-Y262 WeakPolarHBondContact O-CE2 2.9Å; Y260-Y262 PolarHBondContact O-N 3.44Å | ||
| 261 | F | 42.4 | Very low | 52.5 | Low | 164 Ų | 164 | 97 Ų | 97 | 72% | 0.719 | 54% | 0.539 | S | S | * | . | trans | -61.4 | 94.2 | 177.3 | -120.1 | -98.5 | 0 | 0 | 0 | 107.1 | C259 P263 | C259-F261 PolarHBondContact O-N 2.92Å; F261-P263 WeakPolarHBondContact O-CD 3.42Å | ||
| 262 | Y | 50.2 | Low | 55.4 | Low | 42 Ų | 42 | 92.2 Ų | 92.2 | 17% | 0.165 | 51% | 0.506 | C | S | . | . | trans | -68.9 | 124.2 | 164.3 | -61.8 | -72.4 | 0 | 0 | 0 | 105.6 | Y260 S264 A401 L408 | Y260-Y262 VanDerWaalsContact C-N 3.29Å; Y260-Y262 WeakPolarHBondContact O-CD2 3.14Å; Y260-Y262 WeakPolarHBondContact O-CE2 2.9Å; Y260-Y262 PolarHBondContact O-N 3.44Å; Y262-S264 PolarHBondContact O-N 3.27Å; Y262-A401 WeakPolarHBondContact OH-CA 3.38Å; Y262-A401 WeakPolarHBondContact OH-CB 3.17Å; Y262-A401 PolarHBondContact OH-O 2.81Å; Y262-L408 HydrophobicContact CD1-CD1 3.68Å; Y262-L408 HydrophobicContact CD1-CG 4.26Å; Y262-L408 HydrophobicContact CE1-CD1 4.11Å | ||
| 263 | P | 47.8 | Very low | 58.6 | Low | 92 Ų | 92 | 87.3 Ų | 87.3 | 60% | 0.597 | 47% | 0.471 | S | S | * | . | trans | -48.4 | 122.2 | 167.1 | -22 | 31.6 | 0 | 0 | 0 | 106.4 | F261 V265 | F261-P263 WeakPolarHBondContact O-CD 3.42Å; P263-V265 WeakPolarHBondContact O-CG2 3.42Å; P263-V265 PolarHBondContact O-N 2.97Å | ||
| 264 | S | 51.9 | Low | 61.7 | Low | 29 Ų | 29 | 81.4 Ų | 81.4 | 20% | 0.203 | 44% | 0.444 | C | S | . | . | trans | -53.1 | 102.8 | -177.1 | 58.9 | 0 | 0 | 0 | 0 | 108.2 | K226 Y262 Q266 | K226-S264 WeakPolarHBondContact CE-OG 3.35Å; Y262-S264 PolarHBondContact O-N 3.27Å; S264-Q266 VanDerWaalsContact C-N 3.28Å; S264-Q266 PolarHBondContact O-N 3.47Å | ||
| 265 | V | 58.3 | Low | 64.7 | Low | 37 Ų | 37 | 76.5 Ų | 76.5 | 22% | 0.224 | 41% | 0.412 | C | S | . | . | trans | -80 | 88 | 177 | -179.5 | 0 | 0 | 0 | 0 | 106.1 | P263 A267 I407 L408 A411 | P263-V265 WeakPolarHBondContact O-CG2 3.42Å; P263-V265 PolarHBondContact O-N 2.97Å; V265-A267 HydrophobicContact CG1-CB 4.05Å; V265-A267 PolarHBondContact O-N 3.33Å; V265-I407 HydrophobicContact CB-CG2 3.58Å; V265-I407 HydrophobicContact CG1-CG2 3.95Å; V265-I407 HydrophobicContact CG2-CG2 3.76Å; V265-L408 HydrophobicContact CG2-CD2 3.86Å; V265-A411 HydrophobicContact CG1-CB 3.8Å | ||
| 266 | Q | 66.9 | Low | 67.8 | Low | 131 Ų | 131 | 68 Ų | 68 | 61% | 0.612 | 37% | 0.372 | S | S | * | . | trans | -77.8 | 74.7 | 169.4 | -68.4 | -168.5 | -75.7 | 0 | 0 | 108.7 | S264 | S264-Q266 VanDerWaalsContact C-N 3.28Å; S264-Q266 PolarHBondContact O-N 3.47Å | ||
| 267 | A | 76.8 | Confident | 70.9 | Confident | 13 Ų | 13 | 60 Ų | 60 | 11% | 0.107 | 34% | 0.337 | C | S | . | . | trans | -95 | 131.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y219 V265 E271 L272 | Y219-A267 PolarHBondContact OH-O 3.11Å; Y219-A267 VanDerWaalsContact OH-O 3.13Å; V265-A267 HydrophobicContact CG1-CB 4.05Å; V265-A267 PolarHBondContact O-N 3.33Å; A267-E271 HydrophobicContact CB-CB 4.34Å; A267-E271 HydrophobicContact CB-CG 4.12Å; A267-L272 HydrophobicContact CB-CD1 4.45Å; A267-L272 HydrophobicContact CB-CD2 3.63Å; A267-L272 HydrophobicContact CB-CG 3.74Å | ||
| 268 | S | 89.8 | Confident | 73.9 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 53% | 0.531 | 30% | 0.3 | S | S | . | . | trans | -66.3 | 160.1 | 171.5 | 73.4 | 0 | 0 | 0 | 0 | 110.2 | G270 E271 L272 | S268-G270 PolarHBondContact O-N 3.42Å; S268-E271 WeakPolarHBondContact O-CB 3.25Å; S268-E271 PolarHBondContact O-N 3.2Å; S268-E271 WeakPolarHBondContact OG-CB 3.49Å; S268-E271 PolarHBondContact OG-N 2.9Å; S268-E271 VanDerWaalsContact OG-N 3.08Å; S268-L272 PolarHBondContact O-N 2.85Å | ||
| 269 | T | 93.4 | Very high | 77.1 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -53.8 | -40.6 | 173.3 | -50.4 | 0 | 0 | 0 | 0 | 112.1 | L272 L273 I317 L322 | T269-L272 PolarHBondContact O-N 3.31Å; T269-L273 WeakPolarHBondContact O-CG 3.24Å; T269-L273 PolarHBondContact O-N 2.94Å; T269-I317 HydrophobicContact CG2-CG2 3.56Å; T269-L322 HydrophobicContact CG2-CD1 3.75Å |
| 270 | G | 94 | Very high | 80 | Confident | 47 Ų | 47 | 46.2 Ų | 46.2 | 49% | 0.485 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.7 | -37.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S268 L273 R274 | S268-G270 PolarHBondContact O-N 3.42Å; G270-L273 PolarHBondContact O-N 2.98Å; G270-R274 PolarHBondContact O-N 2.96Å |
| 271 | E | 93.4 | Very high | 82.4 | Confident | 64 Ų | 64 | 44.6 Ų | 44.6 | 30% | 0.299 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.2 | -43.3 | 175.8 | -179.6 | 60.7 | -174.9 | 0 | 0 | 111.7 | A267 S268 L273 R274 C275 | A267-E271 HydrophobicContact CB-CB 4.34Å; A267-E271 HydrophobicContact CB-CG 4.12Å; S268-E271 WeakPolarHBondContact O-CB 3.25Å; S268-E271 PolarHBondContact O-N 3.2Å; S268-E271 WeakPolarHBondContact OG-CB 3.49Å; S268-E271 PolarHBondContact OG-N 2.9Å; S268-E271 VanDerWaalsContact OG-N 3.08Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-L273 PolarHBondContact O-N 2.9Å; E271-R274 WeakPolarHBondContact O-CB 3.19Å; E271-R274 PolarHBondContact O-N 3.4Å; E271-R274 IonicContact OE1-CZ 3.52Å; E271-R274 IonicContact OE1-NE 3.38Å; E271-R274 IonicContact OE1-NH2 2.69Å; E271-R274 PolarHBondContact OE1-NH2 3.28Å; E271-R274 IonicContact OE2-CZ 2.74Å; E271-R274 IonicContact OE2-NE 3.45Å; E271-R274 PolarHBondContact OE2-NE 2.87Å; E271-R274 IonicContact OE2-NH2 3.43Å; E271-R274 PolarHBondContact OE2-NH2 3.32Å; E271-C275 PolarHBondContact O-N 3.37Å; E271-C275 PolarHBondContact O-SG 3.42Å |
| 272 | L | 95.5 | Very high | 84.9 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.9 | -40.2 | 176 | -68 | 173.6 | 0 | 0 | 0 | 112.3 | A267 S268 T269 R274 C275 F276 P319 L322 I323 L410 | A267-L272 HydrophobicContact CB-CD1 4.45Å; A267-L272 HydrophobicContact CB-CD2 3.63Å; A267-L272 HydrophobicContact CB-CG 3.74Å; S268-L272 PolarHBondContact O-N 2.85Å; T269-L272 PolarHBondContact O-N 3.31Å; L272-R274 VanDerWaalsContact C-N 3.33Å; L272-R274 PolarHBondContact O-N 2.9Å; L272-C275 PolarHBondContact O-N 3.29Å; L272-F276 VanDerWaalsContact O-CB 3.27Å; L272-F276 WeakPolarHBondContact O-CB 3.12Å; L272-F276 PolarHBondContact O-N 2.92Å; L272-P319 HydrophobicContact CD1-CB 3.53Å; L272-P319 HydrophobicContact CD1-CG 4.12Å; L272-L322 HydrophobicContact CB-CD1 3.91Å; L272-I323 HydrophobicContact CD2-CD1 4.32Å; L272-L410 HydrophobicContact CB-CD2 4.44Å; L272-L410 HydrophobicContact CD2-CD2 4.06Å; L272-L410 HydrophobicContact CD2-CG 4.46Å |
| 273 | L | 96.9 | Very high | 87.1 | Confident | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 173.4 | -78.6 | 170.7 | 0 | 0 | 0 | 111.8 | T269 G270 E271 F276 G277 A296 L299 I317 L322 | T269-L273 WeakPolarHBondContact O-CG 3.24Å; T269-L273 PolarHBondContact O-N 2.94Å; G270-L273 PolarHBondContact O-N 2.98Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-L273 PolarHBondContact O-N 2.9Å; L273-F276 PolarHBondContact O-N 3.39Å; L273-G277 PolarHBondContact O-N 3.36Å; L273-A296 HydrophobicContact CB-CB 4.36Å; L273-A296 HydrophobicContact CD1-CB 4.45Å; L273-L299 HydrophobicContact CD2-CD1 3.85Å; L273-I317 HydrophobicContact CD1-CG2 4.23Å; L273-L322 HydrophobicContact CD2-CD1 4.17Å; L273-L322 HydrophobicContact CD2-CD2 3.66Å; L273-L322 HydrophobicContact CG-CD1 3.88Å; L273-L322 HydrophobicContact CG-CD2 4.31Å |
| 274 | R | 95.6 | Very high | 89.4 | Confident | 68 Ų | 68 | 36.8 Ų | 36.8 | 26% | 0.257 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.8 | -51.8 | 176.5 | -173.5 | -169.8 | 71.1 | 92 | -7 | 111.1 | G270 E271 L272 F276 G277 I278 G414 D418 | G270-R274 PolarHBondContact O-N 2.96Å; E271-R274 WeakPolarHBondContact O-CB 3.19Å; E271-R274 PolarHBondContact O-N 3.4Å; E271-R274 IonicContact OE1-CZ 3.52Å; E271-R274 IonicContact OE1-NE 3.38Å; E271-R274 IonicContact OE1-NH2 2.69Å; E271-R274 PolarHBondContact OE1-NH2 3.28Å; E271-R274 IonicContact OE2-CZ 2.74Å; E271-R274 IonicContact OE2-NE 3.45Å; E271-R274 PolarHBondContact OE2-NE 2.87Å; E271-R274 IonicContact OE2-NH2 3.43Å; E271-R274 PolarHBondContact OE2-NH2 3.32Å; L272-R274 VanDerWaalsContact C-N 3.33Å; L272-R274 PolarHBondContact O-N 2.9Å; R274-F276 PolarHBondContact O-N 3.31Å; R274-G277 PolarHBondContact O-N 3.38Å; R274-G277 VanDerWaalsContact O-N 3.13Å; R274-I278 HydrophobicContact CG-CD1 3.94Å; R274-I278 WeakPolarHBondContact O-CD1 3.35Å; R274-I278 WeakPolarHBondContact O-CG1 3.45Å; R274-I278 PolarHBondContact O-N 2.7Å; R274-G414 VanDerWaalsContact NH2-C 3.33Å; R274-G414 PolarHBondContact NH2-O 2.82Å; R274-D418 IonicContact NH1-OD1 2.66Å |
| 275 | C | 96.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.9 | -42.4 | 176.6 | -65.4 | 0 | 0 | 0 | 0 | 111.9 | E271 L272 I278 Y279 L410 Y413 G414 | E271-C275 PolarHBondContact O-N 3.37Å; E271-C275 PolarHBondContact O-SG 3.42Å; L272-C275 PolarHBondContact O-N 3.29Å; C275-I278 PolarHBondContact O-N 2.95Å; C275-Y279 PolarHBondContact O-N 3.06Å; C275-L410 HydrophobicContact CB-CD1 4Å; C275-L410 HydrophobicContact CB-CG 4.07Å; C275-L410 VanDerWaalsContact CB-O 3.3Å; C275-L410 WeakPolarHBondContact CB-O 3.22Å; C275-Y413 WeakPolarHBondContact O-CB 3.21Å; C275-G414 WeakPolarHBondContact SG-CA 3.46Å; C275-G414 PolarHBondContact SG-N 2.99Å; C275-G414 VanDerWaalsContact SG-N 3.42Å |
| 276 | F | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.4 | -39.5 | 179.1 | -162.7 | 177.6 | 0 | 0 | 0 | 112 | L272 L273 R274 I278 Y279 L280 L295 M325 F326 T329 L410 | L272-F276 VanDerWaalsContact O-CB 3.27Å; L272-F276 WeakPolarHBondContact O-CB 3.12Å; L272-F276 PolarHBondContact O-N 2.92Å; L273-F276 PolarHBondContact O-N 3.39Å; R274-F276 PolarHBondContact O-N 3.31Å; F276-I278 VanDerWaalsContact C-N 3.34Å; F276-I278 PolarHBondContact O-N 3.09Å; F276-Y279 HydrophobicContact CD2-CD1 4.1Å; F276-Y279 HydrophobicContact CE2-CD1 4.22Å; F276-Y279 WeakPolarHBondContact O-CB 3.32Å; F276-Y279 PolarHBondContact O-N 3.01Å; F276-L280 HydrophobicContact CD2-CG 4.33Å; F276-L280 HydrophobicContact CE2-CD1 4.4Å; F276-L280 HydrophobicContact CE2-CD2 4.43Å; F276-L280 HydrophobicContact CE2-CG 4.29Å; F276-L280 PolarHBondContact O-N 3.27Å; F276-L280 VanDerWaalsContact O-N 3.11Å; F276-L295 VanDerWaalsContact C-CD2 3.45Å; F276-L295 HydrophobicContact CB-CD2 3.6Å; F276-L295 HydrophobicContact CD1-CD2 3.86Å; F276-L295 HydrophobicContact CD2-CD2 3.86Å; F276-L295 HydrophobicContact CE1-CD2 4.49Å; F276-L295 HydrophobicContact CE2-CD2 4.47Å; F276-L295 HydrophobicContact CG-CD2 3.49Å; F276-L295 VanDerWaalsContact CG-CD2 3.49Å; F276-M325 HydrophobicContact CE1-CB 4.28Å; F276-M325 HydrophobicContact CE1-CE 4.47Å; F276-M325 HydrophobicContact CE1-CG 3.96Å; F276-M325 HydrophobicContact CE1-SD 4.17Å; F276-M325 HydrophobicContact CZ-CG 4.25Å; F276-F326 HydrophobicContact CD1-CB 4.47Å; F276-F326 AromaticContact CD2-CD2 3.93Å; F276-F326 HydrophobicContact CD2-CD2 3.93Å; F276-F326 HydrophobicContact CE1-CB 4.19Å; F276-F326 HydrophobicContact CE2-CB 4.39Å; F276-F326 AromaticContact CE2-CD2 3.92Å; F276-F326 HydrophobicContact CE2-CD2 3.92Å; F276-F326 HydrophobicContact CZ-CB 4.16Å; F276-T329 HydrophobicContact CE2-CG2 3.93Å; F276-T329 HydrophobicContact CZ-CG2 3.94Å; F276-L410 HydrophobicContact CB-CD1 3.91Å; F276-L410 HydrophobicContact CB-CD2 4.48Å; F276-L410 HydrophobicContact CG-CD1 4.36Å |
| 277 | G | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.8 | -44.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L273 R274 L280 Y281 P292 L295 | L273-G277 PolarHBondContact O-N 3.36Å; R274-G277 PolarHBondContact O-N 3.38Å; R274-G277 VanDerWaalsContact O-N 3.13Å; G277-L280 PolarHBondContact O-N 3.07Å; G277-Y281 WeakPolarHBondContact O-CB 3.26Å; G277-Y281 PolarHBondContact O-N 3.04Å; G277-P292 VanDerWaalsContact CA-O 3.32Å; G277-P292 WeakPolarHBondContact CA-O 3.42Å; G277-L295 VanDerWaalsContact N-CD2 3.32Å |
| 278 | I | 96.2 | Very high | 95 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65 | -41.2 | 177.9 | -66.6 | 158.3 | 0 | 0 | 0 | 111.1 | R274 C275 F276 L280 Y281 R282 P292 Y417 | R274-I278 HydrophobicContact CG-CD1 3.94Å; R274-I278 WeakPolarHBondContact O-CD1 3.35Å; R274-I278 WeakPolarHBondContact O-CG1 3.45Å; R274-I278 PolarHBondContact O-N 2.7Å; C275-I278 PolarHBondContact O-N 2.95Å; F276-I278 VanDerWaalsContact C-N 3.34Å; F276-I278 PolarHBondContact O-N 3.09Å; I278-L280 PolarHBondContact O-N 3.07Å; I278-Y281 PolarHBondContact O-N 3.42Å; I278-R282 HydrophobicContact CG2-CG 4.44Å; I278-R282 WeakPolarHBondContact O-CG 3.48Å; I278-R282 PolarHBondContact O-N 3.37Å; I278-P292 HydrophobicContact CG1-CB 4.24Å; I278-P292 HydrophobicContact CG1-CG 4.49Å; I278-Y417 HydrophobicContact CB-CD2 4.37Å; I278-Y417 HydrophobicContact CD1-CD1 3.69Å; I278-Y417 HydrophobicContact CD1-CD2 3.94Å; I278-Y417 HydrophobicContact CD1-CE1 4.39Å; I278-Y417 HydrophobicContact CD1-CG 3.42Å; I278-Y417 VanDerWaalsContact CD1-CG 3.42Å; I278-Y417 HydrophobicContact CG1-CD1 4.15Å; I278-Y417 HydrophobicContact CG1-CD2 3.75Å; I278-Y417 HydrophobicContact CG1-CE1 4.46Å; I278-Y417 HydrophobicContact CG1-CE2 4.09Å; I278-Y417 HydrophobicContact CG1-CG 3.79Å; I278-Y417 HydrophobicContact CG2-CD2 3.68Å; I278-Y417 HydrophobicContact CG2-CE2 4.4Å; I278-Y417 HydrophobicContact CG2-CG 4.18Å |
| 279 | Y | 97.2 | Very high | 95.1 | Very high | 12 Ų | 12 | 54.3 Ų | 54.3 | 5% | 0.047 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -53.2 | -52.6 | 173.1 | 165.6 | -103.7 | 0 | 0 | 0 | 111.4 | C275 F276 Y281 R282 K283 F326 R330 Y413 | C275-Y279 PolarHBondContact O-N 3.06Å; F276-Y279 HydrophobicContact CD2-CD1 4.1Å; F276-Y279 HydrophobicContact CE2-CD1 4.22Å; F276-Y279 WeakPolarHBondContact O-CB 3.32Å; F276-Y279 PolarHBondContact O-N 3.01Å; Y279-Y281 VanDerWaalsContact C-N 3.33Å; Y279-Y281 PolarHBondContact O-N 3.42Å; Y279-R282 PolarHBondContact O-N 3.03Å; Y279-K283 HydrophobicContact CE1-CD 4.14Å; Y279-K283 HydrophobicContact CE2-CD 4.38Å; Y279-K283 WeakPolarHBondContact O-CB 3.32Å; Y279-K283 PolarHBondContact O-N 3.48Å; Y279-K283 VanDerWaalsContact OH-CD 3.27Å; Y279-K283 WeakPolarHBondContact OH-CD 3.37Å; Y279-K283 WeakPolarHBondContact OH-CE 3.33Å; Y279-K283 PolarHBondContact OH-NZ 3.37Å; Y279-F326 HydrophobicContact CD1-CD2 4.19Å; Y279-F326 AromaticContact CD1-CE2 3.76Å; Y279-F326 HydrophobicContact CD1-CE2 3.76Å; Y279-F326 AromaticContact CD2-CE2 3.94Å; Y279-F326 HydrophobicContact CD2-CE2 3.94Å; Y279-F326 HydrophobicContact CE1-CD2 4.41Å; Y279-F326 AromaticContact CE1-CE2 3.92Å; Y279-F326 HydrophobicContact CE1-CE2 3.92Å; Y279-F326 HydrophobicContact CE2-CE2 4.06Å; Y279-F326 AromaticContact CG-CE2 3.77Å; Y279-F326 HydrophobicContact CG-CE2 3.77Å; Y279-R330 HydrophobicContact CE1-CB 4.01Å; Y279-R330 WeakPolarHBondContact OH-CA 3.34Å; Y279-R330 WeakPolarHBondContact OH-CB 3.31Å; Y279-R330 PolarHBondContact OH-O 2.88Å; Y279-Y413 HydrophobicContact CD2-CD2 4.19Å; Y279-Y413 AromaticContact CD2-CE1 3.97Å; Y279-Y413 HydrophobicContact CD2-CE1 3.97Å; Y279-Y413 AromaticContact CD2-CE2 3.54Å; Y279-Y413 HydrophobicContact CD2-CE2 3.54Å; Y279-Y413 AromaticContact CD2-CZ 3.43Å; Y279-Y413 VanDerWaalsContact CD2-CZ 3.43Å; Y279-Y413 WeakPolarHBondContact CD2-OH 3.37Å; Y279-Y413 HydrophobicContact CE2-CE2 4.33Å; Y279-Y413 HydrophobicContact CG-CE2 4.3Å |
| 280 | L | 97.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -40.1 | 179.9 | -67.7 | -179.3 | 0 | 0 | 0 | 111.9 | F276 G277 I278 R282 K283 C284 F290 L295 T329 V333 L343 V347 | F276-L280 HydrophobicContact CD2-CG 4.33Å; F276-L280 HydrophobicContact CE2-CD1 4.4Å; F276-L280 HydrophobicContact CE2-CD2 4.43Å; F276-L280 HydrophobicContact CE2-CG 4.29Å; F276-L280 PolarHBondContact O-N 3.27Å; F276-L280 VanDerWaalsContact O-N 3.11Å; G277-L280 PolarHBondContact O-N 3.07Å; I278-L280 PolarHBondContact O-N 3.07Å; L280-R282 VanDerWaalsContact C-N 3.32Å; L280-R282 PolarHBondContact O-N 3.05Å; L280-K283 PolarHBondContact O-N 3.49Å; L280-C284 WeakPolarHBondContact O-CB 3.43Å; L280-C284 PolarHBondContact O-N 3.49Å; L280-F290 HydrophobicContact CB-CE1 3.8Å; L280-F290 HydrophobicContact CB-CZ 4.06Å; L280-L295 HydrophobicContact CD1-CD1 3.81Å; L280-L295 HydrophobicContact CD1-CD2 3.98Å; L280-L295 HydrophobicContact CD1-CG 4.31Å; L280-T329 HydrophobicContact CD2-CG2 3.93Å; L280-V333 HydrophobicContact CD2-CB 4.47Å; L280-V333 HydrophobicContact CD2-CG1 4.34Å; L280-V333 HydrophobicContact CD2-CG2 4.13Å; L280-L343 HydrophobicContact CD1-CD1 4.41Å; L280-L343 HydrophobicContact CD2-CD1 4.28Å; L280-V347 HydrophobicContact CD1-CG2 3.87Å |
| 281 | Y | 95.2 | Very high | 95.1 | Very high | 105 Ų | 105 | 53.4 Ų | 53.4 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.1 | -41.9 | 178.3 | 174.2 | -97.6 | 0 | 0 | 0 | 111.9 | G277 I278 Y279 F290 P292 | G277-Y281 WeakPolarHBondContact O-CB 3.26Å; G277-Y281 PolarHBondContact O-N 3.04Å; I278-Y281 PolarHBondContact O-N 3.42Å; Y279-Y281 VanDerWaalsContact C-N 3.33Å; Y279-Y281 PolarHBondContact O-N 3.42Å; Y281-F290 HydrophobicContact CD2-CD1 4.2Å; Y281-F290 VanDerWaalsContact CD2-O 3.29Å; Y281-F290 WeakPolarHBondContact CD2-O 3.48Å; Y281-P292 HydrophobicContact CD1-CG 4.43Å; Y281-P292 HydrophobicContact CD2-CG 4.15Å; Y281-P292 HydrophobicContact CG-CG 3.86Å |
