| 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 | 30 | Very low | 30.4 | Very low | 234 Ų | 234 | 175.3 Ų | 175.3 | 100% | 1.153 | 86% | 0.861 | S | S | * | * | 0 | 98.8 | 0 | -164.7 | -177.3 | -95.1 | 0 | 0 | 106.7 | |||||
| 2 | I | 33.5 | Very low | 30.2 | Very low | 159 Ų | 159 | 173.5 Ų | 173.5 | 82% | 0.815 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 117.5 | -174.2 | -60.5 | 170.8 | 0 | 0 | 0 | 107.7 | L4 | I2-L4 HydrophobicContact CG2-CD1 4.36Š|
| 3 | K | 28 | Very low | 30 | Very low | 190 Ų | 190 | 176.5 Ų | 176.5 | 83% | 0.826 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 117.7 | 167.3 | -89.6 | -175.4 | 173.5 | -178.7 | 0 | 107.9 | ||
| 4 | L | 29.9 | Very low | 29.8 | Very low | 164 Ų | 164 | 174.3 Ų | 174.3 | 86% | 0.859 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 127.2 | 167.1 | -83.4 | 128.8 | 0 | 0 | 0 | 108.4 | I2 | I2-L4 HydrophobicContact CG2-CD1 4.36Š|
| 5 | T | 30 | Very low | 30.4 | Very low | 123 Ų | 123 | 174.7 Ų | 174.7 | 76% | 0.755 | 86% | 0.855 | S | S | * | * | trans | -132.2 | 112.5 | 170.4 | -42.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 6 | A | 33 | Very low | 30.3 | Very low | 104 Ų | 104 | 170.8 Ų | 170.8 | 86% | 0.86 | 85% | 0.851 | S | S | * | * | trans | -85.7 | 124.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 7 | V | 32.4 | Very low | 30.2 | Very low | 120 Ų | 120 | 169.9 Ų | 169.9 | 73% | 0.727 | 86% | 0.857 | S | S | * | * | trans | -111.5 | 108.3 | 171.3 | 175.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 8 | E | 32.3 | Very low | 30.6 | Very low | 178 Ų | 178 | 164.6 Ų | 164.6 | 83% | 0.832 | 85% | 0.851 | S | S | * | * | trans | -92.6 | 107.2 | 176.1 | -168.9 | 172.4 | -178.3 | 0 | 0 | 108.9 | ||||
| 9 | R | 29.9 | Very low | 31 | Very low | 230 Ų | 230 | 161.3 Ų | 161.3 | 87% | 0.868 | 84% | 0.844 | S | S | * | * | trans | -92.3 | 113.8 | 169.2 | -86.9 | -167.2 | -115.9 | -176.2 | -0.9 | 109.4 | ||||
| 10 | R | 27.9 | Very low | 31.5 | Very low | 237 Ų | 237 | 157.7 Ų | 157.7 | 89% | 0.894 | 83% | 0.833 | S | S | * | * | trans | -84.6 | 119 | 175.7 | -144.7 | -177.5 | -140.1 | -173.6 | 4.8 | 109.1 | ||||
| 11 | Q | 27.5 | Very low | 32.1 | Very low | 189 Ų | 189 | 157.8 Ų | 157.8 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -123.1 | 123.3 | 170.9 | -158.4 | 153.5 | -15.8 | 0 | 0 | 108.8 | ||||
| 12 | E | 28.2 | Very low | 32.5 | Very low | 154 Ų | 154 | 150.6 Ų | 150.6 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -74.7 | 145.4 | -176.1 | -75.6 | -173.1 | 166.5 | 0 | 0 | 113 | ||||
| 13 | R | 27.1 | Very low | 32.7 | Very low | 213 Ų | 213 | 148.9 Ų | 148.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 64.3 | 86.2 | 160.3 | -79.7 | -179.6 | -90.1 | -170.5 | -8.4 | 117.6 | ||
| 14 | T | 28.1 | Very low | 33.1 | Very low | 145 Ų | 145 | 143 Ų | 143 | 89% | 0.89 | 77% | 0.774 | S | S | * | * | 180 | 153.3 | 100.3 | 29 | 0 | 0 | 0 | 0 | 108.9 | S16 | T14-S16 PolarHBondContact O-N 3.37Š| |||
| 15 | L | 38 | Very low | 33.7 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 95% | 0.948 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -61 | 100.5 | -160.2 | -159.7 | 82.1 | 0 | 0 | 0 | 115.6 | ||
| 16 | S | 29.5 | Very low | 33.9 | Very low | 111 Ų | 111 | 142.4 Ų | 142.4 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | trans | -166.5 | 107.7 | 147.2 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | T14 G18 | T14-S16 PolarHBondContact O-N 3.37Å; S16-G18 PolarHBondContact O-N 3.13Å | ||
| 17 | T | 27.6 | Very low | 34 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 96% | 0.963 | 74% | 0.744 | S | S | * | * | trans | -74.6 | 105.5 | 171.9 | 42.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 18 | G | 37.4 | Very low | 35.2 | Very low | 73 Ų | 73 | 141.5 Ų | 141.5 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | trans | -130 | 115.1 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109 | S16 | S16-G18 PolarHBondContact O-N 3.13Š| ||
| 19 | S | 37.7 | Very low | 35.6 | Very low | 102 Ų | 102 | 143 Ų | 143 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | -83.2 | 123.1 | 176 | 29.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 20 | S | 42.3 | Very low | 35.7 | Very low | 90 Ų | 90 | 139 Ų | 139 | 63% | 0.629 | 74% | 0.744 | S | S | * | * | trans | -92.2 | 128.3 | 174.7 | -143.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 21 | F | 44.5 | Very low | 36.1 | Very low | 159 Ų | 159 | 133.5 Ų | 133.5 | 70% | 0.697 | 73% | 0.729 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.4 | 174.8 | -78.6 | -91.2 | 0 | 0 | 0 | 110 | ||
| 22 | S | 37.6 | Very low | 36.7 | Very low | 84 Ų | 84 | 127.6 Ų | 127.6 | 59% | 0.587 | 71% | 0.706 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.5 | 125.3 | 174.7 | 60.3 | 0 | 0 | 0 | 0 | 109.8 | D35 | S22-D35 VanDerWaalsContact CB-OD1 3.23Å; S22-D35 WeakPolarHBondContact CB-OD1 3.43Å |
| 23 | L | 37.4 | Very low | 37.1 | Very low | 123 Ų | 123 | 124 Ų | 124 | 64% | 0.644 | 70% | 0.695 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109 | 121.8 | 172.6 | -143 | 97.3 | 0 | 0 | 0 | 109.4 | T34 | L23-T34 PolarHBondContact N-O 3.37Å; L23-T34 PolarHBondContact O-N 2.87Å; L23-T34 VanDerWaalsContact O-N 3.14Å |
| 24 | S | 36.7 | Very low | 37.7 | Very low | 66 Ų | 66 | 117 Ų | 117 | 46% | 0.462 | 68% | 0.675 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.9 | 133.1 | 174.4 | -75.5 | 0 | 0 | 0 | 0 | 110.8 | V32 T33 | S24-V32 WeakPolarHBondContact CA-O 3.23Å; S24-T33 WeakPolarHBondContact OG-CG2 3.28Å; S24-T33 PolarHBondContact OG-OG1 3Å; S24-T33 VanDerWaalsContact OG-OG1 3.07Å |
| 25 | Y | 41.8 | Very low | 38.1 | Very low | 129 Ų | 129 | 115.1 Ų | 115.1 | 51% | 0.506 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -135.7 | 147.3 | 167.6 | 65.1 | -88.4 | 0 | 0 | 0 | 111.2 | L27 V32 | Y25-L27 HydrophobicContact CD2-CD1 3.9Å; Y25-L27 HydrophobicContact CE2-CD1 3.92Å; Y25-V32 PolarHBondContact N-O 3.35Å; Y25-V32 PolarHBondContact O-N 3.44Å |
| 26 | K | 35.5 | Very low | 38 | Very low | 146 Ų | 146 | 114.3 Ų | 114.3 | 64% | 0.635 | 65% | 0.649 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 126.6 | 179.1 | -93.4 | -174.1 | 174.2 | 178 | 0 | 111 | E31 | K26-E31 WeakPolarHBondContact CE-OE2 3.09Å; K26-E31 HydrophobicContact CG-CB 4.38Å; K26-E31 HydrophobicContact CG-CG 4.26Å; K26-E31 IonicContact NZ-OE2 3.61Å |
| 27 | L | 35.2 | Very low | 38.3 | Very low | 133 Ų | 133 | 116.3 Ų | 116.3 | 70% | 0.696 | 65% | 0.65 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -118.6 | 104.2 | 163.4 | -114.4 | 88.9 | 0 | 0 | 0 | 108.1 | Y25 Q29 M30 | Y25-L27 HydrophobicContact CD2-CD1 3.9Å; Y25-L27 HydrophobicContact CE2-CD1 3.92Å; L27-Q29 PolarHBondContact O-N 3.37Å; L27-M30 PolarHBondContact N-O 3.38Å; L27-M30 PolarHBondContact O-N 3.21Å |
| 28 | G | 57.5 | Low | 38.9 | Very low | 72 Ų | 72 | 115.6 Ų | 115.6 | 74% | 0.742 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63 | -130.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | M30 | G28-M30 VanDerWaalsContact C-N 3.34Š|
| 29 | Q | 40.9 | Very low | 38.6 | Very low | 209 Ų | 209 | 118 Ų | 118 | 98% | 0.977 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 3.7 | 178.7 | -77 | -176.1 | -18 | 0 | 0 | 114.1 | L27 | L27-Q29 PolarHBondContact O-N 3.37Š|
| 30 | M | 31.9 | Very low | 38.4 | Very low | 145 Ų | 145 | 119.6 Ų | 119.6 | 71% | 0.714 | 65% | 0.647 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 132 | 176.4 | -112.4 | 174.7 | -156.6 | 0 | 0 | 111.1 | L27 G28 | L27-M30 PolarHBondContact N-O 3.38Å; L27-M30 PolarHBondContact O-N 3.21Å; G28-M30 VanDerWaalsContact C-N 3.34Å |
| 31 | E | 36.6 | Very low | 37.6 | Very low | 123 Ų | 123 | 121.6 Ų | 121.6 | 58% | 0.575 | 66% | 0.655 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.6 | 119 | 174.4 | -168.1 | 156.7 | -164.7 | 0 | 0 | 107.9 | K26 | K26-E31 WeakPolarHBondContact CE-OE2 3.09Å; K26-E31 HydrophobicContact CG-CB 4.38Å; K26-E31 HydrophobicContact CG-CG 4.26Å; K26-E31 IonicContact NZ-OE2 3.61Å |
| 32 | V | 39.5 | Very low | 37 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 39% | 0.394 | 66% | 0.66 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 124 | -177.5 | -178.5 | 0 | 0 | 0 | 0 | 108 | S24 Y25 | S24-V32 WeakPolarHBondContact CA-O 3.23Å; Y25-V32 PolarHBondContact N-O 3.35Å; Y25-V32 PolarHBondContact O-N 3.44Å |
| 33 | T | 37 | Very low | 36.4 | Very low | 79 Ų | 79 | 126 Ų | 126 | 49% | 0.485 | 67% | 0.671 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.3 | 179 | -49.2 | 0 | 0 | 0 | 0 | 108.7 | S24 | S24-T33 WeakPolarHBondContact OG-CG2 3.28Å; S24-T33 PolarHBondContact OG-OG1 3Å; S24-T33 VanDerWaalsContact OG-OG1 3.07Å |
| 34 | T | 38 | Very low | 36 | Very low | 64 Ų | 64 | 126.4 Ų | 126.4 | 39% | 0.393 | 68% | 0.678 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.8 | 179.6 | -4.3 | 0 | 0 | 0 | 0 | 108.9 | L23 | L23-T34 PolarHBondContact N-O 3.37Å; L23-T34 PolarHBondContact O-N 2.87Å; L23-T34 VanDerWaalsContact O-N 3.14Å |
| 35 | D | 37.8 | Very low | 35.6 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 57% | 0.567 | 70% | 0.695 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -107.5 | 132.4 | 177 | -66.9 | -25.6 | 0 | 0 | 0 | 109.5 | S22 | S22-D35 VanDerWaalsContact CB-OD1 3.23Å; S22-D35 WeakPolarHBondContact CB-OD1 3.43Å |
| 36 | F | 35.5 | Very low | 35.1 | Very low | 165 Ų | 165 | 129.1 Ų | 129.1 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.1 | 176 | -78.1 | -89.2 | 0 | 0 | 0 | 110.5 | ||
| 37 | L | 36.7 | Very low | 34.7 | Very low | 153 Ų | 153 | 128.5 Ų | 128.5 | 80% | 0.801 | 72% | 0.719 | S | S | * | * | trans | -118.4 | 126.5 | 170.8 | -87.1 | 151.6 | 0 | 0 | 0 | 109.4 | ||||
| 38 | T | 39 | Very low | 34.9 | Very low | 142 Ų | 142 | 127.6 Ų | 127.6 | 87% | 0.871 | 72% | 0.721 | S | S | * | * | trans | -106.3 | 87.2 | 174 | 31.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 39 | T | 31.5 | Very low | 33.5 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | trans | -168.5 | 114.6 | 151.2 | -8.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 40 | N | 32.6 | Very low | 33 | Very low | 135 Ų | 135 | 127 Ų | 127 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | trans | -96.7 | 115.3 | 168.1 | -77.1 | -12.8 | 0 | 0 | 0 | 109.1 | Y42 | N40-Y42 HydrophobicContact CB-CE2 4.04Š| ||
| 41 | T | 27.2 | Very low | 33.4 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -110.8 | 122.1 | 162.2 | 27.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 42 | Y | 31 | Very low | 33.3 | Very low | 202 Ų | 202 | 132.8 Ų | 132.8 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 120.9 | 176 | -69.1 | -80.2 | 0 | 0 | 0 | 109.7 | N40 | N40-Y42 HydrophobicContact CB-CE2 4.04Š|
| 43 | T | 25.4 | Very low | 33.1 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 122.2 | 170.5 | 44.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 44 | V | 29.3 | Very low | 32.9 | Very low | 132 Ų | 132 | 137 Ų | 137 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 122.5 | 172.8 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | ||
| 45 | S | 28 | Very low | 32.7 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 119.9 | 166.1 | -69.8 | 0 | 0 | 0 | 0 | 109 | ||
| 46 | T | 30 | Very low | 33 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 129.8 | 174.8 | 27.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 47 | T | 28.7 | Very low | 33.7 | Very low | 134 Ų | 134 | 144 Ų | 144 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -126.3 | 133.7 | 159.5 | 47.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 48 | P | 38.9 | Very low | 34.2 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | trans | -92.8 | 128.3 | -178.4 | 34.2 | -27 | 0 | 0 | 0 | 110.7 | ||||
| 49 | D | 27.8 | Very low | 34.8 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | 170.3 | 150.3 | 126.2 | -92.2 | -18.1 | 0 | 0 | 0 | 114.1 | |||||
| 50 | S | 30.4 | Very low | 35.7 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | 89.9 | 106.7 | 168.4 | 69.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 51 | D | 40 | Very low | 36.8 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | -49.3 | 124.4 | 166.8 | -68.4 | -47.4 | 0 | 0 | 0 | 113 | ||||
| 52 | Y | 35.5 | Very low | 38.4 | Very low | 228 Ų | 228 | 138.8 Ų | 138.8 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | trans | -137.8 | 127 | 147 | -100.3 | -86.6 | 0 | 0 | 0 | 107.2 | G54 | Y52-G54 PolarHBondContact O-N 2.82Š| ||
| 53 | D | 35.6 | Very low | 40.4 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | trans | -54.1 | 93.4 | 175.3 | -72.1 | -52 | 0 | 0 | 0 | 110.9 | W55 | D53-W55 PolarHBondContact O-N 3.4Š| ||
| 54 | G | 31.6 | Very low | 42.9 | Very low | 68 Ų | 68 | 129.5 Ų | 129.5 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | -81.5 | 102.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | Y52 | Y52-G54 PolarHBondContact O-N 2.82Š| ||
| 55 | W | 35 | Very low | 45.2 | Very low | 232 Ų | 232 | 129.2 Ų | 129.2 | 88% | 0.879 | 73% | 0.732 | S | S | * | * | trans | -48.9 | 130.9 | 156.8 | -71.8 | 84.5 | 0 | 0 | 0 | 108.2 | D53 T57 | D53-W55 PolarHBondContact O-N 3.4Å; W55-T57 VanDerWaalsContact C-N 3.34Å; W55-T57 PolarHBondContact O-N 2.96Å | ||
| 56 | P | 44.4 | Very low | 47.6 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | trans | -69 | 98.7 | 178.3 | 16.9 | -12.7 | 0 | 0 | 0 | 108 | D58 | P56-D58 PolarHBondContact O-N 2.73Š| ||
| 57 | T | 49.8 | Very low | 50 | Low | 129 Ų | 129 | 129.8 Ų | 129.8 | 79% | 0.791 | 70% | 0.702 | S | S | * | * | trans | -71.2 | 82.6 | 158.6 | 49.8 | 0 | 0 | 0 | 0 | 107.1 | W55 D59 | W55-T57 VanDerWaalsContact C-N 3.34Å; W55-T57 PolarHBondContact O-N 2.96Å; T57-D59 PolarHBondContact O-N 3.09Å | ||
| 58 | D | 47.2 | Very low | 52.6 | Low | 136 Ų | 136 | 123.8 Ų | 123.8 | 73% | 0.727 | 67% | 0.665 | S | S | * | * | trans | -82 | 73.4 | 157.4 | -159.3 | 10.2 | 0 | 0 | 0 | 107.2 | P56 T60 | P56-D58 PolarHBondContact O-N 2.73Å; D58-T60 PolarHBondContact O-N 3.31Å | ||
| 59 | D | 50.8 | Low | 54.6 | Low | 145 Ų | 145 | 121.4 Ų | 121.4 | 78% | 0.775 | 64% | 0.641 | S | S | * | * | trans | -82.1 | 66 | 177.7 | -159.8 | 12 | 0 | 0 | 0 | 109.1 | T57 | T57-D59 PolarHBondContact O-N 3.09Š| ||
| 60 | T | 50.2 | Low | 57.4 | Low | 77 Ų | 77 | 118.2 Ų | 118.2 | 47% | 0.472 | 62% | 0.624 | S | S | . | * | trans | -87 | 124.9 | 140.2 | 61.2 | 0 | 0 | 0 | 0 | 104.4 | D58 M62 | D58-T60 PolarHBondContact O-N 3.31Å; T60-M62 PolarHBondContact O-N 3.12Å | ||
| 61 | G | 55.9 | Low | 60.1 | Low | 80 Ų | 80 | 116.2 Ų | 116.2 | 83% | 0.825 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -64.8 | 33.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 62 | M | 61.6 | Low | 62.2 | Low | 137 Ų | 137 | 111.1 Ų | 111.1 | 68% | 0.675 | 57% | 0.57 | S | S | * | * | trans | -109.8 | 114 | 176.2 | -56.8 | -170.7 | -50.3 | 0 | 0 | 108.4 | T60 D64 | T60-M62 PolarHBondContact O-N 3.12Å; M62-D64 PolarHBondContact O-N 3.2Å | ||
| 63 | C | 73.2 | Confident | 64.7 | Low | 41 Ų | 41 | 102 Ų | 102 | 28% | 0.277 | 54% | 0.539 | S | S | . | . | trans | -63.1 | 133.5 | 175.6 | -53.9 | 0 | 0 | 0 | 0 | 111.2 | R65 C316 | C63-R65 PolarHBondContact O-N 2.84Å; C63-C316 VanDerWaalsContact CA-SG 3.52Å; C63-C316 HydrophobicContact CB-CB 3.64Å; C63-C316 WeakPolarHBondContact CB-SG 3.05Å; C63-C316 WeakPolarHBondContact SG-CA 3.5Å; C63-C316 WeakPolarHBondContact SG-CB 3.45Å; C63-C316 CovalentContact SG-SG 2.04Å; C63-C316 PolarHBondContact SG-SG 3.43Å | ||
| 64 | D | 76.3 | Confident | 67.3 | Low | 101 Ų | 101 | 101.4 Ų | 101.4 | 54% | 0.54 | 53% | 0.532 | S | S | . | . | trans | -67.8 | 118 | 172.3 | -175.1 | 8.2 | 0 | 0 | 0 | 110.8 | M62 R66 | M62-D64 PolarHBondContact O-N 3.2Å; D64-R66 VanDerWaalsContact OD1-CB 3.32Å; D64-R66 WeakPolarHBondContact OD1-CB 3.18Å; D64-R66 WeakPolarHBondContact OD1-CD 3.45Å; D64-R66 WeakPolarHBondContact OD1-CG 3.3Å; D64-R66 PolarHBondContact OD1-N 3.09Å | ||
| 65 | R | 77.4 | Confident | 70.1 | Confident | 125 Ų | 125 | 101.8 Ų | 101.8 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | trans | -107.1 | 5.2 | -178.8 | -65.9 | 178.1 | 178.5 | -122.7 | -7.1 | 113.2 | C63 W67 V68 R69 D323 | C63-R65 PolarHBondContact O-N 2.84Å; R65-W67 PolarHBondContact O-N 3.45Å; R65-V68 WeakPolarHBondContact O-CB 3.48Å; R65-V68 PolarHBondContact O-N 3.29Å; R65-R69 PolarHBondContact O-N 2.98Å; R65-D323 IonicContact CZ-OD2 3.34Å; R65-D323 IonicContact NH1-OD1 3.99Å; R65-D323 IonicContact NH1-OD2 2.77Å; R65-D323 PolarHBondContact NH1-OD2 3.38Å; R65-D323 IonicContact NH2-OD2 3.77Å | ||
| 66 | R | 79.7 | Confident | 72.7 | Confident | 136 Ų | 136 | 90.7 Ų | 90.7 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -57.8 | -47.5 | -174.6 | -73.6 | 170.9 | 179.6 | 161.6 | 3.4 | 112.8 | D64 V68 R69 D70 E220 | D64-R66 VanDerWaalsContact OD1-CB 3.32Å; D64-R66 WeakPolarHBondContact OD1-CB 3.18Å; D64-R66 WeakPolarHBondContact OD1-CD 3.45Å; D64-R66 WeakPolarHBondContact OD1-CG 3.3Å; D64-R66 PolarHBondContact OD1-N 3.09Å; R66-V68 VanDerWaalsContact C-N 3.27Å; R66-V68 PolarHBondContact O-N 3.42Å; R66-R69 PolarHBondContact O-N 3.08Å; R66-R69 VanDerWaalsContact O-N 3.1Å; R66-D70 PolarHBondContact O-N 3.24Å; R66-E220 IonicContact CZ-OE1 3.41Å; R66-E220 IonicContact NE-OE1 3.66Å; R66-E220 PolarHBondContact NE-OE1 3.41Å; R66-E220 IonicContact NH2-OE1 3.3Å; R66-E220 PolarHBondContact NH2-OE1 2.89Å; R66-E220 VanDerWaalsContact NH2-OE1 3.13Å |
| 67 | W | 81.1 | Confident | 75 | Confident | 128 Ų | 128 | 85.4 Ų | 85.4 | 49% | 0.485 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -35 | -179.5 | 80.3 | -92.4 | 0 | 0 | 0 | 112.8 | R65 R69 D70 F71 S320 V324 | R65-W67 PolarHBondContact O-N 3.45Å; W67-R69 VanDerWaalsContact C-N 3.35Å; W67-D70 PolarHBondContact O-N 3.28Å; W67-F71 WeakPolarHBondContact O-CB 3.34Å; W67-F71 PolarHBondContact O-N 2.82Å; W67-S320 WeakPolarHBondContact CZ2-OG 3.47Å; W67-S320 PolarHBondContact NE1-OG 3.49Å; W67-V324 HydrophobicContact CH2-CB 4.44Å; W67-V324 HydrophobicContact CH2-CG2 3.44Å; W67-V324 VanDerWaalsContact CH2-CG2 3.44Å; W67-V324 HydrophobicContact CZ2-CG2 4.23Å; W67-V324 HydrophobicContact CZ3-CG2 3.66Å |
| 68 | V | 81.9 | Confident | 77.1 | Confident | 7 Ų | 7 | 82.5 Ų | 82.5 | 4% | 0.042 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67 | -38.5 | 177.3 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | R65 R66 R72 S320 D323 V324 Q327 | R65-V68 WeakPolarHBondContact O-CB 3.48Å; R65-V68 PolarHBondContact O-N 3.29Å; R66-V68 VanDerWaalsContact C-N 3.27Å; R66-V68 PolarHBondContact O-N 3.42Å; V68-R72 WeakPolarHBondContact O-CB 3.26Å; V68-R72 PolarHBondContact O-N 3.45Å; V68-S320 WeakPolarHBondContact CG2-OG 3.33Å; V68-D323 HydrophobicContact CG1-CB 3.96Å; V68-V324 HydrophobicContact CB-CG2 4.41Å; V68-V324 HydrophobicContact CG1-CG2 3.97Å; V68-V324 HydrophobicContact CG2-CG2 4.06Å; V68-Q327 PolarHBondContact O-NE2 3.33Å |
| 69 | R | 81.9 | Confident | 79.3 | Confident | 64 Ų | 64 | 78.5 Ų | 78.5 | 24% | 0.242 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -73.3 | -39.3 | 177.4 | -170.5 | 176.3 | 61.7 | -159.6 | -8 | 111.9 | R65 R66 W67 R72 S73 E220 Q222 | R65-R69 PolarHBondContact O-N 2.98Å; R66-R69 PolarHBondContact O-N 3.08Å; R66-R69 VanDerWaalsContact O-N 3.1Å; W67-R69 VanDerWaalsContact C-N 3.35Å; R69-R72 WeakPolarHBondContact O-CB 3.38Å; R69-R72 PolarHBondContact O-N 3.14Å; R69-S73 PolarHBondContact O-N 2.96Å; R69-E220 IonicContact CZ-OE2 2.73Å; R69-E220 IonicContact NH1-OE2 3.13Å; R69-E220 PolarHBondContact NH1-OE2 3.39Å; R69-E220 IonicContact NH2-OE2 3.52Å; R69-E220 PolarHBondContact NH2-OE2 2.96Å; R69-Q222 VanDerWaalsContact CD-OE1 3.27Å |
| 70 | D | 85.1 | Confident | 81.4 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 47% | 0.465 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 176 | -70.3 | -16.7 | 0 | 0 | 0 | 111.5 | R66 W67 R72 S73 Q74 | R66-D70 PolarHBondContact O-N 3.24Å; W67-D70 PolarHBondContact O-N 3.28Å; D70-R72 VanDerWaalsContact C-N 3.34Å; D70-R72 PolarHBondContact O-N 3.5Å; D70-S73 PolarHBondContact O-N 3.43Å; D70-Q74 WeakPolarHBondContact O-CG 3.42Å; D70-Q74 PolarHBondContact O-N 2.96Å |
| 71 | F | 86.9 | Confident | 83.5 | Confident | 72 Ų | 72 | 74 Ų | 74 | 32% | 0.316 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -57.4 | -49.1 | 171.3 | 177.2 | -98.4 | 0 | 0 | 0 | 110.8 | W67 S73 Q74 Y75 V324 | W67-F71 WeakPolarHBondContact O-CB 3.34Å; W67-F71 PolarHBondContact O-N 2.82Å; F71-S73 PolarHBondContact O-N 3.16Å; F71-Q74 PolarHBondContact O-N 2.59Å; F71-Y75 HydrophobicContact CE1-CD1 4.1Å; F71-Y75 HydrophobicContact CE1-CG 4.13Å; F71-Y75 HydrophobicContact CZ-CD1 4.26Å; F71-Y75 HydrophobicContact CZ-CD2 4.13Å; F71-Y75 AromaticContact CZ-CG 3.92Å; F71-Y75 HydrophobicContact CZ-CG 3.92Å; F71-Y75 WeakPolarHBondContact O-CB 3.37Å; F71-Y75 PolarHBondContact O-N 2.97Å; F71-V324 HydrophobicContact CD1-CG1 4.33Å; F71-V324 HydrophobicContact CE1-CG1 4.08Å |
| 72 | R | 85.5 | Confident | 85.3 | Confident | 55 Ų | 55 | 74.5 Ų | 74.5 | 21% | 0.208 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.1 | -48.6 | 178.6 | -166.8 | 178.6 | 172.2 | 175.1 | -14.2 | 112.4 | V68 R69 D70 Q74 Y75 E76 D133 A134 Q327 | V68-R72 WeakPolarHBondContact O-CB 3.26Å; V68-R72 PolarHBondContact O-N 3.45Å; R69-R72 WeakPolarHBondContact O-CB 3.38Å; R69-R72 PolarHBondContact O-N 3.14Å; D70-R72 VanDerWaalsContact C-N 3.34Å; D70-R72 PolarHBondContact O-N 3.5Å; R72-Q74 VanDerWaalsContact C-N 3.27Å; R72-Q74 PolarHBondContact O-N 3.15Å; R72-Y75 PolarHBondContact O-N 3.03Å; R72-E76 HydrophobicContact CG-CG 3.85Å; R72-E76 WeakPolarHBondContact CG-OE2 3.27Å; R72-E76 IonicContact CZ-OE1 3.15Å; R72-E76 IonicContact CZ-OE2 2.97Å; R72-E76 VanDerWaalsContact NE-CD 3.27Å; R72-E76 IonicContact NE-OE1 2.69Å; R72-E76 PolarHBondContact NE-OE1 3.24Å; R72-E76 IonicContact NE-OE2 2.61Å; R72-E76 PolarHBondContact NE-OE2 2.87Å; R72-E76 IonicContact NH2-OE2 3.09Å; R72-E76 PolarHBondContact NH2-OE2 2.74Å; R72-E76 WeakPolarHBondContact O-CB 3.13Å; R72-E76 PolarHBondContact O-N 3.16Å; R72-D133 IonicContact CZ-OD2 3.7Å; R72-D133 IonicContact NH2-OD2 3.83Å; R72-D133 PolarHBondContact NH2-OD2 3.45Å; R72-A134 HydrophobicContact CG-CB 4.36Å; R72-Q327 VanDerWaalsContact CB-OE1 3.29Å; R72-Q327 HydrophobicContact CG-CG 4.42Å |
| 73 | S | 87.3 | Confident | 86.8 | Confident | 37 Ų | 37 | 68.3 Ų | 68.3 | 26% | 0.259 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.3 | -28.2 | -177.8 | 178.1 | 0 | 0 | 0 | 0 | 113.4 | R69 D70 F71 P77 A134 | R69-S73 PolarHBondContact O-N 2.96Å; D70-S73 PolarHBondContact O-N 3.43Å; F71-S73 PolarHBondContact O-N 3.16Å; S73-P77 WeakPolarHBondContact O-CD 3.26Å; S73-P77 WeakPolarHBondContact O-CG 3.21Å; S73-A134 WeakPolarHBondContact CA-O 3.35Å; S73-A134 VanDerWaalsContact CB-O 3.25Å; S73-A134 WeakPolarHBondContact CB-O 3.44Å |
| 74 | Q | 89.9 | Confident | 87.9 | Confident | 151 Ų | 151 | 68.9 Ų | 68.9 | 71% | 0.706 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -88.9 | -36.5 | 179.4 | -67.6 | 176.7 | 47 | 0 | 0 | 112.2 | D70 F71 R72 P78 | D70-Q74 WeakPolarHBondContact O-CG 3.42Å; D70-Q74 PolarHBondContact O-N 2.96Å; F71-Q74 PolarHBondContact O-N 2.59Å; R72-Q74 VanDerWaalsContact C-N 3.27Å; R72-Q74 PolarHBondContact O-N 3.15Å; Q74-P78 WeakPolarHBondContact O-CD 3.3Å; Q74-P78 WeakPolarHBondContact O-CG 3.28Å |
| 75 | Y | 91.6 | Very high | 88.7 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -88 | -47.8 | -171.8 | 171.1 | -97.3 | 0 | 0 | 0 | 114 | F71 R72 P78 L79 | F71-Y75 HydrophobicContact CE1-CD1 4.1Å; F71-Y75 HydrophobicContact CE1-CG 4.13Å; F71-Y75 HydrophobicContact CZ-CD1 4.26Å; F71-Y75 HydrophobicContact CZ-CD2 4.13Å; F71-Y75 AromaticContact CZ-CG 3.92Å; F71-Y75 HydrophobicContact CZ-CG 3.92Å; F71-Y75 WeakPolarHBondContact O-CB 3.37Å; F71-Y75 PolarHBondContact O-N 2.97Å; R72-Y75 PolarHBondContact O-N 3.03Å; Y75-P78 WeakPolarHBondContact O-CD 3.37Å; Y75-P78 WeakPolarHBondContact O-CG 3.22Å; Y75-L79 HydrophobicContact CD1-CD1 3.99Å; Y75-L79 HydrophobicContact CD2-CD1 3.75Å; Y75-L79 HydrophobicContact CE1-CD1 3.47Å; Y75-L79 VanDerWaalsContact CE1-CD1 3.47Å; Y75-L79 HydrophobicContact CE2-CD1 3.21Å; Y75-L79 HydrophobicContact CE2-CG 4.45Å; Y75-L79 HydrophobicContact CG-CD1 4.12Å; Y75-L79 VanDerWaalsContact OH-CD1 3.29Å; Y75-L79 WeakPolarHBondContact OH-CD1 3.35Å |
| 76 | E | 90 | Very high | 89.5 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.4 | -46.8 | -171.4 | -70.3 | -169.6 | 167.2 | 0 | 0 | 113.8 | R72 L79 F80 A134 | R72-E76 HydrophobicContact CG-CG 3.85Å; R72-E76 WeakPolarHBondContact CG-OE2 3.27Å; R72-E76 IonicContact CZ-OE1 3.15Å; R72-E76 IonicContact CZ-OE2 2.97Å; R72-E76 VanDerWaalsContact NE-CD 3.27Å; R72-E76 IonicContact NE-OE1 2.69Å; R72-E76 PolarHBondContact NE-OE1 3.24Å; R72-E76 IonicContact NE-OE2 2.61Å; R72-E76 PolarHBondContact NE-OE2 2.87Å; R72-E76 IonicContact NH2-OE2 3.09Å; R72-E76 PolarHBondContact NH2-OE2 2.74Å; R72-E76 WeakPolarHBondContact O-CB 3.13Å; R72-E76 PolarHBondContact O-N 3.16Å; E76-L79 PolarHBondContact O-N 3.02Å; E76-F80 HydrophobicContact CB-CD2 4.26Å; E76-F80 HydrophobicContact CB-CE2 3.8Å; E76-F80 HydrophobicContact CB-CZ 3.95Å; E76-F80 HydrophobicContact CG-CE2 4.28Å; E76-F80 HydrophobicContact CG-CZ 4.04Å; E76-F80 VanDerWaalsContact O-CG 3.31Å; E76-F80 WeakPolarHBondContact O-CG 3.49Å; E76-F80 PolarHBondContact O-N 2.88Å; E76-A134 HydrophobicContact CB-CB 3.9Å; E76-A134 WeakPolarHBondContact OE2-CB 3.39Å |
| 77 | P | 92.6 | Very high | 90.1 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 7% | 0.065 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.5 | -51 | -175.1 | -22.4 | 32.4 | 0 | 0 | 0 | 115.1 | S73 L79 F80 W81 A131 A134 I135 | S73-P77 WeakPolarHBondContact O-CD 3.26Å; S73-P77 WeakPolarHBondContact O-CG 3.21Å; P77-L79 VanDerWaalsContact C-N 3.27Å; P77-L79 PolarHBondContact O-N 3.22Å; P77-F80 PolarHBondContact O-N 2.68Å; P77-W81 PolarHBondContact O-N 3.17Å; P77-A131 HydrophobicContact CB-CB 4.29Å; P77-A134 HydrophobicContact CG-CB 4.03Å; P77-I135 HydrophobicContact CB-CD1 3.89Å; P77-I135 HydrophobicContact CB-CG1 4.14Å; P77-I135 HydrophobicContact CG-CD1 3.75Å; P77-I135 HydrophobicContact CG-CG1 3.41Å; P77-I135 VanDerWaalsContact CG-CG1 3.41Å |
| 78 | P | 93.7 | Very high | 90.7 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | -179.6 | 24.2 | -33 | 0 | 0 | 0 | 111.6 | Q74 Y75 W81 I82 | Q74-P78 WeakPolarHBondContact O-CD 3.3Å; Q74-P78 WeakPolarHBondContact O-CG 3.28Å; Y75-P78 WeakPolarHBondContact O-CD 3.37Å; Y75-P78 WeakPolarHBondContact O-CG 3.22Å; P78-W81 PolarHBondContact O-N 3.25Å; P78-I82 WeakPolarHBondContact O-CD1 3.08Å; P78-I82 VanDerWaalsContact O-CG1 3.24Å; P78-I82 WeakPolarHBondContact O-CG1 3.43Å; P78-I82 PolarHBondContact O-N 3.35Å |
| 79 | L | 93.6 | Very high | 91.2 | Very high | 53 Ų | 53 | 59 Ų | 59 | 28% | 0.277 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 176.8 | -73.6 | 175.9 | 0 | 0 | 0 | 112.6 | Y75 E76 P77 W81 I82 I83 | Y75-L79 HydrophobicContact CD1-CD1 3.99Å; Y75-L79 HydrophobicContact CD2-CD1 3.75Å; Y75-L79 HydrophobicContact CE1-CD1 3.47Å; Y75-L79 VanDerWaalsContact CE1-CD1 3.47Å; Y75-L79 HydrophobicContact CE2-CD1 3.21Å; Y75-L79 HydrophobicContact CE2-CG 4.45Å; Y75-L79 HydrophobicContact CG-CD1 4.12Å; Y75-L79 VanDerWaalsContact OH-CD1 3.29Å; Y75-L79 WeakPolarHBondContact OH-CD1 3.35Å; E76-L79 PolarHBondContact O-N 3.02Å; P77-L79 VanDerWaalsContact C-N 3.27Å; P77-L79 PolarHBondContact O-N 3.22Å; L79-W81 VanDerWaalsContact C-N 3.29Å; L79-W81 PolarHBondContact O-N 3.17Å; L79-I82 PolarHBondContact O-N 3Å; L79-I83 VanDerWaalsContact O-CG1 3.25Å; L79-I83 WeakPolarHBondContact O-CG1 3.48Å; L79-I83 PolarHBondContact O-N 3.38Å |
| 80 | F | 93.8 | Very high | 91.6 | Very high | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.1 | -36 | 177.9 | -67.6 | -9.7 | 0 | 0 | 0 | 111.9 | E76 P77 I83 F84 L127 W130 A131 F334 | E76-F80 HydrophobicContact CB-CD2 4.26Å; E76-F80 HydrophobicContact CB-CE2 3.8Å; E76-F80 HydrophobicContact CB-CZ 3.95Å; E76-F80 HydrophobicContact CG-CE2 4.28Å; E76-F80 HydrophobicContact CG-CZ 4.04Å; E76-F80 VanDerWaalsContact O-CG 3.31Å; E76-F80 WeakPolarHBondContact O-CG 3.49Å; E76-F80 PolarHBondContact O-N 2.88Å; P77-F80 PolarHBondContact O-N 2.68Å; F80-I83 HydrophobicContact CD1-CD1 4.36Å; F80-I83 PolarHBondContact O-N 3.11Å; F80-F84 WeakPolarHBondContact O-CB 3.43Å; F80-F84 PolarHBondContact O-N 3.2Å; F80-L127 HydrophobicContact CB-CB 4.48Å; F80-L127 HydrophobicContact CD1-CD2 4.46Å; F80-L127 HydrophobicContact CG-CD2 4.41Å; F80-W130 HydrophobicContact CD2-CB 3.76Å; F80-W130 HydrophobicContact CE2-CB 3.69Å; F80-A131 HydrophobicContact CB-CB 4.16Å; F80-A131 HydrophobicContact CD2-CB 4.32Å; F80-F334 HydrophobicContact CD1-CD2 4.13Å; F80-F334 AromaticContact CE1-CD2 3.58Å; F80-F334 HydrophobicContact CE1-CD2 3.58Å; F80-F334 HydrophobicContact CE1-CE2 4.17Å; F80-F334 HydrophobicContact CE2-CE2 4.45Å; F80-F334 AromaticContact CZ-CD2 3.84Å; F80-F334 HydrophobicContact CZ-CD2 3.84Å; F80-F334 AromaticContact CZ-CE2 3.94Å; F80-F334 HydrophobicContact CZ-CE2 3.94Å |
| 81 | W | 94 | Very high | 92 | Very high | 125 Ų | 125 | 52.5 Ų | 52.5 | 47% | 0.473 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 171.8 | -83.9 | 110.8 | 0 | 0 | 0 | 112.9 | P77 P78 L79 F84 I85 | P77-W81 PolarHBondContact O-N 3.17Å; P78-W81 PolarHBondContact O-N 3.25Å; L79-W81 VanDerWaalsContact C-N 3.29Å; L79-W81 PolarHBondContact O-N 3.17Å; W81-F84 AromaticContact CE3-CD1 3.86Å; W81-F84 HydrophobicContact CE3-CD1 3.86Å; W81-F84 AromaticContact CZ3-CD1 3.78Å; W81-F84 HydrophobicContact CZ3-CD1 3.78Å; W81-F84 HydrophobicContact CZ3-CE1 4.01Å; W81-F84 PolarHBondContact O-N 2.9Å; W81-I85 VanDerWaalsContact O-CG1 3.31Å; W81-I85 WeakPolarHBondContact O-CG1 3.44Å; W81-I85 PolarHBondContact O-N 3.13Å |
| 82 | I | 93.6 | Very high | 92.3 | Very high | 90 Ų | 90 | 53.8 Ų | 53.8 | 46% | 0.462 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 175.3 | -70 | 163.5 | 0 | 0 | 0 | 110.4 | P78 L79 F84 I85 L86 | P78-I82 WeakPolarHBondContact O-CD1 3.08Å; P78-I82 VanDerWaalsContact O-CG1 3.24Å; P78-I82 WeakPolarHBondContact O-CG1 3.43Å; P78-I82 PolarHBondContact O-N 3.35Å; L79-I82 PolarHBondContact O-N 3Å; I82-F84 VanDerWaalsContact C-N 3.32Å; I82-F84 PolarHBondContact O-N 3.02Å; I82-I85 PolarHBondContact O-N 3.43Å; I82-L86 HydrophobicContact CG2-CD1 3.68Å; I82-L86 HydrophobicContact CG2-CG 4.26Å; I82-L86 WeakPolarHBondContact O-CB 3.14Å; I82-L86 WeakPolarHBondContact O-CG 3.27Å; I82-L86 PolarHBondContact O-N 3.29Å |