| 282 | R | 94.7 | Very high | 95.2 | Very high | 86 Ų | 86 | 51 Ų | 51 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -72.4 | -39.9 | 176.8 | -71.8 | 177.7 | 172.9 | -174.2 | -4.6 | 112.6 | I278 Y279 L280 E416 | I278-R282 HydrophobicContact CG2-CG 4.44Å; I278-R282 WeakPolarHBondContact O-CG 3.48Å; I278-R282 PolarHBondContact O-N 3.37Å; Y279-R282 PolarHBondContact O-N 3.03Å; L280-R282 VanDerWaalsContact C-N 3.32Å; L280-R282 PolarHBondContact O-N 3.05Å; R282-E416 IonicContact CZ-OE2 3.52Å; R282-E416 IonicContact NH1-OE2 3.49Å; R282-E416 PolarHBondContact NH1-OE2 3.17Å; R282-E416 VanDerWaalsContact NH2-CB 3.31Å; R282-E416 PolarHBondContact NH2-O 3.48Å; R282-E416 IonicContact NH2-OE2 3.62Å |
| 283 | K | 96 | Very high | 95.2 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 20% | 0.2 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.7 | -48.8 | -179.7 | -169.3 | 173.9 | -158.2 | -175.1 | 0 | 111.5 | Y279 L280 H285 R330 V333 P335 | Y279-K283 HydrophobicContact CE1-CD 4.14Å; Y279-K283 HydrophobicContact CE2-CD 4.38Å; Y279-K283 WeakPolarHBondContact O-CB 3.32Å; Y279-K283 PolarHBondContact O-N 3.48Å; Y279-K283 VanDerWaalsContact OH-CD 3.27Å; Y279-K283 WeakPolarHBondContact OH-CD 3.37Å; Y279-K283 WeakPolarHBondContact OH-CE 3.33Å; Y279-K283 PolarHBondContact OH-NZ 3.37Å; L280-K283 PolarHBondContact O-N 3.49Å; K283-H285 PolarHBondContact O-N 2.84Å; K283-H285 VanDerWaalsContact O-N 3.09Å; K283-H285 PolarHBondContact O-ND1 3.47Å; K283-R330 PolarHBondContact NZ-O 3.39Å; K283-V333 HydrophobicContact CD-CB 4.43Å; K283-V333 HydrophobicContact CD-CG1 4.17Å; K283-V333 WeakPolarHBondContact CE-O 3.12Å; K283-V333 PolarHBondContact NZ-O 3.2Å; K283-P335 HydrophobicContact CG-CB 4.45Å; K283-P335 WeakPolarHBondContact O-CA 3.37Å; K283-P335 WeakPolarHBondContact O-CB 3.45Å |
| 284 | C | 96.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 55.5 | -178.9 | -59.3 | 0 | 0 | 0 | 0 | 111.5 | L280 L286 L287 V333 | L280-C284 WeakPolarHBondContact O-CB 3.43Å; L280-C284 PolarHBondContact O-N 3.49Å; C284-L286 PolarHBondContact O-N 2.68Å; C284-L287 HydrophobicContact CB-CB 4.4Å; C284-L287 HydrophobicContact CB-CD1 3.57Å; C284-L287 HydrophobicContact CB-CG 3.85Å; C284-L287 WeakPolarHBondContact O-CB 3.47Å; C284-L287 PolarHBondContact O-N 2.89Å; C284-V333 WeakPolarHBondContact SG-CG1 3.5Å |
| 285 | H | 93.1 | Very high | 95.4 | Very high | 124 Ų | 124 | 55.4 Ų | 55.4 | 57% | 0.574 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -17.3 | -176.3 | 63.2 | -77.1 | 0 | 0 | 0 | 115 | K283 P335 | K283-H285 PolarHBondContact O-N 2.84Å; K283-H285 VanDerWaalsContact O-N 3.09Å; K283-H285 PolarHBondContact O-ND1 3.47Å; H285-P335 PolarHBondContact CE1-O 3.44Å; H285-P335 VanDerWaalsContact CE1-O 3.3Å; H285-P335 PolarHBondContact ND1-O 3.3Å |
| 286 | L | 95 | Very high | 95.4 | Very high | 86 Ų | 86 | 56.2 Ų | 56.2 | 45% | 0.45 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -18.8 | 174.5 | -58.4 | -178.6 | 0 | 0 | 0 | 113.4 | C284 K288 | C284-L286 PolarHBondContact O-N 2.68Å; L286-K288 PolarHBondContact O-N 2.98Å |
| 287 | L | 94.5 | Very high | 95.4 | Very high | 14 Ų | 14 | 60 Ų | 60 | 7% | 0.073 | 27% | 0.271 | C | S | . | . | trans | -83.1 | 77.1 | -178.2 | -59.3 | -176.5 | 0 | 0 | 0 | 111.8 | C284 R289 F290 S338 S339 L343 | C284-L287 HydrophobicContact CB-CB 4.4Å; C284-L287 HydrophobicContact CB-CD1 3.57Å; C284-L287 HydrophobicContact CB-CG 3.85Å; C284-L287 WeakPolarHBondContact O-CB 3.47Å; C284-L287 PolarHBondContact O-N 2.89Å; L287-R289 PolarHBondContact O-N 3.06Å; L287-F290 HydrophobicContact CB-CB 3.75Å; L287-F290 HydrophobicContact CD1-CB 4.25Å; L287-F290 PolarHBondContact O-N 2.83Å; L287-S338 WeakPolarHBondContact CD2-O 3.34Å; L287-S339 VanDerWaalsContact CD2-C 3.47Å; L287-L343 HydrophobicContact CD1-CB 4.07Å; L287-L343 HydrophobicContact CD1-CD2 3.67Å; L287-L343 HydrophobicContact CD1-CG 4.46Å | ||
| 288 | K | 89.7 | Confident | 95.5 | Very high | 203 Ų | 203 | 60.8 Ų | 60.8 | 88% | 0.883 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -18.4 | -176.1 | -61.9 | -173.9 | -178.8 | -178.2 | 0 | 115.7 | L286 | L286-K288 PolarHBondContact O-N 2.98Š|
| 289 | R | 91 | Very high | 95.6 | Very high | 228 Ų | 228 | 60.8 Ų | 60.8 | 86% | 0.86 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.5 | -7.8 | -176 | -66.1 | -174.4 | 179.5 | 176.6 | 1 | 114 | L287 N291 | L287-R289 PolarHBondContact O-N 3.06Å; R289-N291 PolarHBondContact O-N 2.95Å |
| 290 | F | 94.7 | Very high | 95.6 | Very high | 6 Ų | 6 | 65.2 Ų | 65.2 | 3% | 0.026 | 30% | 0.295 | C | S | . | . | trans | -69.9 | 125.4 | -178.9 | 172 | -115.5 | 0 | 0 | 0 | 110.1 | L280 Y281 L287 D294 W298 E340 L343 | L280-F290 HydrophobicContact CB-CE1 3.8Å; L280-F290 HydrophobicContact CB-CZ 4.06Å; Y281-F290 HydrophobicContact CD2-CD1 4.2Å; Y281-F290 VanDerWaalsContact CD2-O 3.29Å; Y281-F290 WeakPolarHBondContact CD2-O 3.48Å; L287-F290 HydrophobicContact CB-CB 3.75Å; L287-F290 HydrophobicContact CD1-CB 4.25Å; L287-F290 PolarHBondContact O-N 2.83Å; F290-D294 HydrophobicContact CD2-CB 4.36Å; F290-D294 HydrophobicContact CE2-CB 4Å; F290-W298 AromaticContact CD2-CH2 3.95Å; F290-W298 HydrophobicContact CD2-CH2 3.95Å; F290-W298 AromaticContact CE2-CH2 3.54Å; F290-W298 HydrophobicContact CE2-CH2 3.54Å; F290-W298 HydrophobicContact CE2-CZ2 4.29Å; F290-W298 AromaticContact CE2-CZ3 3.94Å; F290-W298 HydrophobicContact CE2-CZ3 3.94Å; F290-E340 HydrophobicContact CD2-CG 4.19Å; F290-L343 HydrophobicContact CD1-CD2 4.14Å; F290-L343 HydrophobicContact CD2-CD2 3.93Å; F290-L343 HydrophobicContact CE1-CD2 3.99Å; F290-L343 HydrophobicContact CE2-CD2 3.76Å; F290-L343 HydrophobicContact CG-CD2 4.11Å; F290-L343 HydrophobicContact CZ-CD2 3.79Å | ||
| 291 | N | 94.7 | Very high | 95.7 | Very high | 68 Ų | 68 | 72.7 Ų | 72.7 | 36% | 0.364 | 32% | 0.323 | S | S | . | . | trans | -96.6 | 131.1 | 173.6 | -176 | -25.7 | 0 | 0 | 0 | 109.2 | R289 Q293 D294 | R289-N291 PolarHBondContact O-N 2.95Å; N291-Q293 PolarHBondContact O-N 2.86Å; N291-Q293 WeakPolarHBondContact OD1-CB 3.45Å; N291-Q293 WeakPolarHBondContact OD1-CG 3.38Å; N291-Q293 PolarHBondContact OD1-N 2.79Å; N291-D294 VanDerWaalsContact CB-OD2 3.31Å; N291-D294 WeakPolarHBondContact CB-OD2 3.45Å; N291-D294 PolarHBondContact N-OD2 2.93Å; N291-D294 VanDerWaalsContact O-CB 3.31Å; N291-D294 WeakPolarHBondContact O-CB 3.35Å; N291-D294 PolarHBondContact O-N 2.91Å | ||
| 292 | P | 94.9 | Very high | 95.8 | Very high | 14 Ų | 14 | 68 Ų | 68 | 9% | 0.091 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -47 | -31.4 | 173.2 | -29.1 | 32.5 | 0 | 0 | 0 | 114.8 | G277 I278 Y281 D294 | G277-P292 VanDerWaalsContact CA-O 3.32Å; G277-P292 WeakPolarHBondContact CA-O 3.42Å; I278-P292 HydrophobicContact CG1-CB 4.24Å; I278-P292 HydrophobicContact CG1-CG 4.49Å; Y281-P292 HydrophobicContact CD1-CG 4.43Å; Y281-P292 HydrophobicContact CD2-CG 4.15Å; Y281-P292 HydrophobicContact CG-CG 3.86Å; P292-D294 VanDerWaalsContact C-N 3.29Å; P292-D294 PolarHBondContact O-N 2.94Å |
| 293 | Q | 96.1 | Very high | 96 | Very high | 133 Ų | 133 | 64.3 Ų | 64.3 | 62% | 0.621 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -69.8 | -23.4 | 179.3 | -63.8 | 178.4 | 1.9 | 0 | 0 | 113.5 | N291 L295 A296 I297 | N291-Q293 PolarHBondContact O-N 2.86Å; N291-Q293 WeakPolarHBondContact OD1-CB 3.45Å; N291-Q293 WeakPolarHBondContact OD1-CG 3.38Å; N291-Q293 PolarHBondContact OD1-N 2.79Å; Q293-L295 PolarHBondContact O-N 3.3Å; Q293-A296 PolarHBondContact O-N 3.44Å; Q293-A296 VanDerWaalsContact O-N 3.12Å; Q293-I297 PolarHBondContact O-N 2.89Å |
| 294 | D | 97.1 | Very high | 96.1 | Very high | 35 Ų | 35 | 67.9 Ų | 67.9 | 19% | 0.187 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -34 | -177.9 | -64 | -32.5 | 0 | 0 | 0 | 111.3 | F290 N291 P292 A296 I297 W298 | F290-D294 HydrophobicContact CD2-CB 4.36Å; F290-D294 HydrophobicContact CE2-CB 4Å; N291-D294 VanDerWaalsContact CB-OD2 3.31Å; N291-D294 WeakPolarHBondContact CB-OD2 3.45Å; N291-D294 PolarHBondContact N-OD2 2.93Å; N291-D294 VanDerWaalsContact O-CB 3.31Å; N291-D294 WeakPolarHBondContact O-CB 3.35Å; N291-D294 PolarHBondContact O-N 2.91Å; P292-D294 VanDerWaalsContact C-N 3.29Å; P292-D294 PolarHBondContact O-N 2.94Å; D294-A296 PolarHBondContact O-N 3.13Å; D294-I297 PolarHBondContact O-N 3.39Å; D294-W298 HydrophobicContact CB-CH2 4.38Å; D294-W298 HydrophobicContact CB-CZ2 3.79Å; D294-W298 VanDerWaalsContact O-CD1 3.31Å; D294-W298 VanDerWaalsContact O-CD2 3.31Å; D294-W298 PolarHBondContact O-N 2.91Å |
| 295 | L | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -53.9 | -53.4 | 172.6 | 176.2 | 65.8 | 0 | 0 | 0 | 110.9 | F276 G277 L280 Q293 I297 W298 L299 V347 | F276-L295 VanDerWaalsContact C-CD2 3.45Å; F276-L295 HydrophobicContact CB-CD2 3.6Å; F276-L295 HydrophobicContact CD1-CD2 3.86Å; F276-L295 HydrophobicContact CD2-CD2 3.86Å; F276-L295 HydrophobicContact CE1-CD2 4.49Å; F276-L295 HydrophobicContact CE2-CD2 4.47Å; F276-L295 HydrophobicContact CG-CD2 3.49Å; F276-L295 VanDerWaalsContact CG-CD2 3.49Å; G277-L295 VanDerWaalsContact N-CD2 3.32Å; L280-L295 HydrophobicContact CD1-CD1 3.81Å; L280-L295 HydrophobicContact CD1-CD2 3.98Å; L280-L295 HydrophobicContact CD1-CG 4.31Å; Q293-L295 PolarHBondContact O-N 3.3Å; L295-I297 VanDerWaalsContact C-N 3.27Å; L295-I297 PolarHBondContact O-N 2.82Å; L295-W298 PolarHBondContact O-N 3.43Å; L295-L299 HydrophobicContact CD1-CD1 3.96Å; L295-L299 HydrophobicContact CD1-CD2 4.4Å; L295-L299 HydrophobicContact CD1-CG 4.07Å; L295-L299 HydrophobicContact CG-CD1 4.16Å; L295-L299 HydrophobicContact CG-CG 4.47Å; L295-L299 WeakPolarHBondContact O-CG 3.22Å; L295-L299 PolarHBondContact O-N 3.35Å; L295-V347 HydrophobicContact CD1-CG1 3.55Å; L295-V347 HydrophobicContact CD1-CG2 4.39Å |
| 296 | A | 97.4 | Very high | 96.4 | Very high | 19 Ų | 19 | 63.9 Ų | 63.9 | 16% | 0.157 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60 | -40.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L273 Q293 D294 L299 Q300 | L273-A296 HydrophobicContact CB-CB 4.36Å; L273-A296 HydrophobicContact CD1-CB 4.45Å; Q293-A296 PolarHBondContact O-N 3.44Å; Q293-A296 VanDerWaalsContact O-N 3.12Å; D294-A296 PolarHBondContact O-N 3.13Å; A296-L299 PolarHBondContact O-N 2.63Å; A296-Q300 WeakPolarHBondContact O-CB 3.05Å; A296-Q300 WeakPolarHBondContact O-CG 3.02Å; A296-Q300 PolarHBondContact O-N 3.03Å |
| 297 | I | 97.9 | Very high | 96.5 | Very high | 78 Ų | 78 | 62.9 Ų | 62.9 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 177.5 | -64.5 | 170 | 0 | 0 | 0 | 111.2 | Q293 D294 L295 R301 | Q293-I297 PolarHBondContact O-N 2.89Å; D294-I297 PolarHBondContact O-N 3.39Å; L295-I297 VanDerWaalsContact C-N 3.27Å; L295-I297 PolarHBondContact O-N 2.82Å; I297-R301 WeakPolarHBondContact O-CB 3.41Å; I297-R301 PolarHBondContact O-N 3.04Å |
| 298 | W | 98.3 | Very high | 96.6 | Very high | 18 Ų | 18 | 67.1 Ų | 67.1 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 179.4 | -58.5 | -21.1 | 0 | 0 | 0 | 111.6 | F290 D294 L295 V302 E340 L343 Q344 V347 | F290-W298 AromaticContact CD2-CH2 3.95Å; F290-W298 HydrophobicContact CD2-CH2 3.95Å; F290-W298 AromaticContact CE2-CH2 3.54Å; F290-W298 HydrophobicContact CE2-CH2 3.54Å; F290-W298 HydrophobicContact CE2-CZ2 4.29Å; F290-W298 AromaticContact CE2-CZ3 3.94Å; F290-W298 HydrophobicContact CE2-CZ3 3.94Å; D294-W298 HydrophobicContact CB-CH2 4.38Å; D294-W298 HydrophobicContact CB-CZ2 3.79Å; D294-W298 VanDerWaalsContact O-CD1 3.31Å; D294-W298 VanDerWaalsContact O-CD2 3.31Å; D294-W298 PolarHBondContact O-N 2.91Å; L295-W298 PolarHBondContact O-N 3.43Å; W298-V302 PolarHBondContact O-N 2.91Å; W298-E340 HydrophobicContact CH2-CG 4.05Å; W298-E340 HydrophobicContact CZ2-CG 4.02Å; W298-L343 HydrophobicContact CH2-CD2 4.37Å; W298-L343 HydrophobicContact CH2-CG 4.44Å; W298-L343 HydrophobicContact CZ3-CD2 4.41Å; W298-L343 HydrophobicContact CZ3-CG 4.23Å; W298-Q344 VanDerWaalsContact CD1-NE2 3.29Å; W298-Q344 HydrophobicContact CD2-CB 4.25Å; W298-Q344 HydrophobicContact CD2-CG 3.68Å; W298-Q344 HydrophobicContact CE3-CB 4.15Å; W298-Q344 HydrophobicContact CE3-CG 3.93Å; W298-Q344 HydrophobicContact CG-CG 4.07Å; W298-Q344 HydrophobicContact CH2-CB 3.95Å; W298-Q344 HydrophobicContact CH2-CG 4.43Å; W298-Q344 HydrophobicContact CZ2-CB 4.06Å; W298-Q344 HydrophobicContact CZ2-CG 4.22Å; W298-Q344 HydrophobicContact CZ3-CB 4Å; W298-Q344 HydrophobicContact CZ3-CG 4.3Å; W298-V347 HydrophobicContact CE3-CG1 4.37Å |
| 299 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.6 | -48.4 | -178.3 | -57.6 | -174 | 0 | 0 | 0 | 111.8 | L273 L295 A296 R301 V302 D303 I317 L322 M325 V347 L348 F351 | L273-L299 HydrophobicContact CD2-CD1 3.85Å; L295-L299 HydrophobicContact CD1-CD1 3.96Å; L295-L299 HydrophobicContact CD1-CD2 4.4Å; L295-L299 HydrophobicContact CD1-CG 4.07Å; L295-L299 HydrophobicContact CG-CD1 4.16Å; L295-L299 HydrophobicContact CG-CG 4.47Å; L295-L299 WeakPolarHBondContact O-CG 3.22Å; L295-L299 PolarHBondContact O-N 3.35Å; A296-L299 PolarHBondContact O-N 2.63Å; L299-R301 VanDerWaalsContact C-N 3.29Å; L299-R301 PolarHBondContact O-N 3.06Å; L299-V302 PolarHBondContact O-N 3.36Å; L299-D303 PolarHBondContact O-N 3.34Å; L299-I317 HydrophobicContact CB-CD1 3.94Å; L299-L322 HydrophobicContact CD1-CD2 4.38Å; L299-M325 HydrophobicContact CD1-CE 4.18Å; L299-M325 HydrophobicContact CD1-SD 3.85Å; L299-M325 HydrophobicContact CD2-CE 3.57Å; L299-M325 HydrophobicContact CD2-SD 3.97Å; L299-V347 HydrophobicContact CD2-CG1 3.94Å; L299-L348 HydrophobicContact CD2-CD2 4.45Å; L299-F351 HydrophobicContact CB-CE1 4.07Å; L299-F351 HydrophobicContact CB-CZ 4.13Å; L299-F351 HydrophobicContact CD2-CB 4.18Å; L299-F351 HydrophobicContact CD2-CD1 3.67Å; L299-F351 HydrophobicContact CD2-CD2 4.19Å; L299-F351 HydrophobicContact CD2-CE1 3.95Å; L299-F351 HydrophobicContact CD2-CE2 4.44Å; L299-F351 HydrophobicContact CD2-CG 3.79Å; L299-F351 HydrophobicContact CD2-CZ 4.33Å; L299-F351 WeakPolarHBondContact O-CE1 3.39Å |
| 300 | Q | 98.1 | Very high | 97.2 | Very high | 105 Ų | 105 | 54.1 Ų | 54.1 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.2 | -35.9 | -179.5 | -72.2 | 175.6 | -16 | 0 | 0 | 112 | A296 V302 H304 I317 | A296-Q300 WeakPolarHBondContact O-CB 3.05Å; A296-Q300 WeakPolarHBondContact O-CG 3.02Å; A296-Q300 PolarHBondContact O-N 3.03Å; Q300-V302 VanDerWaalsContact C-N 3.34Å; Q300-V302 PolarHBondContact O-N 3.47Å; Q300-H304 WeakPolarHBondContact O-CB 3.49Å; Q300-H304 PolarHBondContact O-N 2.87Å; Q300-I317 HydrophobicContact CG-CD1 4.2Å |
| 301 | R | 98.2 | Very high | 97.3 | Very high | 157 Ų | 157 | 58.9 Ų | 58.9 | 59% | 0.592 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -59.3 | -45.8 | 175.4 | -179 | -177.7 | -62.7 | 179.8 | 1.3 | 111.5 | I297 L299 T305 | I297-R301 WeakPolarHBondContact O-CB 3.41Å; I297-R301 PolarHBondContact O-N 3.04Å; L299-R301 VanDerWaalsContact C-N 3.29Å; L299-R301 PolarHBondContact O-N 3.06Å; R301-T305 VanDerWaalsContact O-CB 3.32Å; R301-T305 WeakPolarHBondContact O-CB 3.34Å; R301-T305 PolarHBondContact O-N 3.43Å; R301-T305 PolarHBondContact O-OG1 3.3Å |
| 302 | V | 98.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.6 | -48.9 | -179.8 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | W298 L299 Q300 H304 T305 L306 L348 F351 P368 F369 | W298-V302 PolarHBondContact O-N 2.91Å; L299-V302 PolarHBondContact O-N 3.36Å; Q300-V302 VanDerWaalsContact C-N 3.34Å; Q300-V302 PolarHBondContact O-N 3.47Å; V302-H304 PolarHBondContact O-N 3.23Å; V302-T305 WeakPolarHBondContact O-CB 3.49Å; V302-T305 PolarHBondContact O-N 2.98Å; V302-T305 VanDerWaalsContact O-N 3.11Å; V302-L306 HydrophobicContact CG1-CD1 4.12Å; V302-L306 WeakPolarHBondContact O-CG 3.45Å; V302-L306 PolarHBondContact O-N 3.04Å; V302-L348 HydrophobicContact CG2-CD2 3.98Å; V302-F351 HydrophobicContact CB-CD1 4.19Å; V302-F351 HydrophobicContact CB-CE1 3.87Å; V302-F351 HydrophobicContact CG1-CD1 3.99Å; V302-F351 HydrophobicContact CG1-CE1 3.84Å; V302-P368 HydrophobicContact CG1-CB 3.9Å; V302-P368 HydrophobicContact CG2-CB 4.41Å; V302-P368 WeakPolarHBondContact CG2-O 3.28Å; V302-F369 HydrophobicContact CG1-CD1 3.89Å; V302-F369 HydrophobicContact CG1-CE1 3.54Å; V302-F369 HydrophobicContact CG1-CE2 4.31Å; V302-F369 HydrophobicContact CG1-CG 4.42Å; V302-F369 HydrophobicContact CG1-CZ 3.78Å |
| 303 | D | 98.3 | Very high | 97.3 | Very high | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -44.4 | 179.8 | -169 | 34.3 | 0 | 0 | 0 | 111.9 | L299 T305 L306 L307 Q312 T315 F316 I317 F351 Y355 | L299-D303 PolarHBondContact O-N 3.34Å; D303-T305 PolarHBondContact O-N 3.32Å; D303-L306 PolarHBondContact O-N 3.4Å; D303-L307 WeakPolarHBondContact O-CB 3.41Å; D303-L307 PolarHBondContact O-N 3.39Å; D303-Q312 PolarHBondContact O-NE2 2.75Å; D303-Q312 PolarHBondContact OD1-NE2 3.47Å; D303-T315 WeakPolarHBondContact OD2-CB 3.06Å; D303-F316 PolarHBondContact OD1-N 2.97Å; D303-I317 HydrophobicContact CB-CD1 3.61Å; D303-I317 HydrophobicContact CB-CG1 3.94Å; D303-I317 WeakPolarHBondContact OD2-CB 3.48Å; D303-I317 WeakPolarHBondContact OD2-CG1 3.41Å; D303-I317 PolarHBondContact OD2-N 2.76Å; D303-F351 HydrophobicContact CB-CZ 4.48Å; D303-Y355 VanDerWaalsContact CA-OH 3.29Å; D303-Y355 WeakPolarHBondContact CA-OH 3.4Å; D303-Y355 WeakPolarHBondContact CB-OH 3.46Å; D303-Y355 PolarHBondContact OD1-OH 3.02Å |
| 304 | H | 97.9 | Very high | 97.3 | Very high | 121 Ų | 121 | 60.9 Ų | 60.9 | 56% | 0.56 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -64.1 | -39.7 | 174.2 | 180 | -92.3 | 0 | 0 | 0 | 112.5 | Q300 V302 L307 V308 | Q300-H304 WeakPolarHBondContact O-CB 3.49Å; Q300-H304 PolarHBondContact O-N 2.87Å; V302-H304 PolarHBondContact O-N 3.23Å; H304-L307 PolarHBondContact O-N 2.83Å; H304-V308 VanDerWaalsContact CE1-CG2 3.42Å; H304-V308 WeakPolarHBondContact CE1-CG2 3.42Å; H304-V308 WeakPolarHBondContact O-CB 3.37Å; H304-V308 WeakPolarHBondContact O-CG2 3.29Å; H304-V308 PolarHBondContact O-N 2.91Å |
| 305 | T | 97.9 | Very high | 97.2 | Very high | 41 Ų | 41 | 63.1 Ų | 63.1 | 25% | 0.252 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 178.1 | -62.4 | 0 | 0 | 0 | 0 | 111.2 | R301 V302 D303 L307 Q309 P368 | R301-T305 VanDerWaalsContact O-CB 3.32Å; R301-T305 WeakPolarHBondContact O-CB 3.34Å; R301-T305 PolarHBondContact O-N 3.43Å; R301-T305 PolarHBondContact O-OG1 3.3Å; V302-T305 WeakPolarHBondContact O-CB 3.49Å; V302-T305 PolarHBondContact O-N 2.98Å; V302-T305 VanDerWaalsContact O-N 3.11Å; D303-T305 PolarHBondContact O-N 3.32Å; T305-L307 VanDerWaalsContact C-N 3.34Å; T305-Q309 HydrophobicContact CG2-CG 4.37Å; T305-Q309 VanDerWaalsContact O-CB 3.25Å; T305-Q309 WeakPolarHBondContact O-CB 3.39Å; T305-Q309 VanDerWaalsContact O-CG 3.24Å; T305-Q309 WeakPolarHBondContact O-CG 3.4Å; T305-Q309 PolarHBondContact O-N 3.04Å; T305-P368 HydrophobicContact CG2-CG 4.29Å |
| 306 | L | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 177.4 | -70.3 | 169.3 | 0 | 0 | 0 | 111.8 | V302 D303 G310 W311 Q312 Y355 Y364 P365 P368 F369 | V302-L306 HydrophobicContact CG1-CD1 4.12Å; V302-L306 WeakPolarHBondContact O-CG 3.45Å; V302-L306 PolarHBondContact O-N 3.04Å; D303-L306 PolarHBondContact O-N 3.4Å; L306-G310 PolarHBondContact O-N 3.26Å; L306-W311 HydrophobicContact CB-CB 4.33Å; L306-W311 HydrophobicContact CD2-CB 3.87Å; L306-W311 HydrophobicContact CD2-CG 4.12Å; L306-W311 PolarHBondContact O-N 3.42Å; L306-Q312 HydrophobicContact CB-CG 4.12Å; L306-Y355 HydrophobicContact CD1-CD1 4.17Å; L306-Y355 HydrophobicContact CD1-CE1 3.54Å; L306-Y355 HydrophobicContact CD1-CE2 4.12Å; L306-Y364 HydrophobicContact CD1-CD1 4.32Å; L306-P365 HydrophobicContact CD2-CG 3.58Å; L306-P368 HydrophobicContact CD2-CG 4.04Å; L306-P368 HydrophobicContact CG-CG 4.48Å; L306-F369 HydrophobicContact CD1-CE2 4.19Å; L306-F369 HydrophobicContact CD1-CZ 3.8Å |
| 307 | L | 97 | Very high | 97.2 | Very high | 66 Ų | 66 | 63.6 Ų | 63.6 | 35% | 0.346 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.6 | -51.6 | 177.9 | -173.7 | 66.8 | 0 | 0 | 0 | 111.7 | D303 H304 T305 Q309 G310 Q312 T315 | D303-L307 WeakPolarHBondContact O-CB 3.41Å; D303-L307 PolarHBondContact O-N 3.39Å; H304-L307 PolarHBondContact O-N 2.83Å; T305-L307 VanDerWaalsContact C-N 3.34Å; L307-Q309 VanDerWaalsContact C-N 3.3Å; L307-Q309 PolarHBondContact O-N 3.24Å; L307-G310 PolarHBondContact O-N 2.57Å; L307-Q312 HydrophobicContact CB-CG 4.4Å; L307-Q312 HydrophobicContact CD1-CG 4.33Å; L307-T315 HydrophobicContact CD2-CG2 4.2Å |
| 308 | V | 97.3 | Very high | 97 | Very high | 102 Ų | 102 | 61 Ų | 61 | 62% | 0.618 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -66.4 | -32 | -177.8 | 171 | 0 | 0 | 0 | 0 | 112.4 | H304 G310 | H304-V308 VanDerWaalsContact CE1-CG2 3.42Å; H304-V308 WeakPolarHBondContact CE1-CG2 3.42Å; H304-V308 WeakPolarHBondContact O-CB 3.37Å; H304-V308 WeakPolarHBondContact O-CG2 3.29Å; H304-V308 PolarHBondContact O-N 2.91Å; V308-G310 PolarHBondContact O-N 2.76Å |
| 309 | Q | 96.1 | Very high | 96.9 | Very high | 118 Ų | 118 | 61 Ų | 61 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -3.4 | 176 | -70.2 | 179 | -2.9 | 0 | 0 | 113.5 | T305 L307 | T305-Q309 HydrophobicContact CG2-CG 4.37Å; T305-Q309 VanDerWaalsContact O-CB 3.25Å; T305-Q309 WeakPolarHBondContact O-CB 3.39Å; T305-Q309 VanDerWaalsContact O-CG 3.24Å; T305-Q309 WeakPolarHBondContact O-CG 3.4Å; T305-Q309 PolarHBondContact O-N 3.04Å; L307-Q309 VanDerWaalsContact C-N 3.3Å; L307-Q309 PolarHBondContact O-N 3.24Å |
| 310 | G | 96.4 | Very high | 96.7 | Very high | 40 Ų | 40 | 61.1 Ų | 61.1 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 22.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L306 L307 V308 Q312 | L306-G310 PolarHBondContact O-N 3.26Å; L307-G310 PolarHBondContact O-N 2.57Å; V308-G310 PolarHBondContact O-N 2.76Å; G310-Q312 VanDerWaalsContact C-N 3.34Å |
| 311 | W | 96.6 | Very high | 96.6 | Very high | 106 Ų | 106 | 56.4 Ų | 56.4 | 40% | 0.402 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -78.1 | -19.4 | 173.8 | -74.8 | 103.1 | 0 | 0 | 0 | 113 | L306 E361 P365 | L306-W311 HydrophobicContact CB-CB 4.33Å; L306-W311 HydrophobicContact CD2-CB 3.87Å; L306-W311 HydrophobicContact CD2-CG 4.12Å; L306-W311 PolarHBondContact O-N 3.42Å; W311-E361 WeakPolarHBondContact O-CG 3.27Å; W311-P365 HydrophobicContact CD2-CB 4.4Å; W311-P365 HydrophobicContact CD2-CG 3.7Å; W311-P365 HydrophobicContact CE3-CG 4.26Å; W311-P365 HydrophobicContact CG-CG 3.91Å; W311-P365 HydrophobicContact CH2-CB 4.22Å; W311-P365 HydrophobicContact CZ2-CB 3.86Å; W311-P365 HydrophobicContact CZ2-CG 4.03Å |
| 312 | Q | 95.8 | Very high | 96.6 | Very high | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | trans | -145.4 | 152.4 | 176.9 | 62.6 | -177.5 | -1.5 | 0 | 0 | 110.3 | D303 L306 L307 G310 F314 E361 | D303-Q312 PolarHBondContact O-NE2 2.75Å; D303-Q312 PolarHBondContact OD1-NE2 3.47Å; L306-Q312 HydrophobicContact CB-CG 4.12Å; L307-Q312 HydrophobicContact CB-CG 4.4Å; L307-Q312 HydrophobicContact CD1-CG 4.33Å; G310-Q312 VanDerWaalsContact C-N 3.34Å; Q312-F314 WeakPolarHBondContact CG-O 3.49Å; Q312-F314 PolarHBondContact OE1-O 3.02Å; Q312-E361 HydrophobicContact CB-CG 4.15Å | ||
| 313 | D | 95.2 | Very high | 96.5 | Very high | 98 Ų | 98 | 48.7 Ų | 48.7 | 52% | 0.524 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -91 | -20 | 178.1 | -66.7 | -31 | 0 | 0 | 0 | 113.1 | R59 | R59-D313 IonicContact NH2-OD1 2.99Š|
| 314 | F | 94.3 | Very high | 96.5 | Very high | 153 Ų | 153 | 48.3 Ų | 48.3 | 67% | 0.671 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -134.7 | 155.2 | -178.5 | -54.9 | -82.3 | 0 | 0 | 0 | 111 | Q312 F316 | Q312-F314 WeakPolarHBondContact CG-O 3.49Å; Q312-F314 PolarHBondContact OE1-O 3.02Å; F314-F316 PolarHBondContact O-N 3.47Å |
| 315 | T | 95.7 | Very high | 96.5 | Very high | 82 Ų | 82 | 42.6 Ų | 42.6 | 50% | 0.503 | 23% | 0.227 | S | C | . | . | trans | -65.3 | 132.2 | 174.5 | 54 | 0 | 0 | 0 | 0 | 110.9 | D303 L307 I317 | D303-T315 WeakPolarHBondContact OD2-CB 3.06Å; L307-T315 HydrophobicContact CD2-CG2 4.2Å; T315-I317 VanDerWaalsContact C-N 3.34Å | ||
| 316 | F | 97.7 | Very high | 96.5 | Very high | 11 Ų | 11 | 40.7 Ų | 40.7 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -73.6 | -30.4 | 175.3 | 177.8 | -95.3 | 0 | 0 | 0 | 112 | D303 F314 N318 N321 F351 S354 Y355 M358 | D303-F316 PolarHBondContact OD1-N 2.97Å; F314-F316 PolarHBondContact O-N 3.47Å; F316-N318 PolarHBondContact O-N 2.96Å; F316-N318 PolarHBondContact O-ND2 3.45Å; F316-N321 HydrophobicContact CD1-CB 4.27Å; F316-N321 WeakPolarHBondContact CD2-ND2 3.49Å; F316-N321 HydrophobicContact CE1-CB 3.76Å; F316-N321 HydrophobicContact CE2-CB 4.31Å; F316-N321 VanDerWaalsContact CE2-ND2 3.31Å; F316-N321 WeakPolarHBondContact CE2-ND2 3.44Å; F316-N321 HydrophobicContact CZ-CB 3.77Å; F316-N321 PolarHBondContact O-ND2 3.27Å; F316-F351 HydrophobicContact CD1-CD2 4.43Å; F316-F351 AromaticContact CD1-CE2 3.62Å; F316-F351 HydrophobicContact CD1-CE2 3.62Å; F316-F351 HydrophobicContact CD1-CZ 4.26Å; F316-F351 HydrophobicContact CE1-CD2 4.22Å; F316-F351 AromaticContact CE1-CE2 3.79Å; F316-F351 HydrophobicContact CE1-CE2 3.79Å; F316-S354 VanDerWaalsContact CZ-C 3.46Å; F316-S354 WeakPolarHBondContact CZ-O 3.18Å; F316-Y355 HydrophobicContact CB-CD1 4.01Å; F316-Y355 HydrophobicContact CB-CE1 3.23Å; F316-Y355 HydrophobicContact CB-CE2 4.27Å; F316-Y355 WeakPolarHBondContact CB-OH 3.37Å; F316-Y355 HydrophobicContact CD1-CD1 4.37Å; F316-Y355 HydrophobicContact CD1-CD2 4.1Å; F316-Y355 HydrophobicContact CD1-CE1 4.1Å; F316-Y355 AromaticContact CD1-CE2 3.79Å; F316-Y355 HydrophobicContact CD1-CE2 3.79Å; F316-Y355 HydrophobicContact CD1-CG 4.4Å; F316-Y355 AromaticContact CD1-CZ 3.78Å; F316-Y355 AromaticContact CD2-CD1 3.77Å; F316-Y355 HydrophobicContact CD2-CD1 3.77Å; F316-Y355 AromaticContact CD2-CE1 3.91Å; F316-Y355 HydrophobicContact CD2-CE1 3.91Å; F316-Y355 HydrophobicContact CD2-CG 4.23Å; F316-Y355 HydrophobicContact CE1-CD2 4.28Å; F316-Y355 HydrophobicContact CE1-CE2 4.37Å; F316-Y355 HydrophobicContact CE2-CD1 4.36Å; F316-Y355 HydrophobicContact CE2-CG 4.42Å; F316-Y355 AromaticContact CG-CD1 3.79Å; F316-Y355 HydrophobicContact CG-CD1 3.79Å; F316-Y355 HydrophobicContact CG-CD2 4.34Å; F316-Y355 AromaticContact CG-CE1 3.48Å; F316-Y355 HydrophobicContact CG-CE1 3.48Å; F316-Y355 VanDerWaalsContact CG-CE1 3.48Å; F316-Y355 HydrophobicContact CG-CE2 4.06Å; F316-Y355 HydrophobicContact CG-CG 4.23Å; F316-Y355 AromaticContact CG-CZ 3.62Å; F316-M358 HydrophobicContact CE2-CB 3.81Å; F316-M358 HydrophobicContact CZ-CB 3.91Å |
| 317 | I | 97.7 | Very high | 96.5 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 9% | 0.092 | 22% | 0.215 | C | C | . | . | trans | -69.9 | 102.5 | -176.9 | -62.8 | 174.8 | 0 | 0 | 0 | 110.1 | T269 L273 L299 Q300 D303 T315 L322 F351 | T269-I317 HydrophobicContact CG2-CG2 3.56Å; L273-I317 HydrophobicContact CD1-CG2 4.23Å; L299-I317 HydrophobicContact CB-CD1 3.94Å; Q300-I317 HydrophobicContact CG-CD1 4.2Å; D303-I317 HydrophobicContact CB-CD1 3.61Å; D303-I317 HydrophobicContact CB-CG1 3.94Å; D303-I317 WeakPolarHBondContact OD2-CB 3.48Å; D303-I317 WeakPolarHBondContact OD2-CG1 3.41Å; D303-I317 PolarHBondContact OD2-N 2.76Å; T315-I317 VanDerWaalsContact C-N 3.34Å; I317-L322 HydrophobicContact CG2-CD1 4.12Å; I317-L322 HydrophobicContact CG2-CD2 4.19Å; I317-L322 HydrophobicContact CG2-CG 4.25Å; I317-F351 HydrophobicContact CD1-CZ 4.11Å; I317-F351 HydrophobicContact CG1-CE2 4.34Å; I317-F351 HydrophobicContact CG1-CZ 3.89Å | ||
| 318 | N | 94.8 | Very high | 96.5 | Very high | 23 Ų | 23 | 37.6 Ų | 37.6 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -142.8 | 168.6 | 172.9 | 67.8 | 59.9 | 0 | 0 | 0 | 109.6 | H216 F316 A320 N321 L322 | H216-N318 PolarHBondContact CE1-ND2 3.5Å; H216-N318 PolarHBondContact CE1-OD1 3.48Å; H216-N318 PolarHBondContact NE2-ND2 3.39Å; F316-N318 PolarHBondContact O-N 2.96Å; F316-N318 PolarHBondContact O-ND2 3.45Å; N318-A320 PolarHBondContact O-N 3.01Å; N318-A320 PolarHBondContact OD1-N 3.39Å; N318-A320 VanDerWaalsContact OD1-N 3.09Å; N318-N321 PolarHBondContact ND2-ND2 3.08Å; N318-N321 PolarHBondContact O-N 3.45Å; N318-N321 PolarHBondContact OD1-N 3.27Å; N318-L322 WeakPolarHBondContact O-CG 3.42Å; N318-L322 PolarHBondContact O-N 3.49Å |
| 319 | P | 94.9 | Very high | 96.5 | Very high | 19 Ų | 19 | 32.7 Ų | 32.7 | 12% | 0.123 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.4 | -48.3 | -176 | -31.3 | 39.4 | 0 | 0 | 0 | 114.3 | Y219 L272 N321 L322 I323 | Y219-P319 HydrophobicContact CD1-CB 4.08Å; Y219-P319 HydrophobicContact CD2-CB 3.81Å; Y219-P319 HydrophobicContact CE1-CB 3.61Å; Y219-P319 HydrophobicContact CE1-CG 3.83Å; Y219-P319 HydrophobicContact CE2-CB 3.31Å; Y219-P319 HydrophobicContact CE2-CG 4.29Å; Y219-P319 HydrophobicContact CG-CB 4.17Å; L272-P319 HydrophobicContact CD1-CB 3.53Å; L272-P319 HydrophobicContact CD1-CG 4.12Å; P319-N321 PolarHBondContact O-N 2.99Å; P319-L322 PolarHBondContact O-N 3.22Å; P319-I323 VanDerWaalsContact O-CG1 3.29Å; P319-I323 WeakPolarHBondContact O-CG1 3.34Å; P319-I323 PolarHBondContact O-N 2.88Å |
| 320 | A | 94.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P215 N318 I323 F324 F403 | P215-A320 HydrophobicContact CB-CB 3.88Å; P215-A320 WeakPolarHBondContact O-CB 3.49Å; N318-A320 PolarHBondContact O-N 3.01Å; N318-A320 PolarHBondContact OD1-N 3.39Å; N318-A320 VanDerWaalsContact OD1-N 3.09Å; A320-I323 PolarHBondContact O-N 3.03Å; A320-F324 PolarHBondContact O-N 2.96Å; A320-F403 HydrophobicContact CB-CZ 4.29Å |
| 321 | N | 97 | Very high | 96.4 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 3% | 0.032 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.3 | -32.6 | 178.9 | -71.4 | -10.2 | 0 | 0 | 0 | 112.4 | F316 N318 P319 F324 M325 M358 | F316-N321 HydrophobicContact CD1-CB 4.27Å; F316-N321 WeakPolarHBondContact CD2-ND2 3.49Å; F316-N321 HydrophobicContact CE1-CB 3.76Å; F316-N321 HydrophobicContact CE2-CB 4.31Å; F316-N321 VanDerWaalsContact CE2-ND2 3.31Å; F316-N321 WeakPolarHBondContact CE2-ND2 3.44Å; F316-N321 HydrophobicContact CZ-CB 3.77Å; F316-N321 PolarHBondContact O-ND2 3.27Å; N318-N321 PolarHBondContact ND2-ND2 3.08Å; N318-N321 PolarHBondContact O-N 3.45Å; N318-N321 PolarHBondContact OD1-N 3.27Å; P319-N321 PolarHBondContact O-N 2.99Å; N321-F324 PolarHBondContact O-N 3.06Å; N321-M325 WeakPolarHBondContact O-CB 3.27Å; N321-M325 PolarHBondContact O-N 3.19Å; N321-M358 WeakPolarHBondContact OD1-CE 3.35Å |
| 322 | L | 97.4 | Very high | 96.3 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67 | -39 | 172.7 | -73.1 | 175.1 | 0 | 0 | 0 | 112.1 | T269 L272 L273 L299 I317 N318 P319 M325 F326 | T269-L322 HydrophobicContact CG2-CD1 3.75Å; L272-L322 HydrophobicContact CB-CD1 3.91Å; L273-L322 HydrophobicContact CD2-CD1 4.17Å; L273-L322 HydrophobicContact CD2-CD2 3.66Å; L273-L322 HydrophobicContact CG-CD1 3.88Å; L273-L322 HydrophobicContact CG-CD2 4.31Å; L299-L322 HydrophobicContact CD1-CD2 4.38Å; I317-L322 HydrophobicContact CG2-CD1 4.12Å; I317-L322 HydrophobicContact CG2-CD2 4.19Å; I317-L322 HydrophobicContact CG2-CG 4.25Å; N318-L322 WeakPolarHBondContact O-CG 3.42Å; N318-L322 PolarHBondContact O-N 3.49Å; P319-L322 PolarHBondContact O-N 3.22Å; L322-M325 PolarHBondContact O-N 2.91Å; L322-F326 VanDerWaalsContact O-CB 3.3Å; L322-F326 WeakPolarHBondContact O-CB 3.29Å; L322-F326 PolarHBondContact O-N 3.06Å |
| 323 | I | 96.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.8 | -41.7 | 174.4 | -63.5 | -56.9 | 0 | 0 | 0 | 111.1 | L272 P319 A320 F326 M327 I396 F403 M406 I407 L410 | L272-I323 HydrophobicContact CD2-CD1 4.32Å; P319-I323 VanDerWaalsContact O-CG1 3.29Å; P319-I323 WeakPolarHBondContact O-CG1 3.34Å; P319-I323 PolarHBondContact O-N 2.88Å; A320-I323 PolarHBondContact O-N 3.03Å; I323-F326 PolarHBondContact O-N 3.25Å; I323-M327 PolarHBondContact O-N 3.43Å; I323-I396 HydrophobicContact CG2-CD1 4.2Å; I323-F403 HydrophobicContact CB-CE2 3.85Å; I323-F403 HydrophobicContact CB-CZ 4.33Å; I323-F403 HydrophobicContact CG1-CE2 4.49Å; I323-F403 HydrophobicContact CG1-CZ 4.49Å; I323-F403 HydrophobicContact CG2-CD2 3.8Å; I323-F403 HydrophobicContact CG2-CE2 3.58Å; I323-F403 HydrophobicContact CG2-CZ 4.27Å; I323-M406 HydrophobicContact CG2-CB 3.59Å; I323-I407 HydrophobicContact CD1-CB 4.33Å; I323-I407 HydrophobicContact CD1-CG1 3.72Å; I323-I407 HydrophobicContact CG1-CG1 3.65Å; I323-I407 HydrophobicContact CG2-CG1 4.09Å; I323-L410 HydrophobicContact CD1-CB 4.22Å; I323-L410 HydrophobicContact CD1-CD2 3.74Å |
| 324 | F | 97.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.9 | -47.8 | 173.2 | -177.1 | -85.4 | 0 | 0 | 0 | 111.9 | A320 N321 F326 M327 L328 Y357 M358 M393 I396 | A320-F324 PolarHBondContact O-N 2.96Å; N321-F324 PolarHBondContact O-N 3.06Å; F324-F326 VanDerWaalsContact C-N 3.34Å; F324-F326 PolarHBondContact O-N 3Å; F324-M327 HydrophobicContact CD2-CE 4.36Å; F324-M327 HydrophobicContact CE2-CE 4.21Å; F324-M327 WeakPolarHBondContact O-CB 3.48Å; F324-M327 PolarHBondContact O-N 3.44Å; F324-L328 HydrophobicContact CD1-CD1 4.15Å; F324-L328 HydrophobicContact CE1-CD1 3.51Å; F324-L328 HydrophobicContact CE1-CG 4.22Å; F324-L328 HydrophobicContact CZ-CD1 4.21Å; F324-L328 PolarHBondContact O-N 3Å; F324-Y357 HydrophobicContact CE1-CD1 4.41Å; F324-Y357 AromaticContact CE2-CD1 3.6Å; F324-Y357 HydrophobicContact CE2-CD1 3.6Å; F324-Y357 AromaticContact CE2-CE1 3.83Å; F324-Y357 HydrophobicContact CE2-CE1 3.83Å; F324-Y357 HydrophobicContact CE2-CG 4.42Å; F324-Y357 AromaticContact CZ-CD1 3.45Å; F324-Y357 HydrophobicContact CZ-CD1 3.45Å; F324-Y357 VanDerWaalsContact CZ-CD1 3.45Å; F324-Y357 HydrophobicContact CZ-CE1 4.09Å; F324-Y357 AromaticContact CZ-CG 3.86Å; F324-Y357 HydrophobicContact CZ-CG 3.86Å; F324-M358 HydrophobicContact CB-CG 4.18Å; F324-M358 HydrophobicContact CD1-CG 3.66Å; F324-M358 HydrophobicContact CD2-CG 3.71Å; F324-M358 HydrophobicContact CD2-SD 3.73Å; F324-M358 HydrophobicContact CE1-CG 3.89Å; F324-M358 HydrophobicContact CE2-CG 3.94Å; F324-M358 HydrophobicContact CE2-SD 3.95Å; F324-M358 HydrophobicContact CG-CG 3.57Å; F324-M358 HydrophobicContact CG-SD 4.15Å; F324-M358 HydrophobicContact CZ-CG 4.02Å; F324-M393 HydrophobicContact CE1-CE 4.25Å; F324-M393 HydrophobicContact CE2-CB 4.03Å; F324-M393 HydrophobicContact CE2-CG 4.25Å; F324-M393 HydrophobicContact CZ-CB 3.92Å; F324-M393 HydrophobicContact CZ-CE 3.69Å; F324-M393 HydrophobicContact CZ-CG 3.75Å; F324-I396 HydrophobicContact CD2-CG2 3.54Å; F324-I396 HydrophobicContact CE2-CG2 3.8Å |