| 83 | I | 94.4 | Very high | 92.4 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 178 | -63.7 | 164.3 | 0 | 0 | 0 | 110.1 | L79 F80 G87 L124 L127 F334 T335 C338 | L79-I83 VanDerWaalsContact O-CG1 3.25Å; L79-I83 WeakPolarHBondContact O-CG1 3.48Å; L79-I83 PolarHBondContact O-N 3.38Å; F80-I83 HydrophobicContact CD1-CD1 4.36Å; F80-I83 PolarHBondContact O-N 3.11Å; I83-G87 VanDerWaalsContact O-CA 3.28Å; I83-G87 WeakPolarHBondContact O-CA 3.27Å; I83-G87 PolarHBondContact O-N 3.05Å; I83-L124 HydrophobicContact CG2-CD2 3.94Å; I83-L127 HydrophobicContact CB-CD1 3.9Å; I83-L127 HydrophobicContact CG2-CD1 3.51Å; I83-F334 HydrophobicContact CD1-CB 4.34Å; I83-T335 WeakPolarHBondContact CD1-OG1 3.32Å; I83-C338 HydrophobicContact CG2-CB 4.28Å |
| 84 | F | 95 | Very high | 92.5 | Very high | 53 Ų | 53 | 52.7 Ų | 52.7 | 23% | 0.232 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.9 | -50.9 | 177.1 | 174.1 | -109.7 | 0 | 0 | 0 | 111.9 | F80 W81 I82 S88 L124 L127 P128 | F80-F84 WeakPolarHBondContact O-CB 3.43Å; F80-F84 PolarHBondContact O-N 3.2Å; W81-F84 AromaticContact CE3-CD1 3.86Å; W81-F84 HydrophobicContact CE3-CD1 3.86Å; W81-F84 AromaticContact CZ3-CD1 3.78Å; W81-F84 HydrophobicContact CZ3-CD1 3.78Å; W81-F84 HydrophobicContact CZ3-CE1 4.01Å; W81-F84 PolarHBondContact O-N 2.9Å; I82-F84 VanDerWaalsContact C-N 3.32Å; I82-F84 PolarHBondContact O-N 3.02Å; F84-S88 WeakPolarHBondContact CE2-OG 3.2Å; F84-S88 WeakPolarHBondContact O-CB 3.37Å; F84-S88 PolarHBondContact O-N 3.2Å; F84-S88 PolarHBondContact O-OG 3.38Å; F84-L124 HydrophobicContact CD2-CB 4.35Å; F84-L124 VanDerWaalsContact CD2-O 3.23Å; F84-L124 WeakPolarHBondContact CD2-O 3.48Å; F84-L127 HydrophobicContact CB-CB 4.4Å; F84-L127 HydrophobicContact CB-CD1 4.33Å; F84-P128 HydrophobicContact CD2-CG 4.26Å; F84-P128 HydrophobicContact CE2-CG 4.31Å; F84-P128 HydrophobicContact CG-CG 4.42Å |
| 85 | I | 94.3 | Very high | 92.4 | Very high | 97 Ų | 97 | 46.7 Ų | 46.7 | 50% | 0.497 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.3 | -54.6 | -177.6 | -66.2 | 167 | 0 | 0 | 0 | 110.5 | W81 I82 G87 S88 V89 | W81-I85 VanDerWaalsContact O-CG1 3.31Å; W81-I85 WeakPolarHBondContact O-CG1 3.44Å; W81-I85 PolarHBondContact O-N 3.13Å; I82-I85 PolarHBondContact O-N 3.43Å; I85-G87 PolarHBondContact O-N 3.21Å; I85-S88 PolarHBondContact O-N 3.46Å; I85-V89 WeakPolarHBondContact O-CB 3.07Å; I85-V89 VanDerWaalsContact O-CG2 3.27Å; I85-V89 WeakPolarHBondContact O-CG2 3.32Å; I85-V89 PolarHBondContact O-N 2.96Å |
| 86 | L | 92.9 | Very high | 92.2 | Very high | 76 Ų | 76 | 50.8 Ų | 50.8 | 40% | 0.398 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.6 | -43.4 | -176.8 | -65.4 | -179.1 | 0 | 0 | 0 | 111.6 | I82 G90 C338 F342 | I82-L86 HydrophobicContact CG2-CD1 3.68Å; I82-L86 HydrophobicContact CG2-CG 4.26Å; I82-L86 WeakPolarHBondContact O-CB 3.14Å; I82-L86 WeakPolarHBondContact O-CG 3.27Å; I82-L86 PolarHBondContact O-N 3.29Å; L86-G90 PolarHBondContact O-N 2.96Å; L86-C338 HydrophobicContact CB-CB 4.38Å; L86-F342 HydrophobicContact CB-CE2 4.21Å; L86-F342 HydrophobicContact CB-CZ 4.35Å; L86-F342 HydrophobicContact CD1-CE2 4.42Å; L86-F342 HydrophobicContact CD1-CZ 4.35Å; L86-F342 HydrophobicContact CD2-CZ 4.34Å |
| 87 | G | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.1 | -44.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I83 I85 G90 N91 L124 | I83-G87 VanDerWaalsContact O-CA 3.28Å; I83-G87 WeakPolarHBondContact O-CA 3.27Å; I83-G87 PolarHBondContact O-N 3.05Å; I85-G87 PolarHBondContact O-N 3.21Å; G87-G90 PolarHBondContact O-N 3.44Å; G87-N91 WeakPolarHBondContact O-CB 3.44Å; G87-N91 PolarHBondContact O-N 3.48Å; G87-N91 PolarHBondContact O-ND2 3.32Å; G87-L124 WeakPolarHBondContact O-CD1 3.26Å |
| 88 | S | 93.8 | Very high | 91.4 | Very high | 18 Ų | 18 | 51 Ų | 51 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.5 | -47.2 | -179.5 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | F84 I85 G90 L92 | F84-S88 WeakPolarHBondContact CE2-OG 3.2Å; F84-S88 WeakPolarHBondContact O-CB 3.37Å; F84-S88 PolarHBondContact O-N 3.2Å; F84-S88 PolarHBondContact O-OG 3.38Å; I85-S88 PolarHBondContact O-N 3.46Å; S88-G90 PolarHBondContact O-N 3.07Å; S88-L92 WeakPolarHBondContact O-CB 3.27Å; S88-L92 WeakPolarHBondContact O-CD1 3.47Å; S88-L92 WeakPolarHBondContact O-CG 3.24Å; S88-L92 PolarHBondContact O-N 3.46Å |
| 89 | V | 92.3 | Very high | 90.9 | Very high | 97 Ų | 97 | 53.1 Ų | 53.1 | 59% | 0.588 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -59.2 | -47.7 | 176.9 | 172 | 0 | 0 | 0 | 0 | 110.8 | I85 L93 | I85-V89 WeakPolarHBondContact O-CB 3.07Å; I85-V89 VanDerWaalsContact O-CG2 3.27Å; I85-V89 WeakPolarHBondContact O-CG2 3.32Å; I85-V89 PolarHBondContact O-N 2.96Å; V89-L93 VanDerWaalsContact O-CB 3.27Å; V89-L93 WeakPolarHBondContact O-CB 3.31Å; V89-L93 PolarHBondContact O-N 3.41Å |
| 90 | G | 90.6 | Very high | 90.2 | Very high | 13 Ų | 13 | 53.7 Ų | 53.7 | 13% | 0.134 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.9 | -49.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | L86 G87 S88 L93 V94 P341 | L86-G90 PolarHBondContact O-N 2.96Å; G87-G90 PolarHBondContact O-N 3.44Å; S88-G90 PolarHBondContact O-N 3.07Å; G90-L93 WeakPolarHBondContact O-CB 3.39Å; G90-L93 PolarHBondContact O-N 3.37Å; G90-V94 WeakPolarHBondContact O-CG2 3.31Å; G90-V94 PolarHBondContact O-N 3Å; G90-V94 VanDerWaalsContact O-N 3.07Å; G90-P341 VanDerWaalsContact C-CG 3.42Å |
| 91 | N | 92.9 | Very high | 89.3 | Confident | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.011 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -73.9 | -34.8 | -177.4 | -71.3 | -67.2 | 0 | 0 | 0 | 112.5 | G87 L93 V94 V95 A117 L121 A337 P341 | G87-N91 WeakPolarHBondContact O-CB 3.44Å; G87-N91 PolarHBondContact O-N 3.48Å; G87-N91 PolarHBondContact O-ND2 3.32Å; N91-L93 VanDerWaalsContact C-N 3.32Å; N91-L93 PolarHBondContact O-N 2.9Å; N91-V94 WeakPolarHBondContact O-CB 3.34Å; N91-V94 PolarHBondContact O-N 3.32Å; N91-V95 WeakPolarHBondContact O-CG2 3.47Å; N91-V95 PolarHBondContact O-N 3.28Å; N91-A117 HydrophobicContact CB-CB 4.38Å; N91-L121 HydrophobicContact CB-CD1 4.27Å; N91-L121 HydrophobicContact CB-CD2 3.8Å; N91-L121 HydrophobicContact CB-CG 3.7Å; N91-A337 PolarHBondContact ND2-O 2.97Å; N91-P341 HydrophobicContact CB-CG 4.47Å; N91-P341 WeakPolarHBondContact OD1-CG 3.41Å |
| 92 | L | 92.6 | Very high | 87.6 | Confident | 100 Ų | 100 | 59.7 Ų | 59.7 | 52% | 0.524 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.2 | -40.9 | 170.8 | -74.7 | 171 | 0 | 0 | 0 | 111.3 | S88 V94 V95 W96 L121 | S88-L92 WeakPolarHBondContact O-CB 3.27Å; S88-L92 WeakPolarHBondContact O-CD1 3.47Å; S88-L92 WeakPolarHBondContact O-CG 3.24Å; S88-L92 PolarHBondContact O-N 3.46Å; L92-V94 VanDerWaalsContact C-N 3.32Å; L92-V94 PolarHBondContact O-N 3.22Å; L92-V95 PolarHBondContact O-N 3.49Å; L92-W96 VanDerWaalsContact O-CB 3.26Å; L92-W96 WeakPolarHBondContact O-CB 3.43Å; L92-W96 PolarHBondContact O-N 3.24Å; L92-L121 HydrophobicContact CD2-CD1 3.93Å; L92-L121 HydrophobicContact CD2-CD2 4.17Å; L92-L121 HydrophobicContact CG-CD1 4.34Å; L92-L121 HydrophobicContact CG-CD2 3.85Å |
| 93 | L | 88.9 | Confident | 86.1 | Confident | 67 Ų | 67 | 59.4 Ų | 59.4 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 175.1 | -174.1 | 80.2 | 0 | 0 | 0 | 111.3 | V89 G90 N91 W96 I97 F351 L355 | V89-L93 VanDerWaalsContact O-CB 3.27Å; V89-L93 WeakPolarHBondContact O-CB 3.31Å; V89-L93 PolarHBondContact O-N 3.41Å; G90-L93 WeakPolarHBondContact O-CB 3.39Å; G90-L93 PolarHBondContact O-N 3.37Å; N91-L93 VanDerWaalsContact C-N 3.32Å; N91-L93 PolarHBondContact O-N 2.9Å; L93-W96 PolarHBondContact O-N 2.81Å; L93-I97 HydrophobicContact CD1-CD1 4.47Å; L93-I97 HydrophobicContact CD2-CD1 4.31Å; L93-I97 HydrophobicContact CG-CD1 3.92Å; L93-I97 WeakPolarHBondContact O-CB 3.43Å; L93-I97 VanDerWaalsContact O-CG1 3.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.41Å; L93-I97 PolarHBondContact O-N 3.02Å; L93-F351 HydrophobicContact CD2-CE1 4.44Å; L93-F351 HydrophobicContact CD2-CZ 4.5Å; L93-L355 HydrophobicContact CD2-CD1 3.61Å; L93-L355 HydrophobicContact CD2-CG 4.45Å |
| 94 | V | 88.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.3 | -54 | 174.8 | 172.3 | 0 | 0 | 0 | 0 | 110 | G90 N91 L92 W96 I97 Y98 A117 P341 Y344 F351 | G90-V94 WeakPolarHBondContact O-CG2 3.31Å; G90-V94 PolarHBondContact O-N 3Å; G90-V94 VanDerWaalsContact O-N 3.07Å; N91-V94 WeakPolarHBondContact O-CB 3.34Å; N91-V94 PolarHBondContact O-N 3.32Å; L92-V94 VanDerWaalsContact C-N 3.32Å; L92-V94 PolarHBondContact O-N 3.22Å; V94-W96 VanDerWaalsContact C-N 3.32Å; V94-W96 PolarHBondContact O-N 3.06Å; V94-I97 PolarHBondContact O-N 3.37Å; V94-Y98 HydrophobicContact CG1-CD2 3.68Å; V94-Y98 HydrophobicContact CG1-CE2 3.77Å; V94-Y98 WeakPolarHBondContact O-CD2 3.35Å; V94-Y98 PolarHBondContact O-N 3.34Å; V94-A117 HydrophobicContact CB-CB 4.19Å; V94-A117 HydrophobicContact CG1-CB 3.81Å; V94-P341 HydrophobicContact CG2-CB 4.38Å; V94-P341 HydrophobicContact CG2-CG 4.41Å; V94-Y344 HydrophobicContact CG2-CD2 4.36Å; V94-F351 HydrophobicContact CG2-CE2 3.98Å; V94-F351 HydrophobicContact CG2-CZ 3.78Å |
| 95 | V | 89.6 | Confident | 83.7 | Confident | 26 Ų | 26 | 60.2 Ų | 60.2 | 16% | 0.158 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56 | -47.4 | 178.1 | 172.9 | 0 | 0 | 0 | 0 | 111 | N91 L92 I97 Y98 L99 L114 A117 V118 L121 | N91-V95 WeakPolarHBondContact O-CG2 3.47Å; N91-V95 PolarHBondContact O-N 3.28Å; L92-V95 PolarHBondContact O-N 3.49Å; V95-I97 PolarHBondContact O-N 2.99Å; V95-Y98 PolarHBondContact O-N 3.18Å; V95-L99 HydrophobicContact CG1-CD1 3.75Å; V95-L99 HydrophobicContact CG1-CG 4.3Å; V95-L99 WeakPolarHBondContact O-CG 3.45Å; V95-L99 PolarHBondContact O-N 2.92Å; V95-L114 HydrophobicContact CB-CD1 4.33Å; V95-L114 HydrophobicContact CG1-CD1 4.27Å; V95-L114 HydrophobicContact CG2-CD1 4.03Å; V95-A117 HydrophobicContact CG2-CB 3.95Å; V95-V118 HydrophobicContact CG2-CG2 4.41Å; V95-L121 HydrophobicContact CG2-CD1 3.93Å |
| 96 | W | 86.7 | Confident | 82.5 | Confident | 161 Ų | 161 | 62.3 Ų | 62.3 | 61% | 0.61 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -58.5 | -49.8 | 178.9 | -176.1 | -103.2 | 0 | 0 | 0 | 112.3 | L92 L93 V94 Y98 L99 T100 | L92-W96 VanDerWaalsContact O-CB 3.26Å; L92-W96 WeakPolarHBondContact O-CB 3.43Å; L92-W96 PolarHBondContact O-N 3.24Å; L93-W96 PolarHBondContact O-N 2.81Å; V94-W96 VanDerWaalsContact C-N 3.32Å; V94-W96 PolarHBondContact O-N 3.06Å; W96-Y98 VanDerWaalsContact C-N 3.28Å; W96-Y98 PolarHBondContact O-N 2.97Å; W96-L99 PolarHBondContact O-N 3.43Å; W96-T100 WeakPolarHBondContact O-CB 3.24Å; W96-T100 PolarHBondContact O-N 3.22Å; W96-T100 PolarHBondContact O-OG1 3.36Å |
| 97 | I | 83.1 | Confident | 81.7 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 177.4 | -72.5 | 167.8 | 0 | 0 | 0 | 110.9 | L93 V94 V95 V101 F351 | L93-I97 HydrophobicContact CD1-CD1 4.47Å; L93-I97 HydrophobicContact CD2-CD1 4.31Å; L93-I97 HydrophobicContact CG-CD1 3.92Å; L93-I97 WeakPolarHBondContact O-CB 3.43Å; L93-I97 VanDerWaalsContact O-CG1 3.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.41Å; L93-I97 PolarHBondContact O-N 3.02Å; V94-I97 PolarHBondContact O-N 3.37Å; V95-I97 PolarHBondContact O-N 2.99Å; I97-V101 HydrophobicContact CG2-CG2 4.19Å; I97-V101 VanDerWaalsContact O-CB 3.3Å; I97-V101 WeakPolarHBondContact O-CB 3.37Å; I97-V101 VanDerWaalsContact O-CG2 3.26Å; I97-V101 WeakPolarHBondContact O-CG2 3.06Å; I97-V101 PolarHBondContact O-N 2.92Å; I97-F351 HydrophobicContact CD1-CE1 4.07Å; I97-F351 HydrophobicContact CD1-CE2 3.81Å; I97-F351 HydrophobicContact CD1-CZ 3.49Å; I97-F351 VanDerWaalsContact CD1-CZ 3.49Å |
| 98 | Y | 82.3 | Confident | 81.1 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.8 | -33.6 | 180 | -87.2 | -71.2 | 0 | 0 | 0 | 113.3 | V94 V95 W96 R104 L105 D110 L113 | V94-Y98 HydrophobicContact CG1-CD2 3.68Å; V94-Y98 HydrophobicContact CG1-CE2 3.77Å; V94-Y98 WeakPolarHBondContact O-CD2 3.35Å; V94-Y98 PolarHBondContact O-N 3.34Å; V95-Y98 PolarHBondContact O-N 3.18Å; W96-Y98 VanDerWaalsContact C-N 3.28Å; W96-Y98 PolarHBondContact O-N 2.97Å; Y98-R104 HydrophobicContact CD1-CB 3.74Å; Y98-R104 HydrophobicContact CE1-CB 3.98Å; Y98-L105 HydrophobicContact CD1-CD2 3.76Å; Y98-L105 HydrophobicContact CD1-CG 4.38Å; Y98-L105 HydrophobicContact CG-CD2 4.38Å; Y98-D110 HydrophobicContact CD1-CB 4.3Å; Y98-D110 HydrophobicContact CE1-CB 3.53Å; Y98-D110 WeakPolarHBondContact CE1-OD1 3.06Å; Y98-D110 PolarHBondContact OH-OD1 3.41Å; Y98-L113 HydrophobicContact CE2-CB 4.34Å; Y98-L113 WeakPolarHBondContact OH-CD1 3.4Å |
| 99 | L | 82.8 | Confident | 80.6 | Confident | 114 Ų | 114 | 61.6 Ų | 61.6 | 60% | 0.597 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -80.8 | -40.3 | 178.2 | -66.7 | 177 | 0 | 0 | 0 | 112.9 | V95 W96 | V95-L99 HydrophobicContact CG1-CD1 3.75Å; V95-L99 HydrophobicContact CG1-CG 4.3Å; V95-L99 WeakPolarHBondContact O-CG 3.45Å; V95-L99 PolarHBondContact O-N 2.92Å; W96-L99 PolarHBondContact O-N 3.43Å |
| 100 | T | 78.5 | Confident | 80.2 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 39% | 0.393 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -80.8 | -35.6 | -175.4 | -51.7 | 0 | 0 | 0 | 0 | 112.5 | W96 R102 M358 | W96-T100 WeakPolarHBondContact O-CB 3.24Å; W96-T100 PolarHBondContact O-N 3.22Å; W96-T100 PolarHBondContact O-OG1 3.36Å; T100-R102 PolarHBondContact O-N 3.43Å; T100-R102 VanDerWaalsContact O-N 3.16Å; T100-M358 HydrophobicContact CG2-CE 4.1Å |
| 101 | V | 76.6 | Confident | 80 | Confident | 28 Ų | 28 | 57.6 Ų | 57.6 | 17% | 0.17 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -83.6 | 99.2 | -179.1 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | I97 N103 R104 M358 | I97-V101 HydrophobicContact CG2-CG2 4.19Å; I97-V101 VanDerWaalsContact O-CB 3.3Å; I97-V101 WeakPolarHBondContact O-CB 3.37Å; I97-V101 VanDerWaalsContact O-CG2 3.26Å; I97-V101 WeakPolarHBondContact O-CG2 3.06Å; I97-V101 PolarHBondContact O-N 2.92Å; V101-N103 PolarHBondContact O-N 3.15Å; V101-R104 HydrophobicContact CB-CB 4.24Å; V101-R104 HydrophobicContact CB-CG 3.49Å; V101-R104 VanDerWaalsContact CB-CG 3.49Å; V101-R104 HydrophobicContact CG1-CB 4.47Å; V101-R104 HydrophobicContact CG1-CG 3.48Å; V101-R104 VanDerWaalsContact CG1-CG 3.48Å; V101-R104 HydrophobicContact CG2-CG 4.27Å; V101-R104 PolarHBondContact O-N 3.02Å; V101-M358 HydrophobicContact CG2-CE 3.36Å |
| 102 | R | 57.8 | Low | 79.9 | Confident | 225 Ų | 225 | 58 Ų | 58 | 85% | 0.849 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -6.9 | -177.7 | -165.1 | 168.3 | 179.7 | 154.9 | 0.7 | 116.3 | T100 | T100-R102 PolarHBondContact O-N 3.43Å; T100-R102 VanDerWaalsContact O-N 3.16Å |
| 103 | N | 62.5 | Low | 79.7 | Confident | 85 Ų | 85 | 54.5 Ų | 54.5 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.2 | 2.5 | 178.8 | -75.8 | -27.4 | 0 | 0 | 0 | 115.1 | V101 K106 | V101-N103 PolarHBondContact O-N 3.15Å; N103-K106 HydrophobicContact CB-CD 4.43Å; N103-K106 VanDerWaalsContact OD1-CE 3.22Å; N103-K106 WeakPolarHBondContact OD1-CE 3.42Å; N103-K106 PolarHBondContact OD1-NZ 3.44Å |
| 104 | R | 66.8 | Low | 79.7 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 3% | 0.034 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -85 | -30.7 | -176.6 | -69.9 | -71.8 | -92.7 | -153.2 | 0.1 | 113.8 | Y98 V101 K106 D110 R350 D354 | Y98-R104 HydrophobicContact CD1-CB 3.74Å; Y98-R104 HydrophobicContact CE1-CB 3.98Å; V101-R104 HydrophobicContact CB-CB 4.24Å; V101-R104 HydrophobicContact CB-CG 3.49Å; V101-R104 VanDerWaalsContact CB-CG 3.49Å; V101-R104 HydrophobicContact CG1-CB 4.47Å; V101-R104 HydrophobicContact CG1-CG 3.48Å; V101-R104 VanDerWaalsContact CG1-CG 3.48Å; V101-R104 HydrophobicContact CG2-CG 4.27Å; V101-R104 PolarHBondContact O-N 3.02Å; R104-K106 PolarHBondContact O-N 3.21Å; R104-D110 WeakPolarHBondContact O-CB 3.18Å; R104-R350 PolarHBondContact NH1-O 3.36Å; R104-D354 WeakPolarHBondContact CD-OD2 3.06Å; R104-D354 IonicContact CZ-OD2 3.96Å; R104-D354 IonicContact NE-OD2 3.32Å; R104-D354 PolarHBondContact NE-OD2 2.79Å; R104-D354 VanDerWaalsContact NE-OD2 3.15Å; R104-D354 IonicContact NH1-OD2 3.74Å; R104-D354 PolarHBondContact NH1-OD2 3.18Å; R104-D354 IonicContact NH2-OD2 2.81Å |
| 105 | L | 70.7 | Confident | 80 | Confident | 69 Ų | 69 | 54.1 Ų | 54.1 | 36% | 0.361 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 39.6 | 179.4 | -64.1 | 171.3 | 0 | 0 | 0 | 114 | Y98 L114 | Y98-L105 HydrophobicContact CD1-CD2 3.76Å; Y98-L105 HydrophobicContact CD1-CG 4.38Å; Y98-L105 HydrophobicContact CG-CD2 4.38Å; L105-L114 HydrophobicContact CD2-CD2 3.95Å |
| 106 | K | 69.9 | Low | 80.1 | Confident | 140 Ų | 140 | 53 Ų | 53 | 61% | 0.609 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102 | -13 | -173.8 | -73.2 | -174.6 | 168.8 | -179.5 | 0 | 114 | N103 R104 | N103-K106 HydrophobicContact CB-CD 4.43Å; N103-K106 VanDerWaalsContact OD1-CE 3.22Å; N103-K106 WeakPolarHBondContact OD1-CE 3.42Å; N103-K106 PolarHBondContact OD1-NZ 3.44Å; R104-K106 PolarHBondContact O-N 3.21Å |
| 107 | T | 76.9 | Confident | 80.4 | Confident | 44 Ų | 44 | 45.4 Ų | 45.4 | 27% | 0.27 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -118.4 | 161.1 | 179.8 | 81.1 | 0 | 0 | 0 | 0 | 111.9 | T109 D110 V111 | T107-T109 VanDerWaalsContact C-N 3.34Å; T107-D110 VanDerWaalsContact CB-OD2 3.31Å; T107-D110 WeakPolarHBondContact CB-OD2 3.28Å; T107-D110 WeakPolarHBondContact CG2-OD2 3.31Å; T107-D110 PolarHBondContact N-OD2 3.02Å; T107-D110 WeakPolarHBondContact O-CB 3.31Å; T107-D110 PolarHBondContact O-N 3.36Å; T107-D110 PolarHBondContact OG1-N 3.31Å; T107-D110 PolarHBondContact OG1-OD2 2.95Å; T107-V111 PolarHBondContact O-N 2.9Å |
| 108 | M | 79.9 | Confident | 80.9 | Confident | 19 Ų | 19 | 48 Ų | 48 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.1 | -45.4 | 176.9 | -52.8 | -65.9 | -97.8 | 0 | 0 | 111 | D110 V111 Y112 D169 R187 S191 | M108-D110 VanDerWaalsContact C-N 3.25Å; M108-D110 PolarHBondContact O-N 3.29Å; M108-V111 WeakPolarHBondContact O-CB 3.49Å; M108-V111 PolarHBondContact O-N 2.87Å; M108-V111 VanDerWaalsContact O-N 3.09Å; M108-Y112 HydrophobicContact CB-CE2 4.1Å; M108-Y112 WeakPolarHBondContact O-CD2 3.34Å; M108-Y112 PolarHBondContact O-N 3.19Å; M108-D169 WeakPolarHBondContact CB-OD1 3.18Å; M108-D169 WeakPolarHBondContact CG-OD1 3.44Å; M108-R187 HydrophobicContact CE-CB 3.73Å; M108-R187 HydrophobicContact CE-CG 4.38Å; M108-R187 WeakPolarHBondContact CE-O 3.21Å; M108-R187 HydrophobicContact CG-CB 4.35Å; M108-R187 HydrophobicContact SD-CB 3.66Å; M108-S191 WeakPolarHBondContact SD-CB 3.47Å; M108-S191 PolarHBondContact SD-OG 3.47Å |
| 109 | T | 82.4 | Confident | 81.6 | Confident | 16 Ų | 16 | 47.6 Ų | 47.6 | 10% | 0.098 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58 | -39.7 | 178.3 | -47.4 | 0 | 0 | 0 | 0 | 111.4 | T107 V111 Y112 L113 I166 D169 R170 | T107-T109 VanDerWaalsContact C-N 3.34Å; T109-V111 VanDerWaalsContact C-N 3.32Å; T109-V111 PolarHBondContact O-N 2.93Å; T109-Y112 PolarHBondContact O-N 3.19Å; T109-L113 HydrophobicContact CG2-CD1 3.97Å; T109-L113 HydrophobicContact CG2-CG 4.24Å; T109-L113 WeakPolarHBondContact O-CB 3.43Å; T109-L113 VanDerWaalsContact O-CG 3.24Å; T109-L113 WeakPolarHBondContact O-CG 3.45Å; T109-L113 PolarHBondContact O-N 3.44Å; T109-I166 HydrophobicContact CG2-CG1 4.38Å; T109-I166 HydrophobicContact CG2-CG2 4.05Å; T109-D169 PolarHBondContact OG1-OD2 3.12Å; T109-R170 PolarHBondContact OG1-NH2 3.33Å |
| 110 | D | 83.7 | Confident | 82.1 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 6% | 0.059 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 177.3 | -66.7 | -43.9 | 0 | 0 | 0 | 112.5 | Y98 R104 T107 M108 L114 | Y98-D110 HydrophobicContact CD1-CB 4.3Å; Y98-D110 HydrophobicContact CE1-CB 3.53Å; Y98-D110 WeakPolarHBondContact CE1-OD1 3.06Å; Y98-D110 PolarHBondContact OH-OD1 3.41Å; R104-D110 WeakPolarHBondContact O-CB 3.18Å; T107-D110 VanDerWaalsContact CB-OD2 3.31Å; T107-D110 WeakPolarHBondContact CB-OD2 3.28Å; T107-D110 WeakPolarHBondContact CG2-OD2 3.31Å; T107-D110 PolarHBondContact N-OD2 3.02Å; T107-D110 WeakPolarHBondContact O-CB 3.31Å; T107-D110 PolarHBondContact O-N 3.36Å; T107-D110 PolarHBondContact OG1-N 3.31Å; T107-D110 PolarHBondContact OG1-OD2 2.95Å; M108-D110 VanDerWaalsContact C-N 3.25Å; M108-D110 PolarHBondContact O-N 3.29Å; D110-L114 WeakPolarHBondContact O-CB 3.37Å; D110-L114 PolarHBondContact O-N 3.45Å; D110-L114 VanDerWaalsContact O-N 3.08Å |
| 111 | V | 87.9 | Confident | 82.9 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 9% | 0.091 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.4 | -41.3 | 175.1 | 179.2 | 0 | 0 | 0 | 0 | 111 | T107 M108 T109 L114 N115 L188 | T107-V111 PolarHBondContact O-N 2.9Å; M108-V111 WeakPolarHBondContact O-CB 3.49Å; M108-V111 PolarHBondContact O-N 2.87Å; M108-V111 VanDerWaalsContact O-N 3.09Å; T109-V111 VanDerWaalsContact C-N 3.32Å; T109-V111 PolarHBondContact O-N 2.93Å; V111-L114 PolarHBondContact O-N 2.95Å; V111-N115 PolarHBondContact O-N 3.19Å; V111-N115 VanDerWaalsContact O-N 3.07Å; V111-N115 PolarHBondContact O-ND2 3.48Å; V111-L188 HydrophobicContact CG2-CD1 4.37Å |
| 112 | Y | 89.8 | Confident | 83.8 | Confident | 12 Ų | 12 | 43 Ų | 43 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.8 | -42.1 | 177.5 | -60.2 | -36.3 | 0 | 0 | 0 | 112.4 | M108 T109 L114 N115 L116 L162 C165 I166 D169 V194 C195 | M108-Y112 HydrophobicContact CB-CE2 4.1Å; M108-Y112 WeakPolarHBondContact O-CD2 3.34Å; M108-Y112 PolarHBondContact O-N 3.19Å; T109-Y112 PolarHBondContact O-N 3.19Å; Y112-L114 VanDerWaalsContact C-N 3.32Å; Y112-L114 PolarHBondContact O-N 3.38Å; Y112-N115 PolarHBondContact O-N 3.28Å; Y112-L116 WeakPolarHBondContact O-CB 3.39Å; Y112-L116 PolarHBondContact O-N 3.49Å; Y112-L162 HydrophobicContact CD1-CD2 3.89Å; Y112-L162 HydrophobicContact CG-CD2 4.39Å; Y112-C165 HydrophobicContact CD2-CB 4.14Å; Y112-C165 HydrophobicContact CE1-CB 4.3Å; Y112-C165 HydrophobicContact CE2-CB 3.82Å; Y112-I166 HydrophobicContact CD2-CG1 3.81Å; Y112-I166 HydrophobicContact CG-CG1 4.14Å; Y112-D169 HydrophobicContact CE2-CB 4.48Å; Y112-V194 HydrophobicContact CE1-CB 4.35Å; Y112-V194 HydrophobicContact CE1-CG1 4.01Å; Y112-C195 VanDerWaalsContact CD1-SG 3.5Å |
| 113 | L | 88.5 | Confident | 85.6 | Confident | 25 Ų | 25 | 32.3 Ų | 32.3 | 13% | 0.131 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.7 | -36.8 | 175.9 | -71.3 | 173.6 | 0 | 0 | 0 | 112.2 | Y98 T109 L116 A117 I166 Y344 | Y98-L113 HydrophobicContact CE2-CB 4.34Å; Y98-L113 WeakPolarHBondContact OH-CD1 3.4Å; T109-L113 HydrophobicContact CG2-CD1 3.97Å; T109-L113 HydrophobicContact CG2-CG 4.24Å; T109-L113 WeakPolarHBondContact O-CB 3.43Å; T109-L113 VanDerWaalsContact O-CG 3.24Å; T109-L113 WeakPolarHBondContact O-CG 3.45Å; T109-L113 PolarHBondContact O-N 3.44Å; L113-L116 PolarHBondContact O-N 3.01Å; L113-A117 PolarHBondContact O-N 3.09Å; L113-I166 HydrophobicContact CD2-CD1 4.09Å; L113-I166 HydrophobicContact CG-CD1 4.41Å; L113-Y344 HydrophobicContact CD2-CE1 3.9Å; L113-Y344 HydrophobicContact CD2-CE2 4.28Å; L113-Y344 WeakPolarHBondContact CD2-OH 3.4Å |
| 114 | L | 90 | Very high | 87.1 | Confident | 30 Ų | 30 | 28.2 Ų | 28.2 | 16% | 0.157 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 173.2 | 179.3 | 66.3 | 0 | 0 | 0 | 111.6 | V95 L105 D110 V111 Y112 L116 A117 V118 | V95-L114 HydrophobicContact CB-CD1 4.33Å; V95-L114 HydrophobicContact CG1-CD1 4.27Å; V95-L114 HydrophobicContact CG2-CD1 4.03Å; L105-L114 HydrophobicContact CD2-CD2 3.95Å; D110-L114 WeakPolarHBondContact O-CB 3.37Å; D110-L114 PolarHBondContact O-N 3.45Å; D110-L114 VanDerWaalsContact O-N 3.08Å; V111-L114 PolarHBondContact O-N 2.95Å; Y112-L114 VanDerWaalsContact C-N 3.32Å; Y112-L114 PolarHBondContact O-N 3.38Å; L114-L116 VanDerWaalsContact C-N 3.27Å; L114-L116 PolarHBondContact O-N 3.4Å; L114-A117 PolarHBondContact O-N 3.15Å; L114-V118 WeakPolarHBondContact O-CG2 3.24Å; L114-V118 PolarHBondContact O-N 3.35Å |
| 115 | N | 93.4 | Very high | 88.5 | Confident | 30 Ų | 30 | 31.5 Ų | 31.5 | 16% | 0.16 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -63.4 | -36.2 | 177.7 | -82 | -93.6 | 0 | 0 | 0 | 111.9 | V111 Y112 V118 A119 L162 C195 W199 | V111-N115 PolarHBondContact O-N 3.19Å; V111-N115 VanDerWaalsContact O-N 3.07Å; V111-N115 PolarHBondContact O-ND2 3.48Å; Y112-N115 PolarHBondContact O-N 3.28Å; N115-V118 PolarHBondContact O-N 3.34Å; N115-A119 WeakPolarHBondContact O-CB 3.35Å; N115-A119 PolarHBondContact O-N 3.4Å; N115-L162 HydrophobicContact CB-CD1 3.85Å; N115-L162 HydrophobicContact CB-CD2 4.14Å; N115-C195 PolarHBondContact ND2-SG 3.08Å; N115-C195 VanDerWaalsContact ND2-SG 3.41Å; N115-W199 PolarHBondContact OD1-NE1 3.27Å; N115-W199 VanDerWaalsContact OD1-NE1 3.08Å |
| 116 | L | 92.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.8 | -48 | 174.9 | -172.6 | 71.8 | 0 | 0 | 0 | 110.9 | Y112 L113 L114 V118 A119 D120 S159 L162 Y344 | Y112-L116 WeakPolarHBondContact O-CB 3.39Å; Y112-L116 PolarHBondContact O-N 3.49Å; L113-L116 PolarHBondContact O-N 3.01Å; L114-L116 VanDerWaalsContact C-N 3.27Å; L114-L116 PolarHBondContact O-N 3.4Å; L116-V118 VanDerWaalsContact C-N 3.29Å; L116-V118 PolarHBondContact O-N 2.93Å; L116-A119 PolarHBondContact O-N 2.87Å; L116-D120 PolarHBondContact O-N 3.48Å; L116-S159 VanDerWaalsContact CD1-OG 3.25Å; L116-S159 WeakPolarHBondContact CD1-OG 3.49Å; L116-L162 HydrophobicContact CB-CD1 4.16Å; L116-L162 HydrophobicContact CD1-CD1 4.35Å; L116-Y344 VanDerWaalsContact CD2-OH 3.31Å; L116-Y344 WeakPolarHBondContact CD2-OH 3.42Å |
| 117 | A | 92.9 | Very high | 90.6 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 3% | 0.025 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.4 | -35.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | N91 V94 V95 L113 L114 L121 | N91-A117 HydrophobicContact CB-CB 4.38Å; V94-A117 HydrophobicContact CB-CB 4.19Å; V94-A117 HydrophobicContact CG1-CB 3.81Å; V95-A117 HydrophobicContact CG2-CB 3.95Å; L113-A117 PolarHBondContact O-N 3.09Å; L114-A117 PolarHBondContact O-N 3.15Å; A117-L121 WeakPolarHBondContact O-CB 3.48Å; A117-L121 VanDerWaalsContact O-CG 3.23Å; A117-L121 WeakPolarHBondContact O-CG 3.14Å; A117-L121 PolarHBondContact O-N 2.68Å |
| 118 | V | 94.3 | Very high | 91.4 | Very high | 57 Ų | 57 | 21.1 Ų | 21.1 | 35% | 0.345 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -67.3 | -43.4 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | V95 L114 N115 L116 L121 L122 W199 | V95-V118 HydrophobicContact CG2-CG2 4.41Å; L114-V118 WeakPolarHBondContact O-CG2 3.24Å; L114-V118 PolarHBondContact O-N 3.35Å; N115-V118 PolarHBondContact O-N 3.34Å; L116-V118 VanDerWaalsContact C-N 3.29Å; L116-V118 PolarHBondContact O-N 2.93Å; V118-L121 PolarHBondContact O-N 2.87Å; V118-L122 HydrophobicContact CG1-CD1 4.31Å; V118-L122 WeakPolarHBondContact O-CG 3.23Å; V118-L122 PolarHBondContact O-N 2.85Å; V118-W199 HydrophobicContact CG1-CZ2 4.47Å |
| 119 | A | 95.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N115 L116 L121 L122 F123 N155 S158 W199 | N115-A119 WeakPolarHBondContact O-CB 3.35Å; N115-A119 PolarHBondContact O-N 3.4Å; L116-A119 PolarHBondContact O-N 2.87Å; A119-L121 VanDerWaalsContact C-N 3.34Å; A119-L121 PolarHBondContact O-N 2.89Å; A119-L122 PolarHBondContact O-N 3.24Å; A119-F123 PolarHBondContact O-N 3.43Å; A119-N155 VanDerWaalsContact CB-OD1 3.31Å; A119-N155 WeakPolarHBondContact CB-OD1 3.42Å; A119-N155 PolarHBondContact O-OD1 3.41Å; A119-S158 WeakPolarHBondContact CB-OG 3.37Å; A119-W199 HydrophobicContact CB-CH2 3.93Å; A119-W199 HydrophobicContact CB-CZ2 4.12Å |
| 120 | D | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | 176.8 | -75.1 | -26.5 | 0 | 0 | 0 | 110.9 | L116 F123 L124 N155 H336 A337 N340 | L116-D120 PolarHBondContact O-N 3.48Å; D120-F123 PolarHBondContact O-N 2.8Å; D120-L124 WeakPolarHBondContact O-CB 3.41Å; D120-L124 WeakPolarHBondContact O-CD1 3.29Å; D120-L124 WeakPolarHBondContact O-CG 3.48Å; D120-L124 PolarHBondContact O-N 3.03Å; D120-N155 PolarHBondContact N-OD1 3.43Å; D120-N155 PolarHBondContact OD1-OD1 2.99Å; D120-H336 IonicContact OD1-NE2 2.91Å; D120-A337 HydrophobicContact CB-CB 4.34Å; D120-N340 PolarHBondContact OD2-ND2 2.81Å |
| 121 | L | 95.2 | Very high | 92.6 | Very high | 28 Ų | 28 | 23.2 Ų | 23.2 | 15% | 0.147 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.4 | -43.4 | 175.9 | -75.4 | 168.6 | 0 | 0 | 0 | 112.9 | N91 L92 V95 A117 V118 A119 F123 L124 C125 | N91-L121 HydrophobicContact CB-CD1 4.27Å; N91-L121 HydrophobicContact CB-CD2 3.8Å; N91-L121 HydrophobicContact CB-CG 3.7Å; L92-L121 HydrophobicContact CD2-CD1 3.93Å; L92-L121 HydrophobicContact CD2-CD2 4.17Å; L92-L121 HydrophobicContact CG-CD1 4.34Å; L92-L121 HydrophobicContact CG-CD2 3.85Å; V95-L121 HydrophobicContact CG2-CD1 3.93Å; A117-L121 WeakPolarHBondContact O-CB 3.48Å; A117-L121 VanDerWaalsContact O-CG 3.23Å; A117-L121 WeakPolarHBondContact O-CG 3.14Å; A117-L121 PolarHBondContact O-N 2.68Å; V118-L121 PolarHBondContact O-N 2.87Å; A119-L121 VanDerWaalsContact C-N 3.34Å; A119-L121 PolarHBondContact O-N 2.89Å; L121-F123 VanDerWaalsContact C-N 3.28Å; L121-F123 PolarHBondContact O-N 2.88Å; L121-L124 HydrophobicContact CD2-CD1 4.45Å; L121-L124 PolarHBondContact O-N 2.98Å; L121-C125 PolarHBondContact O-N 3.44Å; L121-C125 VanDerWaalsContact O-N 3.07Å; L121-C125 PolarHBondContact O-SG 3Å |
| 122 | L | 95.1 | Very high | 92.7 | Very high | 81 Ų | 81 | 25.2 Ų | 25.2 | 42% | 0.424 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -60.6 | -40.5 | 176.7 | -72.4 | 171.2 | 0 | 0 | 0 | 111.3 | V118 A119 W199 | V118-L122 HydrophobicContact CG1-CD1 4.31Å; V118-L122 WeakPolarHBondContact O-CG 3.23Å; V118-L122 PolarHBondContact O-N 2.85Å; A119-L122 PolarHBondContact O-N 3.24Å; L122-W199 HydrophobicContact CD1-CH2 3.79Å; L122-W199 HydrophobicContact CD1-CZ3 4.33Å |
| 123 | F | 95.1 | Very high | 92.7 | Very high | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.7 | -44.9 | 174.7 | 167 | -111.9 | 0 | 0 | 0 | 112.5 | A119 D120 L121 C125 T126 L127 Y152 N155 F334 A337 | A119-F123 PolarHBondContact O-N 3.43Å; D120-F123 PolarHBondContact O-N 2.8Å; L121-F123 VanDerWaalsContact C-N 3.28Å; L121-F123 PolarHBondContact O-N 2.88Å; F123-C125 PolarHBondContact O-N 3.41Å; F123-T126 WeakPolarHBondContact O-CA 3.46Å; F123-T126 WeakPolarHBondContact O-CB 3.32Å; F123-T126 PolarHBondContact O-N 3.19Å; F123-T126 PolarHBondContact O-OG1 3.35Å; F123-L127 HydrophobicContact CE1-CD2 4.34Å; F123-L127 HydrophobicContact CE2-CD2 4.39Å; F123-L127 HydrophobicContact CZ-CD2 3.81Å; F123-L127 HydrophobicContact CZ-CG 4.39Å; F123-Y152 HydrophobicContact CD2-CD2 4.01Å; F123-Y152 AromaticContact CE2-CD2 3.54Å; F123-Y152 HydrophobicContact CE2-CD2 3.54Å; F123-Y152 HydrophobicContact CE2-CE2 4.5Å; F123-Y152 HydrophobicContact CE2-CG 4.2Å; F123-Y152 HydrophobicContact CZ-CD2 4.11Å; F123-N155 HydrophobicContact CB-CB 3.72Å; F123-N155 HydrophobicContact CG-CB 4.3Å; F123-F334 HydrophobicContact CE1-CB 4.29Å; F123-F334 HydrophobicContact CE1-CD1 4.4Å; F123-F334 HydrophobicContact CE1-CG 4.4Å; F123-F334 HydrophobicContact CE2-CD1 4.11Å; F123-F334 HydrophobicContact CE2-CE1 4.03Å; F123-F334 HydrophobicContact CE2-CG 4.49Å; F123-F334 HydrophobicContact CE2-CZ 4.33Å; F123-F334 HydrophobicContact CZ-CB 3.95Å; F123-F334 AromaticContact CZ-CD1 3.46Å; F123-F334 HydrophobicContact CZ-CD1 3.46Å; F123-F334 VanDerWaalsContact CZ-CD1 3.46Å; F123-F334 HydrophobicContact CZ-CD2 4.1Å; F123-F334 AromaticContact CZ-CE1 3.86Å; F123-F334 HydrophobicContact CZ-CE1 3.86Å; F123-F334 HydrophobicContact CZ-CE2 4.43Å; F123-F334 AromaticContact CZ-CG 3.58Å; F123-F334 HydrophobicContact CZ-CG 3.58Å; F123-F334 HydrophobicContact CZ-CZ 4.31Å; F123-A337 HydrophobicContact CD1-CB 3.83Å; F123-A337 HydrophobicContact CE1-CB 4.02Å |