| 325 | M | 97.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.6 | -39 | 178.9 | -175.5 | -179.9 | 174.3 | 0 | 0 | 112 | F276 L299 N321 L322 M327 L328 T329 V347 C350 F351 | F276-M325 HydrophobicContact CE1-CB 4.28Å; F276-M325 HydrophobicContact CE1-CE 4.47Å; F276-M325 HydrophobicContact CE1-CG 3.96Å; F276-M325 HydrophobicContact CE1-SD 4.17Å; F276-M325 HydrophobicContact CZ-CG 4.25Å; L299-M325 HydrophobicContact CD1-CE 4.18Å; L299-M325 HydrophobicContact CD1-SD 3.85Å; L299-M325 HydrophobicContact CD2-CE 3.57Å; L299-M325 HydrophobicContact CD2-SD 3.97Å; N321-M325 WeakPolarHBondContact O-CB 3.27Å; N321-M325 PolarHBondContact O-N 3.19Å; L322-M325 PolarHBondContact O-N 2.91Å; M325-M327 VanDerWaalsContact C-N 3.34Å; M325-L328 PolarHBondContact O-N 2.91Å; M325-T329 WeakPolarHBondContact O-CB 3.39Å; M325-T329 PolarHBondContact O-N 3.33Å; M325-T329 PolarHBondContact O-OG1 3.4Å; M325-V347 HydrophobicContact CE-CG1 3.74Å; M325-V347 VanDerWaalsContact CE-O 3.27Å; M325-V347 WeakPolarHBondContact CE-O 3.39Å; M325-C350 HydrophobicContact CE-CB 4.45Å; M325-F351 HydrophobicContact CE-CB 3.7Å; M325-F351 HydrophobicContact CE-CD2 4.21Å; M325-F351 HydrophobicContact CE-CG 4.2Å; M325-F351 HydrophobicContact SD-CB 4.08Å; M325-F351 HydrophobicContact SD-CD2 3.44Å; M325-F351 WeakPolarHBondContact SD-CD2 3.34Å; M325-F351 HydrophobicContact SD-CE2 4.11Å; M325-F351 HydrophobicContact SD-CG 4.03Å |
| 326 | F | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58 | -47.2 | 173.9 | 169.5 | -109.2 | 0 | 0 | 0 | 110.8 | F276 Y279 L322 I323 F324 L328 T329 R330 M406 E409 L410 | F276-F326 HydrophobicContact CD1-CB 4.47Å; F276-F326 AromaticContact CD2-CD2 3.93Å; F276-F326 HydrophobicContact CD2-CD2 3.93Å; F276-F326 HydrophobicContact CE1-CB 4.19Å; F276-F326 HydrophobicContact CE2-CB 4.39Å; F276-F326 AromaticContact CE2-CD2 3.92Å; F276-F326 HydrophobicContact CE2-CD2 3.92Å; F276-F326 HydrophobicContact CZ-CB 4.16Å; Y279-F326 HydrophobicContact CD1-CD2 4.19Å; Y279-F326 AromaticContact CD1-CE2 3.76Å; Y279-F326 HydrophobicContact CD1-CE2 3.76Å; Y279-F326 AromaticContact CD2-CE2 3.94Å; Y279-F326 HydrophobicContact CD2-CE2 3.94Å; Y279-F326 HydrophobicContact CE1-CD2 4.41Å; Y279-F326 AromaticContact CE1-CE2 3.92Å; Y279-F326 HydrophobicContact CE1-CE2 3.92Å; Y279-F326 HydrophobicContact CE2-CE2 4.06Å; Y279-F326 AromaticContact CG-CE2 3.77Å; Y279-F326 HydrophobicContact CG-CE2 3.77Å; L322-F326 VanDerWaalsContact O-CB 3.3Å; L322-F326 WeakPolarHBondContact O-CB 3.29Å; L322-F326 PolarHBondContact O-N 3.06Å; I323-F326 PolarHBondContact O-N 3.25Å; F324-F326 VanDerWaalsContact C-N 3.34Å; F324-F326 PolarHBondContact O-N 3Å; F326-L328 VanDerWaalsContact C-N 3.29Å; F326-L328 PolarHBondContact O-N 3.18Å; F326-T329 PolarHBondContact O-N 3.31Å; F326-R330 HydrophobicContact CE2-CB 4.17Å; F326-R330 HydrophobicContact CZ-CB 4.35Å; F326-R330 VanDerWaalsContact O-CB 3.28Å; F326-R330 WeakPolarHBondContact O-CB 3.14Å; F326-R330 VanDerWaalsContact O-CG 3.25Å; F326-R330 WeakPolarHBondContact O-CG 3.41Å; F326-R330 PolarHBondContact O-N 3.35Å; F326-M406 HydrophobicContact CD1-CB 4.44Å; F326-M406 HydrophobicContact CE1-SD 4.49Å; F326-E409 HydrophobicContact CE1-CB 4.22Å; F326-E409 HydrophobicContact CE1-CG 4.14Å; F326-E409 HydrophobicContact CZ-CB 4.47Å; F326-E409 HydrophobicContact CZ-CG 3.93Å; F326-L410 HydrophobicContact CB-CD2 4.15Å; F326-L410 HydrophobicContact CD1-CB 4.06Å; F326-L410 HydrophobicContact CD2-CD1 3.69Å; F326-L410 HydrophobicContact CE1-CB 4.12Å; F326-L410 HydrophobicContact CE2-CD1 3.89Å; F326-L410 HydrophobicContact CG-CB 4.32Å; F326-L410 HydrophobicContact CG-CD1 4.06Å; F326-L410 HydrophobicContact CG-CD2 4.21Å; F326-L410 HydrophobicContact CG-CG 4.44Å; F326-L410 HydrophobicContact CZ-CB 4.43Å; F326-L410 HydrophobicContact CZ-CD1 4.42Å |
| 327 | M | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -56.8 | -39.5 | 176.5 | 178 | -78.6 | -65 | 0 | 0 | 112.7 | I323 F324 M325 R330 N392 M393 I396 F402 M406 | I323-M327 PolarHBondContact O-N 3.43Å; F324-M327 HydrophobicContact CD2-CE 4.36Å; F324-M327 HydrophobicContact CE2-CE 4.21Å; F324-M327 WeakPolarHBondContact O-CB 3.48Å; F324-M327 PolarHBondContact O-N 3.44Å; M325-M327 VanDerWaalsContact C-N 3.34Å; M327-R330 WeakPolarHBondContact O-CG 3.27Å; M327-N392 HydrophobicContact CE-CB 4.25Å; M327-N392 HydrophobicContact SD-CB 3.51Å; M327-N392 VanDerWaalsContact SD-CB 3.51Å; M327-M393 HydrophobicContact CE-CB 4.41Å; M327-M393 HydrophobicContact CE-CG 3.97Å; M327-I396 HydrophobicContact CB-CD1 3.84Å; M327-I396 HydrophobicContact CE-CD1 4.49Å; M327-I396 HydrophobicContact CE-CG2 4.01Å; M327-I396 HydrophobicContact CG-CD1 4.13Å; M327-F402 HydrophobicContact CG-CE1 4.22Å; M327-F402 HydrophobicContact CG-CZ 4.15Å; M327-M406 HydrophobicContact CB-CG 4.17Å; M327-M406 HydrophobicContact CB-SD 4.09Å; M327-M406 HydrophobicContact CG-CG 4.4Å; M327-M406 HydrophobicContact CG-SD 4.13Å |
| 328 | L | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -72.4 | -47.3 | 175.4 | -74.7 | 178.4 | 0 | 0 | 0 | 112.5 | F324 M325 F326 R330 E331 A332 C350 L353 M393 | F324-L328 HydrophobicContact CD1-CD1 4.15Å; F324-L328 HydrophobicContact CE1-CD1 3.51Å; F324-L328 HydrophobicContact CE1-CG 4.22Å; F324-L328 HydrophobicContact CZ-CD1 4.21Å; F324-L328 PolarHBondContact O-N 3Å; M325-L328 PolarHBondContact O-N 2.91Å; F326-L328 VanDerWaalsContact C-N 3.29Å; F326-L328 PolarHBondContact O-N 3.18Å; L328-R330 VanDerWaalsContact C-N 3.32Å; L328-R330 PolarHBondContact O-N 3.42Å; L328-E331 PolarHBondContact O-N 2.96Å; L328-A332 WeakPolarHBondContact O-CB 3.46Å; L328-A332 PolarHBondContact O-N 3.24Å; L328-C350 HydrophobicContact CB-CB 4.32Å; L328-L353 HydrophobicContact CD1-CB 4.25Å; L328-M393 HydrophobicContact CD1-CE 4.4Å; L328-M393 HydrophobicContact CD2-CG 3.67Å; L328-M393 HydrophobicContact CD2-SD 3.95Å; L328-M393 HydrophobicContact CG-CG 4.39Å |
| 329 | T | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.6 | -34 | -172.5 | -52.3 | 0 | 0 | 0 | 0 | 111.4 | F276 L280 M325 F326 E331 A332 V333 V347 C350 | F276-T329 HydrophobicContact CE2-CG2 3.93Å; F276-T329 HydrophobicContact CZ-CG2 3.94Å; L280-T329 HydrophobicContact CD2-CG2 3.93Å; M325-T329 WeakPolarHBondContact O-CB 3.39Å; M325-T329 PolarHBondContact O-N 3.33Å; M325-T329 PolarHBondContact O-OG1 3.4Å; F326-T329 PolarHBondContact O-N 3.31Å; T329-E331 PolarHBondContact O-N 3.27Å; T329-A332 PolarHBondContact O-N 2.95Å; T329-V333 HydrophobicContact CG2-CG2 3.63Å; T329-V333 WeakPolarHBondContact O-CB 3.45Å; T329-V333 WeakPolarHBondContact O-CG2 3.44Å; T329-V333 PolarHBondContact O-N 3.38Å; T329-V347 HydrophobicContact CG2-CG2 4.09Å; T329-C350 WeakPolarHBondContact OG1-CB 3.43Å |
| 330 | R | 96.9 | Very high | 95.7 | Very high | 56 Ų | 56 | 28.6 Ų | 28.6 | 21% | 0.211 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.7 | -25.6 | 177.2 | 72.2 | 172.4 | -65.7 | -158.2 | 5.4 | 113.1 | Y279 K283 F326 M327 L328 M406 E409 | Y279-R330 HydrophobicContact CE1-CB 4.01Å; Y279-R330 WeakPolarHBondContact OH-CA 3.34Å; Y279-R330 WeakPolarHBondContact OH-CB 3.31Å; Y279-R330 PolarHBondContact OH-O 2.88Å; K283-R330 PolarHBondContact NZ-O 3.39Å; F326-R330 HydrophobicContact CE2-CB 4.17Å; F326-R330 HydrophobicContact CZ-CB 4.35Å; F326-R330 VanDerWaalsContact O-CB 3.28Å; F326-R330 WeakPolarHBondContact O-CB 3.14Å; F326-R330 VanDerWaalsContact O-CG 3.25Å; F326-R330 WeakPolarHBondContact O-CG 3.41Å; F326-R330 PolarHBondContact O-N 3.35Å; M327-R330 WeakPolarHBondContact O-CG 3.27Å; L328-R330 VanDerWaalsContact C-N 3.32Å; L328-R330 PolarHBondContact O-N 3.42Å; R330-M406 PolarHBondContact NH1-SD 3.3Å; R330-E409 IonicContact CZ-OE1 3.62Å; R330-E409 IonicContact CZ-OE2 2.68Å; R330-E409 IonicContact NE-OE1 3.45Å; R330-E409 PolarHBondContact NE-OE1 3.28Å; R330-E409 IonicContact NE-OE2 2.89Å; R330-E409 IonicContact NH1-OE1 3.86Å; R330-E409 IonicContact NH1-OE2 2.67Å; R330-E409 PolarHBondContact NH1-OE2 3.23Å; R330-E409 IonicContact NH2-OE1 3.53Å; R330-E409 PolarHBondContact NH2-OE1 3Å; R330-E409 IonicContact NH2-OE2 3.09Å; R330-E409 PolarHBondContact NH2-OE2 3.25Å |
| 331 | E | 93.1 | Very high | 95.7 | Very high | 77 Ų | 77 | 31.6 Ų | 31.6 | 36% | 0.36 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -90.7 | -36.6 | 176 | -60.1 | -62.7 | 160 | 0 | 0 | 110.8 | L328 T329 Y389 | L328-E331 PolarHBondContact O-N 2.96Å; T329-E331 PolarHBondContact O-N 3.27Å; E331-Y389 HydrophobicContact CB-CD1 3.8Å; E331-Y389 HydrophobicContact CB-CD2 4.32Å; E331-Y389 HydrophobicContact CB-CE1 3.27Å; E331-Y389 HydrophobicContact CB-CE2 3.83Å; E331-Y389 HydrophobicContact CB-CG 4.31Å; E331-Y389 HydrophobicContact CG-CD1 3.96Å; E331-Y389 HydrophobicContact CG-CE1 3.74Å; E331-Y389 PolarHBondContact O-OH 3.15Å |
| 332 | A | 95.4 | Very high | 95.6 | Very high | 13 Ų | 13 | 35.1 Ų | 35.1 | 11% | 0.107 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -70 | -36.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | L328 T329 I346 L385 | L328-A332 WeakPolarHBondContact O-CB 3.46Å; L328-A332 PolarHBondContact O-N 3.24Å; T329-A332 PolarHBondContact O-N 2.95Å; A332-I346 HydrophobicContact CB-CG2 3.68Å; A332-L385 HydrophobicContact CB-CD2 3.47Å; A332-L385 VanDerWaalsContact CB-CD2 3.47Å |
| 333 | V | 96.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | trans | -85.9 | 122.1 | -173.4 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | L280 K283 C284 T329 L337 L343 I346 | L280-V333 HydrophobicContact CD2-CB 4.47Å; L280-V333 HydrophobicContact CD2-CG1 4.34Å; L280-V333 HydrophobicContact CD2-CG2 4.13Å; K283-V333 HydrophobicContact CD-CB 4.43Å; K283-V333 HydrophobicContact CD-CG1 4.17Å; K283-V333 WeakPolarHBondContact CE-O 3.12Å; K283-V333 PolarHBondContact NZ-O 3.2Å; C284-V333 WeakPolarHBondContact SG-CG1 3.5Å; T329-V333 HydrophobicContact CG2-CG2 3.63Å; T329-V333 WeakPolarHBondContact O-CB 3.45Å; T329-V333 WeakPolarHBondContact O-CG2 3.44Å; T329-V333 PolarHBondContact O-N 3.38Å; V333-L337 HydrophobicContact CG1-CD2 4.43Å; V333-L343 HydrophobicContact CG1-CD1 3.93Å; V333-L343 HydrophobicContact CG2-CD1 3.92Å; V333-I346 HydrophobicContact CG2-CB 4.47Å; V333-I346 HydrophobicContact CG2-CG2 3.73Å | ||
| 334 | V | 94.8 | Very high | 95.6 | Very high | 70 Ų | 70 | 36.7 Ų | 36.7 | 42% | 0.424 | 21% | 0.21 | S | C | . | . | trans | -88.4 | 145.9 | 175 | -65 | 0 | 0 | 0 | 0 | 111.8 | T336 L337 | V334-T336 PolarHBondContact O-N 3.14Å; V334-L337 HydrophobicContact CG2-CB 4.28Å; V334-L337 HydrophobicContact CG2-CD1 4.38Å; V334-L337 WeakPolarHBondContact O-CB 3.3Å; V334-L337 PolarHBondContact O-N 3.36Å | ||
| 335 | P | 93.9 | Very high | 95.6 | Very high | 62 Ų | 62 | 39.2 Ų | 39.2 | 40% | 0.403 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -20.1 | 179.5 | 28.2 | -35 | 0 | 0 | 0 | 113.6 | K283 H285 L337 | K283-P335 HydrophobicContact CG-CB 4.45Å; K283-P335 WeakPolarHBondContact O-CA 3.37Å; K283-P335 WeakPolarHBondContact O-CB 3.45Å; H285-P335 PolarHBondContact CE1-O 3.44Å; H285-P335 VanDerWaalsContact CE1-O 3.3Å; H285-P335 PolarHBondContact ND1-O 3.3Å; P335-L337 PolarHBondContact O-N 2.84Å |
| 336 | T | 94.1 | Very high | 95.5 | Very high | 102 Ų | 102 | 40.1 Ų | 40.1 | 63% | 0.626 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 5.7 | 179 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | V334 S338 | V334-T336 PolarHBondContact O-N 3.14Å; T336-S338 PolarHBondContact O-N 3.34Å |
| 337 | L | 93.9 | Very high | 95.5 | Very high | 5 Ų | 5 | 40.1 Ų | 40.1 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | trans | -64.8 | 123.8 | -179.1 | -162.2 | 68.9 | 0 | 0 | 0 | 111.1 | V333 V334 P335 E342 L343 I346 | V333-L337 HydrophobicContact CG1-CD2 4.43Å; V334-L337 HydrophobicContact CG2-CB 4.28Å; V334-L337 HydrophobicContact CG2-CD1 4.38Å; V334-L337 WeakPolarHBondContact O-CB 3.3Å; V334-L337 PolarHBondContact O-N 3.36Å; P335-L337 PolarHBondContact O-N 2.84Å; L337-E342 HydrophobicContact CD1-CB 3.89Å; L337-E342 HydrophobicContact CD1-CG 3.64Å; L337-E342 HydrophobicContact CG-CB 4.44Å; L337-L343 HydrophobicContact CD2-CB 3.6Å; L337-L343 HydrophobicContact CD2-CD1 3.91Å; L337-L343 HydrophobicContact CD2-CG 4.33Å; L337-I346 HydrophobicContact CD1-CD1 4.1Å; L337-I346 HydrophobicContact CD2-CD1 4.23Å | ||
| 338 | S | 89.6 | Confident | 95.5 | Very high | 94 Ų | 94 | 40.4 Ų | 40.4 | 66% | 0.657 | 23% | 0.226 | S | C | * | . | trans | -108.4 | -6.1 | -172 | 59.7 | 0 | 0 | 0 | 0 | 114.4 | L287 T336 | L287-S338 WeakPolarHBondContact CD2-O 3.34Å; T336-S338 PolarHBondContact O-N 3.34Å | ||
| 339 | S | 94.1 | Very high | 95.6 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 29% | 0.287 | 23% | 0.226 | S | C | . | . | trans | -124.3 | 129.8 | -180 | 178.3 | 0 | 0 | 0 | 0 | 112.9 | L287 S341 E342 L343 | L287-S339 VanDerWaalsContact CD2-C 3.47Å; S339-S341 VanDerWaalsContact C-N 3.31Å; S339-S341 PolarHBondContact O-N 3.15Å; S339-S341 PolarHBondContact OG-N 2.9Å; S339-E342 WeakPolarHBondContact O-CB 3.38Å; S339-E342 PolarHBondContact O-N 3.21Å; S339-E342 PolarHBondContact OG-N 2.79Å; S339-L343 PolarHBondContact O-N 3.08Å | ||
| 340 | E | 95.4 | Very high | 95.6 | Very high | 67 Ų | 67 | 40.4 Ų | 40.4 | 31% | 0.313 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.9 | -36.8 | 173.3 | -172.4 | -172.9 | 145.1 | 0 | 0 | 111.5 | F290 W298 E342 L343 Q344 | F290-E340 HydrophobicContact CD2-CG 4.19Å; W298-E340 HydrophobicContact CH2-CG 4.05Å; W298-E340 HydrophobicContact CZ2-CG 4.02Å; E340-E342 VanDerWaalsContact C-N 3.26Å; E340-E342 PolarHBondContact O-N 3.38Å; E340-L343 WeakPolarHBondContact O-CB 3.25Å; E340-L343 PolarHBondContact O-N 3.39Å; E340-Q344 PolarHBondContact O-N 2.89Å |
| 341 | S | 94.3 | Very high | 95.7 | Very high | 63 Ų | 63 | 37.8 Ų | 37.8 | 44% | 0.441 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.8 | -33.5 | 174.9 | -50 | 0 | 0 | 0 | 0 | 111.7 | S339 R345 | S339-S341 VanDerWaalsContact C-N 3.31Å; S339-S341 PolarHBondContact O-N 3.15Å; S339-S341 PolarHBondContact OG-N 2.9Å; S341-R345 VanDerWaalsContact O-CG 3.23Å; S341-R345 WeakPolarHBondContact O-CG 3.29Å; S341-R345 PolarHBondContact O-N 3Å; S341-R345 VanDerWaalsContact O-N 3.13Å; S341-R345 PolarHBondContact O-NE 3.3Å; S341-R345 VanDerWaalsContact O-NE 3.11Å |
| 342 | E | 94.8 | Very high | 95.9 | Very high | 81 Ų | 81 | 34.2 Ų | 34.2 | 38% | 0.379 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71.1 | -40 | 173.2 | -161.1 | 177.6 | 173.2 | 0 | 0 | 112.2 | L337 S339 E340 Q344 R345 I346 | L337-E342 HydrophobicContact CD1-CB 3.89Å; L337-E342 HydrophobicContact CD1-CG 3.64Å; L337-E342 HydrophobicContact CG-CB 4.44Å; S339-E342 WeakPolarHBondContact O-CB 3.38Å; S339-E342 PolarHBondContact O-N 3.21Å; S339-E342 PolarHBondContact OG-N 2.79Å; E340-E342 VanDerWaalsContact C-N 3.26Å; E340-E342 PolarHBondContact O-N 3.38Å; E342-Q344 PolarHBondContact O-N 3.34Å; E342-R345 PolarHBondContact O-N 2.84Å; E342-I346 HydrophobicContact CG-CD1 4.4Å; E342-I346 WeakPolarHBondContact O-CG1 3.49Å; E342-I346 PolarHBondContact O-N 2.8Å |
| 343 | L | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.8 | -49.8 | 172.9 | -179.9 | 59.3 | 0 | 0 | 0 | 111 | L280 L287 F290 W298 V333 L337 S339 E340 R345 I346 V347 | L280-L343 HydrophobicContact CD1-CD1 4.41Å; L280-L343 HydrophobicContact CD2-CD1 4.28Å; L287-L343 HydrophobicContact CD1-CB 4.07Å; L287-L343 HydrophobicContact CD1-CD2 3.67Å; L287-L343 HydrophobicContact CD1-CG 4.46Å; F290-L343 HydrophobicContact CD1-CD2 4.14Å; F290-L343 HydrophobicContact CD2-CD2 3.93Å; F290-L343 HydrophobicContact CE1-CD2 3.99Å; F290-L343 HydrophobicContact CE2-CD2 3.76Å; F290-L343 HydrophobicContact CG-CD2 4.11Å; F290-L343 HydrophobicContact CZ-CD2 3.79Å; W298-L343 HydrophobicContact CH2-CD2 4.37Å; W298-L343 HydrophobicContact CH2-CG 4.44Å; W298-L343 HydrophobicContact CZ3-CD2 4.41Å; W298-L343 HydrophobicContact CZ3-CG 4.23Å; V333-L343 HydrophobicContact CG1-CD1 3.93Å; V333-L343 HydrophobicContact CG2-CD1 3.92Å; L337-L343 HydrophobicContact CD2-CB 3.6Å; L337-L343 HydrophobicContact CD2-CD1 3.91Å; L337-L343 HydrophobicContact CD2-CG 4.33Å; S339-L343 PolarHBondContact O-N 3.08Å; E340-L343 WeakPolarHBondContact O-CB 3.25Å; E340-L343 PolarHBondContact O-N 3.39Å; L343-R345 VanDerWaalsContact C-N 3.28Å; L343-R345 PolarHBondContact O-N 2.98Å; L343-I346 PolarHBondContact O-N 3.47Å; L343-V347 HydrophobicContact CD1-CG2 3.96Å; L343-V347 HydrophobicContact CG-CG2 4.27Å; L343-V347 WeakPolarHBondContact O-CB 3.38Å; L343-V347 VanDerWaalsContact O-CG2 3.27Å; L343-V347 WeakPolarHBondContact O-CG2 3.37Å; L343-V347 PolarHBondContact O-N 3.36Å |
| 344 | Q | 97 | Very high | 96.1 | Very high | 34 Ų | 34 | 33.7 Ų | 33.7 | 16% | 0.159 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -57.8 | -41.5 | 178.6 | -169.5 | -178.9 | 23.1 | 0 | 0 | 111.7 | W298 E340 E342 V347 L348 V371 | W298-Q344 VanDerWaalsContact CD1-NE2 3.29Å; W298-Q344 HydrophobicContact CD2-CB 4.25Å; W298-Q344 HydrophobicContact CD2-CG 3.68Å; W298-Q344 HydrophobicContact CE3-CB 4.15Å; W298-Q344 HydrophobicContact CE3-CG 3.93Å; W298-Q344 HydrophobicContact CG-CG 4.07Å; W298-Q344 HydrophobicContact CH2-CB 3.95Å; W298-Q344 HydrophobicContact CH2-CG 4.43Å; W298-Q344 HydrophobicContact CZ2-CB 4.06Å; W298-Q344 HydrophobicContact CZ2-CG 4.22Å; W298-Q344 HydrophobicContact CZ3-CB 4Å; W298-Q344 HydrophobicContact CZ3-CG 4.3Å; E340-Q344 PolarHBondContact O-N 2.89Å; E342-Q344 PolarHBondContact O-N 3.34Å; Q344-V347 PolarHBondContact O-N 3.42Å; Q344-L348 HydrophobicContact CG-CD1 4.19Å; Q344-L348 HydrophobicContact CG-CG 4.44Å; Q344-L348 WeakPolarHBondContact O-CB 3.36Å; Q344-L348 WeakPolarHBondContact O-CG 3.42Å; Q344-L348 PolarHBondContact O-N 3.38Å; Q344-V371 HydrophobicContact CG-CG2 4Å |
| 345 | R | 96.4 | Very high | 96.3 | Very high | 54 Ų | 54 | 30.4 Ų | 30.4 | 20% | 0.204 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 177.1 | -74.6 | 176.4 | -62.3 | 172.7 | 6.1 | 112.5 | S341 E342 L343 T349 V371 D372 | S341-R345 VanDerWaalsContact O-CG 3.23Å; S341-R345 WeakPolarHBondContact O-CG 3.29Å; S341-R345 PolarHBondContact O-N 3Å; S341-R345 VanDerWaalsContact O-N 3.13Å; S341-R345 PolarHBondContact O-NE 3.3Å; S341-R345 VanDerWaalsContact O-NE 3.11Å; E342-R345 PolarHBondContact O-N 2.84Å; L343-R345 VanDerWaalsContact C-N 3.28Å; L343-R345 PolarHBondContact O-N 2.98Å; R345-T349 WeakPolarHBondContact O-CB 3.34Å; R345-T349 PolarHBondContact O-N 2.82Å; R345-T349 PolarHBondContact O-OG1 3.43Å; R345-V371 HydrophobicContact CG-CB 4.25Å; R345-V371 HydrophobicContact CG-CG2 4.37Å; R345-D372 WeakPolarHBondContact CD-OD2 3.45Å; R345-D372 IonicContact CZ-OD2 3.6Å; R345-D372 IonicContact NE-OD2 3.37Å; R345-D372 IonicContact NH1-OD2 3.01Å; R345-D372 PolarHBondContact NH1-OD2 3.46Å |
| 346 | I | 97.1 | Very high | 96.4 | Very high | 20 Ų | 20 | 28.2 Ų | 28.2 | 10% | 0.103 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.4 | -48.4 | 177.6 | -64.9 | 166.6 | 0 | 0 | 0 | 109.9 | A332 V333 L337 E342 L343 L348 T349 C350 | A332-I346 HydrophobicContact CB-CG2 3.68Å; V333-I346 HydrophobicContact CG2-CB 4.47Å; V333-I346 HydrophobicContact CG2-CG2 3.73Å; L337-I346 HydrophobicContact CD1-CD1 4.1Å; L337-I346 HydrophobicContact CD2-CD1 4.23Å; E342-I346 HydrophobicContact CG-CD1 4.4Å; E342-I346 WeakPolarHBondContact O-CG1 3.49Å; E342-I346 PolarHBondContact O-N 2.8Å; L343-I346 PolarHBondContact O-N 3.47Å; I346-L348 PolarHBondContact O-N 3.37Å; I346-T349 PolarHBondContact O-N 3.45Å; I346-C350 PolarHBondContact O-N 3.26Å; I346-C350 PolarHBondContact O-SG 3.21Å; I346-C350 VanDerWaalsContact O-SG 3.4Å |
| 347 | V | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.9 | -46.9 | 179.4 | 167 | 0 | 0 | 0 | 0 | 111.3 | L280 L295 W298 L299 M325 T329 L343 Q344 C350 F351 | L280-V347 HydrophobicContact CD1-CG2 3.87Å; L295-V347 HydrophobicContact CD1-CG1 3.55Å; L295-V347 HydrophobicContact CD1-CG2 4.39Å; W298-V347 HydrophobicContact CE3-CG1 4.37Å; L299-V347 HydrophobicContact CD2-CG1 3.94Å; M325-V347 HydrophobicContact CE-CG1 3.74Å; M325-V347 VanDerWaalsContact CE-O 3.27Å; M325-V347 WeakPolarHBondContact CE-O 3.39Å; T329-V347 HydrophobicContact CG2-CG2 4.09Å; L343-V347 HydrophobicContact CD1-CG2 3.96Å; L343-V347 HydrophobicContact CG-CG2 4.27Å; L343-V347 WeakPolarHBondContact O-CB 3.38Å; L343-V347 VanDerWaalsContact O-CG2 3.27Å; L343-V347 WeakPolarHBondContact O-CG2 3.37Å; L343-V347 PolarHBondContact O-N 3.36Å; Q344-V347 PolarHBondContact O-N 3.42Å; V347-C350 PolarHBondContact O-N 3.31Å; V347-F351 WeakPolarHBondContact O-CB 3.47Å; V347-F351 PolarHBondContact O-N 3.25Å |
| 348 | L | 98.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 25.9 Ų | 25.9 | 4% | 0.037 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -72.4 | -29.1 | 179.4 | -68.6 | -176.2 | 0 | 0 | 0 | 113.1 | L299 V302 Q344 I346 F351 Y352 F369 V371 | L299-L348 HydrophobicContact CD2-CD2 4.45Å; V302-L348 HydrophobicContact CG2-CD2 3.98Å; Q344-L348 HydrophobicContact CG-CD1 4.19Å; Q344-L348 HydrophobicContact CG-CG 4.44Å; Q344-L348 WeakPolarHBondContact O-CB 3.36Å; Q344-L348 WeakPolarHBondContact O-CG 3.42Å; Q344-L348 PolarHBondContact O-N 3.38Å; I346-L348 PolarHBondContact O-N 3.37Å; L348-F351 HydrophobicContact CD2-CD1 4.26Å; L348-F351 PolarHBondContact O-N 2.65Å; L348-Y352 WeakPolarHBondContact O-CB 3.42Å; L348-Y352 PolarHBondContact O-N 2.94Å; L348-F369 WeakPolarHBondContact CB-O 3.03Å; L348-V371 HydrophobicContact CD1-CG2 3.45Å; L348-V371 VanDerWaalsContact CD1-CG2 3.45Å |
| 349 | T | 98 | Very high | 97 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64 | -45.7 | 168.1 | -60.7 | 0 | 0 | 0 | 0 | 111 | R345 I346 F351 Y352 L353 F378 R381 L385 | R345-T349 WeakPolarHBondContact O-CB 3.34Å; R345-T349 PolarHBondContact O-N 2.82Å; R345-T349 PolarHBondContact O-OG1 3.43Å; I346-T349 PolarHBondContact O-N 3.45Å; T349-F351 VanDerWaalsContact C-N 3.28Å; T349-F351 PolarHBondContact O-N 2.92Å; T349-Y352 PolarHBondContact O-N 3.02Å; T349-L353 PolarHBondContact O-N 3.42Å; T349-F378 HydrophobicContact CG2-CE2 4.44Å; T349-F378 WeakPolarHBondContact OG1-CD2 3.28Å; T349-F378 WeakPolarHBondContact OG1-CE2 3.43Å; T349-R381 HydrophobicContact CG2-CB 3.92Å; T349-R381 PolarHBondContact OG1-NE 3.36Å; T349-L385 HydrophobicContact CG2-CD1 3.82Å |
| 350 | C | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.8 | -36.8 | 173.9 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | M325 L328 T329 I346 V347 S354 | M325-C350 HydrophobicContact CE-CB 4.45Å; L328-C350 HydrophobicContact CB-CB 4.32Å; T329-C350 WeakPolarHBondContact OG1-CB 3.43Å; I346-C350 PolarHBondContact O-N 3.26Å; I346-C350 PolarHBondContact O-SG 3.21Å; I346-C350 VanDerWaalsContact O-SG 3.4Å; V347-C350 PolarHBondContact O-N 3.31Å; C350-S354 WeakPolarHBondContact O-CB 3.45Å; C350-S354 PolarHBondContact O-N 2.88Å; C350-S354 PolarHBondContact O-OG 2.99Å |
| 351 | F | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 0% | 0.004 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -66.4 | -45.9 | 177.4 | -162 | -151.9 | 0 | 0 | 0 | 111.3 | L299 V302 D303 F316 I317 M325 V347 L348 T349 L353 S354 Y355 F369 | L299-F351 HydrophobicContact CB-CE1 4.07Å; L299-F351 HydrophobicContact CB-CZ 4.13Å; L299-F351 HydrophobicContact CD2-CB 4.18Å; L299-F351 HydrophobicContact CD2-CD1 3.67Å; L299-F351 HydrophobicContact CD2-CD2 4.19Å; L299-F351 HydrophobicContact CD2-CE1 3.95Å; L299-F351 HydrophobicContact CD2-CE2 4.44Å; L299-F351 HydrophobicContact CD2-CG 3.79Å; L299-F351 HydrophobicContact CD2-CZ 4.33Å; L299-F351 WeakPolarHBondContact O-CE1 3.39Å; V302-F351 HydrophobicContact CB-CD1 4.19Å; V302-F351 HydrophobicContact CB-CE1 3.87Å; V302-F351 HydrophobicContact CG1-CD1 3.99Å; V302-F351 HydrophobicContact CG1-CE1 3.84Å; D303-F351 HydrophobicContact CB-CZ 4.48Å; F316-F351 HydrophobicContact CD1-CD2 4.43Å; F316-F351 AromaticContact CD1-CE2 3.62Å; F316-F351 HydrophobicContact CD1-CE2 3.62Å; F316-F351 HydrophobicContact CD1-CZ 4.26Å; F316-F351 HydrophobicContact CE1-CD2 4.22Å; F316-F351 AromaticContact CE1-CE2 3.79Å; F316-F351 HydrophobicContact CE1-CE2 3.79Å; I317-F351 HydrophobicContact CD1-CZ 4.11Å; I317-F351 HydrophobicContact CG1-CE2 4.34Å; I317-F351 HydrophobicContact CG1-CZ 3.89Å; M325-F351 HydrophobicContact CE-CB 3.7Å; M325-F351 HydrophobicContact CE-CD2 4.21Å; M325-F351 HydrophobicContact CE-CG 4.2Å; M325-F351 HydrophobicContact SD-CB 4.08Å; M325-F351 HydrophobicContact SD-CD2 3.44Å; M325-F351 WeakPolarHBondContact SD-CD2 3.34Å; M325-F351 HydrophobicContact SD-CE2 4.11Å; M325-F351 HydrophobicContact SD-CG 4.03Å; V347-F351 WeakPolarHBondContact O-CB 3.47Å; V347-F351 PolarHBondContact O-N 3.25Å; L348-F351 HydrophobicContact CD2-CD1 4.26Å; L348-F351 PolarHBondContact O-N 2.65Å; T349-F351 VanDerWaalsContact C-N 3.28Å; T349-F351 PolarHBondContact O-N 2.92Å; F351-L353 PolarHBondContact O-N 2.56Å; F351-S354 CarbonylContact O-C 3.59Å; F351-S354 WeakPolarHBondContact O-CA 3.46Å; F351-S354 VanDerWaalsContact O-CB 3.29Å; F351-S354 WeakPolarHBondContact O-CB 3.42Å; F351-S354 PolarHBondContact O-N 3.13Å; F351-Y355 HydrophobicContact CD1-CD2 4.41Å; F351-Y355 AromaticContact CD1-CE2 3.85Å; F351-Y355 HydrophobicContact CD1-CE2 3.85Å; F351-Y355 HydrophobicContact CD2-CD2 4.05Å; F351-Y355 AromaticContact CD2-CE2 3.82Å; F351-Y355 HydrophobicContact CD2-CE2 3.82Å; F351-Y355 HydrophobicContact CE1-CD2 4.48Å; F351-Y355 AromaticContact CE1-CE2 3.52Å; F351-Y355 HydrophobicContact CE1-CE2 3.52Å; F351-Y355 HydrophobicContact CE2-CD2 4.12Å; F351-Y355 AromaticContact CE2-CE2 3.49Å; F351-Y355 HydrophobicContact CE2-CE2 3.49Å; F351-Y355 VanDerWaalsContact CE2-CE2 3.49Å; F351-Y355 HydrophobicContact CG-CD2 4.22Å; F351-Y355 HydrophobicContact CG-CE2 4.01Å; F351-Y355 HydrophobicContact CZ-CD2 4.34Å; F351-Y355 AromaticContact CZ-CE2 3.34Å; F351-Y355 HydrophobicContact CZ-CE2 3.34Å; F351-Y355 AromaticContact CZ-CZ 3.95Å; F351-Y355 WeakPolarHBondContact O-CD2 3.23Å; F351-Y355 PolarHBondContact O-N 2.99Å; F351-F369 HydrophobicContact CB-CD1 4.38Å; F351-F369 HydrophobicContact CB-CE1 4.37Å; F351-F369 HydrophobicContact CD1-CD1 4.25Å; F351-F369 AromaticContact CD1-CE1 3.87Å; F351-F369 HydrophobicContact CD1-CE1 3.87Å; F351-F369 HydrophobicContact CG-CE1 4.21Å |
| 352 | Y | 98.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.1 | -46.6 | 175.3 | 178.3 | -107.8 | 0 | 0 | 0 | 112.4 | F133 L348 T349 S354 Y355 A356 F369 F378 W379 | F133-Y352 AromaticContact CD2-CE1 3.55Å; F133-Y352 HydrophobicContact CD2-CE1 3.55Å; F133-Y352 AromaticContact CD2-CZ 3.88Å; F133-Y352 WeakPolarHBondContact CD2-OH 3.3Å; F133-Y352 AromaticContact CE2-CE1 3.89Å; F133-Y352 HydrophobicContact CE2-CE1 3.89Å; L348-Y352 WeakPolarHBondContact O-CB 3.42Å; L348-Y352 PolarHBondContact O-N 2.94Å; T349-Y352 PolarHBondContact O-N 3.02Å; Y352-S354 VanDerWaalsContact C-N 3.25Å; Y352-S354 PolarHBondContact O-N 3Å; Y352-Y355 WeakPolarHBondContact O-CB 3.45Å; Y352-Y355 PolarHBondContact O-N 3.09Å; Y352-A356 PolarHBondContact O-N 3.4Å; Y352-F369 HydrophobicContact CD2-CB 4.4Å; Y352-F369 HydrophobicContact CD2-CD1 4.25Å; Y352-F369 AromaticContact CD2-CD2 3.54Å; Y352-F369 HydrophobicContact CD2-CD2 3.54Å; Y352-F369 HydrophobicContact CD2-CE1 4.41Å; Y352-F369 AromaticContact CD2-CE2 3.73Å; Y352-F369 HydrophobicContact CD2-CE2 3.73Å; Y352-F369 AromaticContact CD2-CG 3.81Å; Y352-F369 HydrophobicContact CD2-CG 3.81Å; Y352-F369 HydrophobicContact CD2-CZ 4.16Å; Y352-F369 HydrophobicContact CE2-CD2 4.31Å; Y352-F369 HydrophobicContact CE2-CE2 4.43Å; Y352-F369 HydrophobicContact CG-CD1 4.44Å; Y352-F369 HydrophobicContact CG-CD2 4.39Å; Y352-F369 HydrophobicContact CG-CG 4.22Å; Y352-F378 AromaticContact CD1-CE1 3.75Å; Y352-F378 HydrophobicContact CD1-CE1 3.75Å; Y352-F378 AromaticContact CD1-CZ 3.59Å; Y352-F378 HydrophobicContact CD1-CZ 3.59Å; Y352-F378 HydrophobicContact CD2-CZ 4.47Å; Y352-F378 HydrophobicContact CE1-CE1 4.02Å; Y352-F378 HydrophobicContact CE1-CZ 4.28Å; Y352-F378 HydrophobicContact CG-CE1 4.26Å; Y352-F378 AromaticContact CG-CZ 3.7Å; Y352-F378 HydrophobicContact CG-CZ 3.7Å; Y352-W379 HydrophobicContact CE1-CH2 4.14Å; Y352-W379 AromaticContact CE1-CZ3 3.77Å; Y352-W379 HydrophobicContact CE1-CZ3 3.77Å |
| 353 | L | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.4 | -34.4 | 174.8 | -71.2 | 179.6 | 0 | 0 | 0 | 112.5 | L328 T349 F351 A356 Y357 C382 L385 I386 | L328-L353 HydrophobicContact CD1-CB 4.25Å; T349-L353 PolarHBondContact O-N 3.42Å; F351-L353 PolarHBondContact O-N 2.56Å; L353-A356 PolarHBondContact O-N 3.02Å; L353-Y357 VanDerWaalsContact O-CB 3.31Å; L353-Y357 WeakPolarHBondContact O-CB 3.3Å; L353-Y357 PolarHBondContact O-N 3.02Å; L353-C382 HydrophobicContact CD2-CB 4.26Å; L353-L385 HydrophobicContact CD1-CB 3.52Å; L353-L385 HydrophobicContact CD1-CD1 3.66Å; L353-L385 HydrophobicContact CD1-CG 4.24Å; L353-I386 HydrophobicContact CD1-CG1 4.39Å; L353-I386 HydrophobicContact CD2-CD1 3.83Å; L353-I386 HydrophobicContact CD2-CG1 4.01Å |
| 354 | S | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.7 | -45.9 | 174.4 | -55.7 | 0 | 0 | 0 | 0 | 110.9 | F316 C350 F351 Y352 Y357 M358 | F316-S354 VanDerWaalsContact CZ-C 3.46Å; F316-S354 WeakPolarHBondContact CZ-O 3.18Å; C350-S354 WeakPolarHBondContact O-CB 3.45Å; C350-S354 PolarHBondContact O-N 2.88Å; C350-S354 PolarHBondContact O-OG 2.99Å; F351-S354 CarbonylContact O-C 3.59Å; F351-S354 WeakPolarHBondContact O-CA 3.46Å; F351-S354 VanDerWaalsContact O-CB 3.29Å; F351-S354 WeakPolarHBondContact O-CB 3.42Å; F351-S354 PolarHBondContact O-N 3.13Å; Y352-S354 VanDerWaalsContact C-N 3.25Å; Y352-S354 PolarHBondContact O-N 3Å; S354-Y357 PolarHBondContact O-N 3.09Å; S354-M358 WeakPolarHBondContact O-CA 3.16Å; S354-M358 VanDerWaalsContact O-CB 3.23Å; S354-M358 WeakPolarHBondContact O-CB 3.19Å; S354-M358 PolarHBondContact O-N 3.02Å |
| 355 | Y | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59 | -47.7 | 172.4 | -87.2 | -87 | 0 | 0 | 0 | 112.4 | D303 L306 F316 F351 Y352 Y357 G359 Y364 F369 | D303-Y355 VanDerWaalsContact CA-OH 3.29Å; D303-Y355 WeakPolarHBondContact CA-OH 3.4Å; D303-Y355 WeakPolarHBondContact CB-OH 3.46Å; D303-Y355 PolarHBondContact OD1-OH 3.02Å; L306-Y355 HydrophobicContact CD1-CD1 4.17Å; L306-Y355 HydrophobicContact CD1-CE1 3.54Å; L306-Y355 HydrophobicContact CD1-CE2 4.12Å; F316-Y355 HydrophobicContact CB-CD1 4.01Å; F316-Y355 HydrophobicContact CB-CE1 3.23Å; F316-Y355 HydrophobicContact CB-CE2 4.27Å; F316-Y355 WeakPolarHBondContact CB-OH 3.37Å; F316-Y355 HydrophobicContact CD1-CD1 4.37Å; F316-Y355 HydrophobicContact CD1-CD2 4.1Å; F316-Y355 HydrophobicContact CD1-CE1 4.1Å; F316-Y355 AromaticContact CD1-CE2 3.79Å; F316-Y355 HydrophobicContact CD1-CE2 3.79Å; F316-Y355 HydrophobicContact CD1-CG 4.4Å; F316-Y355 AromaticContact CD1-CZ 3.78Å; F316-Y355 AromaticContact CD2-CD1 3.77Å; F316-Y355 HydrophobicContact CD2-CD1 3.77Å; F316-Y355 AromaticContact CD2-CE1 3.91Å; F316-Y355 HydrophobicContact CD2-CE1 3.91Å; F316-Y355 HydrophobicContact CD2-CG 4.23Å; F316-Y355 HydrophobicContact CE1-CD2 4.28Å; F316-Y355 HydrophobicContact CE1-CE2 4.37Å; F316-Y355 HydrophobicContact CE2-CD1 4.36Å; F316-Y355 HydrophobicContact CE2-CG 4.42Å; F316-Y355 AromaticContact CG-CD1 3.79Å; F316-Y355 HydrophobicContact CG-CD1 3.79Å; F316-Y355 HydrophobicContact CG-CD2 4.34Å; F316-Y355 AromaticContact CG-CE1 3.48Å; F316-Y355 HydrophobicContact CG-CE1 3.48Å; F316-Y355 VanDerWaalsContact CG-CE1 3.48Å; F316-Y355 HydrophobicContact CG-CE2 4.06Å; F316-Y355 HydrophobicContact CG-CG 4.23Å; F316-Y355 AromaticContact CG-CZ 3.62Å; F351-Y355 HydrophobicContact CD1-CD2 4.41Å; F351-Y355 AromaticContact CD1-CE2 3.85Å; F351-Y355 HydrophobicContact CD1-CE2 3.85Å; F351-Y355 HydrophobicContact CD2-CD2 4.05Å; F351-Y355 AromaticContact CD2-CE2 3.82Å; F351-Y355 HydrophobicContact CD2-CE2 3.82Å; F351-Y355 HydrophobicContact CE1-CD2 4.48Å; F351-Y355 AromaticContact CE1-CE2 3.52Å; F351-Y355 HydrophobicContact CE1-CE2 3.52Å; F351-Y355 HydrophobicContact CE2-CD2 4.12Å; F351-Y355 AromaticContact CE2-CE2 3.49Å; F351-Y355 HydrophobicContact CE2-CE2 3.49Å; F351-Y355 VanDerWaalsContact CE2-CE2 3.49Å; F351-Y355 HydrophobicContact CG-CD2 4.22Å; F351-Y355 HydrophobicContact CG-CE2 4.01Å; F351-Y355 HydrophobicContact CZ-CD2 4.34Å; F351-Y355 AromaticContact CZ-CE2 3.34Å; F351-Y355 HydrophobicContact CZ-CE2 3.34Å; F351-Y355 AromaticContact CZ-CZ 3.95Å; F351-Y355 WeakPolarHBondContact O-CD2 3.23Å; F351-Y355 PolarHBondContact O-N 2.99Å; Y352-Y355 WeakPolarHBondContact O-CB 3.45Å; Y352-Y355 PolarHBondContact O-N 3.09Å; Y355-Y357 VanDerWaalsContact C-N 3.26Å; Y355-Y357 PolarHBondContact O-N 3.01Å; Y355-G359 WeakPolarHBondContact O-CA 3.22Å; Y355-G359 PolarHBondContact O-N 3.32Å; Y355-Y364 AromaticContact CD1-CD1 3.62Å; Y355-Y364 HydrophobicContact CD1-CD1 3.62Å; Y355-Y364 HydrophobicContact CD1-CD2 4.23Å; Y355-Y364 AromaticContact CD1-CE1 3.42Å; Y355-Y364 HydrophobicContact CD1-CE1 3.42Å; Y355-Y364 VanDerWaalsContact CD1-CE1 3.42Å; Y355-Y364 HydrophobicContact CD1-CE2 4.07Å; Y355-Y364 HydrophobicContact CD1-CG 4.02Å; Y355-Y364 AromaticContact CD1-CZ 3.66Å; Y355-Y364 HydrophobicContact CE1-CD1 4.22Å; Y355-Y364 AromaticContact CE1-CE1 3.98Å; Y355-Y364 HydrophobicContact CE1-CE1 3.98Å; Y355-Y364 HydrophobicContact CG-CD1 4.35Å; Y355-Y364 HydrophobicContact CG-CD2 4.42Å; Y355-Y364 HydrophobicContact CG-CE1 4.44Å; Y355-Y364 HydrophobicContact CG-CG 4.33Å; Y355-Y364 WeakPolarHBondContact O-CE2 3.14Å; Y355-F369 AromaticContact CD2-CE1 3.46Å; Y355-F369 HydrophobicContact CD2-CE1 3.46Å; Y355-F369 VanDerWaalsContact CD2-CE1 3.46Å; Y355-F369 AromaticContact CD2-CZ 3.47Å; Y355-F369 HydrophobicContact CD2-CZ 3.47Å; Y355-F369 VanDerWaalsContact CD2-CZ 3.47Å; Y355-F369 AromaticContact CE2-CE1 3.71Å; Y355-F369 HydrophobicContact CE2-CE1 3.71Å; Y355-F369 AromaticContact CE2-CZ 3.78Å; Y355-F369 HydrophobicContact CE2-CZ 3.78Å; Y355-F369 HydrophobicContact CG-CE1 4.31Å; Y355-F369 AromaticContact CG-CZ 3.92Å; Y355-F369 HydrophobicContact CG-CZ 3.92Å |