| 124 | L | 95.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.7 | -37.5 | -180 | -72 | 163.5 | 0 | 0 | 0 | 111.7 | I83 F84 G87 D120 L121 T126 L127 P128 A337 | I83-L124 HydrophobicContact CG2-CD2 3.94Å; F84-L124 HydrophobicContact CD2-CB 4.35Å; F84-L124 VanDerWaalsContact CD2-O 3.23Å; F84-L124 WeakPolarHBondContact CD2-O 3.48Å; G87-L124 WeakPolarHBondContact O-CD1 3.26Å; D120-L124 WeakPolarHBondContact O-CB 3.41Å; D120-L124 WeakPolarHBondContact O-CD1 3.29Å; D120-L124 WeakPolarHBondContact O-CG 3.48Å; D120-L124 PolarHBondContact O-N 3.03Å; L121-L124 HydrophobicContact CD2-CD1 4.45Å; L121-L124 PolarHBondContact O-N 2.98Å; L124-T126 PolarHBondContact O-N 2.54Å; L124-L127 HydrophobicContact CD2-CD1 3.69Å; L124-L127 WeakPolarHBondContact O-CB 3.26Å; L124-L127 PolarHBondContact O-N 3.26Å; L124-P128 WeakPolarHBondContact O-CD 3.11Å; L124-A337 HydrophobicContact CD2-CB 4.08Å; L124-A337 HydrophobicContact CG-CB 4.26Å |
| 125 | C | 94.6 | Very high | 92.4 | Very high | 78 Ų | 78 | 26.8 Ų | 26.8 | 53% | 0.527 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -19.3 | 173.4 | -69.8 | 0 | 0 | 0 | 0 | 114 | L121 F123 | L121-C125 PolarHBondContact O-N 3.44Å; L121-C125 VanDerWaalsContact O-N 3.07Å; L121-C125 PolarHBondContact O-SG 3Å; F123-C125 PolarHBondContact O-N 3.41Å |
| 126 | T | 93.1 | Very high | 92 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -19.2 | 176.8 | 75.4 | 0 | 0 | 0 | 0 | 113.9 | F123 L124 P128 F129 W130 V148 L151 | F123-T126 WeakPolarHBondContact O-CA 3.46Å; F123-T126 WeakPolarHBondContact O-CB 3.32Å; F123-T126 PolarHBondContact O-N 3.19Å; F123-T126 PolarHBondContact O-OG1 3.35Å; L124-T126 PolarHBondContact O-N 2.54Å; T126-P128 VanDerWaalsContact C-CD 3.48Å; T126-F129 WeakPolarHBondContact O-CB 3.24Å; T126-F129 PolarHBondContact O-N 3.46Å; T126-F129 VanDerWaalsContact O-N 3.08Å; T126-W130 VanDerWaalsContact O-CD1 3.3Å; T126-W130 PolarHBondContact O-N 3.43Å; T126-V148 HydrophobicContact CG2-CG1 4.48Å; T126-V148 HydrophobicContact CG2-CG2 4.27Å; T126-L151 HydrophobicContact CG2-CB 3.86Å; T126-L151 HydrophobicContact CG2-CD1 3.5Å; T126-L151 HydrophobicContact CG2-CG 4.34Å |
| 127 | L | 92.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.8 | -37.7 | -177.9 | -72.1 | -178.6 | 0 | 0 | 0 | 114.8 | F80 I83 F84 F123 L124 F129 W130 A131 F334 | F80-L127 HydrophobicContact CB-CB 4.48Å; F80-L127 HydrophobicContact CD1-CD2 4.46Å; F80-L127 HydrophobicContact CG-CD2 4.41Å; I83-L127 HydrophobicContact CB-CD1 3.9Å; I83-L127 HydrophobicContact CG2-CD1 3.51Å; F84-L127 HydrophobicContact CB-CB 4.4Å; F84-L127 HydrophobicContact CB-CD1 4.33Å; F123-L127 HydrophobicContact CE1-CD2 4.34Å; F123-L127 HydrophobicContact CE2-CD2 4.39Å; F123-L127 HydrophobicContact CZ-CD2 3.81Å; F123-L127 HydrophobicContact CZ-CG 4.39Å; L124-L127 HydrophobicContact CD2-CD1 3.69Å; L124-L127 WeakPolarHBondContact O-CB 3.26Å; L124-L127 PolarHBondContact O-N 3.26Å; L127-F129 PolarHBondContact O-N 2.86Å; L127-W130 PolarHBondContact O-N 3.08Å; L127-W130 VanDerWaalsContact O-N 3.15Å; L127-A131 PolarHBondContact O-N 3.05Å; L127-F334 HydrophobicContact CD2-CB 4.34Å; L127-F334 HydrophobicContact CD2-CD2 3.5Å; L127-F334 VanDerWaalsContact CD2-CD2 3.5Å; L127-F334 HydrophobicContact CD2-CE2 3.97Å; L127-F334 HydrophobicContact CD2-CG 4.14Å |
| 128 | P | 92.7 | Very high | 91.2 | Very high | 31 Ų | 31 | 32.5 Ų | 32.5 | 20% | 0.201 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.5 | -34.3 | 174.6 | -26.8 | 36.3 | 0 | 0 | 0 | 113.2 | F84 L124 T126 A131 V132 | F84-P128 HydrophobicContact CD2-CG 4.26Å; F84-P128 HydrophobicContact CE2-CG 4.31Å; F84-P128 HydrophobicContact CG-CG 4.42Å; L124-P128 WeakPolarHBondContact O-CD 3.11Å; T126-P128 VanDerWaalsContact C-CD 3.48Å; P128-A131 PolarHBondContact O-N 3.09Å; P128-V132 WeakPolarHBondContact O-CG2 3.42Å; P128-V132 PolarHBondContact O-N 3.33Å; P128-V132 VanDerWaalsContact O-N 3.11Å |
| 129 | F | 91.4 | Very high | 90.8 | Very high | 72 Ų | 72 | 35.6 Ų | 35.6 | 32% | 0.316 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -66.4 | -43.4 | 176.2 | -63.1 | -94.6 | 0 | 0 | 0 | 111 | T126 L127 A131 V132 D133 W138 F140 V148 | T126-F129 WeakPolarHBondContact O-CB 3.24Å; T126-F129 PolarHBondContact O-N 3.46Å; T126-F129 VanDerWaalsContact O-N 3.08Å; L127-F129 PolarHBondContact O-N 2.86Å; F129-A131 VanDerWaalsContact C-N 3.3Å; F129-A131 PolarHBondContact O-N 3.38Å; F129-V132 PolarHBondContact O-N 3.33Å; F129-D133 WeakPolarHBondContact O-CB 3.37Å; F129-D133 PolarHBondContact O-N 3.24Å; F129-W138 HydrophobicContact CB-CH2 3.96Å; F129-W138 HydrophobicContact CB-CZ3 4.16Å; F129-F140 HydrophobicContact CB-CE2 4.37Å; F129-F140 AromaticContact CD1-CD1 3.88Å; F129-F140 HydrophobicContact CD1-CD1 3.88Å; F129-F140 AromaticContact CD1-CD2 3.86Å; F129-F140 HydrophobicContact CD1-CD2 3.86Å; F129-F140 AromaticContact CD1-CE1 3.95Å; F129-F140 HydrophobicContact CD1-CE1 3.95Å; F129-F140 AromaticContact CD1-CE2 3.94Å; F129-F140 HydrophobicContact CD1-CE2 3.94Å; F129-F140 AromaticContact CD1-CG 3.83Å; F129-F140 HydrophobicContact CD1-CG 3.83Å; F129-F140 AromaticContact CD1-CZ 3.97Å; F129-F140 HydrophobicContact CD1-CZ 3.97Å; F129-F140 AromaticContact CE1-CD1 3.95Å; F129-F140 HydrophobicContact CE1-CD1 3.95Å; F129-F140 HydrophobicContact CE1-CE1 4.12Å; F129-F140 HydrophobicContact CE1-CG 4.25Å; F129-V148 HydrophobicContact CB-CG2 4.25Å; F129-V148 HydrophobicContact CD2-CG2 4.28Å; F129-V148 HydrophobicContact CG-CG2 4.14Å |
| 130 | W | 90.5 | Very high | 90.3 | Very high | 15 Ų | 15 | 39 Ų | 39 | 6% | 0.057 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.6 | -33.2 | 174.9 | -67 | 110.6 | 0 | 0 | 0 | 113.1 | F80 T126 L127 A134 V148 F334 | F80-W130 HydrophobicContact CD2-CB 3.76Å; F80-W130 HydrophobicContact CE2-CB 3.69Å; T126-W130 VanDerWaalsContact O-CD1 3.3Å; T126-W130 PolarHBondContact O-N 3.43Å; L127-W130 PolarHBondContact O-N 3.08Å; L127-W130 VanDerWaalsContact O-N 3.15Å; W130-A134 PolarHBondContact O-N 3.46Å; W130-A134 VanDerWaalsContact O-N 3.13Å; W130-V148 HydrophobicContact CD2-CG1 4.27Å; W130-V148 VanDerWaalsContact CE2-CG1 3.43Å; W130-V148 HydrophobicContact CZ2-CG1 3.67Å; W130-F334 HydrophobicContact CG-CE2 4.22Å |
| 131 | A | 90.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.017 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.9 | -37.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P77 F80 L127 P128 F129 I135 | P77-A131 HydrophobicContact CB-CB 4.29Å; F80-A131 HydrophobicContact CB-CB 4.16Å; F80-A131 HydrophobicContact CD2-CB 4.32Å; L127-A131 PolarHBondContact O-N 3.05Å; P128-A131 PolarHBondContact O-N 3.09Å; F129-A131 VanDerWaalsContact C-N 3.3Å; F129-A131 PolarHBondContact O-N 3.38Å; A131-I135 WeakPolarHBondContact O-CG1 3.44Å |
| 132 | V | 90.3 | Very high | 89.4 | Confident | 57 Ų | 57 | 42.1 Ų | 42.1 | 35% | 0.345 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71.6 | -42.2 | 175.3 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | P128 F129 A134 I135 K136 F140 | P128-V132 WeakPolarHBondContact O-CG2 3.42Å; P128-V132 PolarHBondContact O-N 3.33Å; P128-V132 VanDerWaalsContact O-N 3.11Å; F129-V132 PolarHBondContact O-N 3.33Å; V132-A134 PolarHBondContact O-N 3.31Å; V132-I135 PolarHBondContact O-N 3.11Å; V132-K136 PolarHBondContact O-N 3.24Å; V132-F140 HydrophobicContact CB-CE2 3.95Å; V132-F140 HydrophobicContact CB-CZ 3.91Å; V132-F140 HydrophobicContact CG1-CE2 3.87Å; V132-F140 HydrophobicContact CG1-CZ 3.78Å; V132-F140 HydrophobicContact CG2-CZ 4.26Å |
| 133 | D | 88.3 | Confident | 89.1 | Confident | 9 Ų | 9 | 42.4 Ų | 42.4 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.5 | -43.1 | 173.7 | 177.4 | 74.7 | 0 | 0 | 0 | 111.8 | R72 F129 I135 G137 W138 | R72-D133 IonicContact CZ-OD2 3.7Å; R72-D133 IonicContact NH2-OD2 3.83Å; R72-D133 PolarHBondContact NH2-OD2 3.45Å; F129-D133 WeakPolarHBondContact O-CB 3.37Å; F129-D133 PolarHBondContact O-N 3.24Å; D133-I135 VanDerWaalsContact C-N 3.29Å; D133-I135 PolarHBondContact O-N 3.48Å; D133-G137 WeakPolarHBondContact CA-O 3.34Å; D133-G137 VanDerWaalsContact O-CA 3.31Å; D133-G137 WeakPolarHBondContact O-CA 3.29Å; D133-G137 PolarHBondContact O-N 3.42Å; D133-W138 HydrophobicContact CB-CE3 3.87Å; D133-W138 HydrophobicContact CB-CZ3 4.31Å |
| 134 | A | 86.4 | Confident | 88.8 | Confident | 6 Ų | 6 | 44.2 Ų | 44.2 | 5% | 0.05 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.1 | -25.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R72 S73 E76 P77 W130 V132 | R72-A134 HydrophobicContact CG-CB 4.36Å; S73-A134 WeakPolarHBondContact CA-O 3.35Å; S73-A134 VanDerWaalsContact CB-O 3.25Å; S73-A134 WeakPolarHBondContact CB-O 3.44Å; E76-A134 HydrophobicContact CB-CB 3.9Å; E76-A134 WeakPolarHBondContact OE2-CB 3.39Å; P77-A134 HydrophobicContact CG-CB 4.03Å; W130-A134 PolarHBondContact O-N 3.46Å; W130-A134 VanDerWaalsContact O-N 3.13Å; V132-A134 PolarHBondContact O-N 3.31Å |
| 135 | I | 86.6 | Confident | 88.4 | Confident | 86 Ų | 86 | 44.2 Ų | 44.2 | 44% | 0.441 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -94.8 | -46.1 | -175.8 | -57.6 | 168.3 | 0 | 0 | 0 | 111.8 | P77 A131 V132 D133 | P77-I135 HydrophobicContact CB-CD1 3.89Å; P77-I135 HydrophobicContact CB-CG1 4.14Å; P77-I135 HydrophobicContact CG-CD1 3.75Å; P77-I135 HydrophobicContact CG-CG1 3.41Å; P77-I135 VanDerWaalsContact CG-CG1 3.41Å; A131-I135 WeakPolarHBondContact O-CG1 3.44Å; V132-I135 PolarHBondContact O-N 3.11Å; D133-I135 VanDerWaalsContact C-N 3.29Å; D133-I135 PolarHBondContact O-N 3.48Å |
| 136 | K | 84.4 | Confident | 88.2 | Confident | 145 Ų | 145 | 42.8 Ų | 42.8 | 63% | 0.63 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -122.1 | -7.6 | -168.1 | -61.4 | -173 | 179.1 | -178.2 | 0 | 113.8 | V132 | V132-K136 PolarHBondContact O-N 3.24Å |
| 137 | G | 82.8 | Confident | 88.1 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 6% | 0.062 | 26% | 0.261 | C | S | . | . | trans | 87.7 | -175.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | D133 D139 S223 | D133-G137 WeakPolarHBondContact CA-O 3.34Å; D133-G137 VanDerWaalsContact O-CA 3.31Å; D133-G137 WeakPolarHBondContact O-CA 3.29Å; D133-G137 PolarHBondContact O-N 3.42Å; G137-D139 PolarHBondContact O-N 3.46Å; G137-S223 CarbonylContact C-O 3.52Å; G137-S223 WeakPolarHBondContact CA-O 3.5Å | ||
| 138 | W | 85.6 | Confident | 88.1 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.015 | 26% | 0.262 | C | S | . | . | trans | -95.2 | 94 | -170.3 | -169.1 | -86.7 | 0 | 0 | 0 | 113 | F129 D133 F140 G141 S144 C145 V148 V215 S223 C225 | F129-W138 HydrophobicContact CB-CH2 3.96Å; F129-W138 HydrophobicContact CB-CZ3 4.16Å; D133-W138 HydrophobicContact CB-CE3 3.87Å; D133-W138 HydrophobicContact CB-CZ3 4.31Å; W138-F140 HydrophobicContact CD2-CD2 4.18Å; W138-F140 HydrophobicContact CE3-CD2 4.29Å; W138-F140 HydrophobicContact CH2-CD2 4.18Å; W138-F140 HydrophobicContact CZ2-CB 3.83Å; W138-F140 HydrophobicContact CZ2-CD2 4.03Å; W138-F140 HydrophobicContact CZ2-CG 4.36Å; W138-F140 HydrophobicContact CZ3-CD2 4.3Å; W138-G141 PolarHBondContact NE1-O 3.05Å; W138-S144 VanDerWaalsContact CZ2-C 3.43Å; W138-C145 HydrophobicContact CD2-CB 4.36Å; W138-C145 HydrophobicContact CZ2-CB 3.91Å; W138-V148 HydrophobicContact CH2-CB 4.08Å; W138-V148 HydrophobicContact CH2-CG1 4.21Å; W138-V148 HydrophobicContact CH2-CG2 4.1Å; W138-V215 VanDerWaalsContact CD1-CG2 3.43Å; W138-V215 HydrophobicContact CG-CG2 4.27Å; W138-S223 VanDerWaalsContact C-OG 3.23Å; W138-S223 PolarHBondContact N-O 3.07Å; W138-S223 PolarHBondContact N-OG 3.38Å; W138-S223 WeakPolarHBondContact O-CB 3.36Å; W138-S223 PolarHBondContact O-OG 2.85Å; W138-C225 HydrophobicContact CB-CB 4.35Å; W138-C225 HydrophobicContact CD2-CB 3.67Å; W138-C225 HydrophobicContact CE3-CB 3.67Å; W138-C225 HydrophobicContact CG-CB 3.94Å; W138-C225 HydrophobicContact CZ3-CB 4.29Å | ||
| 139 | D | 85.6 | Confident | 88 | Confident | 121 Ų | 121 | 45.9 Ų | 45.9 | 65% | 0.647 | 26% | 0.255 | S | S | * | . | trans | -97.8 | 1.2 | 179.3 | -69.5 | -28.6 | 0 | 0 | 0 | 114.4 | G137 G141 | G137-D139 PolarHBondContact O-N 3.46Å; D139-G141 VanDerWaalsContact C-N 3.25Å; D139-G141 PolarHBondContact O-N 3.45Å | ||
| 140 | F | 84.8 | Confident | 88 | Confident | 74 Ų | 74 | 42.9 Ų | 42.9 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -83.6 | 3.7 | -174.3 | -55.4 | -76.6 | 0 | 0 | 0 | 114.4 | F129 V132 W138 S144 | F129-F140 HydrophobicContact CB-CE2 4.37Å; F129-F140 AromaticContact CD1-CD1 3.88Å; F129-F140 HydrophobicContact CD1-CD1 3.88Å; F129-F140 AromaticContact CD1-CD2 3.86Å; F129-F140 HydrophobicContact CD1-CD2 3.86Å; F129-F140 AromaticContact CD1-CE1 3.95Å; F129-F140 HydrophobicContact CD1-CE1 3.95Å; F129-F140 AromaticContact CD1-CE2 3.94Å; F129-F140 HydrophobicContact CD1-CE2 3.94Å; F129-F140 AromaticContact CD1-CG 3.83Å; F129-F140 HydrophobicContact CD1-CG 3.83Å; F129-F140 AromaticContact CD1-CZ 3.97Å; F129-F140 HydrophobicContact CD1-CZ 3.97Å; F129-F140 AromaticContact CE1-CD1 3.95Å; F129-F140 HydrophobicContact CE1-CD1 3.95Å; F129-F140 HydrophobicContact CE1-CE1 4.12Å; F129-F140 HydrophobicContact CE1-CG 4.25Å; V132-F140 HydrophobicContact CB-CE2 3.95Å; V132-F140 HydrophobicContact CB-CZ 3.91Å; V132-F140 HydrophobicContact CG1-CE2 3.87Å; V132-F140 HydrophobicContact CG1-CZ 3.78Å; V132-F140 HydrophobicContact CG2-CZ 4.26Å; W138-F140 HydrophobicContact CD2-CD2 4.18Å; W138-F140 HydrophobicContact CE3-CD2 4.29Å; W138-F140 HydrophobicContact CH2-CD2 4.18Å; W138-F140 HydrophobicContact CZ2-CB 3.83Å; W138-F140 HydrophobicContact CZ2-CD2 4.03Å; W138-F140 HydrophobicContact CZ2-CG 4.36Å; W138-F140 HydrophobicContact CZ3-CD2 4.3Å; F140-S144 VanDerWaalsContact O-CB 3.27Å; F140-S144 WeakPolarHBondContact O-CB 3.27Å; F140-S144 PolarHBondContact O-OG 2.97Å |
| 141 | G | 85.9 | Confident | 88.1 | Confident | 38 Ų | 38 | 44.4 Ų | 44.4 | 39% | 0.392 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | 75.8 | 169.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | W138 D139 S143 S144 C145 | W138-G141 PolarHBondContact NE1-O 3.05Å; D139-G141 VanDerWaalsContact C-N 3.25Å; D139-G141 PolarHBondContact O-N 3.45Å; G141-S143 PolarHBondContact O-N 2.89Å; G141-S144 PolarHBondContact O-N 3.41Å; G141-C145 PolarHBondContact O-N 2.96Å |
| 142 | S | 86 | Confident | 88.1 | Confident | 54 Ų | 54 | 44.8 Ų | 44.8 | 38% | 0.378 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | -173.9 | -177.1 | 0 | 0 | 0 | 0 | 113.6 | S144 C145 K146 | S142-S144 VanDerWaalsContact C-N 3.33Å; S142-S144 PolarHBondContact O-N 2.84Å; S142-C145 WeakPolarHBondContact O-CB 3.39Å; S142-C145 PolarHBondContact O-N 2.81Å; S142-C145 VanDerWaalsContact O-N 3.17Å; S142-K146 WeakPolarHBondContact O-CG 3.4Å; S142-K146 PolarHBondContact O-N 3.5Å |
| 143 | S | 87.9 | Confident | 88.1 | Confident | 88 Ų | 88 | 42.5 Ų | 42.5 | 62% | 0.615 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -59.1 | -43.7 | -179.8 | -55.1 | 0 | 0 | 0 | 0 | 112.4 | G141 K146 I147 | G141-S143 PolarHBondContact O-N 2.89Å; S143-K146 PolarHBondContact O-N 2.91Å; S143-I147 VanDerWaalsContact O-CG1 3.28Å; S143-I147 WeakPolarHBondContact O-CG1 3.44Å; S143-I147 PolarHBondContact O-N 3.4Å |
| 144 | S | 88.8 | Confident | 88.3 | Confident | 39 Ų | 39 | 43.3 Ų | 43.3 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.1 | -39.4 | 178.8 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | W138 F140 G141 S142 K146 I147 V148 | W138-S144 VanDerWaalsContact CZ2-C 3.43Å; F140-S144 VanDerWaalsContact O-CB 3.27Å; F140-S144 WeakPolarHBondContact O-CB 3.27Å; F140-S144 PolarHBondContact O-OG 2.97Å; G141-S144 PolarHBondContact O-N 3.41Å; S142-S144 VanDerWaalsContact C-N 3.33Å; S142-S144 PolarHBondContact O-N 2.84Å; S144-K146 VanDerWaalsContact C-N 3.34Å; S144-K146 PolarHBondContact O-N 3.32Å; S144-I147 PolarHBondContact O-N 3.08Å; S144-V148 VanDerWaalsContact O-CB 3.31Å; S144-V148 WeakPolarHBondContact O-CB 3.5Å; S144-V148 WeakPolarHBondContact O-CG2 3.22Å; S144-V148 PolarHBondContact O-N 2.92Å |
| 145 | C | 88.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.7 | -44.8 | 177.5 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | W138 G141 S142 S149 V215 C225 | W138-C145 HydrophobicContact CD2-CB 4.36Å; W138-C145 HydrophobicContact CZ2-CB 3.91Å; G141-C145 PolarHBondContact O-N 2.96Å; S142-C145 WeakPolarHBondContact O-CB 3.39Å; S142-C145 PolarHBondContact O-N 2.81Å; S142-C145 VanDerWaalsContact O-N 3.17Å; C145-S149 VanDerWaalsContact O-CB 3.26Å; C145-S149 WeakPolarHBondContact O-CB 3.37Å; C145-S149 PolarHBondContact O-N 3.46Å; C145-S149 PolarHBondContact O-OG 2.89Å; C145-V215 HydrophobicContact CB-CG2 3.84Å; C145-C225 WeakPolarHBondContact CA-SG 3.46Å; C145-C225 HydrophobicContact CB-CB 3.85Å; C145-C225 WeakPolarHBondContact CB-SG 3.25Å; C145-C225 VanDerWaalsContact SG-CA 3.57Å; C145-C225 WeakPolarHBondContact SG-CB 3.48Å; C145-C225 CovalentContact SG-SG 2.03Å; C145-C225 PolarHBondContact SG-SG 3.48Å |
| 146 | K | 90.2 | Very high | 88.8 | Confident | 48 Ų | 48 | 39.2 Ų | 39.2 | 21% | 0.209 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -47.6 | 176 | -69 | -179.9 | 178.5 | -164.9 | 0 | 112.4 | S142 S143 S144 A150 F210 A213 | S142-K146 WeakPolarHBondContact O-CG 3.4Å; S142-K146 PolarHBondContact O-N 3.5Å; S143-K146 PolarHBondContact O-N 2.91Å; S144-K146 VanDerWaalsContact C-N 3.34Å; S144-K146 PolarHBondContact O-N 3.32Å; K146-A150 WeakPolarHBondContact O-CB 3.28Å; K146-A150 PolarHBondContact O-N 2.89Å; K146-F210 HydrophobicContact CB-CD2 3.96Å; K146-F210 HydrophobicContact CB-CE2 3.94Å; K146-F210 WeakPolarHBondContact CD-O 3.31Å; K146-F210 WeakPolarHBondContact CG-O 3.18Å; K146-A213 WeakPolarHBondContact CE-O 3.49Å; K146-A213 HydrophobicContact CG-CB 4.14Å; K146-A213 WeakPolarHBondContact CG-O 3.26Å |
| 147 | I | 91.2 | Very high | 89.2 | Confident | 88 Ų | 88 | 32.5 Ų | 32.5 | 45% | 0.451 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.7 | -47.9 | -178.2 | -68.6 | 166 | 0 | 0 | 0 | 110.9 | S143 S144 A150 L151 F210 | S143-I147 VanDerWaalsContact O-CG1 3.28Å; S143-I147 WeakPolarHBondContact O-CG1 3.44Å; S143-I147 PolarHBondContact O-N 3.4Å; S144-I147 PolarHBondContact O-N 3.08Å; I147-A150 PolarHBondContact O-N 3.49Å; I147-L151 HydrophobicContact CG2-CD1 3.84Å; I147-L151 HydrophobicContact CG2-CG 4.3Å; I147-L151 WeakPolarHBondContact O-CB 3.36Å; I147-L151 VanDerWaalsContact O-CG 3.3Å; I147-L151 WeakPolarHBondContact O-CG 2.98Å; I147-L151 PolarHBondContact O-N 3.38Å; I147-F210 HydrophobicContact CG1-CE2 4.37Å |
| 148 | V | 91.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 32.2 Ų | 32.2 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.4 | -43.3 | -178 | 164 | 0 | 0 | 0 | 0 | 111.3 | T126 F129 W130 W138 S144 L151 Y152 | T126-V148 HydrophobicContact CG2-CG1 4.48Å; T126-V148 HydrophobicContact CG2-CG2 4.27Å; F129-V148 HydrophobicContact CB-CG2 4.25Å; F129-V148 HydrophobicContact CD2-CG2 4.28Å; F129-V148 HydrophobicContact CG-CG2 4.14Å; W130-V148 HydrophobicContact CD2-CG1 4.27Å; W130-V148 VanDerWaalsContact CE2-CG1 3.43Å; W130-V148 HydrophobicContact CZ2-CG1 3.67Å; W138-V148 HydrophobicContact CH2-CB 4.08Å; W138-V148 HydrophobicContact CH2-CG1 4.21Å; W138-V148 HydrophobicContact CH2-CG2 4.1Å; S144-V148 VanDerWaalsContact O-CB 3.31Å; S144-V148 WeakPolarHBondContact O-CB 3.5Å; S144-V148 WeakPolarHBondContact O-CG2 3.22Å; S144-V148 PolarHBondContact O-N 2.92Å; V148-L151 PolarHBondContact O-N 2.91Å; V148-Y152 PolarHBondContact O-N 3.29Å |
| 149 | S | 89.8 | Confident | 90 | Very high | 7 Ų | 7 | 32 Ų | 32 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 176 | -55.7 | 0 | 0 | 0 | 0 | 111.6 | C145 L151 Y152 K153 | C145-S149 VanDerWaalsContact O-CB 3.26Å; C145-S149 WeakPolarHBondContact O-CB 3.37Å; C145-S149 PolarHBondContact O-N 3.46Å; C145-S149 PolarHBondContact O-OG 2.89Å; S149-L151 PolarHBondContact O-N 3.29Å; S149-Y152 PolarHBondContact O-N 3.01Å; S149-K153 PolarHBondContact O-N 3.31Å |
| 150 | A | 91.3 | Very high | 90.3 | Very high | 8 Ų | 8 | 26.3 Ų | 26.3 | 7% | 0.066 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.1 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | K146 I147 Y152 K153 I154 F210 | K146-A150 WeakPolarHBondContact O-CB 3.28Å; K146-A150 PolarHBondContact O-N 2.89Å; I147-A150 PolarHBondContact O-N 3.49Å; A150-Y152 VanDerWaalsContact C-N 3.32Å; A150-Y152 PolarHBondContact O-N 3.31Å; A150-K153 PolarHBondContact O-N 3.16Å; A150-I154 WeakPolarHBondContact O-CB 3.36Å; A150-I154 VanDerWaalsContact O-CG1 3.23Å; A150-I154 WeakPolarHBondContact O-CG1 3.25Å; A150-I154 PolarHBondContact O-N 3.35Å; A150-F210 HydrophobicContact CB-CB 4.1Å; A150-F210 HydrophobicContact CB-CD2 4.08Å |
| 151 | L | 93.8 | Very high | 90.6 | Very high | 48 Ų | 48 | 24.8 Ų | 24.8 | 25% | 0.251 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -61 | -38.9 | 178 | -79.4 | 172.6 | 0 | 0 | 0 | 112.3 | T126 I147 V148 S149 N155 | T126-L151 HydrophobicContact CG2-CB 3.86Å; T126-L151 HydrophobicContact CG2-CD1 3.5Å; T126-L151 HydrophobicContact CG2-CG 4.34Å; I147-L151 HydrophobicContact CG2-CD1 3.84Å; I147-L151 HydrophobicContact CG2-CG 4.3Å; I147-L151 WeakPolarHBondContact O-CB 3.36Å; I147-L151 VanDerWaalsContact O-CG 3.3Å; I147-L151 WeakPolarHBondContact O-CG 2.98Å; I147-L151 PolarHBondContact O-N 3.38Å; V148-L151 PolarHBondContact O-N 2.91Å; S149-L151 PolarHBondContact O-N 3.29Å; L151-N155 WeakPolarHBondContact O-CB 3.22Å; L151-N155 PolarHBondContact O-N 3.46Å |
| 152 | Y | 90.5 | Very high | 90.9 | Very high | 10 Ų | 10 | 23 Ų | 23 | 4% | 0.039 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.8 | -49.4 | 172.5 | 166.6 | -113.9 | 0 | 0 | 0 | 111.7 | F123 V148 S149 A150 N155 F156 Q294 H297 F334 | F123-Y152 HydrophobicContact CD2-CD2 4.01Å; F123-Y152 AromaticContact CE2-CD2 3.54Å; F123-Y152 HydrophobicContact CE2-CD2 3.54Å; F123-Y152 HydrophobicContact CE2-CE2 4.5Å; F123-Y152 HydrophobicContact CE2-CG 4.2Å; F123-Y152 HydrophobicContact CZ-CD2 4.11Å; V148-Y152 PolarHBondContact O-N 3.29Å; S149-Y152 PolarHBondContact O-N 3.01Å; A150-Y152 VanDerWaalsContact C-N 3.32Å; A150-Y152 PolarHBondContact O-N 3.31Å; Y152-N155 PolarHBondContact O-N 2.9Å; Y152-F156 PolarHBondContact O-N 3.41Å; Y152-Q294 PolarHBondContact OH-OE1 3.1Å; Y152-H297 PolarHBondContact OH-CD2 3.5Å; Y152-F334 HydrophobicContact CD2-CD1 4.1Å; Y152-F334 AromaticContact CD2-CE1 3.55Å; Y152-F334 HydrophobicContact CD2-CE1 3.55Å; Y152-F334 HydrophobicContact CD2-CZ 4.46Å; Y152-F334 HydrophobicContact CE1-CE1 4.48Å; Y152-F334 AromaticContact CE2-CD1 3.82Å; Y152-F334 HydrophobicContact CE2-CD1 3.82Å; Y152-F334 AromaticContact CE2-CE1 3.49Å; Y152-F334 HydrophobicContact CE2-CE1 3.49Å; Y152-F334 VanDerWaalsContact CE2-CE1 3.49Å; Y152-F334 HydrophobicContact CG-CE1 4.12Å; Y152-F334 AromaticContact CZ-CE1 3.99Å |
| 153 | K | 89.4 | Confident | 91.1 | Very high | 8 Ų | 8 | 20.5 Ų | 20.5 | 4% | 0.035 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -66.1 | -39.6 | 179.1 | -69.1 | -61.6 | -171.6 | -178.9 | 0 | 112.9 | S149 A150 N155 F156 F157 A206 E209 | S149-K153 PolarHBondContact O-N 3.31Å; A150-K153 PolarHBondContact O-N 3.16Å; K153-N155 VanDerWaalsContact C-N 3.33Å; K153-N155 PolarHBondContact O-N 3.3Å; K153-F156 PolarHBondContact O-N 3.29Å; K153-F157 HydrophobicContact CB-CD2 4.42Å; K153-F157 HydrophobicContact CB-CE2 4.08Å; K153-F157 WeakPolarHBondContact O-CD2 3.31Å; K153-F157 WeakPolarHBondContact O-CG 3.38Å; K153-F157 PolarHBondContact O-N 3.05Å; K153-A206 HydrophobicContact CB-CB 3.89Å; K153-E209 HydrophobicContact CB-CB 4.32Å; K153-E209 HydrophobicContact CB-CG 4.41Å; K153-E209 VanDerWaalsContact CE-OE1 3.27Å; K153-E209 WeakPolarHBondContact CE-OE1 3.4Å; K153-E209 WeakPolarHBondContact CE-OE2 3.32Å; K153-E209 HydrophobicContact CG-CB 3.81Å; K153-E209 HydrophobicContact CG-CG 3.53Å |
| 154 | I | 93.3 | Very high | 91.2 | Very high | 26 Ų | 26 | 17.1 Ų | 17.1 | 13% | 0.133 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.8 | -49.6 | 174 | -69.7 | 166.2 | 0 | 0 | 0 | 109.4 | A150 F156 F157 S158 W199 I203 A206 | A150-I154 WeakPolarHBondContact O-CB 3.36Å; A150-I154 VanDerWaalsContact O-CG1 3.23Å; A150-I154 WeakPolarHBondContact O-CG1 3.25Å; A150-I154 PolarHBondContact O-N 3.35Å; I154-F156 PolarHBondContact O-N 3.49Å; I154-F157 PolarHBondContact O-N 3.42Å; I154-S158 VanDerWaalsContact O-CB 3.31Å; I154-S158 WeakPolarHBondContact O-CB 3.38Å; I154-S158 PolarHBondContact O-N 3.4Å; I154-S158 PolarHBondContact O-OG 3.49Å; I154-W199 HydrophobicContact CG2-CE3 4.14Å; I154-W199 HydrophobicContact CG2-CZ3 3.7Å; I154-I203 HydrophobicContact CD1-CG1 4.08Å; I154-I203 HydrophobicContact CG1-CG1 4.32Å; I154-A206 HydrophobicContact CD1-CB 4.4Å; I154-A206 HydrophobicContact CG1-CB 3.5Å; I154-A206 VanDerWaalsContact CG1-CB 3.5Å |
| 155 | N | 93.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 178 | -176.6 | 54.7 | 0 | 0 | 0 | 111.6 | A119 D120 F123 L151 Y152 K153 F157 S158 S159 H336 | A119-N155 VanDerWaalsContact CB-OD1 3.31Å; A119-N155 WeakPolarHBondContact CB-OD1 3.42Å; A119-N155 PolarHBondContact O-OD1 3.41Å; D120-N155 PolarHBondContact N-OD1 3.43Å; D120-N155 PolarHBondContact OD1-OD1 2.99Å; F123-N155 HydrophobicContact CB-CB 3.72Å; F123-N155 HydrophobicContact CG-CB 4.3Å; L151-N155 WeakPolarHBondContact O-CB 3.22Å; L151-N155 PolarHBondContact O-N 3.46Å; Y152-N155 PolarHBondContact O-N 2.9Å; K153-N155 VanDerWaalsContact C-N 3.33Å; K153-N155 PolarHBondContact O-N 3.3Å; N155-F157 PolarHBondContact O-N 3.13Å; N155-S158 WeakPolarHBondContact CA-OG 3.42Å; N155-S158 PolarHBondContact O-N 3.11Å; N155-S158 PolarHBondContact O-OG 2.84Å; N155-S158 VanDerWaalsContact O-OG 3.07Å; N155-S159 WeakPolarHBondContact O-CB 3.33Å; N155-S159 PolarHBondContact O-N 2.97Å; N155-S159 PolarHBondContact O-OG 3.15Å; N155-S159 PolarHBondContact OD1-OG 3.11Å; N155-H336 PolarHBondContact ND2-CE1 2.96Å; N155-H336 PolarHBondContact ND2-NE2 3.4Å |
| 156 | F | 90.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 16.7 Ų | 16.7 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -55.3 | -53.1 | 177.6 | 171.9 | -100.3 | 0 | 0 | 0 | 112.4 | Y152 K153 I154 M160 F250 F290 Q294 | Y152-F156 PolarHBondContact O-N 3.41Å; K153-F156 PolarHBondContact O-N 3.29Å; I154-F156 PolarHBondContact O-N 3.49Å; F156-M160 WeakPolarHBondContact O-CB 3.45Å; F156-M160 PolarHBondContact O-N 3.33Å; F156-M160 VanDerWaalsContact O-N 3.09Å; F156-F250 HydrophobicContact CE2-CD2 4.38Å; F156-F250 HydrophobicContact CZ-CB 4.19Å; F156-F250 HydrophobicContact CZ-CD2 4.01Å; F156-F290 HydrophobicContact CD2-CZ 4.06Å; F156-F290 HydrophobicContact CE2-CE1 4.35Å; F156-F290 HydrophobicContact CE2-CZ 4.22Å; F156-Q294 HydrophobicContact CD2-CB 4.46Å; F156-Q294 HydrophobicContact CD2-CG 4Å; F156-Q294 HydrophobicContact CE2-CB 3.84Å; F156-Q294 HydrophobicContact CE2-CG 3.81Å |
| 157 | F | 91.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 14.4 Ų | 14.4 | 2% | 0.018 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -66.7 | -42.6 | -179.6 | -64.6 | -52.8 | 0 | 0 | 0 | 111.9 | K153 I154 N155 S159 M160 L161 M205 Q245 | K153-F157 HydrophobicContact CB-CD2 4.42Å; K153-F157 HydrophobicContact CB-CE2 4.08Å; K153-F157 WeakPolarHBondContact O-CD2 3.31Å; K153-F157 WeakPolarHBondContact O-CG 3.38Å; K153-F157 PolarHBondContact O-N 3.05Å; I154-F157 PolarHBondContact O-N 3.42Å; N155-F157 PolarHBondContact O-N 3.13Å; F157-S159 PolarHBondContact O-N 2.95Å; F157-M160 PolarHBondContact O-N 3.15Å; F157-L161 WeakPolarHBondContact O-CB 3.13Å; F157-L161 VanDerWaalsContact O-CG 3.25Å; F157-L161 WeakPolarHBondContact O-CG 3.48Å; F157-L161 PolarHBondContact O-N 2.83Å; F157-M205 HydrophobicContact CD1-CB 4.37Å; F157-M205 HydrophobicContact CD2-CB 3.52Å; F157-M205 HydrophobicContact CE1-CB 4.41Å; F157-M205 HydrophobicContact CE1-CE 4.21Å; F157-M205 HydrophobicContact CE2-CB 3.56Å; F157-M205 WeakPolarHBondContact CE2-O 3.25Å; F157-M205 HydrophobicContact CG-CB 3.96Å; F157-M205 HydrophobicContact CZ-CB 4.03Å; F157-M205 HydrophobicContact CZ-CE 4.31Å; F157-Q245 HydrophobicContact CZ-CB 4.13Å; F157-Q245 HydrophobicContact CZ-CG 4.08Å |
| 158 | S | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -64.3 | -43.4 | -179.9 | 62.1 | 0 | 0 | 0 | 0 | 111.3 | A119 I154 N155 L161 L162 S202 | A119-S158 WeakPolarHBondContact CB-OG 3.37Å; I154-S158 VanDerWaalsContact O-CB 3.31Å; I154-S158 WeakPolarHBondContact O-CB 3.38Å; I154-S158 PolarHBondContact O-N 3.4Å; I154-S158 PolarHBondContact O-OG 3.49Å; N155-S158 WeakPolarHBondContact CA-OG 3.42Å; N155-S158 PolarHBondContact O-N 3.11Å; N155-S158 PolarHBondContact O-OG 2.84Å; N155-S158 VanDerWaalsContact O-OG 3.07Å; S158-L161 PolarHBondContact O-N 2.96Å; S158-L162 VanDerWaalsContact O-CB 3.26Å; S158-L162 WeakPolarHBondContact O-CB 3.23Å; S158-L162 WeakPolarHBondContact O-CD1 3.27Å; S158-L162 WeakPolarHBondContact O-CG 3.42Å; S158-L162 PolarHBondContact O-N 3.49Å; S158-S202 WeakPolarHBondContact CA-OG 3.41Å; S158-S202 WeakPolarHBondContact CB-OG 3.42Å; S158-S202 PolarHBondContact N-OG 3.27Å; S158-S202 VanDerWaalsContact N-OG 3.15Å |
| 159 | S | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -64.5 | -44.4 | -179.9 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | L116 N155 F157 L162 L163 | L116-S159 VanDerWaalsContact CD1-OG 3.25Å; L116-S159 WeakPolarHBondContact CD1-OG 3.49Å; N155-S159 WeakPolarHBondContact O-CB 3.33Å; N155-S159 PolarHBondContact O-N 2.97Å; N155-S159 PolarHBondContact O-OG 3.15Å; N155-S159 PolarHBondContact OD1-OG 3.11Å; F157-S159 PolarHBondContact O-N 2.95Å; S159-L162 PolarHBondContact O-N 3.24Å; S159-L163 WeakPolarHBondContact O-CB 3.44Å; S159-L163 VanDerWaalsContact O-CG 3.25Å; S159-L163 WeakPolarHBondContact O-CG 3.49Å; S159-L163 PolarHBondContact O-N 2.99Å |