| 356 | A | 97.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 24.8 Ų | 24.8 | 14% | 0.14 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62 | -33.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | T135 Y352 L353 | T135-A356 HydrophobicContact CG2-CB 4.48Å; T135-A356 WeakPolarHBondContact CG2-O 3.45Å; Y352-A356 PolarHBondContact O-N 3.4Å; L353-A356 PolarHBondContact O-N 3.02Å |
| 357 | Y | 97.4 | Very high | 96.7 | Very high | 33 Ų | 33 | 32.6 Ų | 32.6 | 13% | 0.129 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -93.2 | -45.5 | -177.2 | -169.8 | -85.8 | 0 | 0 | 0 | 113.9 | L123 W137 F324 L353 S354 Y355 M393 N397 | L123-Y357 HydrophobicContact CD1-CD2 4.49Å; L123-Y357 HydrophobicContact CD1-CE2 4.38Å; L123-Y357 HydrophobicContact CD2-CD2 4.12Å; L123-Y357 HydrophobicContact CD2-CE2 4.12Å; W137-Y357 AromaticContact CH2-CE2 3.91Å; W137-Y357 HydrophobicContact CH2-CE2 3.91Å; W137-Y357 AromaticContact CH2-CZ 3.98Å; W137-Y357 AromaticContact CZ2-CE2 3.97Å; W137-Y357 HydrophobicContact CZ2-CE2 3.97Å; F324-Y357 HydrophobicContact CE1-CD1 4.41Å; F324-Y357 AromaticContact CE2-CD1 3.6Å; F324-Y357 HydrophobicContact CE2-CD1 3.6Å; F324-Y357 AromaticContact CE2-CE1 3.83Å; F324-Y357 HydrophobicContact CE2-CE1 3.83Å; F324-Y357 HydrophobicContact CE2-CG 4.42Å; F324-Y357 AromaticContact CZ-CD1 3.45Å; F324-Y357 HydrophobicContact CZ-CD1 3.45Å; F324-Y357 VanDerWaalsContact CZ-CD1 3.45Å; F324-Y357 HydrophobicContact CZ-CE1 4.09Å; F324-Y357 AromaticContact CZ-CG 3.86Å; F324-Y357 HydrophobicContact CZ-CG 3.86Å; L353-Y357 VanDerWaalsContact O-CB 3.31Å; L353-Y357 WeakPolarHBondContact O-CB 3.3Å; L353-Y357 PolarHBondContact O-N 3.02Å; S354-Y357 PolarHBondContact O-N 3.09Å; Y355-Y357 VanDerWaalsContact C-N 3.26Å; Y355-Y357 PolarHBondContact O-N 3.01Å; Y357-M393 HydrophobicContact CD1-CE 4.45Å; Y357-M393 HydrophobicContact CD2-CE 3.57Å; Y357-M393 HydrophobicContact CE2-CB 4.26Å; Y357-M393 HydrophobicContact CE2-CE 4.3Å; Y357-M393 HydrophobicContact CG-CE 3.65Å; Y357-M393 PolarHBondContact OH-O 3.4Å; Y357-N397 WeakPolarHBondContact CE1-ND2 3.3Å |
| 358 | M | 96.4 | Very high | 96.6 | Very high | 24 Ų | 24 | 33.9 Ų | 33.9 | 12% | 0.118 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -98.9 | -12.7 | -172.8 | -69.8 | -59.5 | -53.6 | 0 | 0 | 113.6 | P215 F316 N321 F324 S354 | P215-M358 HydrophobicContact CB-CE 3.74Å; P215-M358 HydrophobicContact CG-CE 3.37Å; P215-M358 HydrophobicContact CG-SD 3.93Å; F316-M358 HydrophobicContact CE2-CB 3.81Å; F316-M358 HydrophobicContact CZ-CB 3.91Å; N321-M358 WeakPolarHBondContact OD1-CE 3.35Å; F324-M358 HydrophobicContact CB-CG 4.18Å; F324-M358 HydrophobicContact CD1-CG 3.66Å; F324-M358 HydrophobicContact CD2-CG 3.71Å; F324-M358 HydrophobicContact CD2-SD 3.73Å; F324-M358 HydrophobicContact CE1-CG 3.89Å; F324-M358 HydrophobicContact CE2-CG 3.94Å; F324-M358 HydrophobicContact CE2-SD 3.95Å; F324-M358 HydrophobicContact CG-CG 3.57Å; F324-M358 HydrophobicContact CG-SD 4.15Å; F324-M358 HydrophobicContact CZ-CG 4.02Å; S354-M358 WeakPolarHBondContact O-CA 3.16Å; S354-M358 VanDerWaalsContact O-CB 3.23Å; S354-M358 WeakPolarHBondContact O-CB 3.19Å; S354-M358 PolarHBondContact O-N 3.02Å |
| 359 | G | 95.3 | Very high | 96.6 | Very high | 19 Ų | 19 | 33.6 Ų | 33.6 | 20% | 0.196 | 18% | 0.175 | C | C | . | . | trans | -72.3 | 156.4 | -176 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y355 Y364 | Y355-G359 WeakPolarHBondContact O-CA 3.22Å; Y355-G359 PolarHBondContact O-N 3.32Å; G359-Y364 WeakPolarHBondContact CA-OH 3.31Å | ||
| 360 | N | 93.6 | Very high | 96.5 | Very high | 140 Ų | 140 | 35.8 Ų | 35.8 | 75% | 0.749 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -85.9 | -23.7 | 179.8 | -65.7 | -42.4 | 0 | 0 | 0 | 113.2 | Y364 | N360-Y364 PolarHBondContact N-OH 3.46Å; N360-Y364 VanDerWaalsContact N-OH 3.15Å |
| 361 | E | 94.9 | Very high | 96.1 | Very high | 65 Ų | 65 | 38.6 Ų | 38.6 | 30% | 0.304 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -81 | 151 | 178.7 | -46.6 | -60.9 | 160.3 | 0 | 0 | 111.2 | W311 Q312 S363 Y364 | W311-E361 WeakPolarHBondContact O-CG 3.27Å; Q312-E361 HydrophobicContact CB-CG 4.15Å; E361-S363 PolarHBondContact O-N 3.37Å; E361-Y364 HydrophobicContact CB-CE1 3.85Å; E361-Y364 HydrophobicContact CB-CE2 4.1Å; E361-Y364 WeakPolarHBondContact CB-OH 3.45Å; E361-Y364 HydrophobicContact CG-CE1 3.78Å; E361-Y364 WeakPolarHBondContact CG-OH 3.43Å; E361-Y364 PolarHBondContact N-OH 3.48Å; E361-Y364 VanDerWaalsContact N-OH 3.08Å |
| 362 | I | 93.3 | Very high | 95.4 | Very high | 115 Ų | 115 | 41.5 Ų | 41.5 | 59% | 0.59 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -69.7 | -21.7 | -178.2 | 61.1 | 171.5 | 0 | 0 | 0 | 113.5 | ||
| 363 | S | 96.1 | Very high | 94.6 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 21% | 0.21 | 26% | 0.259 | C | S | . | . | trans | -159 | 159.1 | 179.8 | 63.7 | 0 | 0 | 0 | 0 | 110.8 | F133 E361 | F133-S363 WeakPolarHBondContact O-CB 3.44Å; E361-S363 PolarHBondContact O-N 3.37Å | ||
| 364 | Y | 96.5 | Very high | 94.1 | Very high | 9 Ų | 9 | 48.5 Ų | 48.5 | 4% | 0.035 | 27% | 0.271 | C | S | . | . | trans | -134.6 | 142.5 | 174.1 | -61.4 | -87.7 | 0 | 0 | 0 | 109.6 | L306 Y355 G359 N360 E361 | L306-Y364 HydrophobicContact CD1-CD1 4.32Å; Y355-Y364 AromaticContact CD1-CD1 3.62Å; Y355-Y364 HydrophobicContact CD1-CD1 3.62Å; Y355-Y364 HydrophobicContact CD1-CD2 4.23Å; Y355-Y364 AromaticContact CD1-CE1 3.42Å; Y355-Y364 HydrophobicContact CD1-CE1 3.42Å; Y355-Y364 VanDerWaalsContact CD1-CE1 3.42Å; Y355-Y364 HydrophobicContact CD1-CE2 4.07Å; Y355-Y364 HydrophobicContact CD1-CG 4.02Å; Y355-Y364 AromaticContact CD1-CZ 3.66Å; Y355-Y364 HydrophobicContact CE1-CD1 4.22Å; Y355-Y364 AromaticContact CE1-CE1 3.98Å; Y355-Y364 HydrophobicContact CE1-CE1 3.98Å; Y355-Y364 HydrophobicContact CG-CD1 4.35Å; Y355-Y364 HydrophobicContact CG-CD2 4.42Å; Y355-Y364 HydrophobicContact CG-CE1 4.44Å; Y355-Y364 HydrophobicContact CG-CG 4.33Å; Y355-Y364 WeakPolarHBondContact O-CE2 3.14Å; G359-Y364 WeakPolarHBondContact CA-OH 3.31Å; N360-Y364 PolarHBondContact N-OH 3.46Å; N360-Y364 VanDerWaalsContact N-OH 3.15Å; E361-Y364 HydrophobicContact CB-CE1 3.85Å; E361-Y364 HydrophobicContact CB-CE2 4.1Å; E361-Y364 WeakPolarHBondContact CB-OH 3.45Å; E361-Y364 HydrophobicContact CG-CE1 3.78Å; E361-Y364 WeakPolarHBondContact CG-OH 3.43Å; E361-Y364 PolarHBondContact N-OH 3.48Å; E361-Y364 VanDerWaalsContact N-OH 3.08Å | ||
| 365 | P | 96.1 | Very high | 93.8 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | trans | -69.6 | 144 | -178.6 | 31.5 | -38 | 0 | 0 | 0 | 110.8 | L306 W311 P368 F369 | L306-P365 HydrophobicContact CD2-CG 3.58Å; W311-P365 HydrophobicContact CD2-CB 4.4Å; W311-P365 HydrophobicContact CD2-CG 3.7Å; W311-P365 HydrophobicContact CE3-CG 4.26Å; W311-P365 HydrophobicContact CG-CG 3.91Å; W311-P365 HydrophobicContact CH2-CB 4.22Å; W311-P365 HydrophobicContact CZ2-CB 3.86Å; W311-P365 HydrophobicContact CZ2-CG 4.03Å; P365-P368 HydrophobicContact CG-CG 4.18Å; P365-P368 WeakPolarHBondContact O-CD 3.3Å; P365-F369 VanDerWaalsContact O-CD2 3.26Å; P365-F369 WeakPolarHBondContact O-CD2 3.25Å; P365-F369 VanDerWaalsContact O-CE2 3.31Å; P365-F369 WeakPolarHBondContact O-CE2 3.21Å | ||
| 366 | L | 95.5 | Very high | 93.6 | Very high | 20 Ų | 20 | 60.6 Ų | 60.6 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -66.9 | -38.5 | 178.2 | 176.4 | 62.4 | 0 | 0 | 0 | 113.3 | P368 F369 L370 R375 F378 W379 | L366-P368 VanDerWaalsContact C-CD 3.47Å; L366-P368 VanDerWaalsContact O-N 3.15Å; L366-F369 PolarHBondContact O-N 2.96Å; L366-L370 HydrophobicContact CD2-CD2 4.34Å; L366-L370 HydrophobicContact CG-CB 4.34Å; L366-L370 PolarHBondContact O-N 2.77Å; L366-R375 HydrophobicContact CD2-CG 4.36Å; L366-F378 HydrophobicContact CD1-CD1 3.58Å; L366-F378 HydrophobicContact CD1-CD2 4.4Å; L366-F378 HydrophobicContact CD1-CE1 3.2Å; L366-F378 HydrophobicContact CD1-CE2 4.08Å; L366-F378 HydrophobicContact CD1-CG 4.17Å; L366-F378 HydrophobicContact CD1-CZ 3.48Å; L366-F378 VanDerWaalsContact CD1-CZ 3.48Å; L366-W379 HydrophobicContact CD1-CH2 4.3Å; L366-W379 HydrophobicContact CD1-CZ2 4.3Å; L366-W379 HydrophobicContact CD2-CH2 4.49Å; L366-W379 HydrophobicContact CD2-CZ2 3.74Å; L366-W379 HydrophobicContact CG-CZ2 4.46Å |
| 367 | K | 95 | Very high | 93.5 | Very high | 184 Ų | 184 | 65.3 Ų | 65.3 | 80% | 0.8 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -50.3 | -43.2 | -166.4 | -176.1 | 176.2 | -178.4 | 174.4 | 0 | 114.9 | F369 L370 | K367-F369 PolarHBondContact O-N 2.9Å; K367-L370 PolarHBondContact O-N 3.34Å |
| 368 | P | 95.9 | Very high | 93.4 | Very high | 26 Ų | 26 | 63.9 Ų | 63.9 | 17% | 0.169 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -63.2 | -26.6 | 178.4 | -25.3 | 37.8 | 0 | 0 | 0 | 114.5 | V302 T305 L306 P365 L366 | V302-P368 HydrophobicContact CG1-CB 3.9Å; V302-P368 HydrophobicContact CG2-CB 4.41Å; V302-P368 WeakPolarHBondContact CG2-O 3.28Å; T305-P368 HydrophobicContact CG2-CG 4.29Å; L306-P368 HydrophobicContact CD2-CG 4.04Å; L306-P368 HydrophobicContact CG-CG 4.48Å; P365-P368 HydrophobicContact CG-CG 4.18Å; P365-P368 WeakPolarHBondContact O-CD 3.3Å; L366-P368 VanDerWaalsContact C-CD 3.47Å; L366-P368 VanDerWaalsContact O-N 3.15Å |
| 369 | F | 97.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.009 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -92.4 | -11.6 | -174.9 | -56.3 | -89.6 | 0 | 0 | 0 | 113.3 | V302 L306 L348 F351 Y352 Y355 P365 L366 K367 F378 | V302-F369 HydrophobicContact CG1-CD1 3.89Å; V302-F369 HydrophobicContact CG1-CE1 3.54Å; V302-F369 HydrophobicContact CG1-CE2 4.31Å; V302-F369 HydrophobicContact CG1-CG 4.42Å; V302-F369 HydrophobicContact CG1-CZ 3.78Å; L306-F369 HydrophobicContact CD1-CE2 4.19Å; L306-F369 HydrophobicContact CD1-CZ 3.8Å; L348-F369 WeakPolarHBondContact CB-O 3.03Å; F351-F369 HydrophobicContact CB-CD1 4.38Å; F351-F369 HydrophobicContact CB-CE1 4.37Å; F351-F369 HydrophobicContact CD1-CD1 4.25Å; F351-F369 AromaticContact CD1-CE1 3.87Å; F351-F369 HydrophobicContact CD1-CE1 3.87Å; F351-F369 HydrophobicContact CG-CE1 4.21Å; Y352-F369 HydrophobicContact CD2-CB 4.4Å; Y352-F369 HydrophobicContact CD2-CD1 4.25Å; Y352-F369 AromaticContact CD2-CD2 3.54Å; Y352-F369 HydrophobicContact CD2-CD2 3.54Å; Y352-F369 HydrophobicContact CD2-CE1 4.41Å; Y352-F369 AromaticContact CD2-CE2 3.73Å; Y352-F369 HydrophobicContact CD2-CE2 3.73Å; Y352-F369 AromaticContact CD2-CG 3.81Å; Y352-F369 HydrophobicContact CD2-CG 3.81Å; Y352-F369 HydrophobicContact CD2-CZ 4.16Å; Y352-F369 HydrophobicContact CE2-CD2 4.31Å; Y352-F369 HydrophobicContact CE2-CE2 4.43Å; Y352-F369 HydrophobicContact CG-CD1 4.44Å; Y352-F369 HydrophobicContact CG-CD2 4.39Å; Y352-F369 HydrophobicContact CG-CG 4.22Å; Y355-F369 AromaticContact CD2-CE1 3.46Å; Y355-F369 HydrophobicContact CD2-CE1 3.46Å; Y355-F369 VanDerWaalsContact CD2-CE1 3.46Å; Y355-F369 AromaticContact CD2-CZ 3.47Å; Y355-F369 HydrophobicContact CD2-CZ 3.47Å; Y355-F369 VanDerWaalsContact CD2-CZ 3.47Å; Y355-F369 AromaticContact CE2-CE1 3.71Å; Y355-F369 HydrophobicContact CE2-CE1 3.71Å; Y355-F369 AromaticContact CE2-CZ 3.78Å; Y355-F369 HydrophobicContact CE2-CZ 3.78Å; Y355-F369 HydrophobicContact CG-CE1 4.31Å; Y355-F369 AromaticContact CG-CZ 3.92Å; Y355-F369 HydrophobicContact CG-CZ 3.92Å; P365-F369 VanDerWaalsContact O-CD2 3.26Å; P365-F369 WeakPolarHBondContact O-CD2 3.25Å; P365-F369 VanDerWaalsContact O-CE2 3.31Å; P365-F369 WeakPolarHBondContact O-CE2 3.21Å; L366-F369 PolarHBondContact O-N 2.96Å; K367-F369 PolarHBondContact O-N 2.9Å; F369-F378 HydrophobicContact CB-CE2 4.22Å; F369-F378 HydrophobicContact CB-CZ 4.32Å |
| 370 | L | 95.7 | Very high | 93.4 | Very high | 45 Ų | 45 | 67.5 Ų | 67.5 | 24% | 0.236 | 35% | 0.353 | C | S | . | . | trans | -97.5 | 114.3 | -172.9 | -172.2 | 68.2 | 0 | 0 | 0 | 110.4 | L366 K367 D372 R375 F378 | L366-L370 HydrophobicContact CD2-CD2 4.34Å; L366-L370 HydrophobicContact CG-CB 4.34Å; L366-L370 PolarHBondContact O-N 2.77Å; K367-L370 PolarHBondContact O-N 3.34Å; L370-D372 WeakPolarHBondContact CD1-O 3.49Å; L370-D372 WeakPolarHBondContact CD2-O 3.31Å; L370-D372 WeakPolarHBondContact CG-O 3.31Å; L370-R375 HydrophobicContact CD2-CG 3.85Å; L370-F378 HydrophobicContact CD1-CB 3.92Å; L370-F378 HydrophobicContact CD1-CD2 4.08Å; L370-F378 HydrophobicContact CD1-CG 4.15Å | ||
| 371 | V | 91.6 | Very high | 93.5 | Very high | 59 Ų | 59 | 63.1 Ų | 63.1 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | trans | -88.4 | -32.2 | 179.9 | -167.3 | 0 | 0 | 0 | 0 | 112.5 | Q344 R345 L348 | Q344-V371 HydrophobicContact CG-CG2 4Å; R345-V371 HydrophobicContact CG-CB 4.25Å; R345-V371 HydrophobicContact CG-CG2 4.37Å; L348-V371 HydrophobicContact CD1-CG2 3.45Å; L348-V371 VanDerWaalsContact CD1-CG2 3.45Å | ||
| 372 | D | 83.6 | Confident | 93.6 | Very high | 62 Ų | 62 | 60 Ų | 60 | 33% | 0.332 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -116.9 | 162.3 | -176.5 | -64.9 | -7.2 | 0 | 0 | 0 | 110.9 | R345 L370 D374 | R345-D372 WeakPolarHBondContact CD-OD2 3.45Å; R345-D372 IonicContact CZ-OD2 3.6Å; R345-D372 IonicContact NE-OD2 3.37Å; R345-D372 IonicContact NH1-OD2 3.01Å; R345-D372 PolarHBondContact NH1-OD2 3.46Å; L370-D372 WeakPolarHBondContact CD1-O 3.49Å; L370-D372 WeakPolarHBondContact CD2-O 3.31Å; L370-D372 WeakPolarHBondContact CG-O 3.31Å; D372-D374 PolarHBondContact O-N 3.35Å; D372-D374 VanDerWaalsContact O-N 3.15Å |
| 373 | A | 80.5 | Confident | 93.8 | Very high | 103 Ų | 103 | 58.9 Ų | 58.9 | 85% | 0.851 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -68.4 | -9.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | R375 | A373-R375 PolarHBondContact O-N 3.15Å; A373-R375 VanDerWaalsContact O-N 3.16Å |
| 374 | D | 86.9 | Confident | 93.8 | Very high | 52 Ų | 52 | 61.7 Ų | 61.7 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | trans | -85.9 | 88.4 | -174 | -167 | -25.6 | 0 | 0 | 0 | 112.1 | D372 E376 K377 F378 | D372-D374 PolarHBondContact O-N 3.35Å; D372-D374 VanDerWaalsContact O-N 3.15Å; D374-E376 PolarHBondContact OD1-N 2.66Å; D374-K377 HydrophobicContact CB-CB 4.49Å; D374-K377 PolarHBondContact OD1-N 2.99Å; D374-K377 WeakPolarHBondContact OD2-CD 3.26Å; D374-K377 VanDerWaalsContact OD2-CE 3.32Å; D374-K377 WeakPolarHBondContact OD2-CE 3.36Å; D374-K377 VanDerWaalsContact OD2-CG 3.26Å; D374-K377 WeakPolarHBondContact OD2-CG 3.29Å; D374-K377 IonicContact OD2-NZ 2.65Å; D374-K377 PolarHBondContact OD2-NZ 3.01Å; D374-F378 PolarHBondContact O-N 3.41Å | ||
| 375 | R | 93.8 | Very high | 93.8 | Very high | 110 Ų | 110 | 61.4 Ų | 61.4 | 42% | 0.415 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.5 | -35.5 | 176.8 | -64.7 | -173.8 | -68.6 | -179.7 | -3.1 | 112.5 | Y154 L366 L370 A373 F378 W379 | Y154-R375 PolarHBondContact OH-NH2 3.1Å; L366-R375 HydrophobicContact CD2-CG 4.36Å; L370-R375 HydrophobicContact CD2-CG 3.85Å; A373-R375 PolarHBondContact O-N 3.15Å; A373-R375 VanDerWaalsContact O-N 3.16Å; R375-F378 WeakPolarHBondContact O-CB 3.32Å; R375-F378 PolarHBondContact O-N 2.96Å; R375-W379 PolarHBondContact O-N 3.44Å |
| 376 | E | 93.9 | Very high | 93.9 | Very high | 144 Ų | 144 | 60.9 Ų | 60.9 | 67% | 0.673 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -63.4 | -47.9 | -177 | -68.5 | -177.5 | 178.7 | 0 | 0 | 110.8 | D374 F378 W379 S380 | D374-E376 PolarHBondContact OD1-N 2.66Å; E376-F378 PolarHBondContact O-N 3.18Å; E376-W379 PolarHBondContact O-N 3.06Å; E376-W379 VanDerWaalsContact O-N 3.12Å; E376-S380 PolarHBondContact O-N 3.33Å; E376-S380 PolarHBondContact O-OG 2.92Å; E376-S380 VanDerWaalsContact O-OG 3.11Å |
| 377 | K | 93.4 | Very high | 93.9 | Very high | 115 Ų | 115 | 64.6 Ų | 64.6 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.3 | -33.5 | 175.4 | -73.8 | -171.3 | -174.5 | 110.2 | 0 | 112.9 | D374 R381 | D374-K377 HydrophobicContact CB-CB 4.49Å; D374-K377 PolarHBondContact OD1-N 2.99Å; D374-K377 WeakPolarHBondContact OD2-CD 3.26Å; D374-K377 VanDerWaalsContact OD2-CE 3.32Å; D374-K377 WeakPolarHBondContact OD2-CE 3.36Å; D374-K377 VanDerWaalsContact OD2-CG 3.26Å; D374-K377 WeakPolarHBondContact OD2-CG 3.29Å; D374-K377 IonicContact OD2-NZ 2.65Å; D374-K377 PolarHBondContact OD2-NZ 3.01Å; K377-R381 WeakPolarHBondContact O-CG 3.32Å; K377-R381 PolarHBondContact O-N 3.24Å; K377-R381 VanDerWaalsContact O-N 3.14Å; K377-R381 PolarHBondContact O-NH1 2.91Å |
| 378 | F | 96.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 59.9 Ų | 59.9 | 1% | 0.013 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.2 | -47.5 | 174.2 | 179.5 | -84.1 | 0 | 0 | 0 | 111.3 | T349 Y352 L366 F369 L370 D374 R375 E376 R381 C382 | T349-F378 HydrophobicContact CG2-CE2 4.44Å; T349-F378 WeakPolarHBondContact OG1-CD2 3.28Å; T349-F378 WeakPolarHBondContact OG1-CE2 3.43Å; Y352-F378 AromaticContact CD1-CE1 3.75Å; Y352-F378 HydrophobicContact CD1-CE1 3.75Å; Y352-F378 AromaticContact CD1-CZ 3.59Å; Y352-F378 HydrophobicContact CD1-CZ 3.59Å; Y352-F378 HydrophobicContact CD2-CZ 4.47Å; Y352-F378 HydrophobicContact CE1-CE1 4.02Å; Y352-F378 HydrophobicContact CE1-CZ 4.28Å; Y352-F378 HydrophobicContact CG-CE1 4.26Å; Y352-F378 AromaticContact CG-CZ 3.7Å; Y352-F378 HydrophobicContact CG-CZ 3.7Å; L366-F378 HydrophobicContact CD1-CD1 3.58Å; L366-F378 HydrophobicContact CD1-CD2 4.4Å; L366-F378 HydrophobicContact CD1-CE1 3.2Å; L366-F378 HydrophobicContact CD1-CE2 4.08Å; L366-F378 HydrophobicContact CD1-CG 4.17Å; L366-F378 HydrophobicContact CD1-CZ 3.48Å; L366-F378 VanDerWaalsContact CD1-CZ 3.48Å; F369-F378 HydrophobicContact CB-CE2 4.22Å; F369-F378 HydrophobicContact CB-CZ 4.32Å; L370-F378 HydrophobicContact CD1-CB 3.92Å; L370-F378 HydrophobicContact CD1-CD2 4.08Å; L370-F378 HydrophobicContact CD1-CG 4.15Å; D374-F378 PolarHBondContact O-N 3.41Å; R375-F378 WeakPolarHBondContact O-CB 3.32Å; R375-F378 PolarHBondContact O-N 2.96Å; E376-F378 PolarHBondContact O-N 3.18Å; F378-R381 PolarHBondContact O-N 3.47Å; F378-C382 WeakPolarHBondContact CE1-SG 3.45Å; F378-C382 PolarHBondContact O-N 2.95Å; F378-C382 PolarHBondContact O-SG 3.31Å |
| 379 | W | 96.3 | Very high | 94 | Very high | 42 Ų | 42 | 60.4 Ų | 60.4 | 16% | 0.159 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68 | -40.6 | 179.1 | -65 | 127.3 | 0 | 0 | 0 | 113 | L127 S131 F133 Y352 L366 R375 E376 R381 C382 L383 | L127-W379 HydrophobicContact CD2-CH2 4.34Å; L127-W379 HydrophobicContact CD2-CZ3 4.39Å; S131-W379 WeakPolarHBondContact O-CH2 3.37Å; S131-W379 WeakPolarHBondContact O-CZ2 3.5Å; F133-W379 HydrophobicContact CD2-CH2 4.47Å; F133-W379 AromaticContact CD2-CZ3 3.87Å; F133-W379 HydrophobicContact CD2-CZ3 3.87Å; F133-W379 HydrophobicContact CE2-CE3 4.01Å; F133-W379 HydrophobicContact CE2-CH2 4.37Å; F133-W379 AromaticContact CE2-CZ3 3.4Å; F133-W379 HydrophobicContact CE2-CZ3 3.4Å; F133-W379 HydrophobicContact CZ-CE3 4.4Å; F133-W379 HydrophobicContact CZ-CZ3 4.12Å; Y352-W379 HydrophobicContact CE1-CH2 4.14Å; Y352-W379 AromaticContact CE1-CZ3 3.77Å; Y352-W379 HydrophobicContact CE1-CZ3 3.77Å; L366-W379 HydrophobicContact CD1-CH2 4.3Å; L366-W379 HydrophobicContact CD1-CZ2 4.3Å; L366-W379 HydrophobicContact CD2-CH2 4.49Å; L366-W379 HydrophobicContact CD2-CZ2 3.74Å; L366-W379 HydrophobicContact CG-CZ2 4.46Å; R375-W379 PolarHBondContact O-N 3.44Å; E376-W379 PolarHBondContact O-N 3.06Å; E376-W379 VanDerWaalsContact O-N 3.12Å; W379-R381 VanDerWaalsContact C-N 3.29Å; W379-R381 PolarHBondContact O-N 2.75Å; W379-C382 HydrophobicContact CE3-CB 4.39Å; W379-C382 WeakPolarHBondContact O-CB 2.98Å; W379-C382 PolarHBondContact O-N 2.98Å; W379-C382 VanDerWaalsContact O-N 3.09Å; W379-L383 WeakPolarHBondContact O-CG 3.41Å; W379-L383 PolarHBondContact O-N 2.76Å |
| 380 | S | 96.1 | Very high | 93.9 | Very high | 77 Ų | 77 | 61.4 Ų | 61.4 | 54% | 0.538 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.1 | -41.8 | 173.8 | -58.3 | 0 | 0 | 0 | 0 | 111.7 | E376 L383 M384 | E376-S380 PolarHBondContact O-N 3.33Å; E376-S380 PolarHBondContact O-OG 2.92Å; E376-S380 VanDerWaalsContact O-OG 3.11Å; S380-L383 PolarHBondContact O-N 3.44Å; S380-M384 WeakPolarHBondContact O-CB 3.44Å; S380-M384 PolarHBondContact O-N 2.79Å |
| 381 | R | 95.6 | Very high | 93.9 | Very high | 49 Ų | 49 | 60.8 Ų | 60.8 | 19% | 0.185 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 173.4 | -74.6 | -171.9 | -62.8 | -86 | -1.5 | 111.9 | T349 K377 F378 W379 L383 M384 L385 | T349-R381 HydrophobicContact CG2-CB 3.92Å; T349-R381 PolarHBondContact OG1-NE 3.36Å; K377-R381 WeakPolarHBondContact O-CG 3.32Å; K377-R381 PolarHBondContact O-N 3.24Å; K377-R381 VanDerWaalsContact O-N 3.14Å; K377-R381 PolarHBondContact O-NH1 2.91Å; F378-R381 PolarHBondContact O-N 3.47Å; W379-R381 VanDerWaalsContact C-N 3.29Å; W379-R381 PolarHBondContact O-N 2.75Å; R381-L383 PolarHBondContact O-N 3.03Å; R381-M384 PolarHBondContact O-N 3.35Å; R381-L385 WeakPolarHBondContact O-CB 2.86Å; R381-L385 VanDerWaalsContact O-CG 3.25Å; R381-L385 WeakPolarHBondContact O-CG 3.28Å; R381-L385 PolarHBondContact O-N 3.4Å |
| 382 | C | 97.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.1 | -51.3 | 176.4 | -69.1 | 0 | 0 | 0 | 0 | 111.2 | L353 F378 W379 M384 L385 I386 | L353-C382 HydrophobicContact CD2-CB 4.26Å; F378-C382 WeakPolarHBondContact CE1-SG 3.45Å; F378-C382 PolarHBondContact O-N 2.95Å; F378-C382 PolarHBondContact O-SG 3.31Å; W379-C382 HydrophobicContact CE3-CB 4.39Å; W379-C382 WeakPolarHBondContact O-CB 2.98Å; W379-C382 PolarHBondContact O-N 2.98Å; W379-C382 VanDerWaalsContact O-N 3.09Å; C382-M384 PolarHBondContact O-N 2.81Å; C382-L385 PolarHBondContact O-N 2.91Å; C382-I386 WeakPolarHBondContact O-CD1 3.32Å; C382-I386 VanDerWaalsContact O-CG1 3.29Å; C382-I386 WeakPolarHBondContact O-CG1 3.24Å; C382-I386 PolarHBondContact O-N 3.31Å |
| 383 | L | 96.7 | Very high | 94.7 | Very high | 90 Ų | 90 | 57.5 Ų | 57.5 | 47% | 0.471 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | -179.5 | -67.7 | 175.1 | 0 | 0 | 0 | 111.8 | W379 S380 R381 L385 I386 D387 | W379-L383 WeakPolarHBondContact O-CG 3.41Å; W379-L383 PolarHBondContact O-N 2.76Å; S380-L383 PolarHBondContact O-N 3.44Å; R381-L383 PolarHBondContact O-N 3.03Å; L383-L385 PolarHBondContact O-N 3.26Å; L383-I386 PolarHBondContact O-N 3.36Å; L383-D387 WeakPolarHBondContact O-CB 3.3Å; L383-D387 PolarHBondContact O-N 2.8Å |
| 384 | M | 96.8 | Very high | 95.5 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 44% | 0.443 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 176.1 | -177.8 | -157.1 | 73.2 | 0 | 0 | 112.3 | S380 R381 C382 I386 D387 N388 | S380-M384 WeakPolarHBondContact O-CB 3.44Å; S380-M384 PolarHBondContact O-N 2.79Å; R381-M384 PolarHBondContact O-N 3.35Å; C382-M384 PolarHBondContact O-N 2.81Å; M384-I386 VanDerWaalsContact C-N 3.34Å; M384-I386 PolarHBondContact O-N 2.91Å; M384-D387 PolarHBondContact O-N 3.22Å; M384-N388 WeakPolarHBondContact O-CB 3.37Å; M384-N388 VanDerWaalsContact O-CG 3.29Å; M384-N388 PolarHBondContact O-N 3.25Å; M384-N388 PolarHBondContact O-ND2 3.49Å |
| 385 | L | 96.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.6 | -38 | 178.5 | -68.9 | 176 | 0 | 0 | 0 | 112 | A332 T349 L353 R381 C382 L383 Y389 | A332-L385 HydrophobicContact CB-CD2 3.47Å; A332-L385 VanDerWaalsContact CB-CD2 3.47Å; T349-L385 HydrophobicContact CG2-CD1 3.82Å; L353-L385 HydrophobicContact CD1-CB 3.52Å; L353-L385 HydrophobicContact CD1-CD1 3.66Å; L353-L385 HydrophobicContact CD1-CG 4.24Å; R381-L385 WeakPolarHBondContact O-CB 2.86Å; R381-L385 VanDerWaalsContact O-CG 3.25Å; R381-L385 WeakPolarHBondContact O-CG 3.28Å; R381-L385 PolarHBondContact O-N 3.4Å; C382-L385 PolarHBondContact O-N 2.91Å; L383-L385 PolarHBondContact O-N 3.26Å; L385-Y389 HydrophobicContact CB-CD2 4.34Å; L385-Y389 HydrophobicContact CD2-CD2 3.8Å; L385-Y389 HydrophobicContact CD2-CE2 3.63Å; L385-Y389 WeakPolarHBondContact O-CA 2.93Å; L385-Y389 VanDerWaalsContact O-CB 3.3Å; L385-Y389 WeakPolarHBondContact O-CB 3.26Å; L385-Y389 VanDerWaalsContact O-CD2 3.31Å; L385-Y389 WeakPolarHBondContact O-CD2 3.38Å; L385-Y389 PolarHBondContact O-N 3.19Å |
| 386 | I | 96.9 | Very high | 95.9 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 2% | 0.015 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.3 | -46.5 | 176.6 | -68.8 | 157 | 0 | 0 | 0 | 110.7 | Y114 L125 L353 C382 L383 M384 N388 S390 | Y114-I386 HydrophobicContact CD1-CG2 4.04Å; Y114-I386 HydrophobicContact CE1-CG2 3.92Å; L125-I386 HydrophobicContact CD1-CD1 3.33Å; L125-I386 HydrophobicContact CD1-CG1 4.15Å; L125-I386 HydrophobicContact CD1-CG2 4.44Å; L353-I386 HydrophobicContact CD1-CG1 4.39Å; L353-I386 HydrophobicContact CD2-CD1 3.83Å; L353-I386 HydrophobicContact CD2-CG1 4.01Å; C382-I386 WeakPolarHBondContact O-CD1 3.32Å; C382-I386 VanDerWaalsContact O-CG1 3.29Å; C382-I386 WeakPolarHBondContact O-CG1 3.24Å; C382-I386 PolarHBondContact O-N 3.31Å; L383-I386 PolarHBondContact O-N 3.36Å; M384-I386 VanDerWaalsContact C-N 3.34Å; M384-I386 PolarHBondContact O-N 2.91Å; I386-N388 VanDerWaalsContact C-N 3.33Å; I386-N388 PolarHBondContact O-N 2.84Å; I386-S390 WeakPolarHBondContact O-CB 3.4Å; I386-S390 PolarHBondContact O-N 2.93Å; I386-S390 PolarHBondContact O-OG 3.39Å |
| 387 | D | 95.6 | Very high | 95.8 | Very high | 98 Ų | 98 | 45.8 Ų | 45.8 | 52% | 0.524 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.8 | -47.1 | 178.7 | -167.6 | 61.4 | 0 | 0 | 0 | 110.8 | Y114 L383 M384 | Y114-D387 PolarHBondContact OH-OD1 3.3Å; L383-D387 WeakPolarHBondContact O-CB 3.3Å; L383-D387 PolarHBondContact O-N 2.8Å; M384-D387 PolarHBondContact O-N 3.22Å |
| 388 | N | 96.5 | Very high | 95.8 | Very high | 85 Ų | 85 | 44.3 Ų | 44.3 | 46% | 0.455 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -79.1 | -33.6 | -176.3 | -67.3 | -18.7 | 0 | 0 | 0 | 114.3 | M384 I386 | M384-N388 WeakPolarHBondContact O-CB 3.37Å; M384-N388 VanDerWaalsContact O-CG 3.29Å; M384-N388 PolarHBondContact O-N 3.25Å; M384-N388 PolarHBondContact O-ND2 3.49Å; I386-N388 VanDerWaalsContact C-N 3.33Å; I386-N388 PolarHBondContact O-N 2.84Å |
| 389 | Y | 96.2 | Very high | 95.5 | Very high | 36 Ų | 36 | 46.1 Ų | 46.1 | 14% | 0.141 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -125.7 | 1.5 | -164.4 | -49.3 | -58.1 | 0 | 0 | 0 | 115.4 | E331 L385 G391 N392 M393 | E331-Y389 HydrophobicContact CB-CD1 3.8Å; E331-Y389 HydrophobicContact CB-CD2 4.32Å; E331-Y389 HydrophobicContact CB-CE1 3.27Å; E331-Y389 HydrophobicContact CB-CE2 3.83Å; E331-Y389 HydrophobicContact CB-CG 4.31Å; E331-Y389 HydrophobicContact CG-CD1 3.96Å; E331-Y389 HydrophobicContact CG-CE1 3.74Å; E331-Y389 PolarHBondContact O-OH 3.15Å; L385-Y389 HydrophobicContact CB-CD2 4.34Å; L385-Y389 HydrophobicContact CD2-CD2 3.8Å; L385-Y389 HydrophobicContact CD2-CE2 3.63Å; L385-Y389 WeakPolarHBondContact O-CA 2.93Å; L385-Y389 VanDerWaalsContact O-CB 3.3Å; L385-Y389 WeakPolarHBondContact O-CB 3.26Å; L385-Y389 VanDerWaalsContact O-CD2 3.31Å; L385-Y389 WeakPolarHBondContact O-CD2 3.38Å; L385-Y389 PolarHBondContact O-N 3.19Å; Y389-G391 PolarHBondContact O-N 3.13Å; Y389-N392 PolarHBondContact O-N 3.15Å; Y389-M393 WeakPolarHBondContact O-CG 3.46Å; Y389-M393 PolarHBondContact O-N 2.88Å |
| 390 | S | 96.1 | Very high | 95.3 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 16% | 0.161 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -53.3 | -37.3 | 174.9 | 52.1 | 0 | 0 | 0 | 0 | 113.2 | A116 I386 M393 L394 | A116-S390 WeakPolarHBondContact CB-OG 3.48Å; I386-S390 WeakPolarHBondContact O-CB 3.4Å; I386-S390 PolarHBondContact O-N 2.93Å; I386-S390 PolarHBondContact O-OG 3.39Å; S390-M393 WeakPolarHBondContact O-CB 3.41Å; S390-M393 PolarHBondContact O-N 3.33Å; S390-L394 PolarHBondContact O-N 3.49Å |
| 391 | G | 96.4 | Very high | 95.1 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 34% | 0.34 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -60 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y389 L394 K395 | Y389-G391 PolarHBondContact O-N 3.13Å; G391-L394 PolarHBondContact O-N 3.16Å; G391-K395 VanDerWaalsContact O-CB 3.26Å; G391-K395 WeakPolarHBondContact O-CB 3.5Å; G391-K395 PolarHBondContact O-N 2.79Å |
| 392 | N | 95.8 | Very high | 95 | Very high | 46 Ų | 46 | 43.3 Ų | 43.3 | 25% | 0.246 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.6 | -36.2 | 177 | -70.6 | -13.1 | 0 | 0 | 0 | 112 | M327 Y389 L394 K395 I396 F402 | M327-N392 HydrophobicContact CE-CB 4.25Å; M327-N392 HydrophobicContact SD-CB 3.51Å; M327-N392 VanDerWaalsContact SD-CB 3.51Å; Y389-N392 PolarHBondContact O-N 3.15Å; N392-L394 VanDerWaalsContact C-N 3.3Å; N392-L394 PolarHBondContact O-N 3.14Å; N392-K395 PolarHBondContact O-N 3.22Å; N392-I396 WeakPolarHBondContact O-CG2 3.34Å; N392-I396 PolarHBondContact O-N 2.95Å; N392-F402 HydrophobicContact CB-CE1 4.34Å; N392-F402 HydrophobicContact CB-CZ 4.38Å |
| 393 | M | 96.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 3% | 0.025 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.5 | -38.9 | 173.5 | -64.8 | 169.4 | 76 | 0 | 0 | 111.8 | F324 M327 L328 Y357 Y389 S390 I396 N397 | F324-M393 HydrophobicContact CE1-CE 4.25Å; F324-M393 HydrophobicContact CE2-CB 4.03Å; F324-M393 HydrophobicContact CE2-CG 4.25Å; F324-M393 HydrophobicContact CZ-CB 3.92Å; F324-M393 HydrophobicContact CZ-CE 3.69Å; F324-M393 HydrophobicContact CZ-CG 3.75Å; M327-M393 HydrophobicContact CE-CB 4.41Å; M327-M393 HydrophobicContact CE-CG 3.97Å; L328-M393 HydrophobicContact CD1-CE 4.4Å; L328-M393 HydrophobicContact CD2-CG 3.67Å; L328-M393 HydrophobicContact CD2-SD 3.95Å; L328-M393 HydrophobicContact CG-CG 4.39Å; Y357-M393 HydrophobicContact CD1-CE 4.45Å; Y357-M393 HydrophobicContact CD2-CE 3.57Å; Y357-M393 HydrophobicContact CE2-CB 4.26Å; Y357-M393 HydrophobicContact CE2-CE 4.3Å; Y357-M393 HydrophobicContact CG-CE 3.65Å; Y357-M393 PolarHBondContact OH-O 3.4Å; Y389-M393 WeakPolarHBondContact O-CG 3.46Å; Y389-M393 PolarHBondContact O-N 2.88Å; S390-M393 WeakPolarHBondContact O-CB 3.41Å; S390-M393 PolarHBondContact O-N 3.33Å; M393-I396 VanDerWaalsContact O-CG2 3.28Å; M393-I396 WeakPolarHBondContact O-CG2 3.33Å; M393-N397 PolarHBondContact O-ND2 2.88Å |
| 394 | L | 95.9 | Very high | 94.6 | Very high | 42 Ų | 42 | 39.2 Ų | 39.2 | 22% | 0.22 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -76.5 | -40.2 | 173.4 | -173.3 | 64.1 | 0 | 0 | 0 | 112.2 | S390 G391 N392 I396 N397 S398 | S390-L394 PolarHBondContact O-N 3.49Å; G391-L394 PolarHBondContact O-N 3.16Å; N392-L394 VanDerWaalsContact C-N 3.3Å; N392-L394 PolarHBondContact O-N 3.14Å; L394-I396 VanDerWaalsContact C-N 3.33Å; L394-I396 PolarHBondContact O-N 3Å; L394-N397 PolarHBondContact O-N 3.29Å; L394-S398 PolarHBondContact O-N 3.3Å; L394-S398 VanDerWaalsContact O-N 3.14Å; L394-S398 PolarHBondContact O-OG 3.38Å |
| 395 | K | 95.5 | Very high | 94.5 | Very high | 92 Ų | 92 | 39.7 Ų | 39.7 | 40% | 0.4 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -60 | -41.3 | -178.8 | -170.4 | -177.6 | 178.5 | -169.2 | 0 | 112 | G391 N392 N397 S398 C399 F402 | G391-K395 VanDerWaalsContact O-CB 3.26Å; G391-K395 WeakPolarHBondContact O-CB 3.5Å; G391-K395 PolarHBondContact O-N 2.79Å; N392-K395 PolarHBondContact O-N 3.22Å; K395-N397 PolarHBondContact O-N 2.86Å; K395-S398 WeakPolarHBondContact CA-OG 3.25Å; K395-S398 PolarHBondContact O-N 2.98Å; K395-S398 VanDerWaalsContact O-N 3.13Å; K395-S398 PolarHBondContact O-OG 3.39Å; K395-C399 HydrophobicContact CG-CB 4.16Å; K395-C399 VanDerWaalsContact O-CB 3.28Å; K395-C399 WeakPolarHBondContact O-CB 3.49Å; K395-C399 PolarHBondContact O-N 3.48Å; K395-F402 HydrophobicContact CB-CD1 4.01Å; K395-F402 HydrophobicContact CB-CE1 4.21Å; K395-F402 HydrophobicContact CD-CB 4.47Å; K395-F402 HydrophobicContact CD-CD1 3.85Å; K395-F402 HydrophobicContact CD-CD2 4.31Å; K395-F402 HydrophobicContact CD-CE1 4.14Å; K395-F402 HydrophobicContact CD-CG 3.95Å; K395-F402 HydrophobicContact CD-CZ 4.48Å; K395-F402 HydrophobicContact CG-CB 4.31Å; K395-F402 HydrophobicContact CG-CD1 3.71Å; K395-F402 HydrophobicContact CG-CE1 4.27Å; K395-F402 HydrophobicContact CG-CG 4.07Å |
| 396 | I | 94.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.8 | -25.1 | -179.2 | -164.6 | 165.6 | 0 | 0 | 0 | 113.2 | M218 I323 F324 M327 N392 M393 L394 F402 F403 M406 | M218-I396 WeakPolarHBondContact CE-O 3.33Å; I323-I396 HydrophobicContact CG2-CD1 4.2Å; F324-I396 HydrophobicContact CD2-CG2 3.54Å; F324-I396 HydrophobicContact CE2-CG2 3.8Å; M327-I396 HydrophobicContact CB-CD1 3.84Å; M327-I396 HydrophobicContact CE-CD1 4.49Å; M327-I396 HydrophobicContact CE-CG2 4.01Å; M327-I396 HydrophobicContact CG-CD1 4.13Å; N392-I396 WeakPolarHBondContact O-CG2 3.34Å; N392-I396 PolarHBondContact O-N 2.95Å; M393-I396 VanDerWaalsContact O-CG2 3.28Å; M393-I396 WeakPolarHBondContact O-CG2 3.33Å; L394-I396 VanDerWaalsContact C-N 3.33Å; L394-I396 PolarHBondContact O-N 3Å; I396-F402 HydrophobicContact CB-CD1 3.88Å; I396-F402 HydrophobicContact CB-CE1 3.94Å; I396-F402 HydrophobicContact CG1-CD1 4.34Å; I396-F403 HydrophobicContact CD1-CD2 4.14Å; I396-F403 HydrophobicContact CG1-CB 4.27Å; I396-F403 HydrophobicContact CG1-CD2 3.71Å; I396-F403 HydrophobicContact CG1-CG 4.49Å; I396-M406 HydrophobicContact CD1-CG 4.04Å |
| 397 | N | 91.5 | Very high | 94.2 | Very high | 29 Ų | 29 | 40 Ų | 40 | 16% | 0.155 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -85 | -26.8 | 175.1 | -73.4 | -96.3 | 0 | 0 | 0 | 112.8 | P215 Y357 M393 L394 K395 | P215-N397 WeakPolarHBondContact CD-OD1 3.31Å; P215-N397 WeakPolarHBondContact CG-OD1 3.2Å; Y357-N397 WeakPolarHBondContact CE1-ND2 3.3Å; M393-N397 PolarHBondContact O-ND2 2.88Å; L394-N397 PolarHBondContact O-N 3.29Å; K395-N397 PolarHBondContact O-N 2.86Å |