| 160 | M | 90.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64 | -43.9 | 177.6 | -169 | 63.5 | 161.1 | 0 | 0 | 112.4 | F156 F157 T164 G249 F250 P253 L254 M257 F290 | F156-M160 WeakPolarHBondContact O-CB 3.45Å; F156-M160 PolarHBondContact O-N 3.33Å; F156-M160 VanDerWaalsContact O-N 3.09Å; F157-M160 PolarHBondContact O-N 3.15Å; M160-T164 PolarHBondContact O-N 3.28Å; M160-T164 PolarHBondContact O-OG1 3Å; M160-G249 WeakPolarHBondContact CG-O 3.46Å; M160-F250 HydrophobicContact CE-CD2 4.01Å; M160-F250 HydrophobicContact CE-CE2 4.34Å; M160-F250 WeakPolarHBondContact CE-O 3.48Å; M160-P253 HydrophobicContact CE-CB 3.84Å; M160-P253 HydrophobicContact CG-CB 3.44Å; M160-P253 VanDerWaalsContact CG-CB 3.44Å; M160-P253 HydrophobicContact CG-CG 3.88Å; M160-P253 HydrophobicContact SD-CB 4.23Å; M160-L254 HydrophobicContact CE-CB 3.93Å; M160-M257 HydrophobicContact CE-CE 3.3Å; M160-M257 HydrophobicContact SD-CE 3.46Å; M160-M257 WeakPolarHBondContact SD-CE 3.49Å; M160-F290 HydrophobicContact CB-CE1 4Å; M160-F290 HydrophobicContact CB-CZ 4.17Å; M160-F290 HydrophobicContact CG-CE1 4.25Å; M160-F290 HydrophobicContact SD-CD1 3.81Å; M160-F290 HydrophobicContact SD-CE1 3.42Å; M160-F290 WeakPolarHBondContact SD-CE1 3.22Å; M160-F290 HydrophobicContact SD-CZ 4.46Å |
| 161 | L | 92.2 | Very high | 89.8 | Confident | 42 Ų | 42 | 16.2 Ų | 16.2 | 22% | 0.22 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -67.8 | -41.5 | 177.6 | -70.2 | 173.4 | 0 | 0 | 0 | 112 | F157 S158 T164 C165 V198 V201 P253 | F157-L161 WeakPolarHBondContact O-CB 3.13Å; F157-L161 VanDerWaalsContact O-CG 3.25Å; F157-L161 WeakPolarHBondContact O-CG 3.48Å; F157-L161 PolarHBondContact O-N 2.83Å; S158-L161 PolarHBondContact O-N 2.96Å; L161-T164 WeakPolarHBondContact O-CB 3.38Å; L161-T164 PolarHBondContact O-N 3.07Å; L161-C165 PolarHBondContact O-N 3.28Å; L161-C165 PolarHBondContact O-SG 3.22Å; L161-V198 HydrophobicContact CB-CG1 3.72Å; L161-V198 HydrophobicContact CB-CG2 4.05Å; L161-V198 HydrophobicContact CD1-CG1 4.15Å; L161-V201 HydrophobicContact CD1-CB 4.33Å; L161-V201 HydrophobicContact CD1-CG1 3.91Å; L161-P253 HydrophobicContact CD2-CG 4.31Å |
| 162 | L | 92.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 176.1 | -73.2 | 169.4 | 0 | 0 | 0 | 111.6 | Y112 N115 L116 S158 S159 T164 C165 I166 V198 | Y112-L162 HydrophobicContact CD1-CD2 3.89Å; Y112-L162 HydrophobicContact CG-CD2 4.39Å; N115-L162 HydrophobicContact CB-CD1 3.85Å; N115-L162 HydrophobicContact CB-CD2 4.14Å; L116-L162 HydrophobicContact CB-CD1 4.16Å; L116-L162 HydrophobicContact CD1-CD1 4.35Å; S158-L162 VanDerWaalsContact O-CB 3.26Å; S158-L162 WeakPolarHBondContact O-CB 3.23Å; S158-L162 WeakPolarHBondContact O-CD1 3.27Å; S158-L162 WeakPolarHBondContact O-CG 3.42Å; S158-L162 PolarHBondContact O-N 3.49Å; S159-L162 PolarHBondContact O-N 3.24Å; L162-T164 VanDerWaalsContact C-N 3.28Å; L162-T164 PolarHBondContact O-N 3.06Å; L162-C165 WeakPolarHBondContact O-CB 3.49Å; L162-C165 PolarHBondContact O-N 2.84Å; L162-I166 VanDerWaalsContact O-CG1 3.27Å; L162-I166 WeakPolarHBondContact O-CG1 3.38Å; L162-I166 PolarHBondContact O-N 3.03Å; L162-V198 HydrophobicContact CD2-CG1 4.38Å; L162-V198 HydrophobicContact CG-CG1 4.11Å |
| 163 | L | 89.4 | Confident | 88.5 | Confident | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.9 | -37.2 | 174.4 | -72.6 | 173.8 | 0 | 0 | 0 | 112 | S159 I166 S167 M257 V286 V287 F290 | S159-L163 WeakPolarHBondContact O-CB 3.44Å; S159-L163 VanDerWaalsContact O-CG 3.25Å; S159-L163 WeakPolarHBondContact O-CG 3.49Å; S159-L163 PolarHBondContact O-N 2.99Å; L163-I166 HydrophobicContact CD2-CD1 4.41Å; L163-I166 PolarHBondContact O-N 3.44Å; L163-S167 WeakPolarHBondContact O-CB 3.37Å; L163-S167 PolarHBondContact O-N 2.69Å; L163-S167 PolarHBondContact O-OG 3.38Å; L163-M257 HydrophobicContact CB-SD 4.18Å; L163-V286 HydrophobicContact CD1-CG1 4.48Å; L163-V286 HydrophobicContact CD2-CG1 3.67Å; L163-V287 HydrophobicContact CB-CG2 4.4Å; L163-V287 HydrophobicContact CD2-CG2 4.39Å; L163-F290 HydrophobicContact CD1-CB 4.04Å; L163-F290 HydrophobicContact CD1-CD1 4.2Å; L163-F290 HydrophobicContact CD1-CD2 4.15Å; L163-F290 HydrophobicContact CD1-CG 3.86Å |
| 164 | T | 90.1 | Very high | 87.8 | Confident | 16 Ų | 16 | 18.8 Ų | 18.8 | 10% | 0.098 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.8 | -46 | 173.4 | -56.4 | 0 | 0 | 0 | 0 | 111.1 | M160 L161 L162 I166 S167 V168 P253 V256 M257 | M160-T164 PolarHBondContact O-N 3.28Å; M160-T164 PolarHBondContact O-OG1 3Å; L161-T164 WeakPolarHBondContact O-CB 3.38Å; L161-T164 PolarHBondContact O-N 3.07Å; L162-T164 VanDerWaalsContact C-N 3.28Å; L162-T164 PolarHBondContact O-N 3.06Å; T164-I166 VanDerWaalsContact C-N 3.32Å; T164-I166 PolarHBondContact O-N 3.03Å; T164-S167 WeakPolarHBondContact O-CB 3.31Å; T164-S167 PolarHBondContact O-N 3.41Å; T164-S167 VanDerWaalsContact O-N 3.12Å; T164-V168 WeakPolarHBondContact O-CG2 3.44Å; T164-V168 PolarHBondContact O-N 3Å; T164-P253 WeakPolarHBondContact OG1-CB 3.31Å; T164-V256 HydrophobicContact CG2-CB 3.92Å; T164-V256 HydrophobicContact CG2-CG1 3.55Å; T164-M257 HydrophobicContact CG2-CG 4.38Å |
| 165 | C | 90.3 | Very high | 86.9 | Confident | 28 Ų | 28 | 20.1 Ų | 20.1 | 19% | 0.189 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.1 | -39.7 | 175.1 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | Y112 L161 L162 V168 D169 | Y112-C165 HydrophobicContact CD2-CB 4.14Å; Y112-C165 HydrophobicContact CE1-CB 4.3Å; Y112-C165 HydrophobicContact CE2-CB 3.82Å; L161-C165 PolarHBondContact O-N 3.28Å; L161-C165 PolarHBondContact O-SG 3.22Å; L162-C165 WeakPolarHBondContact O-CB 3.49Å; L162-C165 PolarHBondContact O-N 2.84Å; C165-V168 PolarHBondContact O-N 3.3Å; C165-D169 WeakPolarHBondContact O-CB 2.87Å; C165-D169 PolarHBondContact O-N 2.89Å |
| 166 | I | 88.2 | Confident | 85.8 | Confident | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.015 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.6 | -45.4 | 174 | -68.5 | 164.5 | 0 | 0 | 0 | 110.2 | T109 Y112 L113 L162 L163 T164 V168 D169 R170 I283 | T109-I166 HydrophobicContact CG2-CG1 4.38Å; T109-I166 HydrophobicContact CG2-CG2 4.05Å; Y112-I166 HydrophobicContact CD2-CG1 3.81Å; Y112-I166 HydrophobicContact CG-CG1 4.14Å; L113-I166 HydrophobicContact CD2-CD1 4.09Å; L113-I166 HydrophobicContact CG-CD1 4.41Å; L162-I166 VanDerWaalsContact O-CG1 3.27Å; L162-I166 WeakPolarHBondContact O-CG1 3.38Å; L162-I166 PolarHBondContact O-N 3.03Å; L163-I166 HydrophobicContact CD2-CD1 4.41Å; L163-I166 PolarHBondContact O-N 3.44Å; T164-I166 VanDerWaalsContact C-N 3.32Å; T164-I166 PolarHBondContact O-N 3.03Å; I166-V168 PolarHBondContact O-N 3.42Å; I166-D169 PolarHBondContact O-N 3.28Å; I166-R170 WeakPolarHBondContact O-CG 2.97Å; I166-R170 PolarHBondContact O-N 3.21Å; I166-I283 HydrophobicContact CG2-CD1 3.85Å; I166-I283 HydrophobicContact CG2-CG1 4.3Å; I166-I283 HydrophobicContact CG2-CG2 3.79Å |
| 167 | S | 86.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 179.3 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | L163 T164 R170 Y171 Y261 | L163-S167 WeakPolarHBondContact O-CB 3.37Å; L163-S167 PolarHBondContact O-N 2.69Å; L163-S167 PolarHBondContact O-OG 3.38Å; T164-S167 WeakPolarHBondContact O-CB 3.31Å; T164-S167 PolarHBondContact O-N 3.41Å; T164-S167 VanDerWaalsContact O-N 3.12Å; S167-R170 PolarHBondContact O-N 2.92Å; S167-Y171 PolarHBondContact O-N 3.02Å; S167-Y261 WeakPolarHBondContact OG-CE2 3.39Å; S167-Y261 VanDerWaalsContact OG-CZ 3.31Å; S167-Y261 PolarHBondContact OG-OH 2.91Å |
| 168 | V | 85.8 | Confident | 83 | Confident | 49 Ų | 49 | 30.9 Ų | 30.9 | 30% | 0.297 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -65.4 | -42.2 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | T164 C165 I166 R170 Y171 I172 V256 | T164-V168 WeakPolarHBondContact O-CG2 3.44Å; T164-V168 PolarHBondContact O-N 3Å; C165-V168 PolarHBondContact O-N 3.3Å; I166-V168 PolarHBondContact O-N 3.42Å; V168-R170 VanDerWaalsContact C-N 3.33Å; V168-R170 PolarHBondContact O-N 3.36Å; V168-Y171 WeakPolarHBondContact O-CB 3.28Å; V168-Y171 PolarHBondContact O-N 3.29Å; V168-I172 HydrophobicContact CG1-CD1 3.89Å; V168-I172 HydrophobicContact CG1-CG1 4.44Å; V168-I172 WeakPolarHBondContact O-CG1 3.41Å; V168-I172 PolarHBondContact O-N 3.42Å; V168-V256 HydrophobicContact CG2-CG1 4.15Å |
| 169 | D | 84.5 | Confident | 81.4 | Confident | 8 Ų | 8 | 37.4 Ų | 37.4 | 4% | 0.043 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.5 | -41 | 177.3 | 177.6 | 72.5 | 0 | 0 | 0 | 111.8 | M108 T109 Y112 C165 I166 I172 A173 R187 | M108-D169 WeakPolarHBondContact CB-OD1 3.18Å; M108-D169 WeakPolarHBondContact CG-OD1 3.44Å; T109-D169 PolarHBondContact OG1-OD2 3.12Å; Y112-D169 HydrophobicContact CE2-CB 4.48Å; C165-D169 WeakPolarHBondContact O-CB 2.87Å; C165-D169 PolarHBondContact O-N 2.89Å; I166-D169 PolarHBondContact O-N 3.28Å; D169-I172 PolarHBondContact O-N 2.9Å; D169-A173 VanDerWaalsContact O-CB 3.31Å; D169-A173 WeakPolarHBondContact O-CB 3.47Å; D169-A173 PolarHBondContact O-N 3.07Å; D169-R187 IonicContact OD1-CZ 3.83Å; D169-R187 IonicContact OD1-NH2 2.59Å; D169-R187 PolarHBondContact OD1-NH2 2.9Å |
| 170 | R | 83.4 | Confident | 79.8 | Confident | 37 Ų | 37 | 37.8 Ų | 37.8 | 14% | 0.14 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 174.1 | -69.1 | -56 | 91 | -165.5 | 7.5 | 112 | T109 I166 S167 V168 I172 A173 I174 I264 L280 I283 | T109-R170 PolarHBondContact OG1-NH2 3.33Å; I166-R170 WeakPolarHBondContact O-CG 2.97Å; I166-R170 PolarHBondContact O-N 3.21Å; S167-R170 PolarHBondContact O-N 2.92Å; V168-R170 VanDerWaalsContact C-N 3.33Å; V168-R170 PolarHBondContact O-N 3.36Å; R170-I172 PolarHBondContact O-N 3.26Å; R170-A173 PolarHBondContact O-N 3.04Å; R170-I174 WeakPolarHBondContact O-CG1 3.35Å; R170-I174 PolarHBondContact O-N 3.49Å; R170-I264 HydrophobicContact CB-CD1 4.29Å; R170-L280 HydrophobicContact CB-CD2 4.05Å; R170-L280 HydrophobicContact CG-CD2 4.02Å; R170-I283 HydrophobicContact CG-CD1 3.57Å |
| 171 | Y | 83.1 | Confident | 78.3 | Confident | 52 Ų | 52 | 42.9 Ų | 42.9 | 20% | 0.204 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.1 | -51.4 | 175 | 166.7 | -104.4 | 0 | 0 | 0 | 111.4 | S167 V168 A173 I174 V175 V263 I264 | S167-Y171 PolarHBondContact O-N 3.02Å; V168-Y171 WeakPolarHBondContact O-CB 3.28Å; V168-Y171 PolarHBondContact O-N 3.29Å; Y171-A173 VanDerWaalsContact C-N 3.33Å; Y171-A173 PolarHBondContact O-N 2.85Å; Y171-I174 PolarHBondContact O-N 3Å; Y171-V175 HydrophobicContact CD2-CB 4.18Å; Y171-V175 HydrophobicContact CD2-CG2 3.7Å; Y171-V175 HydrophobicContact CE2-CB 3.88Å; Y171-V175 HydrophobicContact CE2-CG1 4.02Å; Y171-V175 HydrophobicContact CE2-CG2 3.66Å; Y171-V175 WeakPolarHBondContact O-CB 3.48Å; Y171-V175 PolarHBondContact O-N 2.78Å; Y171-V263 HydrophobicContact CD2-CB 4.36Å; Y171-V263 HydrophobicContact CD2-CG1 4.24Å; Y171-V263 HydrophobicContact CE2-CB 4.09Å; Y171-V263 HydrophobicContact CE2-CG1 3.63Å; Y171-I264 HydrophobicContact CD2-CG1 4.37Å |
| 172 | I | 80.5 | Confident | 76.6 | Confident | 54 Ų | 54 | 47.8 Ų | 47.8 | 28% | 0.277 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 179 | -64.8 | 168.7 | 0 | 0 | 0 | 110.9 | V168 D169 R170 I174 Q176 | V168-I172 HydrophobicContact CG1-CD1 3.89Å; V168-I172 HydrophobicContact CG1-CG1 4.44Å; V168-I172 WeakPolarHBondContact O-CG1 3.41Å; V168-I172 PolarHBondContact O-N 3.42Å; D169-I172 PolarHBondContact O-N 2.9Å; R170-I172 PolarHBondContact O-N 3.26Å; I172-I174 VanDerWaalsContact C-N 3.33Å; I172-I174 PolarHBondContact O-N 3.09Å; I172-Q176 HydrophobicContact CG2-CB 4.37Å; I172-Q176 CarbonylContact O-C 3.49Å; I172-Q176 VanDerWaalsContact O-C 3.32Å; I172-Q176 WeakPolarHBondContact O-CA 3.38Å; I172-Q176 WeakPolarHBondContact O-CB 3.08Å; I172-Q176 PolarHBondContact O-N 2.72Å |
| 173 | A | 77 | Confident | 75.3 | Confident | 27 Ų | 27 | 52.6 Ų | 52.6 | 22% | 0.223 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -34.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | D169 R170 Y171 | D169-A173 VanDerWaalsContact O-CB 3.31Å; D169-A173 WeakPolarHBondContact O-CB 3.47Å; D169-A173 PolarHBondContact O-N 3.07Å; R170-A173 PolarHBondContact O-N 3.04Å; Y171-A173 VanDerWaalsContact C-N 3.33Å; Y171-A173 PolarHBondContact O-N 2.85Å |
| 174 | I | 75.6 | Confident | 74.1 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 20% | 0.195 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -91.5 | -45.1 | -175.5 | -64.5 | 165.8 | 0 | 0 | 0 | 111.4 | R170 Y171 I172 V177 I264 T267 L268 L280 | R170-I174 WeakPolarHBondContact O-CG1 3.35Å; R170-I174 PolarHBondContact O-N 3.49Å; Y171-I174 PolarHBondContact O-N 3Å; I172-I174 VanDerWaalsContact C-N 3.33Å; I172-I174 PolarHBondContact O-N 3.09Å; I174-V177 WeakPolarHBondContact O-CG2 3.29Å; I174-I264 HydrophobicContact CD1-CG2 4.16Å; I174-T267 HydrophobicContact CG2-CG2 4.46Å; I174-L268 HydrophobicContact CG2-CD2 4.42Å; I174-L280 HydrophobicContact CD1-CD1 3.65Å; I174-L280 HydrophobicContact CD1-CD2 3.98Å; I174-L280 HydrophobicContact CD1-CG 4.29Å |
| 175 | V | 73.8 | Confident | 72.9 | Confident | 54 Ų | 54 | 67.4 Ų | 67.4 | 33% | 0.327 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -88.2 | -27.2 | -173.2 | -177 | 0 | 0 | 0 | 0 | 111.6 | Y171 T267 | Y171-V175 HydrophobicContact CD2-CB 4.18Å; Y171-V175 HydrophobicContact CD2-CG2 3.7Å; Y171-V175 HydrophobicContact CE2-CB 3.88Å; Y171-V175 HydrophobicContact CE2-CG1 4.02Å; Y171-V175 HydrophobicContact CE2-CG2 3.66Å; Y171-V175 WeakPolarHBondContact O-CB 3.48Å; Y171-V175 PolarHBondContact O-N 2.78Å; V175-T267 HydrophobicContact CG2-CG2 4.43Å |
| 176 | Q | 70.1 | Confident | 72 | Confident | 66 Ų | 66 | 72.2 Ų | 72.2 | 31% | 0.308 | 36% | 0.355 | S | S | . | . | trans | -122 | 51.4 | -175.8 | -58.1 | -174.4 | -1.1 | 0 | 0 | 112.5 | I172 T178 K179 A180 | I172-Q176 HydrophobicContact CG2-CB 4.37Å; I172-Q176 CarbonylContact O-C 3.49Å; I172-Q176 VanDerWaalsContact O-C 3.32Å; I172-Q176 WeakPolarHBondContact O-CA 3.38Å; I172-Q176 WeakPolarHBondContact O-CB 3.08Å; I172-Q176 PolarHBondContact O-N 2.72Å; Q176-T178 VanDerWaalsContact C-N 3.28Å; Q176-T178 PolarHBondContact O-N 3.4Å; Q176-T178 VanDerWaalsContact O-N 3.15Å; Q176-K179 HydrophobicContact CB-CB 4.5Å; Q176-K179 PolarHBondContact O-N 3.3Å; Q176-K179 VanDerWaalsContact O-N 3.11Å; Q176-A180 PolarHBondContact O-N 3.15Å; Q176-A180 VanDerWaalsContact O-N 3.15Å | ||
| 177 | V | 66.6 | Low | 71.4 | Confident | 49 Ų | 49 | 74.2 Ų | 74.2 | 30% | 0.297 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -51.3 | -40.8 | -173.5 | -174.8 | 0 | 0 | 0 | 0 | 113.4 | I174 A180 Q181 L391 | I174-V177 WeakPolarHBondContact O-CG2 3.29Å; V177-A180 PolarHBondContact O-N 3.26Å; V177-Q181 PolarHBondContact O-N 3.45Å; V177-L391 HydrophobicContact CG1-CD1 4.34Å |
| 178 | T | 57.8 | Low | 71 | Confident | 122 Ų | 122 | 76.7 Ų | 76.7 | 75% | 0.748 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -68 | -38 | -179.6 | 23.9 | 0 | 0 | 0 | 0 | 113.6 | Q176 | Q176-T178 VanDerWaalsContact C-N 3.28Å; Q176-T178 PolarHBondContact O-N 3.4Å; Q176-T178 VanDerWaalsContact O-N 3.15Å |
| 179 | K | 58.8 | Low | 70.9 | Confident | 136 Ų | 136 | 81.1 Ų | 81.1 | 59% | 0.591 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -72.3 | -32.6 | 174.2 | -73.8 | -176 | 178.8 | 177.6 | 0 | 111.8 | Q176 Q181 F183 | Q176-K179 HydrophobicContact CB-CB 4.5Å; Q176-K179 PolarHBondContact O-N 3.3Å; Q176-K179 VanDerWaalsContact O-N 3.11Å; K179-Q181 PolarHBondContact O-N 2.87Å; K179-F183 WeakPolarHBondContact O-CD2 3.22Å |
| 180 | A | 59.5 | Low | 70.9 | Confident | 9 Ų | 9 | 87 Ų | 87 | 7% | 0.074 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -66.6 | -32.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q176 V177 R187 | Q176-A180 PolarHBondContact O-N 3.15Å; Q176-A180 VanDerWaalsContact O-N 3.15Å; V177-A180 PolarHBondContact O-N 3.26Å; A180-R187 VanDerWaalsContact CB-NH1 3.34Å; A180-R187 PolarHBondContact O-NH1 3.49Å |
| 181 | Q | 58.6 | Low | 71.1 | Confident | 108 Ų | 108 | 85.2 Ų | 85.2 | 51% | 0.505 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -82.7 | -39 | -176 | -68.9 | -166.3 | -9.6 | 0 | 0 | 114 | V177 K179 F183 | V177-Q181 PolarHBondContact O-N 3.45Å; K179-Q181 PolarHBondContact O-N 2.87Å; Q181-F183 VanDerWaalsContact C-N 3.28Å; Q181-F183 PolarHBondContact O-N 2.89Å |
| 182 | N | 58.2 | Low | 71.3 | Confident | 145 Ų | 145 | 88.2 Ų | 88.2 | 78% | 0.775 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -68.6 | -21.8 | -178.5 | -91 | -5.8 | 0 | 0 | 0 | 114.3 | ||
| 183 | F | 63.1 | Low | 71.8 | Confident | 102 Ų | 102 | 89.7 Ų | 89.7 | 45% | 0.447 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.6 | 12.3 | -173.5 | -70.6 | -84.6 | 0 | 0 | 0 | 114.9 | K179 Q181 K185 K186 R187 | K179-F183 WeakPolarHBondContact O-CD2 3.22Å; Q181-F183 VanDerWaalsContact C-N 3.28Å; Q181-F183 PolarHBondContact O-N 2.89Å; F183-K185 PolarHBondContact O-N 3.46Å; F183-K185 VanDerWaalsContact O-N 3.09Å; F183-K186 HydrophobicContact CD1-CB 4.28Å; F183-K186 HydrophobicContact CD1-CD 3.87Å; F183-K186 HydrophobicContact CE1-CD 4.21Å; F183-K186 CarbonylContact O-C 3.56Å; F183-K186 PolarHBondContact O-N 3.04Å; F183-R187 HydrophobicContact CB-CG 3.98Å; F183-R187 WeakPolarHBondContact O-CB 3.45Å; F183-R187 VanDerWaalsContact O-CG 3.31Å; F183-R187 WeakPolarHBondContact O-CG 3.34Å; F183-R187 PolarHBondContact O-N 2.95Å |
| 184 | K | 64.9 | Low | 72.6 | Confident | 131 Ų | 131 | 90.7 Ų | 90.7 | 57% | 0.57 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -46.9 | -45.4 | -171.2 | -79.8 | -178.3 | 177.3 | 177.5 | 0 | 115.8 | ||
| 185 | K | 64.7 | Low | 73.4 | Confident | 198 Ų | 198 | 89.1 Ų | 89.1 | 86% | 0.861 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -72.9 | -41.3 | 177.6 | -76.7 | -175 | 178.6 | 179.1 | 0 | 113 | F183 R187 L188 F189 | F183-K185 PolarHBondContact O-N 3.46Å; F183-K185 VanDerWaalsContact O-N 3.09Å; K185-R187 VanDerWaalsContact C-N 3.29Å; K185-R187 PolarHBondContact O-N 3.49Å; K185-L188 PolarHBondContact O-N 3.23Å; K185-F189 PolarHBondContact O-N 2.97Å |
| 186 | K | 72.6 | Confident | 74.4 | Confident | 128 Ų | 128 | 91.4 Ų | 91.4 | 56% | 0.557 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.8 | -33 | 176.1 | -74.4 | -175.7 | 174.2 | -178.1 | 0 | 111.7 | F183 F189 Y190 | F183-K186 HydrophobicContact CD1-CB 4.28Å; F183-K186 HydrophobicContact CD1-CD 3.87Å; F183-K186 HydrophobicContact CE1-CD 4.21Å; F183-K186 CarbonylContact O-C 3.56Å; F183-K186 PolarHBondContact O-N 3.04Å; K186-F189 WeakPolarHBondContact O-CA 3.28Å; K186-F189 PolarHBondContact O-N 3.15Å; K186-Y190 HydrophobicContact CB-CD2 4.43Å; K186-Y190 HydrophobicContact CB-CE2 4.08Å; K186-Y190 WeakPolarHBondContact O-CD2 3.47Å; K186-Y190 PolarHBondContact O-N 3.41Å |
| 187 | R | 74.7 | Confident | 75.6 | Confident | 45 Ų | 45 | 91.5 Ų | 91.5 | 17% | 0.17 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -58.4 | -53.2 | 175.4 | -76.6 | -179.5 | 73.7 | -172.5 | 5.1 | 110.5 | M108 D169 A180 F183 K185 F189 Y190 S191 | M108-R187 HydrophobicContact CE-CB 3.73Å; M108-R187 HydrophobicContact CE-CG 4.38Å; M108-R187 WeakPolarHBondContact CE-O 3.21Å; M108-R187 HydrophobicContact CG-CB 4.35Å; M108-R187 HydrophobicContact SD-CB 3.66Å; D169-R187 IonicContact OD1-CZ 3.83Å; D169-R187 IonicContact OD1-NH2 2.59Å; D169-R187 PolarHBondContact OD1-NH2 2.9Å; A180-R187 VanDerWaalsContact CB-NH1 3.34Å; A180-R187 PolarHBondContact O-NH1 3.49Å; F183-R187 HydrophobicContact CB-CG 3.98Å; F183-R187 WeakPolarHBondContact O-CB 3.45Å; F183-R187 VanDerWaalsContact O-CG 3.31Å; F183-R187 WeakPolarHBondContact O-CG 3.34Å; F183-R187 PolarHBondContact O-N 2.95Å; K185-R187 VanDerWaalsContact C-N 3.29Å; K185-R187 PolarHBondContact O-N 3.49Å; R187-F189 CarbonylContact O-C 3.32Å; R187-F189 PolarHBondContact O-N 3.38Å; R187-F189 VanDerWaalsContact O-N 3.15Å; R187-Y190 CarbonylContact O-C 3.58Å; R187-Y190 WeakPolarHBondContact O-CA 3.29Å; R187-Y190 PolarHBondContact O-N 3.35Å; R187-S191 PolarHBondContact O-N 3.47Å |
| 188 | L | 78.6 | Confident | 76.9 | Confident | 53 Ų | 53 | 89.7 Ų | 89.7 | 28% | 0.277 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -54.8 | -41.2 | 178.6 | -161.1 | 98.2 | 0 | 0 | 0 | 112.1 | V111 K185 S191 K192 | V111-L188 HydrophobicContact CG2-CD1 4.37Å; K185-L188 PolarHBondContact O-N 3.23Å; L188-S191 PolarHBondContact O-N 3.26Å; L188-S191 PolarHBondContact O-OG 3.24Å; L188-K192 PolarHBondContact O-N 3.36Å |
| 189 | F | 82.8 | Confident | 78.7 | Confident | 142 Ų | 142 | 86.4 Ų | 86.4 | 62% | 0.623 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -27.6 | -78.1 | 155.8 | 176.5 | -25.5 | 0 | 0 | 0 | 114.2 | K185 K186 R187 S191 K192 L193 | K185-F189 PolarHBondContact O-N 2.97Å; K186-F189 WeakPolarHBondContact O-CA 3.28Å; K186-F189 PolarHBondContact O-N 3.15Å; R187-F189 CarbonylContact O-C 3.32Å; R187-F189 PolarHBondContact O-N 3.38Å; R187-F189 VanDerWaalsContact O-N 3.15Å; F189-S191 VanDerWaalsContact C-N 3.3Å; F189-S191 PolarHBondContact O-N 2.93Å; F189-K192 PolarHBondContact O-N 3.18Å; F189-L193 PolarHBondContact O-N 3.5Å |
| 190 | Y | 85.2 | Confident | 80.5 | Confident | 130 Ų | 130 | 83 Ų | 83 | 51% | 0.51 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.9 | -33 | -177.4 | -67.2 | -66.3 | 0 | 0 | 0 | 113.5 | K186 R187 K192 L193 V194 | K186-Y190 HydrophobicContact CB-CD2 4.43Å; K186-Y190 HydrophobicContact CB-CE2 4.08Å; K186-Y190 WeakPolarHBondContact O-CD2 3.47Å; K186-Y190 PolarHBondContact O-N 3.41Å; R187-Y190 CarbonylContact O-C 3.58Å; R187-Y190 WeakPolarHBondContact O-CA 3.29Å; R187-Y190 PolarHBondContact O-N 3.35Å; Y190-K192 VanDerWaalsContact C-N 3.3Å; Y190-K192 PolarHBondContact O-N 3.34Å; Y190-L193 PolarHBondContact O-N 3.42Å; Y190-V194 WeakPolarHBondContact O-CB 3.27Å; Y190-V194 VanDerWaalsContact O-CG2 3.25Å; Y190-V194 WeakPolarHBondContact O-CG2 3.39Å; Y190-V194 PolarHBondContact O-N 2.93Å |
| 191 | S | 86.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 178.6 | 54.1 | 0 | 0 | 0 | 0 | 112.6 | M108 R187 L188 F189 V194 C195 | M108-S191 WeakPolarHBondContact SD-CB 3.47Å; M108-S191 PolarHBondContact SD-OG 3.47Å; R187-S191 PolarHBondContact O-N 3.47Å; L188-S191 PolarHBondContact O-N 3.26Å; L188-S191 PolarHBondContact O-OG 3.24Å; F189-S191 VanDerWaalsContact C-N 3.3Å; F189-S191 PolarHBondContact O-N 2.93Å; S191-V194 PolarHBondContact O-N 3.46Å; S191-C195 PolarHBondContact O-N 3.37Å; S191-C195 PolarHBondContact O-SG 3.27Å |
| 192 | K | 88.4 | Confident | 83.7 | Confident | 116 Ų | 116 | 80.6 Ų | 80.6 | 50% | 0.504 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 177.7 | -65.7 | -177.1 | 178.5 | -173.1 | 0 | 111 | L188 F189 Y190 V194 C195 I196 | L188-K192 PolarHBondContact O-N 3.36Å; F189-K192 PolarHBondContact O-N 3.18Å; Y190-K192 VanDerWaalsContact C-N 3.3Å; Y190-K192 PolarHBondContact O-N 3.34Å; K192-V194 PolarHBondContact O-N 3.42Å; K192-C195 WeakPolarHBondContact O-CB 3.04Å; K192-C195 PolarHBondContact O-N 2.89Å; K192-I196 WeakPolarHBondContact O-CG1 3.28Å; K192-I196 PolarHBondContact O-N 3.25Å |
| 193 | L | 90.9 | Very high | 85.4 | Confident | 85 Ų | 85 | 77.6 Ų | 77.6 | 45% | 0.445 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 176 | -176.4 | 61.6 | 0 | 0 | 0 | 111.5 | F189 Y190 C195 I196 C197 | F189-L193 PolarHBondContact O-N 3.5Å; Y190-L193 PolarHBondContact O-N 3.42Å; L193-C195 VanDerWaalsContact C-N 3.32Å; L193-C195 PolarHBondContact O-N 3.37Å; L193-I196 WeakPolarHBondContact O-CB 3.33Å; L193-I196 PolarHBondContact O-N 2.97Å; L193-C197 PolarHBondContact O-N 3.22Å; L193-C197 PolarHBondContact O-SG 3.08Å |
| 194 | V | 92.5 | Very high | 86.7 | Confident | 47 Ų | 47 | 77.8 Ų | 77.8 | 29% | 0.285 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60 | -42.3 | 175.4 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | Y112 Y190 S191 K192 I196 C197 V198 | Y112-V194 HydrophobicContact CE1-CB 4.35Å; Y112-V194 HydrophobicContact CE1-CG1 4.01Å; Y190-V194 WeakPolarHBondContact O-CB 3.27Å; Y190-V194 VanDerWaalsContact O-CG2 3.25Å; Y190-V194 WeakPolarHBondContact O-CG2 3.39Å; Y190-V194 PolarHBondContact O-N 2.93Å; S191-V194 PolarHBondContact O-N 3.46Å; K192-V194 PolarHBondContact O-N 3.42Å; V194-I196 VanDerWaalsContact C-N 3.35Å; V194-I196 PolarHBondContact O-N 2.89Å; V194-C197 WeakPolarHBondContact O-CB 3.48Å; V194-C197 PolarHBondContact O-N 3.2Å; V194-V198 HydrophobicContact CG1-CG2 4.3Å; V194-V198 VanDerWaalsContact O-CG2 3.31Å; V194-V198 WeakPolarHBondContact O-CG2 3.35Å; V194-V198 PolarHBondContact O-N 3.41Å |
| 195 | C | 93.3 | Very high | 87.8 | Confident | 5 Ų | 5 | 73.4 Ų | 73.4 | 3% | 0.034 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 175.9 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | Y112 N115 S191 K192 L193 C197 V198 W199 | Y112-C195 VanDerWaalsContact CD1-SG 3.5Å; N115-C195 PolarHBondContact ND2-SG 3.08Å; N115-C195 VanDerWaalsContact ND2-SG 3.41Å; S191-C195 PolarHBondContact O-N 3.37Å; S191-C195 PolarHBondContact O-SG 3.27Å; K192-C195 WeakPolarHBondContact O-CB 3.04Å; K192-C195 PolarHBondContact O-N 2.89Å; L193-C195 VanDerWaalsContact C-N 3.32Å; L193-C195 PolarHBondContact O-N 3.37Å; C195-C197 VanDerWaalsContact C-N 3.33Å; C195-C197 PolarHBondContact O-N 3.44Å; C195-V198 PolarHBondContact O-N 3.19Å; C195-W199 PolarHBondContact O-N 3.36Å |
| 196 | I | 94.4 | Very high | 89 | Confident | 103 Ų | 103 | 64.1 Ų | 64.1 | 53% | 0.528 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 176.2 | -65.8 | 165.1 | 0 | 0 | 0 | 110.1 | K192 L193 V194 V198 W199 C200 | K192-I196 WeakPolarHBondContact O-CG1 3.28Å; K192-I196 PolarHBondContact O-N 3.25Å; L193-I196 WeakPolarHBondContact O-CB 3.33Å; L193-I196 PolarHBondContact O-N 2.97Å; V194-I196 VanDerWaalsContact C-N 3.35Å; V194-I196 PolarHBondContact O-N 2.89Å; I196-V198 VanDerWaalsContact C-N 3.34Å; I196-V198 PolarHBondContact O-N 2.91Å; I196-W199 PolarHBondContact O-N 2.88Å; I196-C200 PolarHBondContact O-N 3.02Å; I196-C200 PolarHBondContact O-SG 3.47Å |
| 197 | C | 94.7 | Very high | 89.6 | Confident | 67 Ų | 67 | 61.9 Ų | 61.9 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 175.8 | -64.9 | 0 | 0 | 0 | 0 | 112.1 | L193 V194 C195 W199 C200 V201 | L193-C197 PolarHBondContact O-N 3.22Å; L193-C197 PolarHBondContact O-SG 3.08Å; V194-C197 WeakPolarHBondContact O-CB 3.48Å; V194-C197 PolarHBondContact O-N 3.2Å; C195-C197 VanDerWaalsContact C-N 3.33Å; C195-C197 PolarHBondContact O-N 3.44Å; C197-W199 PolarHBondContact O-N 3.32Å; C197-C200 PolarHBondContact O-N 3.38Å; C197-V201 WeakPolarHBondContact O-CB 3.42Å; C197-V201 VanDerWaalsContact O-CG2 3.27Å; C197-V201 WeakPolarHBondContact O-CG2 3.41Å; C197-V201 PolarHBondContact O-N 2.76Å |
| 198 | V | 94.7 | Very high | 90 | Very high | 11 Ų | 11 | 61.1 Ų | 61.1 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 177.5 | 168 | 0 | 0 | 0 | 0 | 111 | L161 L162 V194 C195 I196 V201 S202 | L161-V198 HydrophobicContact CB-CG1 3.72Å; L161-V198 HydrophobicContact CB-CG2 4.05Å; L161-V198 HydrophobicContact CD1-CG1 4.15Å; L162-V198 HydrophobicContact CD2-CG1 4.38Å; L162-V198 HydrophobicContact CG-CG1 4.11Å; V194-V198 HydrophobicContact CG1-CG2 4.3Å; V194-V198 VanDerWaalsContact O-CG2 3.31Å; V194-V198 WeakPolarHBondContact O-CG2 3.35Å; V194-V198 PolarHBondContact O-N 3.41Å; C195-V198 PolarHBondContact O-N 3.19Å; I196-V198 VanDerWaalsContact C-N 3.34Å; I196-V198 PolarHBondContact O-N 2.91Å; V198-V201 PolarHBondContact O-N 2.91Å; V198-S202 VanDerWaalsContact O-CB 3.28Å; V198-S202 WeakPolarHBondContact O-CB 3.31Å; V198-S202 PolarHBondContact O-N 2.99Å; V198-S202 PolarHBondContact O-OG 3.42Å |
| 199 | W | 96.1 | Very high | 90.2 | Very high | 53 Ų | 53 | 59.4 Ų | 59.4 | 20% | 0.201 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -48.8 | 175.6 | -83 | 106.6 | 0 | 0 | 0 | 111.9 | N115 V118 A119 L122 I154 C195 I196 C197 V201 S202 I203 | N115-W199 PolarHBondContact OD1-NE1 3.27Å; N115-W199 VanDerWaalsContact OD1-NE1 3.08Å; V118-W199 HydrophobicContact CG1-CZ2 4.47Å; A119-W199 HydrophobicContact CB-CH2 3.93Å; A119-W199 HydrophobicContact CB-CZ2 4.12Å; L122-W199 HydrophobicContact CD1-CH2 3.79Å; L122-W199 HydrophobicContact CD1-CZ3 4.33Å; I154-W199 HydrophobicContact CG2-CE3 4.14Å; I154-W199 HydrophobicContact CG2-CZ3 3.7Å; C195-W199 PolarHBondContact O-N 3.36Å; I196-W199 PolarHBondContact O-N 2.88Å; C197-W199 PolarHBondContact O-N 3.32Å; W199-V201 PolarHBondContact O-N 2.96Å; W199-S202 PolarHBondContact O-N 2.7Å; W199-I203 VanDerWaalsContact O-CG1 3.29Å; W199-I203 WeakPolarHBondContact O-CG1 3.25Å; W199-I203 PolarHBondContact O-N 2.77Å |
| 200 | C | 95.4 | Very high | 90.3 | Very high | 65 Ų | 65 | 57 Ų | 57 | 44% | 0.439 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.9 | -48.1 | 178 | -66.7 | 0 | 0 | 0 | 0 | 112 | I196 C197 S202 I203 I204 | I196-C200 PolarHBondContact O-N 3.02Å; I196-C200 PolarHBondContact O-SG 3.47Å; C197-C200 PolarHBondContact O-N 3.38Å; C200-S202 VanDerWaalsContact C-N 3.33Å; C200-S202 PolarHBondContact O-N 3.05Å; C200-I203 PolarHBondContact O-N 3.42Å; C200-I204 WeakPolarHBondContact O-CD1 3.45Å; C200-I204 VanDerWaalsContact O-CG1 3.25Å; C200-I204 WeakPolarHBondContact O-CG1 3.18Å; C200-I204 PolarHBondContact O-N 2.96Å |
| 201 | V | 93.1 | Very high | 90.1 | Very high | 67 Ų | 67 | 55.4 Ų | 55.4 | 41% | 0.406 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 178.4 | 172 | 0 | 0 | 0 | 0 | 110.9 | L161 C197 V198 W199 I203 I204 M205 | L161-V201 HydrophobicContact CD1-CB 4.33Å; L161-V201 HydrophobicContact CD1-CG1 3.91Å; C197-V201 WeakPolarHBondContact O-CB 3.42Å; C197-V201 VanDerWaalsContact O-CG2 3.27Å; C197-V201 WeakPolarHBondContact O-CG2 3.41Å; C197-V201 PolarHBondContact O-N 2.76Å; V198-V201 PolarHBondContact O-N 2.91Å; W199-V201 PolarHBondContact O-N 2.96Å; V201-I203 VanDerWaalsContact C-N 3.35Å; V201-I203 PolarHBondContact O-N 3.22Å; V201-I204 PolarHBondContact O-N 2.9Å; V201-M205 HydrophobicContact CG1-CG 4.19Å; V201-M205 WeakPolarHBondContact O-CB 3.36Å; V201-M205 WeakPolarHBondContact O-CG 3.42Å; V201-M205 PolarHBondContact O-N 3.4Å |
| 202 | S | 93.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 179.6 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | S158 V198 W199 C200 M205 A206 | S158-S202 WeakPolarHBondContact CA-OG 3.41Å; S158-S202 WeakPolarHBondContact CB-OG 3.42Å; S158-S202 PolarHBondContact N-OG 3.27Å; S158-S202 VanDerWaalsContact N-OG 3.15Å; V198-S202 VanDerWaalsContact O-CB 3.28Å; V198-S202 WeakPolarHBondContact O-CB 3.31Å; V198-S202 PolarHBondContact O-N 2.99Å; V198-S202 PolarHBondContact O-OG 3.42Å; W199-S202 PolarHBondContact O-N 2.7Å; C200-S202 VanDerWaalsContact C-N 3.33Å; C200-S202 PolarHBondContact O-N 3.05Å; S202-M205 PolarHBondContact O-N 2.87Å; S202-A206 WeakPolarHBondContact O-CB 3.25Å; S202-A206 PolarHBondContact O-N 2.93Å |