| 398 | S | 92.3 | Very high | 94.1 | Very high | 84 Ų | 84 | 38.6 Ų | 38.6 | 59% | 0.587 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -103.5 | -16.7 | -173.1 | 52.2 | 0 | 0 | 0 | 0 | 114.4 | L394 K395 | L394-S398 PolarHBondContact O-N 3.3Å; L394-S398 VanDerWaalsContact O-N 3.14Å; L394-S398 PolarHBondContact O-OG 3.38Å; K395-S398 WeakPolarHBondContact CA-OG 3.25Å; K395-S398 PolarHBondContact O-N 2.98Å; K395-S398 VanDerWaalsContact O-N 3.13Å; K395-S398 PolarHBondContact O-OG 3.39Å |
| 399 | C | 91.8 | Very high | 94 | Very high | 41 Ų | 41 | 36.6 Ų | 36.6 | 28% | 0.277 | 21% | 0.21 | S | C | . | . | trans | -122.3 | 100.6 | -175.4 | -173.8 | 0 | 0 | 0 | 0 | 110.8 | K395 A401 F402 F403 | K395-C399 HydrophobicContact CG-CB 4.16Å; K395-C399 VanDerWaalsContact O-CB 3.28Å; K395-C399 WeakPolarHBondContact O-CB 3.49Å; K395-C399 PolarHBondContact O-N 3.48Å; C399-A401 PolarHBondContact O-N 3.03Å; C399-A401 VanDerWaalsContact O-N 3.16Å; C399-F402 HydrophobicContact CB-CB 3.94Å; C399-F402 PolarHBondContact O-N 3.14Å; C399-F402 VanDerWaalsContact O-N 3.14Å; C399-F403 PolarHBondContact O-N 2.95Å; C399-F403 VanDerWaalsContact O-N 3.15Å | ||
| 400 | P | 90.6 | Very high | 93.9 | Very high | 58 Ų | 58 | 34.9 Ų | 34.9 | 38% | 0.377 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -54.2 | -34.1 | 176.2 | -21.9 | 27.2 | 0 | 0 | 0 | 113.2 | M218 F403 G404 | M218-P400 HydrophobicContact CE-CB 4.12Å; M218-P400 HydrophobicContact CE-CG 4.2Å; M218-P400 HydrophobicContact SD-CB 3.78Å; M218-P400 HydrophobicContact SD-CG 3.54Å; M218-P400 VanDerWaalsContact SD-CG 3.54Å; P400-F403 PolarHBondContact O-N 2.91Å; P400-G404 PolarHBondContact O-N 3.43Å |
| 401 | A | 92 | Very high | 93.7 | Very high | 32 Ų | 32 | 34.6 Ų | 34.6 | 26% | 0.264 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.7 | -44.1 | -180 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y262 C399 F403 G404 E405 | Y262-A401 WeakPolarHBondContact OH-CA 3.38Å; Y262-A401 WeakPolarHBondContact OH-CB 3.17Å; Y262-A401 PolarHBondContact OH-O 2.81Å; C399-A401 PolarHBondContact O-N 3.03Å; C399-A401 VanDerWaalsContact O-N 3.16Å; A401-F403 PolarHBondContact O-N 2.97Å; A401-G404 PolarHBondContact O-N 3.14Å; A401-E405 WeakPolarHBondContact O-CG 3.47Å; A401-E405 PolarHBondContact O-N 3.16Å |
| 402 | F | 94.6 | Very high | 93.5 | Very high | 19 Ų | 19 | 35.8 Ų | 35.8 | 8% | 0.083 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.6 | -38.2 | 176.7 | -175.6 | -121.3 | 0 | 0 | 0 | 111.8 | M327 N392 K395 I396 C399 E405 M406 | M327-F402 HydrophobicContact CG-CE1 4.22Å; M327-F402 HydrophobicContact CG-CZ 4.15Å; N392-F402 HydrophobicContact CB-CE1 4.34Å; N392-F402 HydrophobicContact CB-CZ 4.38Å; K395-F402 HydrophobicContact CB-CD1 4.01Å; K395-F402 HydrophobicContact CB-CE1 4.21Å; K395-F402 HydrophobicContact CD-CB 4.47Å; K395-F402 HydrophobicContact CD-CD1 3.85Å; K395-F402 HydrophobicContact CD-CD2 4.31Å; K395-F402 HydrophobicContact CD-CE1 4.14Å; K395-F402 HydrophobicContact CD-CG 3.95Å; K395-F402 HydrophobicContact CD-CZ 4.48Å; K395-F402 HydrophobicContact CG-CB 4.31Å; K395-F402 HydrophobicContact CG-CD1 3.71Å; K395-F402 HydrophobicContact CG-CE1 4.27Å; K395-F402 HydrophobicContact CG-CG 4.07Å; I396-F402 HydrophobicContact CB-CD1 3.88Å; I396-F402 HydrophobicContact CB-CE1 3.94Å; I396-F402 HydrophobicContact CG1-CD1 4.34Å; C399-F402 HydrophobicContact CB-CB 3.94Å; C399-F402 PolarHBondContact O-N 3.14Å; C399-F402 VanDerWaalsContact O-N 3.14Å; F402-E405 PolarHBondContact O-N 2.67Å; F402-M406 HydrophobicContact CD2-CE 4.4Å; F402-M406 HydrophobicContact CE2-CE 3.97Å; F402-M406 HydrophobicContact CE2-SD 4.38Å; F402-M406 HydrophobicContact CZ-SD 4.36Å; F402-M406 WeakPolarHBondContact O-CG 3.32Å; F402-M406 PolarHBondContact O-N 3.09Å; F402-M406 VanDerWaalsContact O-N 3.15Å |
| 403 | F | 93.4 | Very high | 93.3 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.2 | -42.7 | 172.3 | -175.3 | -105.2 | 0 | 0 | 0 | 112.1 | P215 M218 Y219 A320 I323 I396 C399 P400 A401 E405 M406 I407 | P215-F403 HydrophobicContact CB-CE2 4.26Å; M218-F403 HydrophobicContact CB-CD1 4.11Å; M218-F403 HydrophobicContact CB-CE1 4.2Å; M218-F403 HydrophobicContact CE-CB 3.71Å; M218-F403 HydrophobicContact CE-CG 4.18Å; Y219-F403 HydrophobicContact CD2-CE1 4.3Å; Y219-F403 HydrophobicContact CD2-CZ 4.24Å; A320-F403 HydrophobicContact CB-CZ 4.29Å; I323-F403 HydrophobicContact CB-CE2 3.85Å; I323-F403 HydrophobicContact CB-CZ 4.33Å; I323-F403 HydrophobicContact CG1-CE2 4.49Å; I323-F403 HydrophobicContact CG1-CZ 4.49Å; I323-F403 HydrophobicContact CG2-CD2 3.8Å; I323-F403 HydrophobicContact CG2-CE2 3.58Å; I323-F403 HydrophobicContact CG2-CZ 4.27Å; I396-F403 HydrophobicContact CD1-CD2 4.14Å; I396-F403 HydrophobicContact CG1-CB 4.27Å; I396-F403 HydrophobicContact CG1-CD2 3.71Å; I396-F403 HydrophobicContact CG1-CG 4.49Å; C399-F403 PolarHBondContact O-N 2.95Å; C399-F403 VanDerWaalsContact O-N 3.15Å; P400-F403 PolarHBondContact O-N 2.91Å; A401-F403 PolarHBondContact O-N 2.97Å; F403-E405 PolarHBondContact O-N 3.33Å; F403-M406 PolarHBondContact O-N 2.81Å; F403-I407 HydrophobicContact CD1-CD1 3.56Å; F403-I407 HydrophobicContact CD1-CG1 4.43Å; F403-I407 HydrophobicContact CE1-CD1 3.21Å; F403-I407 HydrophobicContact CE1-CG1 4.18Å; F403-I407 HydrophobicContact CG-CD1 4.44Å; F403-I407 HydrophobicContact CZ-CD1 3.85Å; F403-I407 HydrophobicContact CZ-CG1 4.43Å; F403-I407 PolarHBondContact O-N 2.98Å |
| 404 | G | 91.5 | Very high | 92.6 | Very high | 2 Ų | 2 | 35.8 Ų | 35.8 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -40.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | P400 A401 I407 L408 | P400-G404 PolarHBondContact O-N 3.43Å; A401-G404 PolarHBondContact O-N 3.14Å; G404-I407 PolarHBondContact O-N 3.07Å; G404-L408 WeakPolarHBondContact O-CG 3.44Å; G404-L408 PolarHBondContact O-N 3.38Å |
| 405 | E | 94.4 | Very high | 91.7 | Very high | 100 Ų | 100 | 41.9 Ų | 41.9 | 47% | 0.467 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59 | -46.6 | 172.8 | -73.1 | 167 | -168.5 | 0 | 0 | 111.6 | A401 F402 F403 I407 L408 E409 | A401-E405 WeakPolarHBondContact O-CG 3.47Å; A401-E405 PolarHBondContact O-N 3.16Å; F402-E405 PolarHBondContact O-N 2.67Å; F403-E405 PolarHBondContact O-N 3.33Å; E405-I407 PolarHBondContact O-N 2.72Å; E405-L408 PolarHBondContact O-N 3.37Å; E405-E409 WeakPolarHBondContact O-CB 3.45Å; E405-E409 PolarHBondContact O-N 3.45Å |
| 406 | M | 95.4 | Very high | 90.3 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.5 | -37.1 | 179 | -62.5 | -55.4 | 89.4 | 0 | 0 | 112.5 | I323 F326 M327 R330 I396 F402 F403 L410 | I323-M406 HydrophobicContact CG2-CB 3.59Å; F326-M406 HydrophobicContact CD1-CB 4.44Å; F326-M406 HydrophobicContact CE1-SD 4.49Å; M327-M406 HydrophobicContact CB-CG 4.17Å; M327-M406 HydrophobicContact CB-SD 4.09Å; M327-M406 HydrophobicContact CG-CG 4.4Å; M327-M406 HydrophobicContact CG-SD 4.13Å; R330-M406 PolarHBondContact NH1-SD 3.3Å; I396-M406 HydrophobicContact CD1-CG 4.04Å; F402-M406 HydrophobicContact CD2-CE 4.4Å; F402-M406 HydrophobicContact CE2-CE 3.97Å; F402-M406 HydrophobicContact CE2-SD 4.38Å; F402-M406 HydrophobicContact CZ-SD 4.36Å; F402-M406 WeakPolarHBondContact O-CG 3.32Å; F402-M406 PolarHBondContact O-N 3.09Å; F402-M406 VanDerWaalsContact O-N 3.15Å; F403-M406 PolarHBondContact O-N 2.81Å; M406-L410 WeakPolarHBondContact O-CB 3.4Å; M406-L410 PolarHBondContact O-N 2.83Å |
| 407 | I | 92.6 | Very high | 88.7 | Confident | 10 Ų | 10 | 48.4 Ų | 48.4 | 5% | 0.051 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.6 | -50.9 | 173.7 | -73.6 | 168.4 | 0 | 0 | 0 | 111 | Y219 V265 I323 F403 G404 E405 E409 L410 A411 | Y219-I407 HydrophobicContact CD2-CD1 4.19Å; V265-I407 HydrophobicContact CB-CG2 3.58Å; V265-I407 HydrophobicContact CG1-CG2 3.95Å; V265-I407 HydrophobicContact CG2-CG2 3.76Å; I323-I407 HydrophobicContact CD1-CB 4.33Å; I323-I407 HydrophobicContact CD1-CG1 3.72Å; I323-I407 HydrophobicContact CG1-CG1 3.65Å; I323-I407 HydrophobicContact CG2-CG1 4.09Å; F403-I407 HydrophobicContact CD1-CD1 3.56Å; F403-I407 HydrophobicContact CD1-CG1 4.43Å; F403-I407 HydrophobicContact CE1-CD1 3.21Å; F403-I407 HydrophobicContact CE1-CG1 4.18Å; F403-I407 HydrophobicContact CG-CD1 4.44Å; F403-I407 HydrophobicContact CZ-CD1 3.85Å; F403-I407 HydrophobicContact CZ-CG1 4.43Å; F403-I407 PolarHBondContact O-N 2.98Å; G404-I407 PolarHBondContact O-N 3.07Å; E405-I407 PolarHBondContact O-N 2.72Å; I407-E409 VanDerWaalsContact C-N 3.33Å; I407-E409 PolarHBondContact O-N 3.01Å; I407-L410 PolarHBondContact O-N 3.28Å; I407-A411 VanDerWaalsContact O-CB 3.26Å; I407-A411 WeakPolarHBondContact O-CB 3.34Å; I407-A411 PolarHBondContact O-N 3.48Å |
| 408 | L | 92.5 | Very high | 86.7 | Confident | 68 Ų | 68 | 56 Ų | 56 | 36% | 0.356 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -62.3 | -44.5 | -177.8 | -74.6 | 179.7 | 0 | 0 | 0 | 110.8 | Y262 V265 G404 E405 A411 T412 | Y262-L408 HydrophobicContact CD1-CD1 3.68Å; Y262-L408 HydrophobicContact CD1-CG 4.26Å; Y262-L408 HydrophobicContact CE1-CD1 4.11Å; V265-L408 HydrophobicContact CG2-CD2 3.86Å; G404-L408 WeakPolarHBondContact O-CG 3.44Å; G404-L408 PolarHBondContact O-N 3.38Å; E405-L408 PolarHBondContact O-N 3.37Å; L408-A411 PolarHBondContact O-N 3.09Å; L408-T412 VanDerWaalsContact O-CG2 3.32Å; L408-T412 WeakPolarHBondContact O-CG2 3.34Å; L408-T412 PolarHBondContact O-N 3.32Å; L408-T412 VanDerWaalsContact O-N 3.14Å |
| 409 | E | 94.5 | Very high | 86.5 | Confident | 43 Ų | 43 | 54.6 Ų | 54.6 | 20% | 0.201 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 177.4 | -174.6 | -180 | 163.9 | 0 | 0 | 111.8 | F326 R330 E405 I407 A411 T412 Y413 | F326-E409 HydrophobicContact CE1-CB 4.22Å; F326-E409 HydrophobicContact CE1-CG 4.14Å; F326-E409 HydrophobicContact CZ-CB 4.47Å; F326-E409 HydrophobicContact CZ-CG 3.93Å; R330-E409 IonicContact CZ-OE1 3.62Å; R330-E409 IonicContact CZ-OE2 2.68Å; R330-E409 IonicContact NE-OE1 3.45Å; R330-E409 PolarHBondContact NE-OE1 3.28Å; R330-E409 IonicContact NE-OE2 2.89Å; R330-E409 IonicContact NH1-OE1 3.86Å; R330-E409 IonicContact NH1-OE2 2.67Å; R330-E409 PolarHBondContact NH1-OE2 3.23Å; R330-E409 IonicContact NH2-OE1 3.53Å; R330-E409 PolarHBondContact NH2-OE1 3Å; R330-E409 IonicContact NH2-OE2 3.09Å; R330-E409 PolarHBondContact NH2-OE2 3.25Å; E405-E409 WeakPolarHBondContact O-CB 3.45Å; E405-E409 PolarHBondContact O-N 3.45Å; I407-E409 VanDerWaalsContact C-N 3.33Å; I407-E409 PolarHBondContact O-N 3.01Å; E409-A411 VanDerWaalsContact C-N 3.28Å; E409-A411 PolarHBondContact O-N 3.05Å; E409-T412 PolarHBondContact O-N 3.37Å; E409-T412 PolarHBondContact O-OG1 3.04Å; E409-Y413 HydrophobicContact CG-CE2 4.38Å; E409-Y413 VanDerWaalsContact O-CD2 3.22Å; E409-Y413 WeakPolarHBondContact O-CD2 3.09Å; E409-Y413 WeakPolarHBondContact O-CE2 3.4Å |
| 410 | L | 95.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 177.8 | -173.6 | 55 | 0 | 0 | 0 | 111.3 | L272 C275 F276 I323 F326 M406 I407 T412 Y413 | L272-L410 HydrophobicContact CB-CD2 4.44Å; L272-L410 HydrophobicContact CD2-CD2 4.06Å; L272-L410 HydrophobicContact CD2-CG 4.46Å; C275-L410 HydrophobicContact CB-CD1 4Å; C275-L410 HydrophobicContact CB-CG 4.07Å; C275-L410 VanDerWaalsContact CB-O 3.3Å; C275-L410 WeakPolarHBondContact CB-O 3.22Å; F276-L410 HydrophobicContact CB-CD1 3.91Å; F276-L410 HydrophobicContact CB-CD2 4.48Å; F276-L410 HydrophobicContact CG-CD1 4.36Å; I323-L410 HydrophobicContact CD1-CB 4.22Å; I323-L410 HydrophobicContact CD1-CD2 3.74Å; F326-L410 HydrophobicContact CB-CD2 4.15Å; F326-L410 HydrophobicContact CD1-CB 4.06Å; F326-L410 HydrophobicContact CD2-CD1 3.69Å; F326-L410 HydrophobicContact CE1-CB 4.12Å; F326-L410 HydrophobicContact CE2-CD1 3.89Å; F326-L410 HydrophobicContact CG-CB 4.32Å; F326-L410 HydrophobicContact CG-CD1 4.06Å; F326-L410 HydrophobicContact CG-CD2 4.21Å; F326-L410 HydrophobicContact CG-CG 4.44Å; F326-L410 HydrophobicContact CZ-CB 4.43Å; F326-L410 HydrophobicContact CZ-CD1 4.42Å; M406-L410 WeakPolarHBondContact O-CB 3.4Å; M406-L410 PolarHBondContact O-N 2.83Å; I407-L410 PolarHBondContact O-N 3.28Å; L410-T412 VanDerWaalsContact C-N 3.3Å; L410-T412 PolarHBondContact O-N 3.48Å; L410-Y413 PolarHBondContact O-N 2.89Å |
| 411 | A | 91.6 | Very high | 85.9 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.2 | -21.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | V265 I407 L408 E409 Y413 G414 | V265-A411 HydrophobicContact CG1-CB 3.8Å; I407-A411 VanDerWaalsContact O-CB 3.26Å; I407-A411 WeakPolarHBondContact O-CB 3.34Å; I407-A411 PolarHBondContact O-N 3.48Å; L408-A411 PolarHBondContact O-N 3.09Å; E409-A411 VanDerWaalsContact C-N 3.28Å; E409-A411 PolarHBondContact O-N 3.05Å; A411-Y413 VanDerWaalsContact C-N 3.29Å; A411-Y413 PolarHBondContact O-N 2.91Å; A411-G414 PolarHBondContact O-N 3.11Å |
| 412 | T | 91.7 | Very high | 85.6 | Confident | 58 Ų | 58 | 56.5 Ų | 56.5 | 36% | 0.356 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.1 | -36.2 | 176.5 | 61.7 | 0 | 0 | 0 | 0 | 111.8 | L408 E409 L410 G414 K415 E416 | L408-T412 VanDerWaalsContact O-CG2 3.32Å; L408-T412 WeakPolarHBondContact O-CG2 3.34Å; L408-T412 PolarHBondContact O-N 3.32Å; L408-T412 VanDerWaalsContact O-N 3.14Å; E409-T412 PolarHBondContact O-N 3.37Å; E409-T412 PolarHBondContact O-OG1 3.04Å; L410-T412 VanDerWaalsContact C-N 3.3Å; L410-T412 PolarHBondContact O-N 3.48Å; T412-G414 PolarHBondContact O-N 3.18Å; T412-K415 PolarHBondContact O-N 3.37Å; T412-K415 VanDerWaalsContact O-N 3.15Å; T412-E416 PolarHBondContact O-N 3.37Å |
| 413 | Y | 92.1 | Very high | 85 | Confident | 47 Ų | 47 | 58.8 Ų | 58.8 | 18% | 0.184 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.9 | -22.7 | 179.1 | -65.1 | -76.4 | 0 | 0 | 0 | 113.7 | C275 Y279 E409 L410 A411 | C275-Y413 WeakPolarHBondContact O-CB 3.21Å; Y279-Y413 HydrophobicContact CD2-CD2 4.19Å; Y279-Y413 AromaticContact CD2-CE1 3.97Å; Y279-Y413 HydrophobicContact CD2-CE1 3.97Å; Y279-Y413 AromaticContact CD2-CE2 3.54Å; Y279-Y413 HydrophobicContact CD2-CE2 3.54Å; Y279-Y413 AromaticContact CD2-CZ 3.43Å; Y279-Y413 VanDerWaalsContact CD2-CZ 3.43Å; Y279-Y413 WeakPolarHBondContact CD2-OH 3.37Å; Y279-Y413 HydrophobicContact CE2-CE2 4.33Å; Y279-Y413 HydrophobicContact CG-CE2 4.3Å; E409-Y413 HydrophobicContact CG-CE2 4.38Å; E409-Y413 VanDerWaalsContact O-CD2 3.22Å; E409-Y413 WeakPolarHBondContact O-CD2 3.09Å; E409-Y413 WeakPolarHBondContact O-CE2 3.4Å; L410-Y413 PolarHBondContact O-N 2.89Å; A411-Y413 VanDerWaalsContact C-N 3.29Å; A411-Y413 PolarHBondContact O-N 2.91Å |
| 414 | G | 81.3 | Confident | 84.5 | Confident | 3 Ų | 3 | 62.7 Ų | 62.7 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -73.3 | -38.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | R274 C275 A411 T412 | R274-G414 VanDerWaalsContact NH2-C 3.33Å; R274-G414 PolarHBondContact NH2-O 2.82Å; C275-G414 WeakPolarHBondContact SG-CA 3.46Å; C275-G414 PolarHBondContact SG-N 2.99Å; C275-G414 VanDerWaalsContact SG-N 3.42Å; A411-G414 PolarHBondContact O-N 3.11Å; T412-G414 PolarHBondContact O-N 3.18Å |
| 415 | K | 76.1 | Confident | 84 | Confident | 171 Ų | 171 | 67 Ų | 67 | 74% | 0.743 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -75.4 | -26.4 | -176.5 | -64.5 | -179.3 | -179.4 | 177.5 | 0 | 113.5 | T412 | T412-K415 PolarHBondContact O-N 3.37Å; T412-K415 VanDerWaalsContact O-N 3.15Å |
| 416 | E | 66.7 | Low | 83.2 | Confident | 115 Ų | 115 | 64.5 Ų | 64.5 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 1.9 | -172.7 | -65.2 | 176.1 | -167.1 | 0 | 0 | 113.4 | R282 T412 | R282-E416 IonicContact CZ-OE2 3.52Å; R282-E416 IonicContact NH1-OE2 3.49Å; R282-E416 PolarHBondContact NH1-OE2 3.17Å; R282-E416 VanDerWaalsContact NH2-CB 3.31Å; R282-E416 PolarHBondContact NH2-O 3.48Å; R282-E416 IonicContact NH2-OE2 3.62Å; T412-E416 PolarHBondContact O-N 3.37Å |
| 417 | Y | 61.9 | Low | 82.2 | Confident | 115 Ų | 115 | 69.5 Ų | 69.5 | 45% | 0.451 | 34% | 0.338 | S | S | . | . | trans | -111.6 | -6.4 | -176.4 | -163.2 | -93 | 0 | 0 | 0 | 113.8 | I278 | I278-Y417 HydrophobicContact CB-CD2 4.37Å; I278-Y417 HydrophobicContact CD1-CD1 3.69Å; I278-Y417 HydrophobicContact CD1-CD2 3.94Å; I278-Y417 HydrophobicContact CD1-CE1 4.39Å; I278-Y417 HydrophobicContact CD1-CG 3.42Å; I278-Y417 VanDerWaalsContact CD1-CG 3.42Å; I278-Y417 HydrophobicContact CG1-CD1 4.15Å; I278-Y417 HydrophobicContact CG1-CD2 3.75Å; I278-Y417 HydrophobicContact CG1-CE1 4.46Å; I278-Y417 HydrophobicContact CG1-CE2 4.09Å; I278-Y417 HydrophobicContact CG1-CG 3.79Å; I278-Y417 HydrophobicContact CG2-CD2 3.68Å; I278-Y417 HydrophobicContact CG2-CE2 4.4Å; I278-Y417 HydrophobicContact CG2-CG 4.18Å | ||
| 418 | D | 49.8 | Very low | 81.2 | Confident | 187 Ų | 187 | 74.9 Ų | 74.9 | 100% | 1 | 36% | 0.364 | S | S | * | . | trans | -88.9 | 0 | 166.5 | -60.1 | -25.8 | 0 | 0 | 0 | 109.2 | R274 | R274-D418 IonicContact NH1-OD1 2.66Š|
Retrieved 418 of 418 residues in 804.7 ms
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