| 203 | I | 93.1 | Very high | 89.3 | Confident | 82 Ų | 82 | 51.5 Ų | 51.5 | 42% | 0.421 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.8 | -46.8 | 175.1 | -68 | 164.9 | 0 | 0 | 0 | 110.6 | I154 W199 C200 V201 M205 A206 L207 | I154-I203 HydrophobicContact CD1-CG1 4.08Å; I154-I203 HydrophobicContact CG1-CG1 4.32Å; W199-I203 VanDerWaalsContact O-CG1 3.29Å; W199-I203 WeakPolarHBondContact O-CG1 3.25Å; W199-I203 PolarHBondContact O-N 2.77Å; C200-I203 PolarHBondContact O-N 3.42Å; V201-I203 VanDerWaalsContact C-N 3.35Å; V201-I203 PolarHBondContact O-N 3.22Å; I203-M205 VanDerWaalsContact C-N 3.32Å; I203-M205 PolarHBondContact O-N 3.03Å; I203-A206 CarbonylContact O-C 3.57Å; I203-A206 PolarHBondContact O-N 3.47Å; I203-A206 VanDerWaalsContact O-N 3.13Å; I203-L207 PolarHBondContact O-N 3.39Å; I203-L207 VanDerWaalsContact O-N 3.12Å |
| 204 | I | 91 | Very high | 88.8 | Confident | 105 Ų | 105 | 51 Ų | 51 | 54% | 0.538 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59 | -44.9 | 178.1 | -69.5 | 164.9 | 0 | 0 | 0 | 110.8 | C200 V201 A206 L207 | C200-I204 WeakPolarHBondContact O-CD1 3.45Å; C200-I204 VanDerWaalsContact O-CG1 3.25Å; C200-I204 WeakPolarHBondContact O-CG1 3.18Å; C200-I204 PolarHBondContact O-N 2.96Å; V201-I204 PolarHBondContact O-N 2.9Å; I204-A206 VanDerWaalsContact C-N 3.26Å; I204-A206 PolarHBondContact O-N 3.12Å; I204-L207 HydrophobicContact CG2-CD1 4.49Å; I204-L207 VanDerWaalsContact O-CB 3.31Å; I204-L207 WeakPolarHBondContact O-CB 3.41Å; I204-L207 WeakPolarHBondContact O-CG 3.38Å; I204-L207 PolarHBondContact O-N 3.39Å |
| 205 | M | 87.8 | Confident | 88.1 | Confident | 40 Ų | 40 | 51 Ų | 51 | 20% | 0.197 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.1 | -27 | 178.9 | -71.6 | -64.6 | -65 | 0 | 0 | 113.1 | F157 V201 S202 I203 P208 Q245 M248 | F157-M205 HydrophobicContact CD1-CB 4.37Å; F157-M205 HydrophobicContact CD2-CB 3.52Å; F157-M205 HydrophobicContact CE1-CB 4.41Å; F157-M205 HydrophobicContact CE1-CE 4.21Å; F157-M205 HydrophobicContact CE2-CB 3.56Å; F157-M205 WeakPolarHBondContact CE2-O 3.25Å; F157-M205 HydrophobicContact CG-CB 3.96Å; F157-M205 HydrophobicContact CZ-CB 4.03Å; F157-M205 HydrophobicContact CZ-CE 4.31Å; V201-M205 HydrophobicContact CG1-CG 4.19Å; V201-M205 WeakPolarHBondContact O-CB 3.36Å; V201-M205 WeakPolarHBondContact O-CG 3.42Å; V201-M205 PolarHBondContact O-N 3.4Å; S202-M205 PolarHBondContact O-N 2.87Å; I203-M205 VanDerWaalsContact C-N 3.32Å; I203-M205 PolarHBondContact O-N 3.03Å; M205-P208 VanDerWaalsContact O-CD 3.3Å; M205-P208 WeakPolarHBondContact O-CD 3.45Å; M205-Q245 PolarHBondContact O-NE2 2.99Å; M205-Q245 VanDerWaalsContact O-NE2 3.12Å; M205-M248 HydrophobicContact CE-CB 3.57Å; M205-M248 HydrophobicContact SD-CB 4.46Å |
| 206 | A | 88.8 | Confident | 87.3 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -85.1 | -8.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | K153 I154 S202 I203 I204 P208 E209 F210 | K153-A206 HydrophobicContact CB-CB 3.89Å; I154-A206 HydrophobicContact CD1-CB 4.4Å; I154-A206 HydrophobicContact CG1-CB 3.5Å; I154-A206 VanDerWaalsContact CG1-CB 3.5Å; S202-A206 WeakPolarHBondContact O-CB 3.25Å; S202-A206 PolarHBondContact O-N 2.93Å; I203-A206 CarbonylContact O-C 3.57Å; I203-A206 PolarHBondContact O-N 3.47Å; I203-A206 VanDerWaalsContact O-N 3.13Å; I204-A206 VanDerWaalsContact C-N 3.26Å; I204-A206 PolarHBondContact O-N 3.12Å; A206-P208 VanDerWaalsContact C-CD 3.45Å; A206-E209 WeakPolarHBondContact O-CA 3.44Å; A206-E209 VanDerWaalsContact O-CB 3.24Å; A206-E209 WeakPolarHBondContact O-CB 3.45Å; A206-E209 PolarHBondContact O-N 3.02Å; A206-F210 PolarHBondContact O-N 3.44Å; A206-F210 VanDerWaalsContact O-N 3.12Å |
| 207 | L | 86.4 | Confident | 86.2 | Confident | 82 Ų | 82 | 56.9 Ų | 56.9 | 43% | 0.429 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -54.9 | -42.2 | 178.2 | -72.3 | 173.1 | 0 | 0 | 0 | 114.1 | I203 I204 E209 F210 I211 | I203-L207 PolarHBondContact O-N 3.39Å; I203-L207 VanDerWaalsContact O-N 3.12Å; I204-L207 HydrophobicContact CG2-CD1 4.49Å; I204-L207 VanDerWaalsContact O-CB 3.31Å; I204-L207 WeakPolarHBondContact O-CB 3.41Å; I204-L207 WeakPolarHBondContact O-CG 3.38Å; I204-L207 PolarHBondContact O-N 3.39Å; L207-E209 PolarHBondContact O-N 3.32Å; L207-F210 WeakPolarHBondContact O-CB 3.5Å; L207-F210 PolarHBondContact O-N 3.34Å; L207-F210 VanDerWaalsContact O-N 3.15Å; L207-I211 WeakPolarHBondContact O-CG1 3.41Å; L207-I211 PolarHBondContact O-N 2.93Å |
| 208 | P | 83.4 | Confident | 84.9 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.3 | -36 | 176.7 | -20.3 | 32.8 | 0 | 0 | 0 | 112 | M205 A206 F210 I211 F212 V241 | M205-P208 VanDerWaalsContact O-CD 3.3Å; M205-P208 WeakPolarHBondContact O-CD 3.45Å; A206-P208 VanDerWaalsContact C-CD 3.45Å; P208-F210 VanDerWaalsContact C-N 3.35Å; P208-I211 PolarHBondContact O-N 3.13Å; P208-F212 HydrophobicContact CB-CD2 4.18Å; P208-F212 HydrophobicContact CB-CE2 4.25Å; P208-F212 WeakPolarHBondContact O-CB 3.41Å; P208-F212 WeakPolarHBondContact O-CD2 3.37Å; P208-F212 PolarHBondContact O-N 3.33Å; P208-V241 HydrophobicContact CB-CG1 3.46Å; P208-V241 VanDerWaalsContact CB-CG1 3.46Å; P208-V241 HydrophobicContact CG-CG1 3.98Å |
| 209 | E | 82.4 | Confident | 83.2 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 8% | 0.075 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 174.4 | -155.7 | 79.8 | 172.2 | 0 | 0 | 111 | K153 A206 L207 I211 A213 M227 | K153-E209 HydrophobicContact CB-CB 4.32Å; K153-E209 HydrophobicContact CB-CG 4.41Å; K153-E209 VanDerWaalsContact CE-OE1 3.27Å; K153-E209 WeakPolarHBondContact CE-OE1 3.4Å; K153-E209 WeakPolarHBondContact CE-OE2 3.32Å; K153-E209 HydrophobicContact CG-CB 3.81Å; K153-E209 HydrophobicContact CG-CG 3.53Å; A206-E209 WeakPolarHBondContact O-CA 3.44Å; A206-E209 VanDerWaalsContact O-CB 3.24Å; A206-E209 WeakPolarHBondContact O-CB 3.45Å; A206-E209 PolarHBondContact O-N 3.02Å; L207-E209 PolarHBondContact O-N 3.32Å; E209-I211 VanDerWaalsContact C-N 3.32Å; E209-I211 PolarHBondContact O-N 3.11Å; E209-A213 WeakPolarHBondContact O-CB 3.13Å; E209-A213 PolarHBondContact O-N 3.15Å; E209-M227 HydrophobicContact CB-CE 4.45Å; E209-M227 HydrophobicContact CG-CE 4.18Å; E209-M227 HydrophobicContact CG-SD 3.92Å; E209-M227 VanDerWaalsContact OE2-CE 3.28Å; E209-M227 WeakPolarHBondContact OE2-CE 3.44Å |
| 210 | F | 84.2 | Confident | 81.6 | Confident | 93 Ų | 93 | 62.7 Ų | 62.7 | 41% | 0.408 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.4 | -36.9 | 179.9 | -175.8 | -95.9 | 0 | 0 | 0 | 113.1 | K146 I147 A150 A206 L207 P208 | K146-F210 HydrophobicContact CB-CD2 3.96Å; K146-F210 HydrophobicContact CB-CE2 3.94Å; K146-F210 WeakPolarHBondContact CD-O 3.31Å; K146-F210 WeakPolarHBondContact CG-O 3.18Å; I147-F210 HydrophobicContact CG1-CE2 4.37Å; A150-F210 HydrophobicContact CB-CB 4.1Å; A150-F210 HydrophobicContact CB-CD2 4.08Å; A206-F210 PolarHBondContact O-N 3.44Å; A206-F210 VanDerWaalsContact O-N 3.12Å; L207-F210 WeakPolarHBondContact O-CB 3.5Å; L207-F210 PolarHBondContact O-N 3.34Å; L207-F210 VanDerWaalsContact O-N 3.15Å; P208-F210 VanDerWaalsContact C-N 3.35Å |
| 211 | I | 81.6 | Confident | 80 | Confident | 96 Ų | 96 | 67.7 Ų | 67.7 | 49% | 0.492 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -75.8 | -44 | -177.8 | -67.2 | 166.6 | 0 | 0 | 0 | 111.1 | L207 P208 E209 | L207-I211 WeakPolarHBondContact O-CG1 3.41Å; L207-I211 PolarHBondContact O-N 2.93Å; P208-I211 PolarHBondContact O-N 3.13Å; E209-I211 VanDerWaalsContact C-N 3.32Å; E209-I211 PolarHBondContact O-N 3.11Å |
| 212 | F | 79.1 | Confident | 78.7 | Confident | 33 Ų | 33 | 68 Ų | 68 | 15% | 0.145 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -94.3 | -10.6 | -171.7 | -62.1 | -61.3 | 0 | 0 | 0 | 114.3 | P208 E214 M227 V228 Y229 | P208-F212 HydrophobicContact CB-CD2 4.18Å; P208-F212 HydrophobicContact CB-CE2 4.25Å; P208-F212 WeakPolarHBondContact O-CB 3.41Å; P208-F212 WeakPolarHBondContact O-CD2 3.37Å; P208-F212 PolarHBondContact O-N 3.33Å; F212-E214 PolarHBondContact O-N 3.42Å; F212-M227 HydrophobicContact CB-CE 3.75Å; F212-V228 PolarHBondContact O-N 3.26Å; F212-Y229 HydrophobicContact CB-CD1 4.37Å; F212-Y229 HydrophobicContact CB-CE1 4.29Å; F212-Y229 HydrophobicContact CD1-CD1 4.19Å; F212-Y229 AromaticContact CD2-CD1 3.87Å; F212-Y229 HydrophobicContact CD2-CD1 3.87Å; F212-Y229 AromaticContact CD2-CE1 3.66Å; F212-Y229 HydrophobicContact CD2-CE1 3.66Å; F212-Y229 HydrophobicContact CE1-CD1 4.48Å; F212-Y229 HydrophobicContact CE2-CD1 4.2Å; F212-Y229 HydrophobicContact CE2-CE1 4.18Å; F212-Y229 AromaticContact CG-CD1 3.89Å; F212-Y229 HydrophobicContact CG-CD1 3.89Å; F212-Y229 AromaticContact CG-CE1 4Å; F212-Y229 HydrophobicContact CG-CE1 4Å; F212-Y229 HydrophobicContact CZ-CD1 4.5Å |
| 213 | A | 78.4 | Confident | 77.8 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 120.3 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | K146 E209 M227 | K146-A213 WeakPolarHBondContact CE-O 3.49Å; K146-A213 HydrophobicContact CG-CB 4.14Å; K146-A213 WeakPolarHBondContact CG-O 3.26Å; E209-A213 WeakPolarHBondContact O-CB 3.13Å; E209-A213 PolarHBondContact O-N 3.15Å; A213-M227 HydrophobicContact CB-SD 3.83Å |
| 214 | E | 79.7 | Confident | 76.9 | Confident | 75 Ų | 75 | 68 Ų | 68 | 35% | 0.35 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 161.2 | 178 | -67.3 | -167.8 | 160.5 | 0 | 0 | 111.4 | F212 T226 V228 | F212-E214 PolarHBondContact O-N 3.42Å; E214-T226 PolarHBondContact N-O 2.84Å; E214-T226 PolarHBondContact O-N 3.42Å; E214-V228 HydrophobicContact CB-CB 4.17Å; E214-V228 HydrophobicContact CB-CG2 3.82Å; E214-V228 HydrophobicContact CG-CB 4.47Å |
| 215 | V | 79.1 | Confident | 76.2 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 29% | 0.291 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 123.8 | 175.2 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | W138 C145 F224 | W138-V215 VanDerWaalsContact CD1-CG2 3.43Å; W138-V215 HydrophobicContact CG-CG2 4.27Å; C145-V215 HydrophobicContact CB-CG2 3.84Å; V215-F224 WeakPolarHBondContact CA-O 3.34Å |
| 216 | K | 75.2 | Confident | 75.5 | Confident | 95 Ų | 95 | 64.3 Ų | 64.3 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 150.6 | 173 | -80.1 | -173 | 162.5 | 172 | 0 | 110.5 | S223 F224 T226 V228 | K216-S223 CarbonylContact O-C 3.6Å; K216-S223 VanDerWaalsContact O-CA 3.27Å; K216-S223 WeakPolarHBondContact O-CA 3.47Å; K216-F224 HydrophobicContact CB-CD2 4.43Å; K216-F224 HydrophobicContact CB-CE1 4.16Å; K216-F224 HydrophobicContact CB-CE2 3.92Å; K216-F224 HydrophobicContact CB-CZ 3.76Å; K216-F224 PolarHBondContact N-O 3.44Å; K216-F224 PolarHBondContact O-N 2.95Å; K216-T226 HydrophobicContact CB-CG2 4.21Å; K216-T226 HydrophobicContact CD-CG2 3.81Å; K216-T226 HydrophobicContact CG-CG2 4.08Å; K216-V228 HydrophobicContact CD-CG2 3.72Å; K216-V228 HydrophobicContact CG-CG2 3.85Å |
| 217 | L | 72.2 | Confident | 74.4 | Confident | 136 Ų | 136 | 65.9 Ų | 65.9 | 71% | 0.712 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 130.5 | 169.2 | -72.9 | 131.2 | 0 | 0 | 0 | 108.5 | ||
| 218 | D | 67.1 | Low | 73.2 | Confident | 58 Ų | 58 | 63.2 Ų | 63.2 | 31% | 0.31 | 32% | 0.324 | S | S | . | . | trans | -75.7 | 160.7 | 169.4 | -141.3 | 16.6 | 0 | 0 | 0 | 109.9 | E220 E221 Q222 F224 | D218-E220 PolarHBondContact O-N 3.28Å; D218-E221 PolarHBondContact O-N 3.27Å; D218-Q222 WeakPolarHBondContact CB-O 3.44Å; D218-Q222 PolarHBondContact N-O 3.46Å; D218-F224 HydrophobicContact CB-CD1 4.04Å; D218-F224 HydrophobicContact CB-CE1 3.66Å | ||
| 219 | P | 60.2 | Low | 72.2 | Confident | 115 Ų | 115 | 62.8 Ų | 62.8 | 75% | 0.747 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -19.4 | 175.5 | -25.5 | 35.7 | 0 | 0 | 0 | 114.2 | ||
| 220 | E | 62.4 | Low | 70.8 | Confident | 79 Ų | 79 | 71.4 Ų | 71.4 | 37% | 0.369 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 24.1 | 176.2 | -62.2 | -175.3 | 161.2 | 0 | 0 | 112.9 | R66 R69 D218 Q222 | R66-E220 IonicContact CZ-OE1 3.41Å; R66-E220 IonicContact NE-OE1 3.66Å; R66-E220 PolarHBondContact NE-OE1 3.41Å; R66-E220 IonicContact NH2-OE1 3.3Å; R66-E220 PolarHBondContact NH2-OE1 2.89Å; R66-E220 VanDerWaalsContact NH2-OE1 3.13Å; R69-E220 IonicContact CZ-OE2 2.73Å; R69-E220 IonicContact NH1-OE2 3.13Å; R69-E220 PolarHBondContact NH1-OE2 3.39Å; R69-E220 IonicContact NH2-OE2 3.52Å; R69-E220 PolarHBondContact NH2-OE2 2.96Å; D218-E220 PolarHBondContact O-N 3.28Å; E220-Q222 PolarHBondContact O-N 3.15Å |
| 221 | E | 61.5 | Low | 69.3 | Low | 170 Ų | 170 | 73.8 Ų | 73.8 | 79% | 0.794 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 62.7 | 10 | 175.5 | -57.6 | -171.8 | 165.4 | 0 | 0 | 116.2 | D218 | D218-E221 PolarHBondContact O-N 3.27Š|
| 222 | Q | 64.4 | Low | 68 | Low | 73 Ų | 73 | 73.1 Ų | 73.1 | 34% | 0.341 | 37% | 0.365 | S | S | . | . | trans | -84.4 | 130.7 | 172.3 | -73 | -176 | -8.1 | 0 | 0 | 111.3 | R69 D218 E220 | R69-Q222 VanDerWaalsContact CD-OE1 3.27Å; D218-Q222 WeakPolarHBondContact CB-O 3.44Å; D218-Q222 PolarHBondContact N-O 3.46Å; E220-Q222 PolarHBondContact O-N 3.15Å | ||
| 223 | S | 74.9 | Confident | 66.5 | Low | 18 Ų | 18 | 75.3 Ų | 75.3 | 13% | 0.126 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 140.2 | 173.4 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | G137 W138 K216 | G137-S223 CarbonylContact C-O 3.52Å; G137-S223 WeakPolarHBondContact CA-O 3.5Å; W138-S223 VanDerWaalsContact C-OG 3.23Å; W138-S223 PolarHBondContact N-O 3.07Å; W138-S223 PolarHBondContact N-OG 3.38Å; W138-S223 WeakPolarHBondContact O-CB 3.36Å; W138-S223 PolarHBondContact O-OG 2.85Å; K216-S223 CarbonylContact O-C 3.6Å; K216-S223 VanDerWaalsContact O-CA 3.27Å; K216-S223 WeakPolarHBondContact O-CA 3.47Å |
| 224 | F | 74.8 | Confident | 65.3 | Low | 65 Ų | 65 | 82 Ų | 82 | 29% | 0.285 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 142.9 | 172.3 | 57.8 | -87.8 | 0 | 0 | 0 | 111.3 | V215 K216 D218 T226 | V215-F224 WeakPolarHBondContact CA-O 3.34Å; K216-F224 HydrophobicContact CB-CD2 4.43Å; K216-F224 HydrophobicContact CB-CE1 4.16Å; K216-F224 HydrophobicContact CB-CE2 3.92Å; K216-F224 HydrophobicContact CB-CZ 3.76Å; K216-F224 PolarHBondContact N-O 3.44Å; K216-F224 PolarHBondContact O-N 2.95Å; D218-F224 HydrophobicContact CB-CD1 4.04Å; D218-F224 HydrophobicContact CB-CE1 3.66Å; F224-T226 HydrophobicContact CD2-CG2 3.84Å; F224-T226 HydrophobicContact CE2-CG2 3.56Å |
| 225 | C | 77.5 | Confident | 64.7 | Low | 15 Ų | 15 | 79.8 Ų | 79.8 | 10% | 0.101 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 114.8 | 176.4 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | W138 C145 | W138-C225 HydrophobicContact CB-CB 4.35Å; W138-C225 HydrophobicContact CD2-CB 3.67Å; W138-C225 HydrophobicContact CE3-CB 3.67Å; W138-C225 HydrophobicContact CG-CB 3.94Å; W138-C225 HydrophobicContact CZ3-CB 4.29Å; C145-C225 WeakPolarHBondContact CA-SG 3.46Å; C145-C225 HydrophobicContact CB-CB 3.85Å; C145-C225 WeakPolarHBondContact CB-SG 3.25Å; C145-C225 VanDerWaalsContact SG-CA 3.57Å; C145-C225 WeakPolarHBondContact SG-CB 3.48Å; C145-C225 CovalentContact SG-SG 2.03Å; C145-C225 PolarHBondContact SG-SG 3.48Å |
| 226 | T | 72 | Confident | 64.1 | Low | 52 Ų | 52 | 86.1 Ų | 86.1 | 32% | 0.319 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 164.6 | -179.9 | -167.3 | 0 | 0 | 0 | 0 | 112.4 | E214 K216 F224 V228 | E214-T226 PolarHBondContact N-O 2.84Å; E214-T226 PolarHBondContact O-N 3.42Å; K216-T226 HydrophobicContact CB-CG2 4.21Å; K216-T226 HydrophobicContact CD-CG2 3.81Å; K216-T226 HydrophobicContact CG-CG2 4.08Å; F224-T226 HydrophobicContact CD2-CG2 3.84Å; F224-T226 HydrophobicContact CE2-CG2 3.56Å; T226-V228 HydrophobicContact CG2-CG2 4.01Å; T226-V228 PolarHBondContact O-N 2.87Å |
| 227 | M | 64.9 | Low | 63.8 | Low | 36 Ų | 36 | 84.1 Ų | 84.1 | 18% | 0.177 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 110.7 | 177.8 | -70.6 | -66.5 | -71.9 | 0 | 0 | 110.5 | E209 F212 A213 Y229 | E209-M227 HydrophobicContact CB-CE 4.45Å; E209-M227 HydrophobicContact CG-CE 4.18Å; E209-M227 HydrophobicContact CG-SD 3.92Å; E209-M227 VanDerWaalsContact OE2-CE 3.28Å; E209-M227 WeakPolarHBondContact OE2-CE 3.44Å; F212-M227 HydrophobicContact CB-CE 3.75Å; A213-M227 HydrophobicContact CB-SD 3.83Å; M227-Y229 HydrophobicContact CB-CD2 4.5Å; M227-Y229 HydrophobicContact CB-CE2 3.78Å; M227-Y229 HydrophobicContact CE-CE2 4.29Å; M227-Y229 VanDerWaalsContact CE-OH 3.3Å; M227-Y229 WeakPolarHBondContact CE-OH 3.49Å |
| 228 | V | 61.2 | Low | 63.7 | Low | 25 Ų | 25 | 79.3 Ų | 79.3 | 15% | 0.152 | 40% | 0.397 | C | S | . | . | trans | -105.3 | 107.4 | 179.3 | -171.5 | 0 | 0 | 0 | 0 | 109.1 | F212 E214 K216 T226 | F212-V228 PolarHBondContact O-N 3.26Å; E214-V228 HydrophobicContact CB-CB 4.17Å; E214-V228 HydrophobicContact CB-CG2 3.82Å; E214-V228 HydrophobicContact CG-CB 4.47Å; K216-V228 HydrophobicContact CD-CG2 3.72Å; K216-V228 HydrophobicContact CG-CG2 3.85Å; T226-V228 HydrophobicContact CG2-CG2 4.01Å; T226-V228 PolarHBondContact O-N 2.87Å | ||
| 229 | Y | 62.4 | Low | 63.9 | Low | 20 Ų | 20 | 79 Ų | 79 | 8% | 0.078 | 40% | 0.395 | C | S | . | . | trans | -88.9 | 140.4 | 173 | -63.6 | -93.9 | 0 | 0 | 0 | 108.9 | F212 M227 N231 K238 V241 L242 | F212-Y229 HydrophobicContact CB-CD1 4.37Å; F212-Y229 HydrophobicContact CB-CE1 4.29Å; F212-Y229 HydrophobicContact CD1-CD1 4.19Å; F212-Y229 AromaticContact CD2-CD1 3.87Å; F212-Y229 HydrophobicContact CD2-CD1 3.87Å; F212-Y229 AromaticContact CD2-CE1 3.66Å; F212-Y229 HydrophobicContact CD2-CE1 3.66Å; F212-Y229 HydrophobicContact CE1-CD1 4.48Å; F212-Y229 HydrophobicContact CE2-CD1 4.2Å; F212-Y229 HydrophobicContact CE2-CE1 4.18Å; F212-Y229 AromaticContact CG-CD1 3.89Å; F212-Y229 HydrophobicContact CG-CD1 3.89Å; F212-Y229 AromaticContact CG-CE1 4Å; F212-Y229 HydrophobicContact CG-CE1 4Å; F212-Y229 HydrophobicContact CZ-CD1 4.5Å; M227-Y229 HydrophobicContact CB-CD2 4.5Å; M227-Y229 HydrophobicContact CB-CE2 3.78Å; M227-Y229 HydrophobicContact CE-CE2 4.29Å; M227-Y229 VanDerWaalsContact CE-OH 3.3Å; M227-Y229 WeakPolarHBondContact CE-OH 3.49Å; Y229-N231 PolarHBondContact O-N 2.87Å; Y229-K238 HydrophobicContact CD1-CB 3.72Å; Y229-K238 HydrophobicContact CD1-CG 4.01Å; Y229-K238 HydrophobicContact CD2-CB 3.82Å; Y229-K238 HydrophobicContact CD2-CD 3.32Å; Y229-K238 HydrophobicContact CD2-CG 3.37Å; Y229-K238 HydrophobicContact CE1-CB 4.19Å; Y229-K238 HydrophobicContact CE1-CG 4.11Å; Y229-K238 HydrophobicContact CE2-CB 4.28Å; Y229-K238 HydrophobicContact CE2-CD 3.69Å; Y229-K238 HydrophobicContact CE2-CG 3.48Å; Y229-K238 VanDerWaalsContact CE2-CG 3.48Å; Y229-K238 HydrophobicContact CG-CB 3.5Å; Y229-K238 VanDerWaalsContact CG-CB 3.5Å; Y229-K238 HydrophobicContact CG-CD 3.92Å; Y229-K238 HydrophobicContact CG-CG 3.64Å; Y229-V241 HydrophobicContact CE1-CG1 4.44Å; Y229-L242 WeakPolarHBondContact OH-CD1 3.49Å | ||
| 230 | W | 53.8 | Low | 64.6 | Low | 197 Ų | 197 | 79.1 Ų | 79.1 | 75% | 0.746 | 39% | 0.388 | S | S | * | . | trans | -57.1 | 131.1 | 173.2 | -76.5 | 72.7 | 0 | 0 | 0 | 109.4 | N232 | W230-N232 PolarHBondContact O-N 3.2Š| ||
| 231 | N | 52.6 | Low | 65.3 | Low | 144 Ų | 144 | 76.4 Ų | 76.4 | 77% | 0.77 | 38% | 0.377 | S | S | * | . | trans | -72.8 | 74.4 | -174.9 | -158.8 | 22.5 | 0 | 0 | 0 | 110.2 | Y229 | Y229-N231 PolarHBondContact O-N 2.87Š| ||
| 232 | N | 53.9 | Low | 65.9 | Low | 82 Ų | 82 | 68.8 Ų | 68.8 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | trans | -80.4 | 147.6 | 166.9 | -65.8 | -27.9 | 0 | 0 | 0 | 108.2 | W230 F234 N235 T237 | W230-N232 PolarHBondContact O-N 3.2Å; N232-F234 PolarHBondContact O-N 3.08Å; N232-N235 PolarHBondContact O-N 2.88Å; N232-T237 PolarHBondContact ND2-OG1 2.96Å | ||
| 233 | A | 47.2 | Very low | 66.5 | Low | 78 Ų | 78 | 68 Ų | 68 | 65% | 0.645 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -44 | 119.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 234 | F | 54.4 | Low | 66.7 | Low | 140 Ų | 140 | 71.2 Ų | 71.2 | 61% | 0.614 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | 69.1 | 20.6 | 179.8 | -57.9 | -86.1 | 0 | 0 | 0 | 118 | N232 R236 A309 | N232-F234 PolarHBondContact O-N 3.08Å; F234-R236 HydrophobicContact CB-CG 4.13Å; F234-R236 PolarHBondContact O-N 2.63Å; F234-A309 VanDerWaalsContact O-CB 3.3Å; F234-A309 WeakPolarHBondContact O-CB 3.46Å |
| 235 | N | 65.9 | Low | 66.9 | Low | 29 Ų | 29 | 68.6 Ų | 68.6 | 16% | 0.155 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | 54.2 | 22.3 | 176.2 | -77.1 | -46.2 | 0 | 0 | 0 | 114.5 | N232 T237 K238 I239 A308 A309 | N232-N235 PolarHBondContact O-N 2.88Å; N235-T237 VanDerWaalsContact C-N 3.27Å; N235-T237 PolarHBondContact O-N 3.02Å; N235-K238 HydrophobicContact CB-CB 4.49Å; N235-K238 WeakPolarHBondContact O-CB 3.41Å; N235-K238 PolarHBondContact O-N 3.41Å; N235-K238 VanDerWaalsContact O-N 3.07Å; N235-I239 PolarHBondContact O-N 3.42Å; N235-A308 PolarHBondContact ND2-O 2.95Å; N235-A309 HydrophobicContact CB-CB 4.09Å |
| 236 | R | 67.6 | Low | 67 | Low | 181 Ų | 181 | 68.8 Ų | 68.8 | 68% | 0.683 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.7 | -37.4 | -174.4 | -70.4 | -176.8 | 178.4 | -174.9 | 0.5 | 112.6 | F234 I239 L240 | F234-R236 HydrophobicContact CB-CG 4.13Å; F234-R236 PolarHBondContact O-N 2.63Å; R236-I239 PolarHBondContact O-N 2.94Å; R236-L240 VanDerWaalsContact O-CB 3.27Å; R236-L240 WeakPolarHBondContact O-CB 3.39Å; R236-L240 PolarHBondContact O-N 3.43Å |
| 237 | T | 68.9 | Low | 67.4 | Low | 53 Ų | 53 | 69.4 Ų | 69.4 | 33% | 0.325 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63.9 | -41 | 177.8 | -47.6 | 0 | 0 | 0 | 0 | 111.5 | N232 N235 L240 V241 | N232-T237 PolarHBondContact ND2-OG1 2.96Å; N235-T237 VanDerWaalsContact C-N 3.27Å; N235-T237 PolarHBondContact O-N 3.02Å; T237-L240 PolarHBondContact O-N 3.08Å; T237-V241 HydrophobicContact CG2-CG2 4.38Å; T237-V241 WeakPolarHBondContact O-CB 3.42Å; T237-V241 VanDerWaalsContact O-CG2 3.23Å; T237-V241 WeakPolarHBondContact O-CG2 3.17Å; T237-V241 PolarHBondContact O-N 3.01Å |
| 238 | K | 70.1 | Confident | 68 | Low | 35 Ų | 35 | 72.2 Ų | 72.2 | 15% | 0.152 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.7 | -52.7 | 175.1 | 177.6 | 173.1 | -172.5 | -178.4 | 0 | 110.7 | Y229 N235 L240 V241 L242 A305 | Y229-K238 HydrophobicContact CD1-CB 3.72Å; Y229-K238 HydrophobicContact CD1-CG 4.01Å; Y229-K238 HydrophobicContact CD2-CB 3.82Å; Y229-K238 HydrophobicContact CD2-CD 3.32Å; Y229-K238 HydrophobicContact CD2-CG 3.37Å; Y229-K238 HydrophobicContact CE1-CB 4.19Å; Y229-K238 HydrophobicContact CE1-CG 4.11Å; Y229-K238 HydrophobicContact CE2-CB 4.28Å; Y229-K238 HydrophobicContact CE2-CD 3.69Å; Y229-K238 HydrophobicContact CE2-CG 3.48Å; Y229-K238 VanDerWaalsContact CE2-CG 3.48Å; Y229-K238 HydrophobicContact CG-CB 3.5Å; Y229-K238 VanDerWaalsContact CG-CB 3.5Å; Y229-K238 HydrophobicContact CG-CD 3.92Å; Y229-K238 HydrophobicContact CG-CG 3.64Å; N235-K238 HydrophobicContact CB-CB 4.49Å; N235-K238 WeakPolarHBondContact O-CB 3.41Å; N235-K238 PolarHBondContact O-N 3.41Å; N235-K238 VanDerWaalsContact O-N 3.07Å; K238-L240 PolarHBondContact O-N 3.11Å; K238-V241 PolarHBondContact O-N 3.22Å; K238-L242 WeakPolarHBondContact O-CB 3.31Å; K238-L242 PolarHBondContact O-N 3.19Å; K238-A305 HydrophobicContact CD-CB 4.24Å; K238-A305 HydrophobicContact CG-CB 4.06Å |
| 239 | I | 70.9 | Confident | 68.6 | Low | 53 Ų | 53 | 71.3 Ų | 71.3 | 27% | 0.272 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | -179.5 | -67.1 | 169.1 | 0 | 0 | 0 | 111.1 | N235 R236 L242 S243 A305 A309 | N235-I239 PolarHBondContact O-N 3.42Å; R236-I239 PolarHBondContact O-N 2.94Å; I239-L242 PolarHBondContact O-N 3.45Å; I239-S243 WeakPolarHBondContact O-CB 3.36Å; I239-S243 PolarHBondContact O-N 2.83Å; I239-A305 HydrophobicContact CG1-CB 4.14Å; I239-A309 HydrophobicContact CD1-CB 3.29Å; I239-A309 HydrophobicContact CG1-CB 4.41Å |
| 240 | L | 76.1 | Confident | 69.4 | Low | 117 Ų | 117 | 71 Ų | 71 | 61% | 0.613 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | -177.4 | -173.2 | 146.5 | 0 | 0 | 0 | 111.5 | R236 T237 K238 L244 | R236-L240 VanDerWaalsContact O-CB 3.27Å; R236-L240 WeakPolarHBondContact O-CB 3.39Å; R236-L240 PolarHBondContact O-N 3.43Å; T237-L240 PolarHBondContact O-N 3.08Å; K238-L240 PolarHBondContact O-N 3.11Å; L240-L244 VanDerWaalsContact O-CB 3.22Å; L240-L244 WeakPolarHBondContact O-CB 3.44Å; L240-L244 PolarHBondContact O-N 3.43Å |
| 241 | V | 76.8 | Confident | 70.8 | Confident | 22 Ų | 22 | 64.1 Ų | 64.1 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.8 | -48.3 | 177.6 | 169 | 0 | 0 | 0 | 0 | 111 | P208 Y229 T237 K238 L244 Q245 | P208-V241 HydrophobicContact CB-CG1 3.46Å; P208-V241 VanDerWaalsContact CB-CG1 3.46Å; P208-V241 HydrophobicContact CG-CG1 3.98Å; Y229-V241 HydrophobicContact CE1-CG1 4.44Å; T237-V241 HydrophobicContact CG2-CG2 4.38Å; T237-V241 WeakPolarHBondContact O-CB 3.42Å; T237-V241 VanDerWaalsContact O-CG2 3.23Å; T237-V241 WeakPolarHBondContact O-CG2 3.17Å; T237-V241 PolarHBondContact O-N 3.01Å; K238-V241 PolarHBondContact O-N 3.22Å; V241-L244 PolarHBondContact O-N 3.36Å; V241-Q245 WeakPolarHBondContact O-CB 3.31Å; V241-Q245 WeakPolarHBondContact O-CG 3.2Å; V241-Q245 PolarHBondContact O-N 3.25Å |
| 242 | L | 74.2 | Confident | 72.3 | Confident | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.052 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.7 | -44.6 | 178.9 | -119.9 | 66.7 | 0 | 0 | 0 | 112 | Y229 K238 I239 L244 Q245 I246 L301 A305 | Y229-L242 WeakPolarHBondContact OH-CD1 3.49Å; K238-L242 WeakPolarHBondContact O-CB 3.31Å; K238-L242 PolarHBondContact O-N 3.19Å; I239-L242 PolarHBondContact O-N 3.45Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L242-L244 PolarHBondContact O-N 3.49Å; L242-Q245 PolarHBondContact O-N 3.32Å; L242-I246 WeakPolarHBondContact O-CG1 3.42Å; L242-I246 PolarHBondContact O-N 3.49Å; L242-L301 HydrophobicContact CD2-CB 3.98Å; L242-L301 WeakPolarHBondContact CD2-O 3.26Å; L242-A305 HydrophobicContact CD2-CB 3.77Å |
| 243 | S | 76.2 | Confident | 73.7 | Confident | 55 Ų | 55 | 58 Ų | 58 | 39% | 0.385 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 177.5 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | I239 I246 C247 | I239-S243 WeakPolarHBondContact O-CB 3.36Å; I239-S243 PolarHBondContact O-N 2.83Å; S243-I246 PolarHBondContact O-N 3.44Å; S243-C247 WeakPolarHBondContact O-CB 3.4Å; S243-C247 PolarHBondContact O-N 3.26Å; S243-C247 PolarHBondContact O-SG 3.18Å |
| 244 | L | 79.4 | Confident | 75.5 | Confident | 87 Ų | 87 | 56.4 Ų | 56.4 | 46% | 0.455 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -44.9 | 176.1 | -176 | 68.4 | 0 | 0 | 0 | 111.6 | L240 V241 L242 I246 C247 M248 | L240-L244 VanDerWaalsContact O-CB 3.22Å; L240-L244 WeakPolarHBondContact O-CB 3.44Å; L240-L244 PolarHBondContact O-N 3.43Å; V241-L244 PolarHBondContact O-N 3.36Å; L242-L244 VanDerWaalsContact C-N 3.34Å; L242-L244 PolarHBondContact O-N 3.49Å; L244-I246 VanDerWaalsContact C-N 3.3Å; L244-I246 PolarHBondContact O-N 2.86Å; L244-C247 PolarHBondContact O-N 3.03Å; L244-M248 HydrophobicContact CD1-CE 4.13Å; L244-M248 HydrophobicContact CD1-CG 3.86Å; L244-M248 HydrophobicContact CG-CG 4.32Å; L244-M248 VanDerWaalsContact O-CB 3.29Å; L244-M248 WeakPolarHBondContact O-CB 3.13Å; L244-M248 WeakPolarHBondContact O-CG 3.46Å; L244-M248 PolarHBondContact O-N 2.69Å |
| 245 | Q | 79.6 | Confident | 77 | Confident | 10 Ų | 10 | 55.8 Ų | 55.8 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.9 | -39.4 | 177.2 | -79.9 | -178.4 | -23.5 | 0 | 0 | 112.2 | F157 M205 V241 L242 G249 | F157-Q245 HydrophobicContact CZ-CB 4.13Å; F157-Q245 HydrophobicContact CZ-CG 4.08Å; M205-Q245 PolarHBondContact O-NE2 2.99Å; M205-Q245 VanDerWaalsContact O-NE2 3.12Å; V241-Q245 WeakPolarHBondContact O-CB 3.31Å; V241-Q245 WeakPolarHBondContact O-CG 3.2Å; V241-Q245 PolarHBondContact O-N 3.25Å; L242-Q245 PolarHBondContact O-N 3.32Å; Q245-G249 VanDerWaalsContact O-CA 3.22Å; Q245-G249 WeakPolarHBondContact O-CA 3.5Å; Q245-G249 PolarHBondContact O-N 3.42Å |
| 246 | I | 79.6 | Confident | 77.9 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 10% | 0.097 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.2 | -43.4 | 179.1 | -69.5 | 169.2 | 0 | 0 | 0 | 111 | L242 S243 L244 M248 F250 C251 N298 I302 | L242-I246 WeakPolarHBondContact O-CG1 3.42Å; L242-I246 PolarHBondContact O-N 3.49Å; S243-I246 PolarHBondContact O-N 3.44Å; L244-I246 VanDerWaalsContact C-N 3.3Å; L244-I246 PolarHBondContact O-N 2.86Å; I246-M248 PolarHBondContact O-N 3.35Å; I246-F250 HydrophobicContact CG2-CB 4.44Å; I246-F250 WeakPolarHBondContact O-CA 3.36Å; I246-F250 VanDerWaalsContact O-CB 3.3Å; I246-F250 WeakPolarHBondContact O-CB 3.41Å; I246-F250 PolarHBondContact O-N 2.94Å; I246-C251 PolarHBondContact O-N 3.37Å; I246-N298 HydrophobicContact CD1-CB 4.33Å; I246-N298 WeakPolarHBondContact CD1-O 3.49Å; I246-N298 HydrophobicContact CG1-CB 4.44Å; I246-I302 HydrophobicContact CD1-CD1 3.38Å; I246-I302 HydrophobicContact CD1-CG1 3.21Å; I246-I302 HydrophobicContact CG2-CD1 4.34Å |
| 247 | C | 78.7 | Confident | 78.7 | Confident | 64 Ų | 64 | 48.4 Ų | 48.4 | 43% | 0.432 | 27% | 0.269 | S | S | . | . | I | π-helix | trans | -60.2 | -50 | 177.3 | -70 | 0 | 0 | 0 | 0 | 111.3 | S243 L244 C251 L252 | S243-C247 WeakPolarHBondContact O-CB 3.4Å; S243-C247 PolarHBondContact O-N 3.26Å; S243-C247 PolarHBondContact O-SG 3.18Å; L244-C247 PolarHBondContact O-N 3.03Å; C247-C251 WeakPolarHBondContact O-CB 3.41Å; C247-C251 PolarHBondContact O-N 3.31Å; C247-L252 WeakPolarHBondContact O-CB 3.44Å; C247-L252 PolarHBondContact O-N 3.21Å |
| 248 | M | 78.7 | Confident | 79.4 | Confident | 96 Ų | 96 | 49.7 Ų | 49.7 | 47% | 0.473 | 28% | 0.277 | S | S | . | . | I | π-helix | trans | -79.8 | -36.6 | -176.6 | -68.6 | -66.8 | -174.6 | 0 | 0 | 112.8 | M205 L244 I246 P253 | M205-M248 HydrophobicContact CE-CB 3.57Å; M205-M248 HydrophobicContact SD-CB 4.46Å; L244-M248 HydrophobicContact CD1-CE 4.13Å; L244-M248 HydrophobicContact CD1-CG 3.86Å; L244-M248 HydrophobicContact CG-CG 4.32Å; L244-M248 VanDerWaalsContact O-CB 3.29Å; L244-M248 WeakPolarHBondContact O-CB 3.13Å; L244-M248 WeakPolarHBondContact O-CG 3.46Å; L244-M248 PolarHBondContact O-N 2.69Å; I246-M248 PolarHBondContact O-N 3.35Å; M248-P253 WeakPolarHBondContact O-CD 3.35Å |
| 249 | G | 74.4 | Confident | 80.2 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -94.7 | -19.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | M160 Q245 | M160-G249 WeakPolarHBondContact CG-O 3.46Å; Q245-G249 VanDerWaalsContact O-CA 3.22Å; Q245-G249 WeakPolarHBondContact O-CA 3.5Å; Q245-G249 PolarHBondContact O-N 3.42Å |
| 250 | F | 79.3 | Confident | 80.7 | Confident | 14 Ų | 14 | 52 Ų | 52 | 6% | 0.061 | 29% | 0.285 | C | S | . | . | I | π-helix | trans | -121 | -58.2 | 178.7 | -172.3 | -101.2 | 0 | 0 | 0 | 112.1 | F156 M160 I246 P253 L254 V291 Q294 L295 | F156-F250 HydrophobicContact CE2-CD2 4.38Å; F156-F250 HydrophobicContact CZ-CB 4.19Å; F156-F250 HydrophobicContact CZ-CD2 4.01Å; M160-F250 HydrophobicContact CE-CD2 4.01Å; M160-F250 HydrophobicContact CE-CE2 4.34Å; M160-F250 WeakPolarHBondContact CE-O 3.48Å; I246-F250 HydrophobicContact CG2-CB 4.44Å; I246-F250 WeakPolarHBondContact O-CA 3.36Å; I246-F250 VanDerWaalsContact O-CB 3.3Å; I246-F250 WeakPolarHBondContact O-CB 3.41Å; I246-F250 PolarHBondContact O-N 2.94Å; F250-P253 WeakPolarHBondContact O-CD 3.39Å; F250-L254 HydrophobicContact CE1-CD2 3.99Å; F250-L254 HydrophobicContact CZ-CD2 4.38Å; F250-L254 WeakPolarHBondContact O-CB 3.1Å; F250-L254 PolarHBondContact O-N 2.9Å; F250-V291 HydrophobicContact CZ-CG1 4.01Å; F250-Q294 HydrophobicContact CE2-CB 4.32Å; F250-L295 HydrophobicContact CE1-CD1 4.13Å; F250-L295 HydrophobicContact CE1-CG 4.44Å; F250-L295 HydrophobicContact CZ-CB 3.93Å; F250-L295 HydrophobicContact CZ-CD1 4.05Å; F250-L295 HydrophobicContact CZ-CG 4.27Å |
| 251 | C | 83.3 | Confident | 81 | Confident | 53 Ų | 53 | 47 Ų | 47 | 36% | 0.358 | 26% | 0.259 | S | S | . | . | I | π-helix | trans | -64.6 | -48 | -173.1 | -60.2 | 0 | 0 | 0 | 0 | 112.5 | I246 C247 L254 L255 | I246-C251 PolarHBondContact O-N 3.37Å; C247-C251 WeakPolarHBondContact O-CB 3.41Å; C247-C251 PolarHBondContact O-N 3.31Å; C251-L254 PolarHBondContact O-N 2.87Å; C251-L255 WeakPolarHBondContact O-CB 3.43Å; C251-L255 VanDerWaalsContact O-CG 3.28Å; C251-L255 WeakPolarHBondContact O-CG 3.47Å; C251-L255 PolarHBondContact O-N 3.06Å |
| 252 | L | 82.9 | Confident | 81.4 | Confident | 94 Ų | 94 | 48.4 Ų | 48.4 | 49% | 0.492 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.3 | -49.6 | -178.5 | 178.7 | 136.5 | 0 | 0 | 0 | 112.6 | C247 L254 L255 V256 | C247-L252 WeakPolarHBondContact O-CB 3.44Å; C247-L252 PolarHBondContact O-N 3.21Å; L252-L254 VanDerWaalsContact C-N 3.29Å; L252-L254 PolarHBondContact O-N 3.37Å; L252-L255 PolarHBondContact O-N 2.85Å; L252-V256 WeakPolarHBondContact O-CG2 3.39Å; L252-V256 PolarHBondContact O-N 3.4Å; L252-V256 VanDerWaalsContact O-N 3.11Å |
| 253 | P | 82.6 | Confident | 81.8 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.013 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.9 | -38.9 | 172.5 | -27.6 | 36.8 | 0 | 0 | 0 | 112.9 | M160 L161 T164 M248 F250 V256 M257 | M160-P253 HydrophobicContact CE-CB 3.84Å; M160-P253 HydrophobicContact CG-CB 3.44Å; M160-P253 VanDerWaalsContact CG-CB 3.44Å; M160-P253 HydrophobicContact CG-CG 3.88Å; M160-P253 HydrophobicContact SD-CB 4.23Å; L161-P253 HydrophobicContact CD2-CG 4.31Å; T164-P253 WeakPolarHBondContact OG1-CB 3.31Å; M248-P253 WeakPolarHBondContact O-CD 3.35Å; F250-P253 WeakPolarHBondContact O-CD 3.39Å; P253-V256 PolarHBondContact O-N 3.06Å; P253-M257 WeakPolarHBondContact O-CB 3.43Å; P253-M257 WeakPolarHBondContact O-CG 3.04Å; P253-M257 PolarHBondContact O-N 3.41Å |
| 254 | L | 85 | Confident | 82 | Confident | 46 Ų | 46 | 47 Ų | 47 | 24% | 0.241 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 177.7 | -175.4 | 65.4 | 0 | 0 | 0 | 111.9 | M160 F250 C251 L252 V256 M257 V258 V291 | M160-L254 HydrophobicContact CE-CB 3.93Å; F250-L254 HydrophobicContact CE1-CD2 3.99Å; F250-L254 HydrophobicContact CZ-CD2 4.38Å; F250-L254 WeakPolarHBondContact O-CB 3.1Å; F250-L254 PolarHBondContact O-N 2.9Å; C251-L254 PolarHBondContact O-N 2.87Å; L252-L254 VanDerWaalsContact C-N 3.29Å; L252-L254 PolarHBondContact O-N 3.37Å; L254-V256 VanDerWaalsContact C-N 3.35Å; L254-V256 PolarHBondContact O-N 3.42Å; L254-M257 HydrophobicContact CD1-CE 4.4Å; L254-M257 PolarHBondContact O-N 2.8Å; L254-V258 HydrophobicContact CD1-CG2 4.37Å; L254-V258 HydrophobicContact CG-CG2 4.41Å; L254-V258 WeakPolarHBondContact O-CB 3.25Å; L254-V258 VanDerWaalsContact O-CG2 3.31Å; L254-V258 WeakPolarHBondContact O-CG2 3.21Å; L254-V258 PolarHBondContact O-N 2.94Å; L254-V291 HydrophobicContact CD1-CG1 4.29Å; L254-V291 HydrophobicContact CD1-CG2 3.65Å |
| 255 | L | 86.8 | Confident | 82 | Confident | 126 Ų | 126 | 45.7 Ų | 45.7 | 66% | 0.66 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.9 | -45 | 176.8 | -74.5 | 171.4 | 0 | 0 | 0 | 111.6 | C251 L252 M257 V258 F259 | C251-L255 WeakPolarHBondContact O-CB 3.43Å; C251-L255 VanDerWaalsContact O-CG 3.28Å; C251-L255 WeakPolarHBondContact O-CG 3.47Å; C251-L255 PolarHBondContact O-N 3.06Å; L252-L255 PolarHBondContact O-N 2.85Å; L255-M257 PolarHBondContact O-N 3.13Å; L255-V258 PolarHBondContact O-N 2.85Å; L255-F259 WeakPolarHBondContact O-CB 3.37Å; L255-F259 PolarHBondContact O-N 3.44Å |
| 256 | V | 85.1 | Confident | 82.2 | Confident | 53 Ų | 53 | 53.6 Ų | 53.6 | 32% | 0.321 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 176.5 | 175.6 | 0 | 0 | 0 | 0 | 110.5 | T164 V168 L252 P253 L254 F259 C260 | T164-V256 HydrophobicContact CG2-CB 3.92Å; T164-V256 HydrophobicContact CG2-CG1 3.55Å; V168-V256 HydrophobicContact CG2-CG1 4.15Å; L252-V256 WeakPolarHBondContact O-CG2 3.39Å; L252-V256 PolarHBondContact O-N 3.4Å; L252-V256 VanDerWaalsContact O-N 3.11Å; P253-V256 PolarHBondContact O-N 3.06Å; L254-V256 VanDerWaalsContact C-N 3.35Å; L254-V256 PolarHBondContact O-N 3.42Å; V256-F259 PolarHBondContact O-N 3.25Å; V256-C260 WeakPolarHBondContact O-CB 3.35Å; V256-C260 PolarHBondContact O-N 3.47Å; V256-C260 PolarHBondContact O-SG 3.37Å; V256-C260 VanDerWaalsContact O-SG 3.32Å |
| 257 | M | 83.3 | Confident | 82 | Confident | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -50 | 177.5 | -74.5 | -170.2 | -70.2 | 0 | 0 | 112 | M160 L163 T164 P253 L254 L255 F259 C260 Y261 V287 | M160-M257 HydrophobicContact CE-CE 3.3Å; M160-M257 HydrophobicContact SD-CE 3.46Å; M160-M257 WeakPolarHBondContact SD-CE 3.49Å; L163-M257 HydrophobicContact CB-SD 4.18Å; T164-M257 HydrophobicContact CG2-CG 4.38Å; P253-M257 WeakPolarHBondContact O-CB 3.43Å; P253-M257 WeakPolarHBondContact O-CG 3.04Å; P253-M257 PolarHBondContact O-N 3.41Å; L254-M257 HydrophobicContact CD1-CE 4.4Å; L254-M257 PolarHBondContact O-N 2.8Å; L255-M257 PolarHBondContact O-N 3.13Å; M257-F259 VanDerWaalsContact C-N 3.3Å; M257-F259 PolarHBondContact O-N 2.94Å; M257-C260 PolarHBondContact O-N 3.37Å; M257-Y261 HydrophobicContact CB-CD2 4.21Å; M257-Y261 HydrophobicContact CB-CE2 4.16Å; M257-Y261 WeakPolarHBondContact O-CB 3.31Å; M257-Y261 WeakPolarHBondContact O-CD2 3.3Å; M257-Y261 PolarHBondContact O-N 3.3Å; M257-V287 HydrophobicContact CE-CG1 4.13Å; M257-V287 HydrophobicContact SD-CB 4.48Å; M257-V287 HydrophobicContact SD-CG1 3.72Å; M257-V287 HydrophobicContact SD-CG2 3.86Å |
| 258 | V | 85.3 | Confident | 81.8 | Confident | 81 Ų | 81 | 51.7 Ų | 51.7 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.2 | -43.7 | 178.8 | 170.7 | 0 | 0 | 0 | 0 | 110.8 | L254 L255 S262 | L254-V258 HydrophobicContact CD1-CG2 4.37Å; L254-V258 HydrophobicContact CG-CG2 4.41Å; L254-V258 WeakPolarHBondContact O-CB 3.25Å; L254-V258 VanDerWaalsContact O-CG2 3.31Å; L254-V258 WeakPolarHBondContact O-CG2 3.21Å; L254-V258 PolarHBondContact O-N 2.94Å; L255-V258 PolarHBondContact O-N 2.85Å; V258-S262 VanDerWaalsContact O-CB 3.29Å; V258-S262 WeakPolarHBondContact O-CB 3.47Å; V258-S262 PolarHBondContact O-N 3.11Å; V258-S262 PolarHBondContact O-OG 2.74Å |
| 259 | F | 85.7 | Confident | 81.8 | Confident | 129 Ų | 129 | 52.4 Ų | 52.4 | 57% | 0.566 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.3 | -54.1 | 175.7 | 175 | -98.3 | 0 | 0 | 0 | 111.8 | L255 V256 M257 Y261 S262 V263 | L255-F259 WeakPolarHBondContact O-CB 3.37Å; L255-F259 PolarHBondContact O-N 3.44Å; V256-F259 PolarHBondContact O-N 3.25Å; M257-F259 VanDerWaalsContact C-N 3.3Å; M257-F259 PolarHBondContact O-N 2.94Å; F259-Y261 VanDerWaalsContact C-N 3.28Å; F259-Y261 PolarHBondContact O-N 3.5Å; F259-S262 PolarHBondContact O-N 3.3Å; F259-V263 HydrophobicContact CE1-CG2 4.45Å; F259-V263 HydrophobicContact CE2-CG2 4.34Å; F259-V263 HydrophobicContact CZ-CG2 4.19Å; F259-V263 WeakPolarHBondContact O-CG2 3.31Å; F259-V263 PolarHBondContact O-N 2.81Å; F259-V263 VanDerWaalsContact O-N 3.15Å |
| 260 | C | 82.3 | Confident | 82 | Confident | 6 Ų | 6 | 59.9 Ų | 59.9 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.1 | -45.3 | -180 | -74.7 | 0 | 0 | 0 | 0 | 111.5 | V256 M257 V263 I264 | V256-C260 WeakPolarHBondContact O-CB 3.35Å; V256-C260 PolarHBondContact O-N 3.47Å; V256-C260 PolarHBondContact O-SG 3.37Å; V256-C260 VanDerWaalsContact O-SG 3.32Å; M257-C260 PolarHBondContact O-N 3.37Å; C260-V263 PolarHBondContact O-N 3.32Å; C260-I264 WeakPolarHBondContact O-CD1 3.28Å; C260-I264 VanDerWaalsContact O-CG1 3.22Å; C260-I264 WeakPolarHBondContact O-CG1 3.49Å; C260-I264 PolarHBondContact O-N 3.2Å |
| 261 | Y | 82.8 | Confident | 81.7 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 5% | 0.051 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.8 | -37.7 | -179.7 | -77.6 | -51.2 | 0 | 0 | 0 | 113.9 | S167 M257 F259 V263 I264 I265 I283 F284 V287 | S167-Y261 WeakPolarHBondContact OG-CE2 3.39Å; S167-Y261 VanDerWaalsContact OG-CZ 3.31Å; S167-Y261 PolarHBondContact OG-OH 2.91Å; M257-Y261 HydrophobicContact CB-CD2 4.21Å; M257-Y261 HydrophobicContact CB-CE2 4.16Å; M257-Y261 WeakPolarHBondContact O-CB 3.31Å; M257-Y261 WeakPolarHBondContact O-CD2 3.3Å; M257-Y261 PolarHBondContact O-N 3.3Å; F259-Y261 VanDerWaalsContact C-N 3.28Å; F259-Y261 PolarHBondContact O-N 3.5Å; Y261-V263 PolarHBondContact O-N 2.97Å; Y261-I264 HydrophobicContact CD1-CD1 4.03Å; Y261-I264 HydrophobicContact CE1-CD1 4.41Å; Y261-I264 PolarHBondContact O-N 3.39Å; Y261-I265 WeakPolarHBondContact O-CB 3.31Å; Y261-I265 VanDerWaalsContact O-CG1 3.24Å; Y261-I265 WeakPolarHBondContact O-CG1 3.27Å; Y261-I265 PolarHBondContact O-N 2.82Å; Y261-I283 WeakPolarHBondContact OH-CG2 3.23Å; Y261-F284 VanDerWaalsContact CB-CE1 3.49Å; Y261-F284 AromaticContact CD1-CD1 3.76Å; Y261-F284 HydrophobicContact CD1-CD1 3.76Å; Y261-F284 AromaticContact CD1-CE1 3.01Å; Y261-F284 HydrophobicContact CD1-CE1 3.01Å; Y261-F284 AromaticContact CD1-CE2 4Å; Y261-F284 HydrophobicContact CD1-CE2 4Å; Y261-F284 AromaticContact CD1-CZ 3.12Å; Y261-F284 HydrophobicContact CD1-CZ 3.12Å; Y261-F284 HydrophobicContact CD2-CD1 4.26Å; Y261-F284 AromaticContact CD2-CE1 3.87Å; Y261-F284 HydrophobicContact CD2-CE1 3.87Å; Y261-F284 AromaticContact CE1-CD1 3.88Å; Y261-F284 HydrophobicContact CE1-CD1 3.88Å; Y261-F284 AromaticContact CE1-CE1 3.6Å; Y261-F284 HydrophobicContact CE1-CE1 3.6Å; Y261-F284 HydrophobicContact CE1-CE2 4.28Å; Y261-F284 HydrophobicContact CE1-CG 4.37Å; Y261-F284 AromaticContact CE1-CZ 3.78Å; Y261-F284 HydrophobicContact CE1-CZ 3.78Å; Y261-F284 HydrophobicContact CE2-CD1 4.42Å; Y261-F284 HydrophobicContact CE2-CE1 4.39Å; Y261-F284 AromaticContact CG-CD1 3.95Å; Y261-F284 HydrophobicContact CG-CD1 3.95Å; Y261-F284 AromaticContact CG-CE1 3.16Å; Y261-F284 HydrophobicContact CG-CE1 3.16Å; Y261-F284 AromaticContact CG-CZ 3.69Å; Y261-F284 HydrophobicContact CG-CZ 3.69Å; Y261-V287 HydrophobicContact CE2-CB 4.5Å; Y261-V287 HydrophobicContact CE2-CG1 4.38Å; Y261-V287 HydrophobicContact CE2-CG2 4.12Å |
| 262 | S | 83.9 | Confident | 81 | Confident | 52 Ų | 52 | 69.2 Ų | 69.2 | 36% | 0.364 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.8 | -42.6 | 174.6 | -63 | 0 | 0 | 0 | 0 | 110.9 | V258 F259 R266 | V258-S262 VanDerWaalsContact O-CB 3.29Å; V258-S262 WeakPolarHBondContact O-CB 3.47Å; V258-S262 PolarHBondContact O-N 3.11Å; V258-S262 PolarHBondContact O-OG 2.74Å; F259-S262 PolarHBondContact O-N 3.3Å; S262-R266 VanDerWaalsContact O-CG 3.28Å; S262-R266 WeakPolarHBondContact O-CG 3.45Å; S262-R266 PolarHBondContact O-N 2.95Å; S262-R266 VanDerWaalsContact O-N 3.11Å |
| 263 | V | 82.9 | Confident | 80.2 | Confident | 34 Ų | 34 | 65.8 Ų | 65.8 | 21% | 0.206 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -69.6 | -45.3 | 177 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | Y171 F259 C260 Y261 I265 R266 T267 | Y171-V263 HydrophobicContact CD2-CB 4.36Å; Y171-V263 HydrophobicContact CD2-CG1 4.24Å; Y171-V263 HydrophobicContact CE2-CB 4.09Å; Y171-V263 HydrophobicContact CE2-CG1 3.63Å; F259-V263 HydrophobicContact CE1-CG2 4.45Å; F259-V263 HydrophobicContact CE2-CG2 4.34Å; F259-V263 HydrophobicContact CZ-CG2 4.19Å; F259-V263 WeakPolarHBondContact O-CG2 3.31Å; F259-V263 PolarHBondContact O-N 2.81Å; F259-V263 VanDerWaalsContact O-N 3.15Å; C260-V263 PolarHBondContact O-N 3.32Å; Y261-V263 PolarHBondContact O-N 2.97Å; V263-I265 VanDerWaalsContact C-N 3.34Å; V263-I265 PolarHBondContact O-N 3.02Å; V263-R266 PolarHBondContact O-N 3.25Å; V263-T267 PolarHBondContact O-N 2.95Å; V263-T267 PolarHBondContact O-OG1 2.96Å; V263-T267 VanDerWaalsContact O-OG1 3.08Å |
| 264 | I | 79.6 | Confident | 79.1 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56 | -48.4 | 176.5 | -69.5 | 164.2 | 0 | 0 | 0 | 110.9 | R170 Y171 I174 C260 Y261 R266 T267 L268 L280 | R170-I264 HydrophobicContact CB-CD1 4.29Å; Y171-I264 HydrophobicContact CD2-CG1 4.37Å; I174-I264 HydrophobicContact CD1-CG2 4.16Å; C260-I264 WeakPolarHBondContact O-CD1 3.28Å; C260-I264 VanDerWaalsContact O-CG1 3.22Å; C260-I264 WeakPolarHBondContact O-CG1 3.49Å; C260-I264 PolarHBondContact O-N 3.2Å; Y261-I264 HydrophobicContact CD1-CD1 4.03Å; Y261-I264 HydrophobicContact CE1-CD1 4.41Å; Y261-I264 PolarHBondContact O-N 3.39Å; I264-R266 PolarHBondContact O-N 3.17Å; I264-T267 PolarHBondContact O-N 3.46Å; I264-L268 HydrophobicContact CG2-CD1 3.66Å; I264-L268 HydrophobicContact CG2-CG 4.3Å; I264-L268 WeakPolarHBondContact O-CB 3.5Å; I264-L268 VanDerWaalsContact O-CG 3.24Å; I264-L268 WeakPolarHBondContact O-CG 3.27Å; I264-L268 PolarHBondContact O-N 3.38Å; I264-L280 HydrophobicContact CG2-CD1 3.89Å; I264-L280 HydrophobicContact CG2-CD2 4.46Å |
| 265 | I | 80.9 | Confident | 77.8 | Confident | 60 Ų | 60 | 74.2 Ų | 74.2 | 31% | 0.308 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.4 | -47.2 | 179.7 | -69.4 | 165.8 | 0 | 0 | 0 | 110.3 | Y261 V263 T267 L268 L269 F284 | Y261-I265 WeakPolarHBondContact O-CB 3.31Å; Y261-I265 VanDerWaalsContact O-CG1 3.24Å; Y261-I265 WeakPolarHBondContact O-CG1 3.27Å; Y261-I265 PolarHBondContact O-N 2.82Å; V263-I265 VanDerWaalsContact C-N 3.34Å; V263-I265 PolarHBondContact O-N 3.02Å; I265-T267 PolarHBondContact O-N 3.03Å; I265-L268 PolarHBondContact O-N 3.28Å; I265-L269 HydrophobicContact CG2-CD1 3.73Å; I265-L269 HydrophobicContact CG2-CG 4.2Å; I265-L269 WeakPolarHBondContact O-CB 3.5Å; I265-L269 VanDerWaalsContact O-CG 3.29Å; I265-L269 WeakPolarHBondContact O-CG 3.32Å; I265-L269 PolarHBondContact O-N 3.45Å; I265-F284 HydrophobicContact CD1-CE1 4.09Å; I265-F284 HydrophobicContact CD1-CZ 3.75Å; I265-F284 HydrophobicContact CG1-CE2 4.38Å; I265-F284 HydrophobicContact CG1-CZ 3.74Å |
| 266 | R | 82.4 | Confident | 76.5 | Confident | 176 Ų | 176 | 76.7 Ų | 76.7 | 66% | 0.664 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -57.4 | -47.7 | 177.4 | -75.1 | 176 | -177.5 | -177 | 2.1 | 111.9 | S262 V263 I264 L268 L269 Q270 | S262-R266 VanDerWaalsContact O-CG 3.28Å; S262-R266 WeakPolarHBondContact O-CG 3.45Å; S262-R266 PolarHBondContact O-N 2.95Å; S262-R266 VanDerWaalsContact O-N 3.11Å; V263-R266 PolarHBondContact O-N 3.25Å; I264-R266 PolarHBondContact O-N 3.17Å; R266-L268 VanDerWaalsContact C-N 3.34Å; R266-L268 PolarHBondContact O-N 3.31Å; R266-L269 PolarHBondContact O-N 3.49Å; R266-Q270 VanDerWaalsContact O-CG 3.32Å; R266-Q270 WeakPolarHBondContact O-CG 3.03Å; R266-Q270 PolarHBondContact O-N 2.98Å |
| 267 | T | 76.8 | Confident | 75.7 | Confident | 40 Ų | 40 | 75.9 Ų | 75.9 | 25% | 0.245 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.9 | -39.7 | 178.9 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | I174 V175 V263 I264 I265 Q270 A271 | I174-T267 HydrophobicContact CG2-CG2 4.46Å; V175-T267 HydrophobicContact CG2-CG2 4.43Å; V263-T267 PolarHBondContact O-N 2.95Å; V263-T267 PolarHBondContact O-OG1 2.96Å; V263-T267 VanDerWaalsContact O-OG1 3.08Å; I264-T267 PolarHBondContact O-N 3.46Å; I265-T267 PolarHBondContact O-N 3.03Å; T267-Q270 PolarHBondContact O-N 3.45Å; T267-A271 WeakPolarHBondContact O-CB 2.97Å; T267-A271 PolarHBondContact O-N 3.15Å |
| 268 | L | 74.5 | Confident | 74.9 | Confident | 3 Ų | 3 | 81.8 Ų | 81.8 | 2% | 0.016 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72.4 | -35.1 | 179.9 | -70.2 | 174.3 | 0 | 0 | 0 | 113.7 | I174 I264 I265 R266 A271 K272 S273 F274 H277 L280 | I174-L268 HydrophobicContact CG2-CD2 4.42Å; I264-L268 HydrophobicContact CG2-CD1 3.66Å; I264-L268 HydrophobicContact CG2-CG 4.3Å; I264-L268 WeakPolarHBondContact O-CB 3.5Å; I264-L268 VanDerWaalsContact O-CG 3.24Å; I264-L268 WeakPolarHBondContact O-CG 3.27Å; I264-L268 PolarHBondContact O-N 3.38Å; I265-L268 PolarHBondContact O-N 3.28Å; R266-L268 VanDerWaalsContact C-N 3.34Å; R266-L268 PolarHBondContact O-N 3.31Å; L268-A271 PolarHBondContact O-N 3.09Å; L268-K272 PolarHBondContact O-N 3.3Å; L268-S273 PolarHBondContact O-N 3.43Å; L268-F274 HydrophobicContact CB-CD2 4.02Å; L268-F274 HydrophobicContact CD1-CD2 4.13Å; L268-F274 HydrophobicContact CD1-CE2 4.49Å; L268-H277 WeakPolarHBondContact CD2-CD2 3.46Å; L268-H277 WeakPolarHBondContact CD2-NE2 3.29Å; L268-L280 HydrophobicContact CD1-CD1 3.32Å |
| 269 | L | 77.4 | Confident | 74 | Confident | 111 Ų | 111 | 80.7 Ų | 80.7 | 58% | 0.581 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 173.1 | -71.7 | 173.6 | 0 | 0 | 0 | 110.7 | I265 R266 A271 K272 | I265-L269 HydrophobicContact CG2-CD1 3.73Å; I265-L269 HydrophobicContact CG2-CG 4.2Å; I265-L269 WeakPolarHBondContact O-CB 3.5Å; I265-L269 VanDerWaalsContact O-CG 3.29Å; I265-L269 WeakPolarHBondContact O-CG 3.32Å; I265-L269 PolarHBondContact O-N 3.45Å; R266-L269 PolarHBondContact O-N 3.49Å; L269-A271 VanDerWaalsContact C-N 3.31Å; L269-A271 PolarHBondContact O-N 2.85Å; L269-K272 PolarHBondContact O-N 3.49Å; L269-K272 VanDerWaalsContact O-N 3.15Å |
| 270 | Q | 78.4 | Confident | 73.3 | Confident | 162 Ų | 162 | 74.9 Ų | 74.9 | 76% | 0.757 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.8 | -38.5 | 174.7 | -73.7 | 174.7 | -21.5 | 0 | 0 | 112.3 | R266 T267 K272 | R266-Q270 VanDerWaalsContact O-CG 3.32Å; R266-Q270 WeakPolarHBondContact O-CG 3.03Å; R266-Q270 PolarHBondContact O-N 2.98Å; T267-Q270 PolarHBondContact O-N 3.45Å; Q270-K272 PolarHBondContact O-N 3.21Å |
| 271 | A | 73.4 | Confident | 73 | Confident | 64 Ų | 64 | 81.3 Ų | 81.3 | 53% | 0.529 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -2.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | T267 L268 L269 S273 | T267-A271 WeakPolarHBondContact O-CB 2.97Å; T267-A271 PolarHBondContact O-N 3.15Å; L268-A271 PolarHBondContact O-N 3.09Å; L269-A271 VanDerWaalsContact C-N 3.31Å; L269-A271 PolarHBondContact O-N 2.85Å; A271-S273 PolarHBondContact O-N 2.89Å |
| 272 | K | 68.8 | Low | 72.5 | Confident | 200 Ų | 200 | 81.4 Ų | 81.4 | 87% | 0.87 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.6 | 30.7 | -172.1 | -64.7 | -175.2 | 178.5 | -179.5 | 0 | 113.4 | L268 L269 Q270 | L268-K272 PolarHBondContact O-N 3.3Å; L269-K272 PolarHBondContact O-N 3.49Å; L269-K272 VanDerWaalsContact O-N 3.15Å; Q270-K272 PolarHBondContact O-N 3.21Å |
| 273 | S | 66.8 | Low | 72.2 | Confident | 21 Ų | 21 | 79.9 Ų | 79.9 | 15% | 0.147 | 39% | 0.385 | C | S | . | . | trans | -113.9 | 8.5 | -171.1 | 73.1 | 0 | 0 | 0 | 0 | 114.1 | L268 A271 E275 K276 H277 | L268-S273 PolarHBondContact O-N 3.43Å; A271-S273 PolarHBondContact O-N 2.89Å; S273-E275 VanDerWaalsContact C-N 3.29Å; S273-E275 PolarHBondContact O-N 3.35Å; S273-E275 VanDerWaalsContact O-N 3.17Å; S273-K276 WeakPolarHBondContact O-CB 3.35Å; S273-K276 PolarHBondContact O-N 2.95Å; S273-H277 PolarHBondContact O-CD2 3.35Å; S273-H277 PolarHBondContact OG-NE2 2.85Å | ||
| 274 | F | 59.5 | Low | 72 | Confident | 77 Ų | 77 | 80.5 Ų | 80.5 | 34% | 0.338 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -52 | -42.8 | -172.9 | -166.6 | -99 | 0 | 0 | 0 | 113.7 | L268 K276 H277 | L268-F274 HydrophobicContact CB-CD2 4.02Å; L268-F274 HydrophobicContact CD1-CD2 4.13Å; L268-F274 HydrophobicContact CD1-CE2 4.49Å; F274-K276 PolarHBondContact O-N 3.4Å; F274-K276 VanDerWaalsContact O-N 3.17Å; F274-H277 PolarHBondContact O-N 3.48Å |
| 275 | E | 57.6 | Low | 72.2 | Confident | 148 Ų | 148 | 81.7 Ų | 81.7 | 69% | 0.692 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -60.4 | -23.4 | 177.1 | -77.5 | -68.5 | 121.9 | 0 | 0 | 114 | S273 | S273-E275 VanDerWaalsContact C-N 3.29Å; S273-E275 PolarHBondContact O-N 3.35Å; S273-E275 VanDerWaalsContact O-N 3.17Å |
| 276 | K | 59.8 | Low | 72.3 | Confident | 179 Ų | 179 | 78.9 Ų | 78.9 | 78% | 0.778 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -82.1 | -16.6 | -178.2 | -61.5 | -175.1 | 178.8 | 177.8 | 0 | 113 | S273 F274 K278 | S273-K276 WeakPolarHBondContact O-CB 3.35Å; S273-K276 PolarHBondContact O-N 2.95Å; F274-K276 PolarHBondContact O-N 3.4Å; F274-K276 VanDerWaalsContact O-N 3.17Å; K276-K278 PolarHBondContact O-N 2.64Å |
| 277 | H | 66.9 | Low | 72.4 | Confident | 35 Ų | 35 | 71.2 Ų | 71.2 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | trans | -101.9 | 57.6 | -172.7 | -62 | -79.3 | 0 | 0 | 0 | 113.3 | L268 S273 F274 A279 L280 | L268-H277 WeakPolarHBondContact CD2-CD2 3.46Å; L268-H277 WeakPolarHBondContact CD2-NE2 3.29Å; S273-H277 PolarHBondContact O-CD2 3.35Å; S273-H277 PolarHBondContact OG-NE2 2.85Å; F274-H277 PolarHBondContact O-N 3.48Å; H277-A279 PolarHBondContact O-N 2.86Å; H277-A279 VanDerWaalsContact O-N 3.11Å; H277-L280 HydrophobicContact CB-CB 4.39Å; H277-L280 HydrophobicContact CB-CD1 3.67Å; H277-L280 HydrophobicContact CB-CG 4.13Å; H277-L280 WeakPolarHBondContact O-CB 3.39Å; H277-L280 PolarHBondContact O-N 2.8Å | ||
| 278 | K | 67.1 | Low | 72.8 | Confident | 127 Ų | 127 | 75.5 Ų | 75.5 | 55% | 0.552 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -51.7 | -34.9 | 178.2 | -66.3 | -177 | -178.9 | 180 | 0 | 113.5 | K276 L280 R281 V282 V349 | K276-K278 PolarHBondContact O-N 2.64Å; K278-L280 VanDerWaalsContact C-N 3.3Å; K278-L280 PolarHBondContact O-N 3.29Å; K278-R281 PolarHBondContact O-N 2.92Å; K278-V282 PolarHBondContact O-N 3.5Å; K278-V349 HydrophobicContact CD-CG2 4.01Å |
| 279 | A | 65.6 | Low | 73.4 | Confident | 57 Ų | 57 | 77.1 Ų | 77.1 | 47% | 0.471 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -63.3 | -32.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H277 V282 I283 | H277-A279 PolarHBondContact O-N 2.86Å; H277-A279 VanDerWaalsContact O-N 3.11Å; A279-V282 WeakPolarHBondContact O-CB 3.32Å; A279-V282 PolarHBondContact O-N 3.43Å; A279-I283 WeakPolarHBondContact O-CG1 3.2Å; A279-I283 PolarHBondContact O-N 3.46Å |
| 280 | L | 71.6 | Confident | 73.8 | Confident | 8 Ų | 8 | 71.9 Ų | 71.9 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -70.6 | -38 | 176.9 | -69.8 | 172.9 | 0 | 0 | 0 | 111.8 | R170 I174 I264 L268 H277 K278 V282 I283 F284 | R170-L280 HydrophobicContact CB-CD2 4.05Å; R170-L280 HydrophobicContact CG-CD2 4.02Å; I174-L280 HydrophobicContact CD1-CD1 3.65Å; I174-L280 HydrophobicContact CD1-CD2 3.98Å; I174-L280 HydrophobicContact CD1-CG 4.29Å; I264-L280 HydrophobicContact CG2-CD1 3.89Å; I264-L280 HydrophobicContact CG2-CD2 4.46Å; L268-L280 HydrophobicContact CD1-CD1 3.32Å; H277-L280 HydrophobicContact CB-CB 4.39Å; H277-L280 HydrophobicContact CB-CD1 3.67Å; H277-L280 HydrophobicContact CB-CG 4.13Å; H277-L280 WeakPolarHBondContact O-CB 3.39Å; H277-L280 PolarHBondContact O-N 2.8Å; K278-L280 VanDerWaalsContact C-N 3.3Å; K278-L280 PolarHBondContact O-N 3.29Å; L280-V282 PolarHBondContact O-N 3.2Å; L280-I283 PolarHBondContact O-N 3.3Å; L280-I283 VanDerWaalsContact O-N 3.12Å; L280-F284 HydrophobicContact CB-CD2 4.32Å; L280-F284 HydrophobicContact CB-CE2 4.28Å; L280-F284 WeakPolarHBondContact O-CD2 3.43Å; L280-F284 PolarHBondContact O-N 3.42Å |
| 281 | R | 75.6 | Confident | 74.1 | Confident | 141 Ų | 141 | 65.2 Ų | 65.2 | 53% | 0.532 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -57.5 | -37.3 | 175 | -69.8 | 177.7 | 61.8 | 177.5 | -1.2 | 111.8 | K278 A285 | K278-R281 PolarHBondContact O-N 2.92Å; R281-A285 WeakPolarHBondContact O-CB 3.3Å; R281-A285 PolarHBondContact O-N 2.83Å |
| 282 | V | 73.8 | Confident | 74.8 | Confident | 14 Ų | 14 | 66.7 Ų | 66.7 | 9% | 0.085 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.9 | -51.4 | 174.8 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | K278 A279 L280 F284 A285 V286 Y344 I347 | K278-V282 PolarHBondContact O-N 3.5Å; A279-V282 WeakPolarHBondContact O-CB 3.32Å; A279-V282 PolarHBondContact O-N 3.43Å; L280-V282 PolarHBondContact O-N 3.2Å; V282-F284 VanDerWaalsContact C-N 3.34Å; V282-F284 PolarHBondContact O-N 2.88Å; V282-A285 PolarHBondContact O-N 3.33Å; V282-V286 HydrophobicContact CG1-CG2 4.41Å; V282-V286 VanDerWaalsContact O-CG2 3.31Å; V282-V286 WeakPolarHBondContact O-CG2 3.45Å; V282-V286 PolarHBondContact O-N 3.25Å; V282-Y344 HydrophobicContact CG1-CD1 3.95Å; V282-Y344 HydrophobicContact CG1-CE1 4.41Å; V282-I347 HydrophobicContact CB-CB 4.47Å; V282-I347 HydrophobicContact CB-CG2 4.21Å; V282-I347 HydrophobicContact CG2-CB 3.83Å; V282-I347 HydrophobicContact CG2-CG2 3.51Å; V282-I347 WeakPolarHBondContact CG2-O 3.37Å |
| 283 | I | 77.3 | Confident | 75.7 | Confident | 21 Ų | 21 | 57.4 Ų | 57.4 | 11% | 0.108 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.1 | -40.1 | -175.5 | -52.8 | 166.6 | 0 | 0 | 0 | 110.3 | I166 R170 Y261 A279 L280 A285 V286 V287 | I166-I283 HydrophobicContact CG2-CD1 3.85Å; I166-I283 HydrophobicContact CG2-CG1 4.3Å; I166-I283 HydrophobicContact CG2-CG2 3.79Å; R170-I283 HydrophobicContact CG-CD1 3.57Å; Y261-I283 WeakPolarHBondContact OH-CG2 3.23Å; A279-I283 WeakPolarHBondContact O-CG1 3.2Å; A279-I283 PolarHBondContact O-N 3.46Å; L280-I283 PolarHBondContact O-N 3.3Å; L280-I283 VanDerWaalsContact O-N 3.12Å; I283-A285 PolarHBondContact O-N 3.33Å; I283-V286 PolarHBondContact O-N 2.97Å; I283-V287 HydrophobicContact CG2-CG2 4.47Å; I283-V287 WeakPolarHBondContact O-CG2 3.37Å; I283-V287 PolarHBondContact O-N 3.27Å |
| 284 | F | 79.4 | Confident | 76.7 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 21% | 0.206 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.1 | -48.1 | 171.6 | -82.6 | -61.1 | 0 | 0 | 0 | 112.7 | Y261 I265 L280 V282 V287 F288 | Y261-F284 VanDerWaalsContact CB-CE1 3.49Å; Y261-F284 AromaticContact CD1-CD1 3.76Å; Y261-F284 HydrophobicContact CD1-CD1 3.76Å; Y261-F284 AromaticContact CD1-CE1 3.01Å; Y261-F284 HydrophobicContact CD1-CE1 3.01Å; Y261-F284 AromaticContact CD1-CE2 4Å; Y261-F284 HydrophobicContact CD1-CE2 4Å; Y261-F284 AromaticContact CD1-CZ 3.12Å; Y261-F284 HydrophobicContact CD1-CZ 3.12Å; Y261-F284 HydrophobicContact CD2-CD1 4.26Å; Y261-F284 AromaticContact CD2-CE1 3.87Å; Y261-F284 HydrophobicContact CD2-CE1 3.87Å; Y261-F284 AromaticContact CE1-CD1 3.88Å; Y261-F284 HydrophobicContact CE1-CD1 3.88Å; Y261-F284 AromaticContact CE1-CE1 3.6Å; Y261-F284 HydrophobicContact CE1-CE1 3.6Å; Y261-F284 HydrophobicContact CE1-CE2 4.28Å; Y261-F284 HydrophobicContact CE1-CG 4.37Å; Y261-F284 AromaticContact CE1-CZ 3.78Å; Y261-F284 HydrophobicContact CE1-CZ 3.78Å; Y261-F284 HydrophobicContact CE2-CD1 4.42Å; Y261-F284 HydrophobicContact CE2-CE1 4.39Å; Y261-F284 AromaticContact CG-CD1 3.95Å; Y261-F284 HydrophobicContact CG-CD1 3.95Å; Y261-F284 AromaticContact CG-CE1 3.16Å; Y261-F284 HydrophobicContact CG-CE1 3.16Å; Y261-F284 AromaticContact CG-CZ 3.69Å; Y261-F284 HydrophobicContact CG-CZ 3.69Å; I265-F284 HydrophobicContact CD1-CE1 4.09Å; I265-F284 HydrophobicContact CD1-CZ 3.75Å; I265-F284 HydrophobicContact CG1-CE2 4.38Å; I265-F284 HydrophobicContact CG1-CZ 3.74Å; L280-F284 HydrophobicContact CB-CD2 4.32Å; L280-F284 HydrophobicContact CB-CE2 4.28Å; L280-F284 WeakPolarHBondContact O-CD2 3.43Å; L280-F284 PolarHBondContact O-N 3.42Å; V282-F284 VanDerWaalsContact C-N 3.34Å; V282-F284 PolarHBondContact O-N 2.88Å; F284-V287 PolarHBondContact O-N 2.76Å; F284-F288 VanDerWaalsContact O-CB 3.26Å; F284-F288 WeakPolarHBondContact O-CB 3.5Å; F284-F288 PolarHBondContact O-N 3.47Å |
| 285 | A | 82.1 | Confident | 77.9 | Confident | 25 Ų | 25 | 56.4 Ų | 56.4 | 21% | 0.207 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -42.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R281 V282 I283 F288 V289 I347 | R281-A285 WeakPolarHBondContact O-CB 3.3Å; R281-A285 PolarHBondContact O-N 2.83Å; V282-A285 PolarHBondContact O-N 3.33Å; I283-A285 PolarHBondContact O-N 3.33Å; A285-F288 PolarHBondContact O-N 3.28Å; A285-V289 WeakPolarHBondContact O-CB 3.28Å; A285-V289 VanDerWaalsContact O-CG2 3.27Å; A285-V289 WeakPolarHBondContact O-CG2 3.48Å; A285-V289 PolarHBondContact O-N 3.41Å; A285-I347 HydrophobicContact CB-CD1 3.61Å |
| 286 | V | 83.8 | Confident | 79.3 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 177.2 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | L163 V282 I283 F288 V289 F290 L343 Y344 | L163-V286 HydrophobicContact CD1-CG1 4.48Å; L163-V286 HydrophobicContact CD2-CG1 3.67Å; V282-V286 HydrophobicContact CG1-CG2 4.41Å; V282-V286 VanDerWaalsContact O-CG2 3.31Å; V282-V286 WeakPolarHBondContact O-CG2 3.45Å; V282-V286 PolarHBondContact O-N 3.25Å; I283-V286 PolarHBondContact O-N 2.97Å; V286-F288 PolarHBondContact O-N 2.8Å; V286-V289 PolarHBondContact O-N 2.83Å; V286-F290 VanDerWaalsContact O-CB 3.28Å; V286-F290 WeakPolarHBondContact O-CB 3.46Å; V286-F290 PolarHBondContact O-N 2.92Å; V286-L343 HydrophobicContact CB-CD1 4.34Å; V286-L343 HydrophobicContact CG2-CB 3.9Å; V286-L343 HydrophobicContact CG2-CD1 3.77Å; V286-L343 HydrophobicContact CG2-CG 4.5Å; V286-Y344 HydrophobicContact CG2-CD1 4.48Å; V286-Y344 HydrophobicContact CG2-CE1 3.86Å |
| 287 | V | 83.6 | Confident | 80.5 | Confident | 14 Ų | 14 | 43.9 Ų | 43.9 | 9% | 0.085 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 177.6 | 171.5 | 0 | 0 | 0 | 0 | 111 | L163 M257 Y261 I283 F284 F290 V291 | L163-V287 HydrophobicContact CB-CG2 4.4Å; L163-V287 HydrophobicContact CD2-CG2 4.39Å; M257-V287 HydrophobicContact CE-CG1 4.13Å; M257-V287 HydrophobicContact SD-CB 4.48Å; M257-V287 HydrophobicContact SD-CG1 3.72Å; M257-V287 HydrophobicContact SD-CG2 3.86Å; Y261-V287 HydrophobicContact CE2-CB 4.5Å; Y261-V287 HydrophobicContact CE2-CG1 4.38Å; Y261-V287 HydrophobicContact CE2-CG2 4.12Å; I283-V287 HydrophobicContact CG2-CG2 4.47Å; I283-V287 WeakPolarHBondContact O-CG2 3.37Å; I283-V287 PolarHBondContact O-N 3.27Å; F284-V287 PolarHBondContact O-N 2.76Å; V287-F290 PolarHBondContact O-N 3.25Å; V287-V291 HydrophobicContact CG1-CG2 4.32Å; V287-V291 WeakPolarHBondContact O-CB 3.21Å; V287-V291 VanDerWaalsContact O-CG2 3.27Å; V287-V291 WeakPolarHBondContact O-CG2 3.45Å; V287-V291 PolarHBondContact O-N 2.91Å |
| 288 | F | 85.3 | Confident | 81.3 | Confident | 131 Ų | 131 | 42.6 Ų | 42.6 | 58% | 0.575 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -61.5 | -48.9 | 179.6 | 179.5 | -104.2 | 0 | 0 | 0 | 112 | F284 A285 V286 F290 V291 L292 | F284-F288 VanDerWaalsContact O-CB 3.26Å; F284-F288 WeakPolarHBondContact O-CB 3.5Å; F284-F288 PolarHBondContact O-N 3.47Å; A285-F288 PolarHBondContact O-N 3.28Å; V286-F288 PolarHBondContact O-N 2.8Å; F288-F290 VanDerWaalsContact C-N 3.34Å; F288-F290 PolarHBondContact O-N 3.15Å; F288-V291 PolarHBondContact O-N 3.45Å; F288-L292 HydrophobicContact CD1-CD1 3.89Å; F288-L292 HydrophobicContact CD1-CG 4.48Å; F288-L292 HydrophobicContact CD2-CG 4.5Å; F288-L292 HydrophobicContact CE1-CD1 3.27Å; F288-L292 HydrophobicContact CE1-CG 4.19Å; F288-L292 HydrophobicContact CE2-CD1 3.97Å; F288-L292 HydrophobicContact CE2-CG 4.19Å; F288-L292 HydrophobicContact CG-CD1 4.49Å; F288-L292 HydrophobicContact CZ-CD1 3.33Å; F288-L292 HydrophobicContact CZ-CG 4.06Å; F288-L292 WeakPolarHBondContact O-CB 3.27Å; F288-L292 WeakPolarHBondContact O-CG 3.38Å; F288-L292 PolarHBondContact O-N 2.96Å |
| 289 | V | 87.1 | Confident | 81.9 | Confident | 37 Ų | 37 | 39.9 Ų | 39.9 | 22% | 0.224 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 177.4 | 169.4 | 0 | 0 | 0 | 0 | 111 | A285 V286 L292 S293 L339 L343 | A285-V289 WeakPolarHBondContact O-CB 3.28Å; A285-V289 VanDerWaalsContact O-CG2 3.27Å; A285-V289 WeakPolarHBondContact O-CG2 3.48Å; A285-V289 PolarHBondContact O-N 3.41Å; V286-V289 PolarHBondContact O-N 2.83Å; V289-L292 PolarHBondContact O-N 3.25Å; V289-S293 VanDerWaalsContact O-CB 3.28Å; V289-S293 WeakPolarHBondContact O-CB 3.43Å; V289-S293 PolarHBondContact O-N 3.3Å; V289-S293 PolarHBondContact O-OG 2.95Å; V289-S293 VanDerWaalsContact O-OG 3.08Å; V289-L339 HydrophobicContact CG1-CB 4.17Å; V289-L339 HydrophobicContact CG1-CD1 3.49Å; V289-L339 VanDerWaalsContact CG1-CD1 3.49Å; V289-L339 HydrophobicContact CG1-CG 4.47Å; V289-L343 HydrophobicContact CB-CD1 4.1Å; V289-L343 HydrophobicContact CG1-CD1 4.29Å; V289-L343 HydrophobicContact CG2-CD1 4.09Å |
| 290 | F | 85.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.6 | -52.9 | 175.7 | -175.6 | -91.5 | 0 | 0 | 0 | 111.1 | F156 M160 L163 V286 V287 F288 L292 S293 Q294 H336 | F156-F290 HydrophobicContact CD2-CZ 4.06Å; F156-F290 HydrophobicContact CE2-CE1 4.35Å; F156-F290 HydrophobicContact CE2-CZ 4.22Å; M160-F290 HydrophobicContact CB-CE1 4Å; M160-F290 HydrophobicContact CB-CZ 4.17Å; M160-F290 HydrophobicContact CG-CE1 4.25Å; M160-F290 HydrophobicContact SD-CD1 3.81Å; M160-F290 HydrophobicContact SD-CE1 3.42Å; M160-F290 WeakPolarHBondContact SD-CE1 3.22Å; M160-F290 HydrophobicContact SD-CZ 4.46Å; L163-F290 HydrophobicContact CD1-CB 4.04Å; L163-F290 HydrophobicContact CD1-CD1 4.2Å; L163-F290 HydrophobicContact CD1-CD2 4.15Å; L163-F290 HydrophobicContact CD1-CG 3.86Å; V286-F290 VanDerWaalsContact O-CB 3.28Å; V286-F290 WeakPolarHBondContact O-CB 3.46Å; V286-F290 PolarHBondContact O-N 2.92Å; V287-F290 PolarHBondContact O-N 3.25Å; F288-F290 VanDerWaalsContact C-N 3.34Å; F288-F290 PolarHBondContact O-N 3.15Å; F290-L292 PolarHBondContact O-N 3.06Å; F290-S293 PolarHBondContact O-N 3.07Å; F290-S293 PolarHBondContact O-OG 3.28Å; F290-Q294 HydrophobicContact CD1-CG 4.14Å; F290-Q294 HydrophobicContact CD2-CG 4.3Å; F290-Q294 HydrophobicContact CE1-CG 3.83Å; F290-Q294 HydrophobicContact CE2-CG 4.02Å; F290-Q294 HydrophobicContact CG-CG 4.37Å; F290-Q294 HydrophobicContact CZ-CG 3.78Å; F290-Q294 WeakPolarHBondContact O-CB 3.41Å; F290-Q294 VanDerWaalsContact O-CG 3.28Å; F290-Q294 WeakPolarHBondContact O-CG 3.38Å; F290-Q294 PolarHBondContact O-N 3.31Å; F290-H336 HydrophobicContact CD2-CB 4.49Å; F290-H336 AromaticContact CD2-CD2 3.56Å; F290-H336 AromaticContact CE2-CD2 3.55Å; F290-H336 AromaticContact CE2-NE2 3.75Å |
| 291 | V | 86.1 | Confident | 82.8 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 13% | 0.133 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -47.2 | -179.4 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | F250 L254 V287 F288 S293 Q294 L295 | F250-V291 HydrophobicContact CZ-CG1 4.01Å; L254-V291 HydrophobicContact CD1-CG1 4.29Å; L254-V291 HydrophobicContact CD1-CG2 3.65Å; V287-V291 HydrophobicContact CG1-CG2 4.32Å; V287-V291 WeakPolarHBondContact O-CB 3.21Å; V287-V291 VanDerWaalsContact O-CG2 3.27Å; V287-V291 WeakPolarHBondContact O-CG2 3.45Å; V287-V291 PolarHBondContact O-N 2.91Å; F288-V291 PolarHBondContact O-N 3.45Å; V291-S293 VanDerWaalsContact C-N 3.31Å; V291-S293 PolarHBondContact O-N 3.5Å; V291-Q294 PolarHBondContact O-N 3.3Å; V291-L295 WeakPolarHBondContact O-CB 3.43Å; V291-L295 PolarHBondContact O-N 3.29Å |
| 292 | L | 87.6 | Confident | 82.7 | Confident | 95 Ų | 95 | 36.2 Ų | 36.2 | 50% | 0.497 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.6 | -36.4 | 178.4 | -73.6 | -172.2 | 0 | 0 | 0 | 113 | F288 V289 F290 P296 | F288-L292 HydrophobicContact CD1-CD1 3.89Å; F288-L292 HydrophobicContact CD1-CG 4.48Å; F288-L292 HydrophobicContact CD2-CG 4.5Å; F288-L292 HydrophobicContact CE1-CD1 3.27Å; F288-L292 HydrophobicContact CE1-CG 4.19Å; F288-L292 HydrophobicContact CE2-CD1 3.97Å; F288-L292 HydrophobicContact CE2-CG 4.19Å; F288-L292 HydrophobicContact CG-CD1 4.49Å; F288-L292 HydrophobicContact CZ-CD1 3.33Å; F288-L292 HydrophobicContact CZ-CG 4.06Å; F288-L292 WeakPolarHBondContact O-CB 3.27Å; F288-L292 WeakPolarHBondContact O-CG 3.38Å; F288-L292 PolarHBondContact O-N 2.96Å; V289-L292 PolarHBondContact O-N 3.25Å; F290-L292 PolarHBondContact O-N 3.06Å; L292-P296 WeakPolarHBondContact O-CD 3.19Å |
| 293 | S | 87.9 | Confident | 82.8 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -72.1 | -36 | 179.3 | 66.7 | 0 | 0 | 0 | 0 | 112.8 | V289 F290 V291 A333 H336 | V289-S293 VanDerWaalsContact O-CB 3.28Å; V289-S293 WeakPolarHBondContact O-CB 3.43Å; V289-S293 PolarHBondContact O-N 3.3Å; V289-S293 PolarHBondContact O-OG 2.95Å; V289-S293 VanDerWaalsContact O-OG 3.08Å; F290-S293 PolarHBondContact O-N 3.07Å; F290-S293 PolarHBondContact O-OG 3.28Å; V291-S293 VanDerWaalsContact C-N 3.31Å; V291-S293 PolarHBondContact O-N 3.5Å; S293-A333 VanDerWaalsContact O-CA 3.29Å; S293-A333 WeakPolarHBondContact O-CA 3.11Å; S293-A333 PolarHBondContact O-N 3.07Å; S293-H336 WeakPolarHBondContact OG-CB 3.22Å |
| 294 | Q | 87.1 | Confident | 82.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -90 | -31.8 | -173.4 | -63.7 | -55.3 | -34.7 | 0 | 0 | 113.6 | Y152 F156 F250 F290 V291 H297 N298 A333 H336 | Y152-Q294 PolarHBondContact OH-OE1 3.1Å; F156-Q294 HydrophobicContact CD2-CB 4.46Å; F156-Q294 HydrophobicContact CD2-CG 4Å; F156-Q294 HydrophobicContact CE2-CB 3.84Å; F156-Q294 HydrophobicContact CE2-CG 3.81Å; F250-Q294 HydrophobicContact CE2-CB 4.32Å; F290-Q294 HydrophobicContact CD1-CG 4.14Å; F290-Q294 HydrophobicContact CD2-CG 4.3Å; F290-Q294 HydrophobicContact CE1-CG 3.83Å; F290-Q294 HydrophobicContact CE2-CG 4.02Å; F290-Q294 HydrophobicContact CG-CG 4.37Å; F290-Q294 HydrophobicContact CZ-CG 3.78Å; F290-Q294 WeakPolarHBondContact O-CB 3.41Å; F290-Q294 VanDerWaalsContact O-CG 3.28Å; F290-Q294 WeakPolarHBondContact O-CG 3.38Å; F290-Q294 PolarHBondContact O-N 3.31Å; V291-Q294 PolarHBondContact O-N 3.3Å; Q294-H297 PolarHBondContact O-N 3.42Å; Q294-N298 PolarHBondContact O-N 2.97Å; Q294-N298 VanDerWaalsContact O-N 3.13Å; Q294-N298 PolarHBondContact O-ND2 3.39Å; Q294-A333 PolarHBondContact NE2-O 2.84Å; Q294-H336 VanDerWaalsContact NE2-CG 3.35Å; Q294-H336 PolarHBondContact NE2-ND1 3.12Å |
| 295 | L | 85.3 | Confident | 81.9 | Confident | 78 Ų | 78 | 38.2 Ų | 38.2 | 41% | 0.408 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -58.2 | -48.5 | -173.9 | -174.4 | 150.9 | 0 | 0 | 0 | 112.8 | F250 V291 H297 N298 T299 | F250-L295 HydrophobicContact CE1-CD1 4.13Å; F250-L295 HydrophobicContact CE1-CG 4.44Å; F250-L295 HydrophobicContact CZ-CB 3.93Å; F250-L295 HydrophobicContact CZ-CD1 4.05Å; F250-L295 HydrophobicContact CZ-CG 4.27Å; V291-L295 WeakPolarHBondContact O-CB 3.43Å; V291-L295 PolarHBondContact O-N 3.29Å; L295-H297 VanDerWaalsContact C-N 3.32Å; L295-H297 PolarHBondContact O-N 2.98Å; L295-N298 PolarHBondContact O-N 3.17Å; L295-T299 PolarHBondContact O-N 3.19Å; L295-T299 PolarHBondContact O-OG1 2.73Å; L295-T299 VanDerWaalsContact O-OG1 3.07Å |
| 296 | P | 86.6 | Confident | 81.3 | Confident | 44 Ų | 44 | 39.4 Ų | 39.4 | 29% | 0.286 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -58.1 | -43.5 | -177.8 | -26.2 | 36.8 | 0 | 0 | 0 | 112.9 | L292 T299 L300 A329 L332 | L292-P296 WeakPolarHBondContact O-CD 3.19Å; P296-T299 PolarHBondContact O-N 3.42Å; P296-L300 WeakPolarHBondContact O-CG 3.46Å; P296-L300 PolarHBondContact O-N 2.89Å; P296-A329 HydrophobicContact CB-CB 3.97Å; P296-L332 HydrophobicContact CG-CD2 4.11Å |
| 297 | H | 84.8 | Confident | 80.5 | Confident | 19 Ų | 19 | 41.4 Ų | 41.4 | 9% | 0.088 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.6 | -45.7 | -179.5 | -177.5 | 61.6 | 0 | 0 | 0 | 111.9 | Y152 Q294 L295 T299 L300 L301 A329 A333 | Y152-H297 PolarHBondContact OH-CD2 3.5Å; Q294-H297 PolarHBondContact O-N 3.42Å; L295-H297 VanDerWaalsContact C-N 3.32Å; L295-H297 PolarHBondContact O-N 2.98Å; H297-T299 VanDerWaalsContact C-N 3.32Å; H297-T299 PolarHBondContact O-N 3.31Å; H297-L300 PolarHBondContact O-N 2.8Å; H297-L301 WeakPolarHBondContact O-CG 3.06Å; H297-L301 PolarHBondContact O-N 3.04Å; H297-A329 HydrophobicContact CB-CB 4.19Å; H297-A333 HydrophobicContact CB-CB 3.89Å |
| 298 | N | 83.2 | Confident | 79.5 | Confident | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.043 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.5 | -35.5 | 179.2 | -74.5 | -77.3 | 0 | 0 | 0 | 112.2 | I246 Q294 L295 I302 | I246-N298 HydrophobicContact CD1-CB 4.33Å; I246-N298 WeakPolarHBondContact CD1-O 3.49Å; I246-N298 HydrophobicContact CG1-CB 4.44Å; Q294-N298 PolarHBondContact O-N 2.97Å; Q294-N298 VanDerWaalsContact O-N 3.13Å; Q294-N298 PolarHBondContact O-ND2 3.39Å; L295-N298 PolarHBondContact O-N 3.17Å; N298-I302 PolarHBondContact O-N 2.95Å |
| 299 | T | 80.3 | Confident | 78.5 | Confident | 70 Ų | 70 | 37 Ų | 37 | 43% | 0.429 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.8 | -44.9 | 174.2 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | L295 P296 H297 L301 I302 V303 | L295-T299 PolarHBondContact O-N 3.19Å; L295-T299 PolarHBondContact O-OG1 2.73Å; L295-T299 VanDerWaalsContact O-OG1 3.07Å; P296-T299 PolarHBondContact O-N 3.42Å; H297-T299 VanDerWaalsContact C-N 3.32Å; H297-T299 PolarHBondContact O-N 3.31Å; T299-L301 VanDerWaalsContact C-N 3.34Å; T299-L301 PolarHBondContact O-N 2.87Å; T299-I302 WeakPolarHBondContact O-CB 3.08Å; T299-I302 PolarHBondContact O-N 2.93Å; T299-I302 VanDerWaalsContact O-N 3.14Å; T299-V303 WeakPolarHBondContact O-CG2 3.28Å; T299-V303 PolarHBondContact O-N 2.61Å; T299-V303 VanDerWaalsContact O-N 3.09Å |
| 300 | L | 81.6 | Confident | 77.4 | Confident | 31 Ų | 31 | 40.6 Ų | 40.6 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.5 | -37 | 179.6 | -75.6 | 166 | 0 | 0 | 0 | 112.6 | P296 H297 I302 V303 E304 V322 A325 A329 | P296-L300 WeakPolarHBondContact O-CG 3.46Å; P296-L300 PolarHBondContact O-N 2.89Å; H297-L300 PolarHBondContact O-N 2.8Å; L300-I302 VanDerWaalsContact C-N 3.28Å; L300-I302 PolarHBondContact O-N 3.5Å; L300-V303 WeakPolarHBondContact O-CB 3.33Å; L300-V303 PolarHBondContact O-N 2.83Å; L300-E304 WeakPolarHBondContact O-CG 3.48Å; L300-E304 PolarHBondContact O-N 2.85Å; L300-V322 HydrophobicContact CD2-CG1 4.48Å; L300-A325 HydrophobicContact CD1-CB 4.3Å; L300-A329 HydrophobicContact CD1-CB 3.53Å |
| 301 | L | 75.5 | Confident | 76.4 | Confident | 35 Ų | 35 | 45.9 Ų | 45.9 | 18% | 0.183 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.4 | -37.7 | 172.7 | -74.7 | 178.2 | 0 | 0 | 0 | 112.7 | L242 H297 T299 A305 | L242-L301 HydrophobicContact CD2-CB 3.98Å; L242-L301 WeakPolarHBondContact CD2-O 3.26Å; H297-L301 WeakPolarHBondContact O-CG 3.06Å; H297-L301 PolarHBondContact O-N 3.04Å; T299-L301 VanDerWaalsContact C-N 3.34Å; T299-L301 PolarHBondContact O-N 2.87Å; L301-A305 WeakPolarHBondContact O-CB 3.16Å; L301-A305 PolarHBondContact O-N 2.78Å; L301-A305 VanDerWaalsContact O-N 3.07Å |
| 302 | I | 73.4 | Confident | 75.2 | Confident | 64 Ų | 64 | 49 Ų | 49 | 33% | 0.328 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66 | -46.7 | 173.2 | -61.4 | 175.5 | 0 | 0 | 0 | 110 | I246 N298 T299 L300 E304 A305 T306 | I246-I302 HydrophobicContact CD1-CD1 3.38Å; I246-I302 HydrophobicContact CD1-CG1 3.21Å; I246-I302 HydrophobicContact CG2-CD1 4.34Å; N298-I302 PolarHBondContact O-N 2.95Å; T299-I302 WeakPolarHBondContact O-CB 3.08Å; T299-I302 PolarHBondContact O-N 2.93Å; T299-I302 VanDerWaalsContact O-N 3.14Å; L300-I302 VanDerWaalsContact C-N 3.28Å; L300-I302 PolarHBondContact O-N 3.5Å; I302-E304 VanDerWaalsContact C-N 3.32Å; I302-E304 PolarHBondContact O-N 2.03Å; I302-A305 CarbonylContact O-C 3.59Å; I302-A305 WeakPolarHBondContact O-CA 3.5Å; I302-A305 WeakPolarHBondContact O-CB 3.25Å; I302-A305 PolarHBondContact O-N 2.94Å; I302-T306 HydrophobicContact CG2-CG2 3.99Å; I302-T306 WeakPolarHBondContact O-CG2 3.4Å; I302-T306 PolarHBondContact O-N 3.03Å; I302-T306 PolarHBondContact O-OG1 3.03Å |
| 303 | V | 74.8 | Confident | 73.9 | Confident | 47 Ų | 47 | 46.9 Ų | 46.9 | 29% | 0.285 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.7 | -51.5 | -179.7 | 175.5 | 0 | 0 | 0 | 0 | 109.2 | T299 L300 A305 T306 Q307 | T299-V303 WeakPolarHBondContact O-CG2 3.28Å; T299-V303 PolarHBondContact O-N 2.61Å; T299-V303 VanDerWaalsContact O-N 3.09Å; L300-V303 WeakPolarHBondContact O-CB 3.33Å; L300-V303 PolarHBondContact O-N 2.83Å; V303-A305 VanDerWaalsContact C-N 3.29Å; V303-A305 PolarHBondContact O-N 2.81Å; V303-T306 WeakPolarHBondContact CA-OG1 3.24Å; V303-T306 PolarHBondContact O-N 3.23Å; V303-T306 VanDerWaalsContact O-N 3.08Å; V303-T306 PolarHBondContact O-OG1 3.38Å; V303-Q307 HydrophobicContact CG1-CG 4.12Å; V303-Q307 WeakPolarHBondContact O-CB 3.25Å; V303-Q307 VanDerWaalsContact O-CG 3.24Å; V303-Q307 WeakPolarHBondContact O-CG 3.27Å; V303-Q307 PolarHBondContact O-N 2.98Å |
| 304 | E | 70.9 | Confident | 72.8 | Confident | 74 Ų | 74 | 52.7 Ų | 52.7 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.3 | -39.3 | 175.3 | -71.5 | 176.3 | -166.1 | 0 | 0 | 113.4 | L300 I302 A308 | L300-E304 WeakPolarHBondContact O-CG 3.48Å; L300-E304 PolarHBondContact O-N 2.85Å; I302-E304 VanDerWaalsContact C-N 3.32Å; I302-E304 PolarHBondContact O-N 2.03Å; E304-A308 WeakPolarHBondContact O-CB 3.5Å; E304-A308 PolarHBondContact O-N 3.36Å |
| 305 | A | 67.9 | Low | 72.2 | Confident | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.017 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.7 | -39.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K238 I239 L242 L301 I302 V303 A309 | K238-A305 HydrophobicContact CD-CB 4.24Å; K238-A305 HydrophobicContact CG-CB 4.06Å; I239-A305 HydrophobicContact CG1-CB 4.14Å; L242-A305 HydrophobicContact CD2-CB 3.77Å; L301-A305 WeakPolarHBondContact O-CB 3.16Å; L301-A305 PolarHBondContact O-N 2.78Å; L301-A305 VanDerWaalsContact O-N 3.07Å; I302-A305 CarbonylContact O-C 3.59Å; I302-A305 WeakPolarHBondContact O-CA 3.5Å; I302-A305 WeakPolarHBondContact O-CB 3.25Å; I302-A305 PolarHBondContact O-N 2.94Å; V303-A305 VanDerWaalsContact C-N 3.29Å; V303-A305 PolarHBondContact O-N 2.81Å; A305-A309 PolarHBondContact O-N 2.78Å |
| 306 | T | 68.4 | Low | 71.7 | Confident | 51 Ų | 51 | 55.9 Ų | 55.9 | 31% | 0.313 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -71.4 | -38.2 | 177.1 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | I302 V303 A309 N310 | I302-T306 HydrophobicContact CG2-CG2 3.99Å; I302-T306 WeakPolarHBondContact O-CG2 3.4Å; I302-T306 PolarHBondContact O-N 3.03Å; I302-T306 PolarHBondContact O-OG1 3.03Å; V303-T306 WeakPolarHBondContact CA-OG1 3.24Å; V303-T306 PolarHBondContact O-N 3.23Å; V303-T306 VanDerWaalsContact O-N 3.08Å; V303-T306 PolarHBondContact O-OG1 3.38Å; T306-A309 PolarHBondContact O-N 3.13Å; T306-A309 VanDerWaalsContact O-N 3.13Å; T306-N310 PolarHBondContact O-N 3.46Å |
| 307 | Q | 68.1 | Low | 71.1 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 174.1 | -71.3 | -56.9 | -37 | 0 | 0 | 111.3 | V303 A309 T311 T312 I313 | V303-Q307 HydrophobicContact CG1-CG 4.12Å; V303-Q307 WeakPolarHBondContact O-CB 3.25Å; V303-Q307 VanDerWaalsContact O-CG 3.24Å; V303-Q307 WeakPolarHBondContact O-CG 3.27Å; V303-Q307 PolarHBondContact O-N 2.98Å; Q307-A309 PolarHBondContact O-N 3.29Å; Q307-T311 WeakPolarHBondContact O-CA 3.46Å; Q307-T311 PolarHBondContact O-N 3.48Å; Q307-T312 VanDerWaalsContact CD-OG1 3.3Å; Q307-T312 PolarHBondContact NE2-OG1 3.12Å; Q307-T312 PolarHBondContact OE1-OG1 3.41Å; Q307-T312 VanDerWaalsContact OE1-OG1 3.11Å; Q307-I313 VanDerWaalsContact CD-CG1 3.42Å; Q307-I313 HydrophobicContact CG-CD1 3.95Å; Q307-I313 HydrophobicContact CG-CG1 4.48Å; Q307-I313 VanDerWaalsContact NE2-CG1 3.33Å; Q307-I313 VanDerWaalsContact OE1-CB 3.26Å; Q307-I313 VanDerWaalsContact OE1-CG1 3.25Å |
| 308 | A | 62.3 | Low | 70.7 | Confident | 41 Ų | 41 | 58.1 Ų | 58.1 | 34% | 0.339 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62 | -24.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | N235 E304 | N235-A308 PolarHBondContact ND2-O 2.95Å; E304-A308 WeakPolarHBondContact O-CB 3.5Å; E304-A308 PolarHBondContact O-N 3.36Å |
| 309 | A | 63.3 | Low | 70.4 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 10% | 0.099 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -92.7 | -36.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F234 N235 I239 A305 T306 Q307 | F234-A309 VanDerWaalsContact O-CB 3.3Å; F234-A309 WeakPolarHBondContact O-CB 3.46Å; N235-A309 HydrophobicContact CB-CB 4.09Å; I239-A309 HydrophobicContact CD1-CB 3.29Å; I239-A309 HydrophobicContact CG1-CB 4.41Å; A305-A309 PolarHBondContact O-N 2.78Å; T306-A309 PolarHBondContact O-N 3.13Å; T306-A309 VanDerWaalsContact O-N 3.13Å; Q307-A309 PolarHBondContact O-N 3.29Å |
| 310 | N | 64.6 | Low | 70.2 | Confident | 112 Ų | 112 | 56.3 Ų | 56.3 | 60% | 0.599 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -111 | -3.3 | -172.8 | -81 | 9.5 | 0 | 0 | 0 | 114.2 | T306 T312 | T306-N310 PolarHBondContact O-N 3.46Å; N310-T312 HydrophobicContact CB-CG2 4.02Å; N310-T312 PolarHBondContact O-N 3.46Å |
| 311 | T | 65.1 | Low | 70.2 | Confident | 112 Ų | 112 | 61.1 Ų | 61.1 | 69% | 0.687 | 36% | 0.356 | S | S | * | . | trans | 43.6 | 50.2 | -177.8 | 52 | 0 | 0 | 0 | 0 | 111.9 | Q307 | Q307-T311 WeakPolarHBondContact O-CA 3.46Å; Q307-T311 PolarHBondContact O-N 3.48Å | ||
| 312 | T | 59.8 | Low | 70.4 | Confident | 88 Ų | 88 | 61 Ų | 61 | 54% | 0.54 | 36% | 0.357 | S | S | . | . | trans | -86.8 | -24.8 | -168.6 | 18.8 | 0 | 0 | 0 | 0 | 113.7 | Q307 N310 | Q307-T312 VanDerWaalsContact CD-OG1 3.3Å; Q307-T312 PolarHBondContact NE2-OG1 3.12Å; Q307-T312 PolarHBondContact OE1-OG1 3.41Å; Q307-T312 VanDerWaalsContact OE1-OG1 3.11Å; N310-T312 HydrophobicContact CB-CG2 4.02Å; N310-T312 PolarHBondContact O-N 3.46Å | ||
| 313 | I | 60.9 | Low | 70.7 | Confident | 51 Ų | 51 | 59.7 Ų | 59.7 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | trans | -108.9 | 110.1 | 175.4 | -62.1 | 167.2 | 0 | 0 | 0 | 107.9 | Q307 V318 V319 | Q307-I313 VanDerWaalsContact CD-CG1 3.42Å; Q307-I313 HydrophobicContact CG-CD1 3.95Å; Q307-I313 HydrophobicContact CG-CG1 4.48Å; Q307-I313 VanDerWaalsContact NE2-CG1 3.33Å; Q307-I313 VanDerWaalsContact OE1-CB 3.26Å; Q307-I313 VanDerWaalsContact OE1-CG1 3.25Å; I313-V318 HydrophobicContact CD1-CG1 4.19Å; I313-V318 HydrophobicContact CG1-CG1 4.48Å; I313-V318 HydrophobicContact CG2-CB 3.84Å; I313-V318 HydrophobicContact CG2-CG1 3.71Å; I313-V319 HydrophobicContact CG2-CG2 3.67Å | ||
| 314 | T | 63.9 | Low | 71.1 | Confident | 126 Ų | 126 | 58.4 Ų | 58.4 | 77% | 0.773 | 34% | 0.342 | S | S | * | . | trans | -105 | -12.8 | 175 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | C316 | T314-C316 PolarHBondContact O-N 3.26Š| ||
| 315 | D | 75.1 | Confident | 71.8 | Confident | 89 Ų | 89 | 56.9 Ų | 56.9 | 48% | 0.476 | 34% | 0.342 | S | S | . | . | trans | -77.8 | 117.1 | -179.8 | -172.9 | -22.2 | 0 | 0 | 0 | 111.2 | A317 V318 V319 | D315-A317 VanDerWaalsContact C-N 3.28Å; D315-A317 PolarHBondContact O-N 3.45Å; D315-A317 WeakPolarHBondContact OD1-CB 3.45Å; D315-A317 PolarHBondContact OD1-N 3.4Å; D315-V318 HydrophobicContact CB-CB 4.2Å; D315-V318 HydrophobicContact CB-CG2 3.91Å; D315-V318 PolarHBondContact O-N 3.17Å; D315-V318 VanDerWaalsContact O-N 3.15Å; D315-V319 WeakPolarHBondContact O-CG2 3.44Å; D315-V319 PolarHBondContact O-N 3.31Å | ||
| 316 | C | 75.4 | Confident | 72.6 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 38% | 0.378 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.7 | -34.6 | 179.3 | -71.6 | 0 | 0 | 0 | 0 | 113.5 | C63 T314 V318 V319 S320 | C63-C316 VanDerWaalsContact CA-SG 3.52Å; C63-C316 HydrophobicContact CB-CB 3.64Å; C63-C316 WeakPolarHBondContact CB-SG 3.05Å; C63-C316 WeakPolarHBondContact SG-CA 3.5Å; C63-C316 WeakPolarHBondContact SG-CB 3.45Å; C63-C316 CovalentContact SG-SG 2.04Å; C63-C316 PolarHBondContact SG-SG 3.43Å; T314-C316 PolarHBondContact O-N 3.26Å; C316-V318 VanDerWaalsContact C-N 3.33Å; C316-V318 PolarHBondContact O-N 2.89Å; C316-V319 PolarHBondContact O-N 3.46Å; C316-S320 VanDerWaalsContact O-CB 3.25Å; C316-S320 WeakPolarHBondContact O-CB 3.17Å; C316-S320 PolarHBondContact O-N 3.33Å |
| 317 | A | 74.2 | Confident | 73.4 | Confident | 56 Ų | 56 | 55.6 Ų | 55.6 | 46% | 0.463 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.5 | -40.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | D315 Q321 | D315-A317 VanDerWaalsContact C-N 3.28Å; D315-A317 PolarHBondContact O-N 3.45Å; D315-A317 WeakPolarHBondContact OD1-CB 3.45Å; D315-A317 PolarHBondContact OD1-N 3.4Å; A317-Q321 VanDerWaalsContact O-CG 3.32Å; A317-Q321 WeakPolarHBondContact O-CG 3.44Å; A317-Q321 PolarHBondContact O-N 3.06Å; A317-Q321 VanDerWaalsContact O-N 3.08Å |
| 318 | V | 76.9 | Confident | 74.4 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 32% | 0.321 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.2 | -43.8 | 178.5 | -178.7 | 0 | 0 | 0 | 0 | 111 | I313 D315 C316 S320 Q321 V322 | I313-V318 HydrophobicContact CD1-CG1 4.19Å; I313-V318 HydrophobicContact CG1-CG1 4.48Å; I313-V318 HydrophobicContact CG2-CB 3.84Å; I313-V318 HydrophobicContact CG2-CG1 3.71Å; D315-V318 HydrophobicContact CB-CB 4.2Å; D315-V318 HydrophobicContact CB-CG2 3.91Å; D315-V318 PolarHBondContact O-N 3.17Å; D315-V318 VanDerWaalsContact O-N 3.15Å; C316-V318 VanDerWaalsContact C-N 3.33Å; C316-V318 PolarHBondContact O-N 2.89Å; V318-S320 VanDerWaalsContact C-N 3.28Å; V318-S320 PolarHBondContact O-N 3.35Å; V318-Q321 PolarHBondContact O-N 3.02Å; V318-V322 HydrophobicContact CG1-CG2 4.43Å; V318-V322 VanDerWaalsContact O-CG2 3.27Å; V318-V322 WeakPolarHBondContact O-CG2 3.38Å; V318-V322 PolarHBondContact O-N 2.86Å |
| 319 | V | 75.9 | Confident | 75.6 | Confident | 30 Ų | 30 | 55.6 Ų | 55.6 | 18% | 0.182 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57 | -45.3 | 175.5 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | I313 D315 C316 V322 D323 | I313-V319 HydrophobicContact CG2-CG2 3.67Å; D315-V319 WeakPolarHBondContact O-CG2 3.44Å; D315-V319 PolarHBondContact O-N 3.31Å; C316-V319 PolarHBondContact O-N 3.46Å; V319-V322 PolarHBondContact O-N 3.5Å; V319-D323 PolarHBondContact O-N 2.99Å |
| 320 | S | 76.1 | Confident | 76.8 | Confident | 10 Ų | 10 | 56.4 Ų | 56.4 | 7% | 0.07 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.4 | -39.6 | -177.9 | -156.5 | 0 | 0 | 0 | 0 | 112.8 | W67 V68 C316 V318 D323 V324 | W67-S320 WeakPolarHBondContact CZ2-OG 3.47Å; W67-S320 PolarHBondContact NE1-OG 3.49Å; V68-S320 WeakPolarHBondContact CG2-OG 3.33Å; C316-S320 VanDerWaalsContact O-CB 3.25Å; C316-S320 WeakPolarHBondContact O-CB 3.17Å; C316-S320 PolarHBondContact O-N 3.33Å; V318-S320 VanDerWaalsContact C-N 3.28Å; V318-S320 PolarHBondContact O-N 3.35Å; S320-D323 PolarHBondContact O-N 3.01Å; S320-V324 PolarHBondContact O-N 3.33Å; S320-V324 VanDerWaalsContact O-N 3.15Å |
| 321 | Q | 81.4 | Confident | 78.1 | Confident | 133 Ų | 133 | 51.2 Ų | 51.2 | 62% | 0.621 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -65.1 | -39.1 | 172.8 | -73.4 | 177 | 4.7 | 0 | 0 | 112.6 | A317 V318 V324 A325 | A317-Q321 VanDerWaalsContact O-CG 3.32Å; A317-Q321 WeakPolarHBondContact O-CG 3.44Å; A317-Q321 PolarHBondContact O-N 3.06Å; A317-Q321 VanDerWaalsContact O-N 3.08Å; V318-Q321 PolarHBondContact O-N 3.02Å; Q321-V324 PolarHBondContact O-N 2.97Å; Q321-A325 WeakPolarHBondContact O-CB 3.29Å; Q321-A325 PolarHBondContact O-N 3.14Å |
| 322 | V | 80.3 | Confident | 79.3 | Confident | 33 Ų | 33 | 49.6 Ų | 49.6 | 20% | 0.2 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 176.5 | 171 | 0 | 0 | 0 | 0 | 110.9 | L300 V318 V319 A325 G326 | L300-V322 HydrophobicContact CD2-CG1 4.48Å; V318-V322 HydrophobicContact CG1-CG2 4.43Å; V318-V322 VanDerWaalsContact O-CG2 3.27Å; V318-V322 WeakPolarHBondContact O-CG2 3.38Å; V318-V322 PolarHBondContact O-N 2.86Å; V319-V322 PolarHBondContact O-N 3.5Å; V322-A325 PolarHBondContact O-N 3.09Å; V322-G326 PolarHBondContact O-N 3.29Å |
| 323 | D | 79.8 | Confident | 80.8 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 19% | 0.187 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.4 | -43.7 | 177.1 | -75.2 | -15.2 | 0 | 0 | 0 | 111.5 | R65 V68 V319 S320 G326 Q327 | R65-D323 IonicContact CZ-OD2 3.34Å; R65-D323 IonicContact NH1-OD1 3.99Å; R65-D323 IonicContact NH1-OD2 2.77Å; R65-D323 PolarHBondContact NH1-OD2 3.38Å; R65-D323 IonicContact NH2-OD2 3.77Å; V68-D323 HydrophobicContact CG1-CB 3.96Å; V319-D323 PolarHBondContact O-N 2.99Å; S320-D323 PolarHBondContact O-N 3.01Å; D323-G326 PolarHBondContact O-N 2.77Å; D323-Q327 WeakPolarHBondContact O-CG 3.49Å; D323-Q327 PolarHBondContact O-N 3.06Å |
| 324 | V | 83.3 | Confident | 82.2 | Confident | 20 Ų | 20 | 43 Ų | 43 | 12% | 0.121 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -42.8 | 175.1 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | W67 V68 F71 S320 Q321 G326 Q327 I328 | W67-V324 HydrophobicContact CH2-CB 4.44Å; W67-V324 HydrophobicContact CH2-CG2 3.44Å; W67-V324 VanDerWaalsContact CH2-CG2 3.44Å; W67-V324 HydrophobicContact CZ2-CG2 4.23Å; W67-V324 HydrophobicContact CZ3-CG2 3.66Å; V68-V324 HydrophobicContact CB-CG2 4.41Å; V68-V324 HydrophobicContact CG1-CG2 3.97Å; V68-V324 HydrophobicContact CG2-CG2 4.06Å; F71-V324 HydrophobicContact CD1-CG1 4.33Å; F71-V324 HydrophobicContact CE1-CG1 4.08Å; S320-V324 PolarHBondContact O-N 3.33Å; S320-V324 VanDerWaalsContact O-N 3.15Å; Q321-V324 PolarHBondContact O-N 2.97Å; V324-G326 PolarHBondContact O-N 3.15Å; V324-Q327 PolarHBondContact O-N 3.08Å; V324-I328 HydrophobicContact CG1-CD1 3.98Å; V324-I328 WeakPolarHBondContact O-CG1 3.3Å; V324-I328 PolarHBondContact O-N 3.46Å |
| 325 | A | 85.7 | Confident | 83.5 | Confident | 42 Ų | 42 | 38.9 Ų | 38.9 | 35% | 0.347 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.7 | -37.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L300 Q321 V322 I328 A329 | L300-A325 HydrophobicContact CD1-CB 4.3Å; Q321-A325 WeakPolarHBondContact O-CB 3.29Å; Q321-A325 PolarHBondContact O-N 3.14Å; V322-A325 PolarHBondContact O-N 3.09Å; A325-I328 PolarHBondContact O-N 3.44Å; A325-A329 WeakPolarHBondContact O-CB 3.5Å; A325-A329 PolarHBondContact O-N 3.13Å |
| 326 | G | 84 | Confident | 84.2 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 9% | 0.093 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | V322 D323 V324 A329 K330 | V322-G326 PolarHBondContact O-N 3.29Å; D323-G326 PolarHBondContact O-N 2.77Å; V324-G326 PolarHBondContact O-N 3.15Å; G326-A329 PolarHBondContact O-N 2.89Å; G326-K330 VanDerWaalsContact O-CB 3.31Å; G326-K330 WeakPolarHBondContact O-CB 3.27Å; G326-K330 PolarHBondContact O-N 3.41Å |
| 327 | Q | 85.8 | Confident | 84.9 | Confident | 18 Ų | 18 | 32 Ų | 32 | 8% | 0.084 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.1 | -44.4 | 177.4 | -66.7 | 173.5 | 24.8 | 0 | 0 | 112.4 | V68 R72 D323 V324 K330 S331 | V68-Q327 PolarHBondContact O-NE2 3.33Å; R72-Q327 VanDerWaalsContact CB-OE1 3.29Å; R72-Q327 HydrophobicContact CG-CG 4.42Å; D323-Q327 WeakPolarHBondContact O-CG 3.49Å; D323-Q327 PolarHBondContact O-N 3.06Å; V324-Q327 PolarHBondContact O-N 3.08Å; Q327-K330 PolarHBondContact O-N 3.07Å; Q327-S331 WeakPolarHBondContact O-CB 3.02Å; Q327-S331 PolarHBondContact O-N 3.14Å; Q327-S331 PolarHBondContact O-OG 3.27Å |
| 328 | I | 88 | Confident | 85.6 | Confident | 77 Ų | 77 | 29.8 Ų | 29.8 | 40% | 0.395 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 177.5 | -65.3 | 170.1 | 0 | 0 | 0 | 110.2 | V324 A325 K330 S331 L332 | V324-I328 HydrophobicContact CG1-CD1 3.98Å; V324-I328 WeakPolarHBondContact O-CG1 3.3Å; V324-I328 PolarHBondContact O-N 3.46Å; A325-I328 PolarHBondContact O-N 3.44Å; I328-K330 PolarHBondContact O-N 3.32Å; I328-S331 PolarHBondContact O-N 3.32Å; I328-L332 WeakPolarHBondContact O-CB 3.15Å; I328-L332 PolarHBondContact O-N 2.91Å |
| 329 | A | 89.3 | Confident | 85.9 | Confident | 6 Ų | 6 | 30 Ų | 30 | 5% | 0.05 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.5 | -40 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P296 H297 L300 A325 G326 L332 A333 | P296-A329 HydrophobicContact CB-CB 3.97Å; H297-A329 HydrophobicContact CB-CB 4.19Å; L300-A329 HydrophobicContact CD1-CB 3.53Å; A325-A329 WeakPolarHBondContact O-CB 3.5Å; A325-A329 PolarHBondContact O-N 3.13Å; G326-A329 PolarHBondContact O-N 2.89Å; A329-L332 PolarHBondContact O-N 2.85Å; A329-A333 WeakPolarHBondContact O-CB 3.28Å; A329-A333 PolarHBondContact O-N 2.96Å |
| 330 | K | 88.2 | Confident | 86.3 | Confident | 28 Ų | 28 | 28.6 Ų | 28.6 | 12% | 0.122 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.3 | -47 | 173.4 | -177.1 | -176.9 | 179.3 | -177 | 0 | 111.1 | G326 Q327 I328 L332 A333 F334 | G326-K330 VanDerWaalsContact O-CB 3.31Å; G326-K330 WeakPolarHBondContact O-CB 3.27Å; G326-K330 PolarHBondContact O-N 3.41Å; Q327-K330 PolarHBondContact O-N 3.07Å; I328-K330 PolarHBondContact O-N 3.32Å; K330-L332 VanDerWaalsContact C-N 3.34Å; K330-L332 PolarHBondContact O-N 3.47Å; K330-A333 WeakPolarHBondContact O-CB 3.3Å; K330-A333 PolarHBondContact O-N 3.03Å; K330-F334 HydrophobicContact CD-CE2 4.37Å; K330-F334 HydrophobicContact CD-CZ 4.2Å; K330-F334 HydrophobicContact CG-CE1 4Å; K330-F334 HydrophobicContact CG-CE2 4.03Å; K330-F334 HydrophobicContact CG-CZ 3.76Å; K330-F334 WeakPolarHBondContact O-CD1 3.08Å; K330-F334 WeakPolarHBondContact O-CG 3.48Å; K330-F334 PolarHBondContact O-N 2.95Å |
| 331 | S | 90.2 | Very high | 86.5 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 112.2 | Q327 I328 F334 T335 | Q327-S331 WeakPolarHBondContact O-CB 3.02Å; Q327-S331 PolarHBondContact O-N 3.14Å; Q327-S331 PolarHBondContact O-OG 3.27Å; I328-S331 PolarHBondContact O-N 3.32Å; S331-F334 PolarHBondContact O-N 2.95Å; S331-T335 PolarHBondContact O-N 3.4Å; S331-T335 VanDerWaalsContact O-N 3.08Å; S331-T335 PolarHBondContact O-OG1 2.98Å |
| 332 | L | 91.1 | Very high | 86.3 | Confident | 78 Ų | 78 | 25.7 Ų | 25.7 | 41% | 0.408 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 174.3 | -179.3 | 64.3 | 0 | 0 | 0 | 111.4 | P296 I328 A329 K330 F334 T335 | P296-L332 HydrophobicContact CG-CD2 4.11Å; I328-L332 WeakPolarHBondContact O-CB 3.15Å; I328-L332 PolarHBondContact O-N 2.91Å; A329-L332 PolarHBondContact O-N 2.85Å; K330-L332 VanDerWaalsContact C-N 3.34Å; K330-L332 PolarHBondContact O-N 3.47Å; L332-F334 VanDerWaalsContact C-N 3.29Å; L332-F334 PolarHBondContact O-N 2.88Å; L332-T335 WeakPolarHBondContact O-CB 3.45Å; L332-T335 PolarHBondContact O-N 3.4Å |
| 333 | A | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61 | -37 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | S293 Q294 H297 A329 K330 T335 H336 | S293-A333 VanDerWaalsContact O-CA 3.29Å; S293-A333 WeakPolarHBondContact O-CA 3.11Å; S293-A333 PolarHBondContact O-N 3.07Å; Q294-A333 PolarHBondContact NE2-O 2.84Å; H297-A333 HydrophobicContact CB-CB 3.89Å; A329-A333 WeakPolarHBondContact O-CB 3.28Å; A329-A333 PolarHBondContact O-N 2.96Å; K330-A333 WeakPolarHBondContact O-CB 3.3Å; K330-A333 PolarHBondContact O-N 3.03Å; A333-T335 VanDerWaalsContact C-N 3.35Å; A333-H336 PolarHBondContact O-ND1 3.3Å |
| 334 | F | 91.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 25 Ų | 25 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.1 | -30.6 | 178.5 | -69.1 | 0.3 | 0 | 0 | 0 | 112.7 | F80 I83 F123 L127 W130 Y152 K330 S331 L332 H336 A337 | F80-F334 HydrophobicContact CD1-CD2 4.13Å; F80-F334 AromaticContact CE1-CD2 3.58Å; F80-F334 HydrophobicContact CE1-CD2 3.58Å; F80-F334 HydrophobicContact CE1-CE2 4.17Å; F80-F334 HydrophobicContact CE2-CE2 4.45Å; F80-F334 AromaticContact CZ-CD2 3.84Å; F80-F334 HydrophobicContact CZ-CD2 3.84Å; F80-F334 AromaticContact CZ-CE2 3.94Å; F80-F334 HydrophobicContact CZ-CE2 3.94Å; I83-F334 HydrophobicContact CD1-CB 4.34Å; F123-F334 HydrophobicContact CE1-CB 4.29Å; F123-F334 HydrophobicContact CE1-CD1 4.4Å; F123-F334 HydrophobicContact CE1-CG 4.4Å; F123-F334 HydrophobicContact CE2-CD1 4.11Å; F123-F334 HydrophobicContact CE2-CE1 4.03Å; F123-F334 HydrophobicContact CE2-CG 4.49Å; F123-F334 HydrophobicContact CE2-CZ 4.33Å; F123-F334 HydrophobicContact CZ-CB 3.95Å; F123-F334 AromaticContact CZ-CD1 3.46Å; F123-F334 HydrophobicContact CZ-CD1 3.46Å; F123-F334 VanDerWaalsContact CZ-CD1 3.46Å; F123-F334 HydrophobicContact CZ-CD2 4.1Å; F123-F334 AromaticContact CZ-CE1 3.86Å; F123-F334 HydrophobicContact CZ-CE1 3.86Å; F123-F334 HydrophobicContact CZ-CE2 4.43Å; F123-F334 AromaticContact CZ-CG 3.58Å; F123-F334 HydrophobicContact CZ-CG 3.58Å; F123-F334 HydrophobicContact CZ-CZ 4.31Å; L127-F334 HydrophobicContact CD2-CB 4.34Å; L127-F334 HydrophobicContact CD2-CD2 3.5Å; L127-F334 VanDerWaalsContact CD2-CD2 3.5Å; L127-F334 HydrophobicContact CD2-CE2 3.97Å; L127-F334 HydrophobicContact CD2-CG 4.14Å; W130-F334 HydrophobicContact CG-CE2 4.22Å; Y152-F334 HydrophobicContact CD2-CD1 4.1Å; Y152-F334 AromaticContact CD2-CE1 3.55Å; Y152-F334 HydrophobicContact CD2-CE1 3.55Å; Y152-F334 HydrophobicContact CD2-CZ 4.46Å; Y152-F334 HydrophobicContact CE1-CE1 4.48Å; Y152-F334 AromaticContact CE2-CD1 3.82Å; Y152-F334 HydrophobicContact CE2-CD1 3.82Å; Y152-F334 AromaticContact CE2-CE1 3.49Å; Y152-F334 HydrophobicContact CE2-CE1 3.49Å; Y152-F334 VanDerWaalsContact CE2-CE1 3.49Å; Y152-F334 HydrophobicContact CG-CE1 4.12Å; Y152-F334 AromaticContact CZ-CE1 3.99Å; K330-F334 HydrophobicContact CD-CE2 4.37Å; K330-F334 HydrophobicContact CD-CZ 4.2Å; K330-F334 HydrophobicContact CG-CE1 4Å; K330-F334 HydrophobicContact CG-CE2 4.03Å; K330-F334 HydrophobicContact CG-CZ 3.76Å; K330-F334 WeakPolarHBondContact O-CD1 3.08Å; K330-F334 WeakPolarHBondContact O-CG 3.48Å; K330-F334 PolarHBondContact O-N 2.95Å; S331-F334 PolarHBondContact O-N 2.95Å; L332-F334 VanDerWaalsContact C-N 3.29Å; L332-F334 PolarHBondContact O-N 2.88Å; F334-H336 PolarHBondContact O-N 3.43Å; F334-H336 VanDerWaalsContact O-N 3.16Å; F334-A337 PolarHBondContact O-N 2.91Å |
| 335 | T | 90.6 | Very high | 85.1 | Confident | 39 Ų | 39 | 26 Ų | 26 | 24% | 0.239 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.6 | -24.1 | 179.8 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | I83 S331 L332 A333 A337 C338 L339 | I83-T335 WeakPolarHBondContact CD1-OG1 3.32Å; S331-T335 PolarHBondContact O-N 3.4Å; S331-T335 VanDerWaalsContact O-N 3.08Å; S331-T335 PolarHBondContact O-OG1 2.98Å; L332-T335 WeakPolarHBondContact O-CB 3.45Å; L332-T335 PolarHBondContact O-N 3.4Å; A333-T335 VanDerWaalsContact C-N 3.35Å; T335-A337 PolarHBondContact O-N 3.38Å; T335-A337 VanDerWaalsContact O-N 3.11Å; T335-C338 PolarHBondContact O-N 2.97Å; T335-C338 VanDerWaalsContact O-N 3.13Å; T335-C338 PolarHBondContact O-SG 3.33Å; T335-L339 HydrophobicContact CG2-CD1 3.99Å; T335-L339 HydrophobicContact CG2-CG 4.06Å; T335-L339 WeakPolarHBondContact O-CG 3.49Å; T335-L339 PolarHBondContact O-N 3.02Å |
| 336 | H | 90.8 | Very high | 84 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -54.3 | -36.1 | 178.5 | 90.3 | -78.7 | 0 | 0 | 0 | 113.3 | D120 N155 F290 S293 Q294 A333 F334 C338 L339 N340 | D120-H336 IonicContact OD1-NE2 2.91Å; N155-H336 PolarHBondContact ND2-CE1 2.96Å; N155-H336 PolarHBondContact ND2-NE2 3.4Å; F290-H336 HydrophobicContact CD2-CB 4.49Å; F290-H336 AromaticContact CD2-CD2 3.56Å; F290-H336 AromaticContact CE2-CD2 3.55Å; F290-H336 AromaticContact CE2-NE2 3.75Å; S293-H336 WeakPolarHBondContact OG-CB 3.22Å; Q294-H336 VanDerWaalsContact NE2-CG 3.35Å; Q294-H336 PolarHBondContact NE2-ND1 3.12Å; A333-H336 PolarHBondContact O-ND1 3.3Å; F334-H336 PolarHBondContact O-N 3.43Å; F334-H336 VanDerWaalsContact O-N 3.16Å; H336-C338 VanDerWaalsContact C-N 3.26Å; H336-C338 PolarHBondContact O-N 3.15Å; H336-L339 PolarHBondContact O-N 3.01Å; H336-N340 PolarHBondContact O-N 3.2Å |
| 337 | A | 89.4 | Confident | 83.1 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.2 | -28.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N91 D120 F123 L124 F334 T335 | N91-A337 PolarHBondContact ND2-O 2.97Å; D120-A337 HydrophobicContact CB-CB 4.34Å; F123-A337 HydrophobicContact CD1-CB 3.83Å; F123-A337 HydrophobicContact CE1-CB 4.02Å; L124-A337 HydrophobicContact CD2-CB 4.08Å; L124-A337 HydrophobicContact CG-CB 4.26Å; F334-A337 PolarHBondContact O-N 2.91Å; T335-A337 PolarHBondContact O-N 3.38Å; T335-A337 VanDerWaalsContact O-N 3.11Å |
| 338 | C | 88.3 | Confident | 82 | Confident | 9 Ų | 9 | 33.9 Ų | 33.9 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -88.8 | -26.9 | 175 | 72.8 | 0 | 0 | 0 | 0 | 112.8 | I83 L86 T335 H336 N340 F342 | I83-C338 HydrophobicContact CG2-CB 4.28Å; L86-C338 HydrophobicContact CB-CB 4.38Å; T335-C338 PolarHBondContact O-N 2.97Å; T335-C338 VanDerWaalsContact O-N 3.13Å; T335-C338 PolarHBondContact O-SG 3.33Å; H336-C338 VanDerWaalsContact C-N 3.26Å; H336-C338 PolarHBondContact O-N 3.15Å; C338-N340 PolarHBondContact O-N 3.12Å; C338-F342 WeakPolarHBondContact O-CD2 3.44Å |
| 339 | L | 85.1 | Confident | 80.8 | Confident | 57 Ų | 57 | 33.7 Ų | 33.7 | 30% | 0.298 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -70.2 | -30.9 | -178.7 | -66.5 | 175.4 | 0 | 0 | 0 | 113.3 | V289 T335 H336 F342 L343 | V289-L339 HydrophobicContact CG1-CB 4.17Å; V289-L339 HydrophobicContact CG1-CD1 3.49Å; V289-L339 VanDerWaalsContact CG1-CD1 3.49Å; V289-L339 HydrophobicContact CG1-CG 4.47Å; T335-L339 HydrophobicContact CG2-CD1 3.99Å; T335-L339 HydrophobicContact CG2-CG 4.06Å; T335-L339 WeakPolarHBondContact O-CG 3.49Å; T335-L339 PolarHBondContact O-N 3.02Å; H336-L339 PolarHBondContact O-N 3.01Å; L339-F342 PolarHBondContact O-N 2.82Å; L339-F342 VanDerWaalsContact O-N 3.15Å; L339-L343 WeakPolarHBondContact O-CG 3.03Å; L339-L343 PolarHBondContact O-N 2.66Å |
| 340 | N | 82.4 | Confident | 79.6 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.011 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -52 | -57.7 | -178.7 | -75.1 | -15.7 | 0 | 0 | 0 | 112.7 | D120 H336 C338 F342 L343 Y344 | D120-N340 PolarHBondContact OD2-ND2 2.81Å; H336-N340 PolarHBondContact O-N 3.2Å; C338-N340 PolarHBondContact O-N 3.12Å; N340-F342 PolarHBondContact O-N 3Å; N340-L343 PolarHBondContact O-N 2.04Å; N340-Y344 HydrophobicContact CB-CE2 4.29Å; N340-Y344 WeakPolarHBondContact O-CD2 3.31Å; N340-Y344 WeakPolarHBondContact O-CE2 3.41Å; N340-Y344 PolarHBondContact O-N 3.05Å |
| 341 | P | 81.6 | Confident | 78.5 | Confident | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.5 | -41.2 | 173.3 | -27.6 | 33.3 | 0 | 0 | 0 | 115.2 | G90 N91 V94 L343 Y344 V345 | G90-P341 VanDerWaalsContact C-CG 3.42Å; N91-P341 HydrophobicContact CB-CG 4.47Å; N91-P341 WeakPolarHBondContact OD1-CG 3.41Å; V94-P341 HydrophobicContact CG2-CB 4.38Å; V94-P341 HydrophobicContact CG2-CG 4.41Å; P341-L343 PolarHBondContact O-N 3.11Å; P341-Y344 PolarHBondContact O-N 3.35Å; P341-V345 WeakPolarHBondContact O-CG2 3.06Å; P341-V345 PolarHBondContact O-N 2.83Å |
| 342 | F | 77.4 | Confident | 77.6 | Confident | 76 Ų | 76 | 46.7 Ų | 46.7 | 33% | 0.333 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 179.1 | -74.1 | -66.9 | 0 | 0 | 0 | 111.2 | L86 C338 L339 N340 Y344 V345 F346 | L86-F342 HydrophobicContact CB-CE2 4.21Å; L86-F342 HydrophobicContact CB-CZ 4.35Å; L86-F342 HydrophobicContact CD1-CE2 4.42Å; L86-F342 HydrophobicContact CD1-CZ 4.35Å; L86-F342 HydrophobicContact CD2-CZ 4.34Å; C338-F342 WeakPolarHBondContact O-CD2 3.44Å; L339-F342 PolarHBondContact O-N 2.82Å; L339-F342 VanDerWaalsContact O-N 3.15Å; N340-F342 PolarHBondContact O-N 3Å; F342-Y344 VanDerWaalsContact C-N 3.27Å; F342-Y344 PolarHBondContact O-N 3.42Å; F342-V345 PolarHBondContact O-N 3.02Å; F342-V345 VanDerWaalsContact O-N 3.13Å; F342-F346 HydrophobicContact CB-CD2 4.1Å; F342-F346 HydrophobicContact CB-CE2 4.18Å; F342-F346 HydrophobicContact CD1-CD2 4.41Å; F342-F346 AromaticContact CD1-CE2 3.71Å; F342-F346 HydrophobicContact CD1-CE2 3.71Å; F342-F346 HydrophobicContact CG-CE2 4.37Å; F342-F346 WeakPolarHBondContact O-CD2 3.24Å; F342-F346 PolarHBondContact O-N 2.73Å |
| 343 | L | 74.6 | Confident | 76.7 | Confident | 28 Ų | 28 | 47.3 Ų | 47.3 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -37 | 176.9 | -67.2 | 171.8 | 0 | 0 | 0 | 111.7 | V286 V289 L339 N340 P341 I347 | V286-L343 HydrophobicContact CB-CD1 4.34Å; V286-L343 HydrophobicContact CG2-CB 3.9Å; V286-L343 HydrophobicContact CG2-CD1 3.77Å; V286-L343 HydrophobicContact CG2-CG 4.5Å; V289-L343 HydrophobicContact CB-CD1 4.1Å; V289-L343 HydrophobicContact CG1-CD1 4.29Å; V289-L343 HydrophobicContact CG2-CD1 4.09Å; L339-L343 WeakPolarHBondContact O-CG 3.03Å; L339-L343 PolarHBondContact O-N 2.66Å; N340-L343 PolarHBondContact O-N 2.04Å; P341-L343 PolarHBondContact O-N 3.11Å; L343-I347 HydrophobicContact CB-CD1 4.48Å; L343-I347 HydrophobicContact CD2-CD1 3.66Å; L343-I347 VanDerWaalsContact O-CB 3.27Å; L343-I347 WeakPolarHBondContact O-CB 3.46Å; L343-I347 PolarHBondContact O-N 3.29Å |
| 344 | Y | 73 | Confident | 75.7 | Confident | 24 Ų | 24 | 48.3 Ų | 48.3 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.3 | -38 | 174.4 | -56.8 | -37.3 | 0 | 0 | 0 | 113.1 | V94 L113 L116 V282 V286 N340 P341 F342 G348 | V94-Y344 HydrophobicContact CG2-CD2 4.36Å; L113-Y344 HydrophobicContact CD2-CE1 3.9Å; L113-Y344 HydrophobicContact CD2-CE2 4.28Å; L113-Y344 WeakPolarHBondContact CD2-OH 3.4Å; L116-Y344 VanDerWaalsContact CD2-OH 3.31Å; L116-Y344 WeakPolarHBondContact CD2-OH 3.42Å; V282-Y344 HydrophobicContact CG1-CD1 3.95Å; V282-Y344 HydrophobicContact CG1-CE1 4.41Å; V286-Y344 HydrophobicContact CG2-CD1 4.48Å; V286-Y344 HydrophobicContact CG2-CE1 3.86Å; N340-Y344 HydrophobicContact CB-CE2 4.29Å; N340-Y344 WeakPolarHBondContact O-CD2 3.31Å; N340-Y344 WeakPolarHBondContact O-CE2 3.41Å; N340-Y344 PolarHBondContact O-N 3.05Å; P341-Y344 PolarHBondContact O-N 3.35Å; F342-Y344 VanDerWaalsContact C-N 3.27Å; F342-Y344 PolarHBondContact O-N 3.42Å; Y344-G348 WeakPolarHBondContact O-CA 3.4Å; Y344-G348 PolarHBondContact O-N 3.08Å |
| 345 | V | 68.8 | Low | 74.9 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 26% | 0.261 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -74.5 | -45.9 | 179.9 | 174.1 | 0 | 0 | 0 | 0 | 112.1 | P341 F342 F351 L355 | P341-V345 WeakPolarHBondContact O-CG2 3.06Å; P341-V345 PolarHBondContact O-N 2.83Å; F342-V345 PolarHBondContact O-N 3.02Å; F342-V345 VanDerWaalsContact O-N 3.13Å; V345-F351 HydrophobicContact CB-CD1 4.49Å; V345-F351 HydrophobicContact CG2-CD1 3.61Å; V345-F351 HydrophobicContact CG2-CE1 3.47Å; V345-F351 VanDerWaalsContact CG2-CE1 3.47Å; V345-L355 HydrophobicContact CG2-CD1 4.19Å |
| 346 | F | 63.9 | Low | 74.2 | Confident | 163 Ų | 163 | 52.6 Ų | 52.6 | 72% | 0.715 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -78.7 | -36.8 | -174.3 | -72 | -67.1 | 0 | 0 | 0 | 112.8 | F342 | F342-F346 HydrophobicContact CB-CD2 4.1Å; F342-F346 HydrophobicContact CB-CE2 4.18Å; F342-F346 HydrophobicContact CD1-CD2 4.41Å; F342-F346 AromaticContact CD1-CE2 3.71Å; F342-F346 HydrophobicContact CD1-CE2 3.71Å; F342-F346 HydrophobicContact CG-CE2 4.37Å; F342-F346 WeakPolarHBondContact O-CD2 3.24Å; F342-F346 PolarHBondContact O-N 2.73Å |
| 347 | I | 63.9 | Low | 73.4 | Confident | 57 Ų | 57 | 59.7 Ų | 59.7 | 29% | 0.292 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -101.7 | -27.6 | -175.4 | -45.2 | 177.9 | 0 | 0 | 0 | 110.8 | V282 A285 L343 V349 | V282-I347 HydrophobicContact CB-CB 4.47Å; V282-I347 HydrophobicContact CB-CG2 4.21Å; V282-I347 HydrophobicContact CG2-CB 3.83Å; V282-I347 HydrophobicContact CG2-CG2 3.51Å; V282-I347 WeakPolarHBondContact CG2-O 3.37Å; A285-I347 HydrophobicContact CB-CD1 3.61Å; L343-I347 HydrophobicContact CB-CD1 4.48Å; L343-I347 HydrophobicContact CD2-CD1 3.66Å; L343-I347 VanDerWaalsContact O-CB 3.27Å; L343-I347 WeakPolarHBondContact O-CB 3.46Å; L343-I347 PolarHBondContact O-N 3.29Å; I347-V349 PolarHBondContact O-N 2.83Å |
| 348 | G | 63.8 | Low | 72.6 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | trans | -89.9 | 98.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y344 R350 F351 R352 | Y344-G348 WeakPolarHBondContact O-CA 3.4Å; Y344-G348 PolarHBondContact O-N 3.08Å; G348-R350 VanDerWaalsContact C-N 3.29Å; G348-R350 PolarHBondContact O-N 3.27Å; G348-F351 PolarHBondContact O-N 3.05Å; G348-F351 VanDerWaalsContact O-N 3.14Å; G348-R352 PolarHBondContact O-N 2.99Å; G348-R352 VanDerWaalsContact O-N 3.16Å | ||
| 349 | V | 63.1 | Low | 72 | Confident | 74 Ų | 74 | 63.7 Ų | 63.7 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -54.6 | -42.6 | 177.6 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | K278 I347 F351 R352 E353 | K278-V349 HydrophobicContact CD-CG2 4.01Å; I347-V349 PolarHBondContact O-N 2.83Å; V349-F351 PolarHBondContact O-N 3.06Å; V349-R352 PolarHBondContact O-N 3.46Å; V349-E353 PolarHBondContact O-N 3.45Å; V349-E353 VanDerWaalsContact O-N 3.08Å |
| 350 | R | 63.9 | Low | 71.4 | Confident | 141 Ų | 141 | 68.1 Ų | 68.1 | 53% | 0.532 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -73.8 | -22.2 | -177.5 | -158.7 | -169.7 | 170.1 | -176.3 | -6.7 | 113.8 | R104 G348 | R104-R350 PolarHBondContact NH1-O 3.36Å; G348-R350 VanDerWaalsContact C-N 3.29Å; G348-R350 PolarHBondContact O-N 3.27Å |
| 351 | F | 64.7 | Low | 70.6 | Confident | 13 Ų | 13 | 72.2 Ų | 72.2 | 6% | 0.057 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -80 | -43.5 | 174.5 | -170.5 | -91.5 | 0 | 0 | 0 | 110 | L93 V94 I97 V345 G348 V349 E353 D354 L355 | L93-F351 HydrophobicContact CD2-CE1 4.44Å; L93-F351 HydrophobicContact CD2-CZ 4.5Å; V94-F351 HydrophobicContact CG2-CE2 3.98Å; V94-F351 HydrophobicContact CG2-CZ 3.78Å; I97-F351 HydrophobicContact CD1-CE1 4.07Å; I97-F351 HydrophobicContact CD1-CE2 3.81Å; I97-F351 HydrophobicContact CD1-CZ 3.49Å; I97-F351 VanDerWaalsContact CD1-CZ 3.49Å; V345-F351 HydrophobicContact CB-CD1 4.49Å; V345-F351 HydrophobicContact CG2-CD1 3.61Å; V345-F351 HydrophobicContact CG2-CE1 3.47Å; V345-F351 VanDerWaalsContact CG2-CE1 3.47Å; G348-F351 PolarHBondContact O-N 3.05Å; G348-F351 VanDerWaalsContact O-N 3.14Å; V349-F351 PolarHBondContact O-N 3.06Å; F351-E353 PolarHBondContact O-N 3.37Å; F351-D354 PolarHBondContact O-N 2.82Å; F351-L355 HydrophobicContact CE1-CD1 4.03Å; F351-L355 WeakPolarHBondContact O-CB 3.36Å; F351-L355 PolarHBondContact O-N 3.17Å |
| 352 | R | 72.2 | Confident | 69.7 | Low | 155 Ų | 155 | 76.8 Ų | 76.8 | 59% | 0.585 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -58 | -43.5 | 174.7 | -174.1 | 178.6 | 173.4 | -168 | -1.5 | 112.9 | G348 V349 D354 L355 L356 | G348-R352 PolarHBondContact O-N 2.99Å; G348-R352 VanDerWaalsContact O-N 3.16Å; V349-R352 PolarHBondContact O-N 3.46Å; R352-D354 VanDerWaalsContact C-N 3.34Å; R352-D354 PolarHBondContact O-N 3.42Å; R352-L355 PolarHBondContact O-N 3.2Å; R352-L356 HydrophobicContact CG-CD1 3.97Å; R352-L356 HydrophobicContact CG-CG 4.4Å; R352-L356 WeakPolarHBondContact O-CB 3.45Å; R352-L356 VanDerWaalsContact O-CG 3.26Å; R352-L356 WeakPolarHBondContact O-CG 3.22Å; R352-L356 PolarHBondContact O-N 3.47Å |
| 353 | E | 72.2 | Confident | 68.9 | Low | 91 Ų | 91 | 79.1 Ų | 79.1 | 43% | 0.425 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 177.5 | -78.1 | -179.7 | -160.1 | 0 | 0 | 113.4 | V349 F351 R357 | V349-E353 PolarHBondContact O-N 3.45Å; V349-E353 VanDerWaalsContact O-N 3.08Å; F351-E353 PolarHBondContact O-N 3.37Å; E353-R357 WeakPolarHBondContact O-CG 3.39Å; E353-R357 PolarHBondContact O-N 3.13Å; E353-R357 IonicContact OE2-NH2 2.74Å; E353-R357 PolarHBondContact OE2-NH2 2.9Å |
| 354 | D | 67.9 | Low | 68.1 | Low | 21 Ų | 21 | 83 Ų | 83 | 11% | 0.112 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -73.9 | -38.2 | 179.7 | -76.7 | -1.9 | 0 | 0 | 0 | 111.2 | R104 F351 R352 R357 M358 | R104-D354 WeakPolarHBondContact CD-OD2 3.06Å; R104-D354 IonicContact CZ-OD2 3.96Å; R104-D354 IonicContact NE-OD2 3.32Å; R104-D354 PolarHBondContact NE-OD2 2.79Å; R104-D354 VanDerWaalsContact NE-OD2 3.15Å; R104-D354 IonicContact NH1-OD2 3.74Å; R104-D354 PolarHBondContact NH1-OD2 3.18Å; R104-D354 IonicContact NH2-OD2 2.81Å; F351-D354 PolarHBondContact O-N 2.82Å; R352-D354 VanDerWaalsContact C-N 3.34Å; R352-D354 PolarHBondContact O-N 3.42Å; D354-R357 PolarHBondContact O-N 2.76Å; D354-R357 IonicContact OD1-NE 3.28Å; D354-M358 WeakPolarHBondContact O-CG 3.5Å; D354-M358 PolarHBondContact O-N 2.97Å |
| 355 | L | 74.6 | Confident | 66.8 | Low | 50 Ų | 50 | 84.8 Ų | 84.8 | 26% | 0.262 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 172.4 | -168.6 | 157.1 | 0 | 0 | 0 | 111 | L93 V345 F351 R352 M358 A359 | L93-L355 HydrophobicContact CD2-CD1 3.61Å; L93-L355 HydrophobicContact CD2-CG 4.45Å; V345-L355 HydrophobicContact CG2-CD1 4.19Å; F351-L355 HydrophobicContact CE1-CD1 4.03Å; F351-L355 WeakPolarHBondContact O-CB 3.36Å; F351-L355 PolarHBondContact O-N 3.17Å; R352-L355 PolarHBondContact O-N 3.2Å; L355-M358 PolarHBondContact O-N 2.9Å; L355-A359 WeakPolarHBondContact O-CB 3.23Å; L355-A359 PolarHBondContact O-N 2.95Å |
| 356 | L | 76.8 | Confident | 65.7 | Low | 81 Ų | 81 | 91.3 Ų | 91.3 | 42% | 0.424 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 176.8 | -73.4 | 170.7 | 0 | 0 | 0 | 112.5 | R352 M358 K360 | R352-L356 HydrophobicContact CG-CD1 3.97Å; R352-L356 HydrophobicContact CG-CG 4.4Å; R352-L356 WeakPolarHBondContact O-CB 3.45Å; R352-L356 VanDerWaalsContact O-CG 3.26Å; R352-L356 WeakPolarHBondContact O-CG 3.22Å; R352-L356 PolarHBondContact O-N 3.47Å; L356-M358 VanDerWaalsContact C-N 3.35Å; L356-K360 WeakPolarHBondContact O-CB 3.37Å; L356-K360 VanDerWaalsContact O-CG 3.28Å; L356-K360 WeakPolarHBondContact O-CG 3.38Å; L356-K360 PolarHBondContact O-N 3.19Å |
| 357 | R | 74.6 | Confident | 64.7 | Low | 149 Ų | 149 | 87.9 Ų | 87.9 | 56% | 0.562 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.8 | -42.1 | 173.7 | -79.6 | -177.1 | -123.1 | -140.2 | -2.6 | 111.6 | E353 D354 T361 | E353-R357 WeakPolarHBondContact O-CG 3.39Å; E353-R357 PolarHBondContact O-N 3.13Å; E353-R357 IonicContact OE2-NH2 2.74Å; E353-R357 PolarHBondContact OE2-NH2 2.9Å; D354-R357 PolarHBondContact O-N 2.76Å; D354-R357 IonicContact OD1-NE 3.28Å; R357-T361 PolarHBondContact O-N 3.45Å; R357-T361 VanDerWaalsContact O-N 3.09Å; R357-T361 PolarHBondContact O-OG1 3.33Å |
| 358 | M | 71.3 | Confident | 63.4 | Low | 51 Ų | 51 | 87.9 Ų | 87.9 | 25% | 0.251 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.9 | -45.4 | 177.5 | -71.7 | -63 | 175.1 | 0 | 0 | 112.1 | T100 V101 D354 L355 L356 K360 T361 C362 | T100-M358 HydrophobicContact CG2-CE 4.1Å; V101-M358 HydrophobicContact CG2-CE 3.36Å; D354-M358 WeakPolarHBondContact O-CG 3.5Å; D354-M358 PolarHBondContact O-N 2.97Å; L355-M358 PolarHBondContact O-N 2.9Å; L356-M358 VanDerWaalsContact C-N 3.35Å; M358-K360 VanDerWaalsContact C-N 3.3Å; M358-K360 PolarHBondContact O-N 2.89Å; M358-T361 CarbonylContact O-C 3.42Å; M358-T361 WeakPolarHBondContact O-CA 3.3Å; M358-T361 WeakPolarHBondContact O-CB 3.27Å; M358-T361 PolarHBondContact O-N 3.07Å; M358-C362 PolarHBondContact O-N 2.76Å; M358-C362 PolarHBondContact O-SG 2.89Å |
| 359 | A | 76.3 | Confident | 62.9 | Low | 42 Ų | 42 | 95.7 Ų | 95.7 | 35% | 0.347 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.5 | -43.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L355 T361 C362 V363 | L355-A359 WeakPolarHBondContact O-CB 3.23Å; L355-A359 PolarHBondContact O-N 2.95Å; A359-T361 VanDerWaalsContact C-N 3.3Å; A359-T361 PolarHBondContact O-N 3.24Å; A359-C362 PolarHBondContact O-N 3.06Å; A359-V363 VanDerWaalsContact O-CB 3.3Å; A359-V363 WeakPolarHBondContact O-CB 3.38Å; A359-V363 WeakPolarHBondContact O-CG2 3.23Å; A359-V363 PolarHBondContact O-N 2.99Å |
| 360 | K | 73.2 | Confident | 62 | Low | 151 Ų | 151 | 98.1 Ų | 98.1 | 66% | 0.657 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.9 | -36.9 | 173.2 | -74.1 | 177.6 | -179.2 | -173.7 | 0 | 112.6 | L356 M358 V364 | L356-K360 WeakPolarHBondContact O-CB 3.37Å; L356-K360 VanDerWaalsContact O-CG 3.28Å; L356-K360 WeakPolarHBondContact O-CG 3.38Å; L356-K360 PolarHBondContact O-N 3.19Å; M358-K360 VanDerWaalsContact C-N 3.3Å; M358-K360 PolarHBondContact O-N 2.89Å; K360-V364 VanDerWaalsContact O-CB 3.23Å; K360-V364 WeakPolarHBondContact O-CB 3.49Å; K360-V364 WeakPolarHBondContact O-CG2 3.14Å; K360-V364 PolarHBondContact O-N 3.2Å; K360-V364 VanDerWaalsContact O-N 3.13Å |
| 361 | T | 64.7 | Low | 60.8 | Low | 87 Ų | 87 | 100.4 Ų | 100.4 | 53% | 0.534 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.2 | -37 | 179.3 | -50.1 | 0 | 0 | 0 | 0 | 111.8 | R357 M358 A359 | R357-T361 PolarHBondContact O-N 3.45Å; R357-T361 VanDerWaalsContact O-N 3.09Å; R357-T361 PolarHBondContact O-OG1 3.33Å; M358-T361 CarbonylContact O-C 3.42Å; M358-T361 WeakPolarHBondContact O-CA 3.3Å; M358-T361 WeakPolarHBondContact O-CB 3.27Å; M358-T361 PolarHBondContact O-N 3.07Å; A359-T361 VanDerWaalsContact C-N 3.3Å; A359-T361 PolarHBondContact O-N 3.24Å |
| 362 | C | 62 | Low | 59.9 | Low | 103 Ų | 103 | 106 Ų | 106 | 70% | 0.696 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -72 | -41.4 | 175.3 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | M358 A359 G365 | M358-C362 PolarHBondContact O-N 2.76Å; M358-C362 PolarHBondContact O-SG 2.89Å; A359-C362 PolarHBondContact O-N 3.06Å; C362-G365 PolarHBondContact O-N 3.27Å |
| 363 | V | 61.2 | Low | 57.9 | Low | 125 Ų | 125 | 107.3 Ų | 107.3 | 76% | 0.758 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.3 | -29.9 | 179.5 | 172 | 0 | 0 | 0 | 0 | 112.1 | A359 G365 | A359-V363 VanDerWaalsContact O-CB 3.3Å; A359-V363 WeakPolarHBondContact O-CB 3.38Å; A359-V363 WeakPolarHBondContact O-CG2 3.23Å; A359-V363 PolarHBondContact O-N 2.99Å; V363-G365 PolarHBondContact O-N 3.06Å |
| 364 | V | 57.8 | Low | 56.4 | Low | 108 Ų | 108 | 107.1 Ų | 107.1 | 66% | 0.655 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 5.2 | 179.9 | 175.8 | 0 | 0 | 0 | 0 | 112.9 | K360 K366 | K360-V364 VanDerWaalsContact O-CB 3.23Å; K360-V364 WeakPolarHBondContact O-CB 3.49Å; K360-V364 WeakPolarHBondContact O-CG2 3.14Å; K360-V364 PolarHBondContact O-N 3.2Å; K360-V364 VanDerWaalsContact O-N 3.13Å; V364-K366 PolarHBondContact O-N 3.24Å |
| 365 | G | 46.9 | Very low | 55.2 | Low | 63 Ų | 63 | 112 Ų | 112 | 65% | 0.649 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.5 | 36.4 | 162.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | C362 V363 G367 | C362-G365 PolarHBondContact O-N 3.27Å; V363-G365 PolarHBondContact O-N 3.06Å; G365-G367 PolarHBondContact O-N 3.14Å |
| 366 | K | 44.7 | Very low | 53.3 | Low | 179 Ų | 179 | 115.4 Ų | 115.4 | 78% | 0.778 | 68% | 0.679 | S | S | * | * | trans | -91.9 | 87.4 | 165 | -80.2 | -170.8 | 174.7 | -179.1 | 0 | 109.9 | V364 G368 | V364-K366 PolarHBondContact O-N 3.24Å; K366-G368 PolarHBondContact O-N 3.07Å | ||
| 367 | G | 42 | Very low | 51.3 | Low | 92 Ų | 92 | 121.3 Ų | 121.3 | 95% | 0.948 | 70% | 0.701 | S | S | * | * | trans | -66.7 | 58.9 | 164 | 0 | 0 | 0 | 0 | 0 | 112.3 | G365 | G365-G367 PolarHBondContact O-N 3.14Š| ||
| 368 | G | 37.1 | Very low | 49.4 | Very low | 56 Ų | 56 | 125.6 Ų | 125.6 | 58% | 0.577 | 72% | 0.717 | S | S | * | * | trans | -136.2 | 105.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110 | K366 V370 | K366-G368 PolarHBondContact O-N 3.07Å; G368-V370 PolarHBondContact O-N 3.37Å; G368-V370 VanDerWaalsContact O-N 3.09Å | ||
| 369 | L | 53.4 | Low | 47.6 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 93% | 0.927 | 74% | 0.74 | S | S | * | * | trans | -52.9 | 110.8 | 156.8 | -169.7 | 98.3 | 0 | 0 | 0 | 107 | ||||
| 370 | V | 44.1 | Very low | 45.8 | Very low | 126 Ų | 126 | 132.2 Ų | 132.2 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | trans | 175.6 | 135.6 | 150.8 | 151.2 | 0 | 0 | 0 | 0 | 113.3 | G368 | G368-V370 PolarHBondContact O-N 3.37Å; G368-V370 VanDerWaalsContact O-N 3.09Å | ||
| 371 | K | 40.2 | Very low | 43.8 | Very low | 188 Ų | 188 | 133.1 Ų | 133.1 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | 36.2 | 99.2 | 160.2 | -76 | 175.9 | 174.8 | 171.2 | 0 | 118.2 | Q373 | K371-Q373 PolarHBondContact O-N 3.44Å; K371-Q373 VanDerWaalsContact O-N 3.12Å | ||
| 372 | V | 43.9 | Very low | 42.3 | Very low | 130 Ų | 130 | 137.4 Ų | 137.4 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | trans | -65.6 | 109.1 | 150.7 | 178.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 373 | Q | 31.8 | Very low | 40.7 | Very low | 183 Ų | 183 | 137.2 Ų | 137.2 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -61.4 | 135.9 | 177.7 | -165 | 151.7 | -1.7 | 0 | 0 | 110.6 | K371 | K371-Q373 PolarHBondContact O-N 3.44Å; K371-Q373 VanDerWaalsContact O-N 3.12Å | ||
| 374 | A | 40.3 | Very low | 39.2 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | trans | -58.9 | 141.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 375 | V | 41.7 | Very low | 37.9 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 76% | 0.758 | 79% | 0.792 | S | S | * | * | trans | -41 | 132.2 | 165.3 | 176.8 | 0 | 0 | 0 | 0 | 109.4 | K377 | V375-K377 PolarHBondContact O-N 3.27Š| ||
| 376 | P | 34.4 | Very low | 37.2 | Very low | 121 Ų | 121 | 143.4 Ų | 143.4 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 124.8 | 179.5 | -17.9 | 29 | 0 | 0 | 0 | 110 | R378 | P376-R378 PolarHBondContact O-N 3.28Š|
| 377 | K | 35.8 | Very low | 36.5 | Very low | 205 Ų | 205 | 141.7 Ų | 141.7 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 119 | 161.1 | -80.7 | -178.9 | 175.7 | 179.9 | 0 | 107.1 | V375 | V375-K377 PolarHBondContact O-N 3.27Š|
| 378 | R | 33.9 | Very low | 36.1 | Very low | 238 Ų | 238 | 144.2 Ų | 144.2 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 136.5 | 167.4 | -158.3 | 179.3 | -144.7 | -176.9 | 4.3 | 108.5 | P376 | P376-R378 PolarHBondContact O-N 3.28Š|
| 379 | P | 34.4 | Very low | 36.6 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 139 | 176.6 | -15.1 | 28.4 | 0 | 0 | 0 | 110.6 | I381 | P379-I381 PolarHBondContact O-N 3.44Š|
| 380 | S | 37.4 | Very low | 35.3 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -64.2 | 115 | 169.3 | 47 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 381 | I | 32.2 | Very low | 34.6 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -118.9 | 122.1 | 151.6 | -65.7 | 178.6 | 0 | 0 | 0 | 105.9 | P379 | P379-I381 PolarHBondContact O-N 3.44Š| ||
| 382 | M | 32.9 | Very low | 33.8 | Very low | 177 Ų | 177 | 138.7 Ų | 138.7 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | trans | -94.2 | 122 | -174.8 | 178.7 | 168 | 78.2 | 0 | 0 | 108.4 | ||||
| 383 | S | 28.5 | Very low | 33.2 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -173.5 | 109.7 | 136.2 | -167.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 384 | D | 30.7 | Very low | 33.3 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 50.9 | 114.4 | 138.2 | -49.2 | -45.9 | 0 | 0 | 0 | 122.5 | ||||
| 385 | T | 30.6 | Very low | 32.9 | Very low | 121 Ų | 121 | 140.8 Ų | 140.8 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | 135.3 | 113.1 | 117.4 | -40.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 386 | E | 32.1 | Very low | 32.5 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 37.2 | 102.1 | 153.8 | -60.4 | -171.3 | 132.8 | 0 | 0 | 119.9 | ||||
| 387 | T | 29.4 | Very low | 32.3 | Very low | 143 Ų | 143 | 142.9 Ų | 142.9 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | 175.6 | 101.8 | 112.6 | 25.4 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 388 | T | 33.2 | Very low | 32.1 | Very low | 145 Ų | 145 | 139 Ų | 139 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | trans | -83.4 | 147.8 | -177 | -43.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 389 | P | 47.5 | Very low | 32 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -113.2 | 164.1 | -148.4 | 41.5 | -31 | 0 | 0 | 0 | 112.3 | ||||
| 390 | A | 27.3 | Very low | 31.8 | Very low | 63 Ų | 63 | 133.6 Ų | 133.6 | 52% | 0.521 | 78% | 0.78 | S | S | . | * | trans | -164.8 | 112 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 391 | L | 29.1 | Very low | 31.4 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 71% | 0.707 | 78% | 0.777 | S | S | * | * | trans | 168.4 | 100.5 | 131.3 | -113 | 77.4 | 0 | 0 | 0 | 110.1 | V177 | V177-L391 HydrophobicContact CG1-CD1 4.34Š| ||
| 392 | S | 23.2 | Very low | 31.3 | Very low | 121 Ų | 121 | 132 Ų | 132 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | trans | -153.9 | 83.7 | 152.5 | 43.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 393 | I | 31.8 | Very low | 31.2 | Very low | 162 Ų | 162 | 127.9 Ų | 127.9 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | trans | -140.4 | 0 | 155.5 | -62.1 | -173.2 | 0 | 0 | 0 | 107.8 |
Retrieved 393 of 393 residues in 402.3 ms
(Link to these results)